USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 33 LYS NZ :NH3+ -141:sc= 1.1 (180deg=-0.118) USER MOD Set 1.2: B 44 TYR OH : rot -165:sc= 0.971 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -152:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 16:sc= 2.22 USER MOD Set 3.1: A 40 THR OG1 : rot -113:sc= 0.82 USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.724 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0996 X(o=-0.1,f=-0.28) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 19:sc= 0.0728 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.526 USER MOD Single : A 29 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0443) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.216 X(o=0.22,f=0) USER MOD Single : B 1 SER N :NH3+ 158:sc= 0.0158 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0.0153 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.263) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 13 GLN : amide:sc= -0.0894 X(o=-0.089,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 18:sc= 0.357 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0.299 USER MOD Single : B 29 THR OG1 : rot 77:sc= 0.306 USER MOD Single : B 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0835) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0.0113 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : B 51 ASN : amide:sc= 0.0268 X(o=0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 23.865 -13.883 7.866 1.00 0.00 N ATOM 2 CA SER A 1 24.960 -13.534 6.950 1.00 0.00 C ATOM 3 C SER A 1 24.580 -14.036 5.575 1.00 0.00 C ATOM 4 O SER A 1 24.324 -15.226 5.403 1.00 0.00 O ATOM 5 CB SER A 1 26.296 -14.124 7.403 1.00 0.00 C ATOM 6 OG SER A 1 26.756 -13.454 8.560 1.00 0.00 O ATOM 0 H1 SER A 1 24.095 -13.551 8.824 1.00 0.00 H new ATOM 0 H2 SER A 1 22.986 -13.430 7.544 1.00 0.00 H new ATOM 0 H3 SER A 1 23.738 -14.915 7.878 1.00 0.00 H new ATOM 0 HA SER A 1 25.099 -12.453 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 1 26.181 -15.188 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 1 27.032 -14.033 6.604 1.00 0.00 H new ATOM 0 HG SER A 1 27.611 -13.840 8.843 1.00 0.00 H new ATOM 12 N ASP A 2 24.523 -13.132 4.605 1.00 0.00 N ATOM 13 CA ASP A 2 24.133 -13.448 3.234 1.00 0.00 C ATOM 14 C ASP A 2 25.217 -14.249 2.504 1.00 0.00 C ATOM 15 O ASP A 2 26.309 -14.465 3.044 1.00 0.00 O ATOM 16 CB ASP A 2 23.785 -12.136 2.522 1.00 0.00 C ATOM 17 CG ASP A 2 22.745 -11.325 3.300 1.00 0.00 C ATOM 18 OD1 ASP A 2 21.743 -11.890 3.796 1.00 0.00 O ATOM 19 OD2 ASP A 2 23.019 -10.130 3.566 1.00 0.00 O ATOM 0 H ASP A 2 24.748 -12.148 4.748 1.00 0.00 H new ATOM 0 HA ASP A 2 23.255 -14.094 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 2 24.689 -11.541 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 2 23.404 -12.354 1.524 1.00 0.00 H new ATOM 24 N SER A 3 24.945 -14.701 1.280 1.00 0.00 N ATOM 25 CA SER A 3 25.859 -15.481 0.448 1.00 0.00 C ATOM 26 C SER A 3 25.843 -14.966 -0.991 1.00 0.00 C ATOM 27 O SER A 3 25.044 -14.088 -1.328 1.00 0.00 O ATOM 28 CB SER A 3 25.469 -16.970 0.500 1.00 0.00 C ATOM 29 OG SER A 3 24.088 -17.177 0.249 1.00 0.00 O ATOM 0 H SER A 3 24.049 -14.527 0.825 1.00 0.00 H new ATOM 0 HA SER A 3 26.873 -15.371 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.056 -17.522 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.722 -17.375 1.480 1.00 0.00 H new ATOM 0 HG SER A 3 23.888 -18.135 0.291 1.00 0.00 H new ATOM 35 N ALA A 4 26.762 -15.474 -1.820 1.00 0.00 N ATOM 36 CA ALA A 4 26.861 -15.118 -3.225 1.00 0.00 C ATOM 37 C ALA A 4 25.655 -15.773 -3.899 1.00 0.00 C ATOM 38 O ALA A 4 25.647 -16.982 -4.119 1.00 0.00 O ATOM 39 CB ALA A 4 28.191 -15.611 -3.810 1.00 0.00 C ATOM 0 H ALA A 4 27.463 -16.152 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 4 26.850 -14.039 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.249 -15.336 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.019 -15.152 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.251 -16.695 -3.714 1.00 0.00 H new ATOM 45 N VAL A 5 24.630 -14.980 -4.190 1.00 0.00 N ATOM 46 CA VAL A 5 23.386 -15.422 -4.809 1.00 0.00 C ATOM 47 C VAL A 5 23.134 -14.637 -6.100 1.00 0.00 C ATOM 48 O VAL A 5 22.615 -15.190 -7.073 1.00 0.00 O ATOM 49 CB VAL A 5 22.272 -15.332 -3.740 1.00 0.00 C ATOM 50 CG1 VAL A 5 22.004 -13.915 -3.217 1.00 0.00 C ATOM 51 CG2 VAL A 5 20.944 -15.915 -4.226 1.00 0.00 C ATOM 0 H VAL A 5 24.643 -13.979 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 5 23.424 -16.462 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 5 22.669 -15.928 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 5 21.209 -13.946 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 5 22.911 -13.517 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 5 21.701 -13.273 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 5 20.197 -15.826 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 5 20.608 -15.369 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 5 21.080 -16.966 -4.481 1.00 0.00 H new ATOM 61 N ARG A 6 23.485 -13.349 -6.111 1.00 0.00 N ATOM 62 CA ARG A 6 23.350 -12.442 -7.245 1.00 0.00 C ATOM 63 C ARG A 6 24.614 -12.604 -8.095 1.00 0.00 C ATOM 64 O ARG A 6 25.632 -13.093 -7.605 1.00 0.00 O ATOM 65 CB ARG A 6 23.176 -10.989 -6.742 1.00 0.00 C ATOM 66 CG ARG A 6 22.063 -10.844 -5.679 1.00 0.00 C ATOM 67 CD ARG A 6 21.865 -9.455 -5.072 1.00 0.00 C ATOM 68 NE ARG A 6 21.397 -8.452 -6.038 1.00 0.00 N ATOM 69 CZ ARG A 6 22.149 -7.472 -6.554 1.00 0.00 C ATOM 70 NH1 ARG A 6 23.468 -7.443 -6.356 1.00 0.00 N ATOM 71 NH2 ARG A 6 21.576 -6.519 -7.277 1.00 0.00 N ATOM 0 H ARG A 6 23.888 -12.893 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 6 22.469 -12.673 -7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 6 24.119 -10.641 -6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 6 22.947 -10.343 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 6 21.121 -11.155 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 6 22.274 -11.542 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 6 21.146 -9.524 -4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 6 22.807 -9.119 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 6 20.424 -8.507 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 6 23.917 -8.174 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 6 24.027 -6.690 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.569 -6.536 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 6 22.143 -5.769 -7.673 1.00 0.00 H new ATOM 85 N LYS A 7 24.587 -12.195 -9.366 1.00 0.00 N ATOM 86 CA LYS A 7 25.740 -12.308 -10.262 1.00 0.00 C ATOM 87 C LYS A 7 25.987 -10.958 -10.925 1.00 0.00 C ATOM 88 O LYS A 7 26.708 -10.148 -10.343 1.00 0.00 O ATOM 89 CB LYS A 7 25.559 -13.495 -11.234 1.00 0.00 C ATOM 90 CG LYS A 7 26.001 -14.838 -10.620 1.00 0.00 C ATOM 91 CD LYS A 7 25.382 -16.059 -11.317 1.00 0.00 C ATOM 92 CE LYS A 7 25.689 -16.131 -12.821 1.00 0.00 C ATOM 93 NZ LYS A 7 24.719 -16.984 -13.545 1.00 0.00 N ATOM 0 H LYS A 7 23.766 -11.776 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 7 26.648 -12.546 -9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 7 24.512 -13.562 -11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 7 26.134 -13.308 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 7 27.087 -14.912 -10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 7 25.729 -14.854 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 7 25.749 -16.966 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 7 24.301 -16.038 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 7 25.673 -15.126 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 7 26.696 -16.522 -12.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 24.962 -17.005 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 24.751 -17.950 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 23.761 -16.597 -13.428 1.00 0.00 H new ATOM 107 N LYS A 8 25.421 -10.719 -12.112 1.00 0.00 N ATOM 108 CA LYS A 8 25.575 -9.481 -12.872 1.00 0.00 C ATOM 109 C LYS A 8 24.226 -9.025 -13.428 1.00 0.00 C ATOM 110 O LYS A 8 23.691 -9.675 -14.331 1.00 0.00 O ATOM 111 CB LYS A 8 26.682 -9.630 -13.942 1.00 0.00 C ATOM 112 CG LYS A 8 26.465 -10.721 -15.012 1.00 0.00 C ATOM 113 CD LYS A 8 27.656 -10.829 -15.977 1.00 0.00 C ATOM 114 CE LYS A 8 27.333 -11.791 -17.131 1.00 0.00 C ATOM 115 NZ LYS A 8 26.511 -11.162 -18.185 1.00 0.00 N ATOM 0 H LYS A 8 24.827 -11.403 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 8 25.912 -8.683 -12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.796 -8.672 -14.450 1.00 0.00 H new ATOM 0 HB3 LYS A 8 27.623 -9.835 -13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 8 26.307 -11.682 -14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.560 -10.499 -15.577 1.00 0.00 H new ATOM 0 HD2 LYS A 8 27.899 -9.844 -16.375 1.00 0.00 H new ATOM 0 HD3 LYS A 8 28.536 -11.181 -15.439 1.00 0.00 H new ATOM 0 HE2 LYS A 8 28.264 -12.152 -17.569 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.808 -12.661 -16.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 26.323 -11.854 -18.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.610 -10.841 -17.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.021 -10.348 -18.583 1.00 0.00 H new ATOM 129 N SER A 9 23.629 -7.982 -12.853 1.00 0.00 N ATOM 130 CA SER A 9 22.354 -7.422 -13.291 1.00 0.00 C ATOM 131 C SER A 9 22.401 -5.912 -13.094 1.00 0.00 C ATOM 132 O SER A 9 22.802 -5.434 -12.034 1.00 0.00 O ATOM 133 CB SER A 9 21.195 -8.050 -12.516 1.00 0.00 C ATOM 134 OG SER A 9 21.090 -9.416 -12.883 1.00 0.00 O ATOM 0 H SER A 9 24.028 -7.493 -12.052 1.00 0.00 H new ATOM 0 HA SER A 9 22.189 -7.644 -14.345 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.364 -7.959 -11.443 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.265 -7.527 -12.737 1.00 0.00 H new ATOM 0 HG SER A 9 20.351 -9.831 -12.391 1.00 0.00 H new ATOM 140 N GLU A 10 22.016 -5.154 -14.118 1.00 0.00 N ATOM 141 CA GLU A 10 22.018 -3.699 -14.092 1.00 0.00 C ATOM 142 C GLU A 10 20.629 -3.212 -13.683 1.00 0.00 C ATOM 143 O GLU A 10 19.802 -2.887 -14.538 1.00 0.00 O ATOM 144 CB GLU A 10 22.434 -3.154 -15.463 1.00 0.00 C ATOM 145 CG GLU A 10 23.846 -3.571 -15.874 1.00 0.00 C ATOM 146 CD GLU A 10 24.137 -3.089 -17.287 1.00 0.00 C ATOM 147 OE1 GLU A 10 24.553 -1.916 -17.453 1.00 0.00 O ATOM 148 OE2 GLU A 10 23.943 -3.889 -18.227 1.00 0.00 O ATOM 0 H GLU A 10 21.689 -5.543 -15.002 1.00 0.00 H new ATOM 0 HA GLU A 10 22.741 -3.331 -13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.726 -3.502 -16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.374 -2.066 -15.448 1.00 0.00 H new ATOM 0 HG2 GLU A 10 24.575 -3.152 -15.180 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.944 -4.655 -15.823 1.00 0.00 H new ATOM 155 N VAL A 11 20.353 -3.208 -12.382 1.00 0.00 N ATOM 156 CA VAL A 11 19.087 -2.765 -11.814 1.00 0.00 C ATOM 157 C VAL A 11 19.438 -1.946 -10.574 1.00 0.00 C ATOM 158 O VAL A 11 20.202 -2.414 -9.724 1.00 0.00 O ATOM 159 CB VAL A 11 18.186 -3.973 -11.479 1.00 0.00 C ATOM 160 CG1 VAL A 11 16.877 -3.499 -10.841 1.00 0.00 C ATOM 161 CG2 VAL A 11 17.851 -4.830 -12.707 1.00 0.00 C ATOM 0 H VAL A 11 21.021 -3.521 -11.678 1.00 0.00 H new ATOM 0 HA VAL A 11 18.519 -2.158 -12.519 1.00 0.00 H new ATOM 0 HB VAL A 11 18.753 -4.591 -10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.252 -4.361 -10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.096 -2.954 -9.923 1.00 0.00 H new ATOM 0 HG13 VAL A 11 16.350 -2.844 -11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 11 17.215 -5.663 -12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 11 17.327 -4.221 -13.444 1.00 0.00 H new ATOM 0 HG23 VAL A 11 18.772 -5.216 -13.144 1.00 0.00 H new ATOM 171 N ARG A 12 18.883 -0.741 -10.449 1.00 0.00 N ATOM 172 CA ARG A 12 19.114 0.168 -9.330 1.00 0.00 C ATOM 173 C ARG A 12 17.764 0.656 -8.816 1.00 0.00 C ATOM 174 O ARG A 12 17.252 1.682 -9.265 1.00 0.00 O ATOM 175 CB ARG A 12 20.087 1.292 -9.737 1.00 0.00 C ATOM 176 CG ARG A 12 19.830 1.927 -11.116 1.00 0.00 C ATOM 177 CD ARG A 12 20.712 3.157 -11.315 1.00 0.00 C ATOM 178 NE ARG A 12 20.535 3.747 -12.651 1.00 0.00 N ATOM 179 CZ ARG A 12 21.134 4.872 -13.054 1.00 0.00 C ATOM 180 NH1 ARG A 12 22.112 5.397 -12.321 1.00 0.00 N ATOM 181 NH2 ARG A 12 20.742 5.518 -14.147 1.00 0.00 N ATOM 0 H ARG A 12 18.242 -0.360 -11.145 1.00 0.00 H new ATOM 0 HA ARG A 12 19.606 -0.342 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.044 2.077 -8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.101 0.893 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.031 1.198 -11.901 1.00 0.00 H new ATOM 0 HG3 ARG A 12 18.780 2.208 -11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 12 20.474 3.901 -10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 12 21.757 2.881 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 12 19.919 3.269 -13.309 1.00 0.00 H new ATOM 0 HH11 ARG A 12 22.402 4.941 -11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 12 22.572 6.255 -12.624 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.966 5.157 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 12 21.217 6.375 -14.431 1.00 0.00 H new ATOM 195 N GLN A 13 17.158 -0.113 -7.913 1.00 0.00 N ATOM 196 CA GLN A 13 15.863 0.169 -7.307 1.00 0.00 C ATOM 197 C GLN A 13 15.978 0.121 -5.793 1.00 0.00 C ATOM 198 O GLN A 13 16.090 -0.942 -5.184 1.00 0.00 O ATOM 199 CB GLN A 13 14.771 -0.780 -7.850 1.00 0.00 C ATOM 200 CG GLN A 13 15.062 -2.279 -7.595 1.00 0.00 C ATOM 201 CD GLN A 13 14.342 -3.267 -8.507 1.00 0.00 C ATOM 202 OE1 GLN A 13 13.404 -2.947 -9.231 1.00 0.00 O ATOM 203 NE2 GLN A 13 14.756 -4.519 -8.467 1.00 0.00 N ATOM 0 H GLN A 13 17.573 -0.981 -7.573 1.00 0.00 H new ATOM 0 HA GLN A 13 15.553 1.177 -7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.817 -0.521 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.663 -0.618 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.135 -2.442 -7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.797 -2.509 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.536 -4.779 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.296 -5.227 -9.040 1.00 0.00 H new ATOM 212 N LYS A 14 15.989 1.289 -5.163 1.00 0.00 N ATOM 213 CA LYS A 14 16.061 1.404 -3.712 1.00 0.00 C ATOM 214 C LYS A 14 14.662 1.625 -3.136 1.00 0.00 C ATOM 215 O LYS A 14 14.514 2.308 -2.121 1.00 0.00 O ATOM 216 CB LYS A 14 17.072 2.480 -3.330 1.00 0.00 C ATOM 217 CG LYS A 14 16.620 3.909 -3.685 1.00 0.00 C ATOM 218 CD LYS A 14 17.763 4.904 -3.519 1.00 0.00 C ATOM 219 CE LYS A 14 18.403 4.702 -2.136 1.00 0.00 C ATOM 220 NZ LYS A 14 19.142 5.870 -1.637 1.00 0.00 N ATOM 0 H LYS A 14 15.948 2.186 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 14 16.424 0.476 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 14 17.261 2.424 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 14 18.017 2.272 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.258 3.934 -4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.786 4.199 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.506 4.758 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.392 5.924 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.621 4.448 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.081 3.850 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.542 5.654 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.911 6.102 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.496 6.682 -1.558 1.00 0.00 H new ATOM 234 N THR A 15 13.637 1.143 -3.827 1.00 0.00 N ATOM 235 CA THR A 15 12.264 1.255 -3.418 1.00 0.00 C ATOM 236 C THR A 15 11.465 0.208 -4.177 1.00 0.00 C ATOM 237 O THR A 15 11.848 -0.235 -5.262 1.00 0.00 O ATOM 238 CB THR A 15 11.741 2.674 -3.728 1.00 0.00 C ATOM 239 OG1 THR A 15 10.492 2.921 -3.113 1.00 0.00 O ATOM 240 CG2 THR A 15 11.548 2.936 -5.227 1.00 0.00 C ATOM 0 H THR A 15 13.754 0.650 -4.713 1.00 0.00 H new ATOM 0 HA THR A 15 12.165 1.089 -2.345 1.00 0.00 H new ATOM 0 HB THR A 15 12.513 3.335 -3.335 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.353 2.280 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.179 3.951 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.501 2.818 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.827 2.225 -5.631 1.00 0.00 H new ATOM 248 N VAL A 16 10.310 -0.096 -3.613 1.00 0.00 N ATOM 249 CA VAL A 16 9.327 -1.017 -4.126 1.00 0.00 C ATOM 250 C VAL A 16 8.314 -0.132 -4.843 1.00 0.00 C ATOM 251 O VAL A 16 8.165 1.047 -4.499 1.00 0.00 O ATOM 252 CB VAL A 16 8.680 -1.722 -2.925 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.536 -2.673 -3.289 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.718 -2.519 -2.143 1.00 0.00 C ATOM 0 H VAL A 16 10.021 0.323 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 16 9.731 -1.778 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 16 8.260 -0.913 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.138 -3.127 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.746 -2.116 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.909 -3.454 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.238 -3.010 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.165 -3.271 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.495 -1.846 -1.779 1.00 0.00 H new ATOM 264 N VAL A 17 7.607 -0.686 -5.819 1.00 0.00 N ATOM 265 CA VAL A 17 6.589 0.015 -6.574 1.00 0.00 C ATOM 266 C VAL A 17 5.500 -1.020 -6.855 1.00 0.00 C ATOM 267 O VAL A 17 5.671 -1.935 -7.657 1.00 0.00 O ATOM 268 CB VAL A 17 7.206 0.736 -7.794 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.684 -0.209 -8.896 1.00 0.00 C ATOM 270 CG2 VAL A 17 6.233 1.764 -8.384 1.00 0.00 C ATOM 0 H VAL A 17 7.731 -1.656 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 17 6.125 0.842 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 17 8.089 1.244 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.104 0.372 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.447 -0.877 -8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.842 -0.797 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.696 2.254 -9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.321 1.260 -8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.989 2.510 -7.628 1.00 0.00 H new ATOM 280 N ARG A 18 4.413 -0.964 -6.095 1.00 0.00 N ATOM 281 CA ARG A 18 3.279 -1.880 -6.253 1.00 0.00 C ATOM 282 C ARG A 18 2.004 -1.097 -5.971 1.00 0.00 C ATOM 283 O ARG A 18 2.062 0.067 -5.565 1.00 0.00 O ATOM 284 CB ARG A 18 3.448 -3.148 -5.377 1.00 0.00 C ATOM 285 CG ARG A 18 2.447 -4.282 -5.684 1.00 0.00 C ATOM 286 CD ARG A 18 2.760 -5.610 -4.992 1.00 0.00 C ATOM 287 NE ARG A 18 3.777 -6.396 -5.710 1.00 0.00 N ATOM 288 CZ ARG A 18 3.693 -7.688 -6.059 1.00 0.00 C ATOM 289 NH1 ARG A 18 2.660 -8.437 -5.693 1.00 0.00 N ATOM 290 NH2 ARG A 18 4.657 -8.234 -6.783 1.00 0.00 N ATOM 0 H ARG A 18 4.288 -0.281 -5.348 1.00 0.00 H new ATOM 0 HA ARG A 18 3.226 -2.262 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.460 -3.530 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.346 -2.865 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.449 -3.959 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.422 -4.445 -6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.107 -5.414 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.845 -6.196 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 18 4.634 -5.907 -5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.909 -8.032 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.618 -9.418 -5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.458 -7.673 -7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.599 -9.216 -7.052 1.00 0.00 H new ATOM 304 N THR A 19 0.871 -1.732 -6.214 1.00 0.00 N ATOM 305 CA THR A 19 -0.472 -1.222 -6.043 1.00 0.00 C ATOM 306 C THR A 19 -1.194 -2.144 -5.071 1.00 0.00 C ATOM 307 O THR A 19 -1.060 -3.365 -5.189 1.00 0.00 O ATOM 308 CB THR A 19 -1.204 -1.213 -7.406 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.432 -1.808 -8.442 1.00 0.00 O ATOM 310 CG2 THR A 19 -1.618 0.193 -7.825 1.00 0.00 C ATOM 0 H THR A 19 0.869 -2.691 -6.563 1.00 0.00 H new ATOM 0 HA THR A 19 -0.451 -0.203 -5.657 1.00 0.00 H new ATOM 0 HB THR A 19 -2.101 -1.814 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.936 -1.781 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.128 0.150 -8.787 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.290 0.613 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.732 0.823 -7.911 1.00 0.00 H new ATOM 318 N LEU A 20 -1.944 -1.581 -4.128 1.00 0.00 N ATOM 319 CA LEU A 20 -2.720 -2.327 -3.144 1.00 0.00 C ATOM 320 C LEU A 20 -4.178 -1.926 -3.313 1.00 0.00 C ATOM 321 O LEU A 20 -4.493 -1.019 -4.092 1.00 0.00 O ATOM 322 CB LEU A 20 -2.237 -2.084 -1.703 1.00 0.00 C ATOM 323 CG LEU A 20 -0.860 -2.686 -1.376 1.00 0.00 C ATOM 324 CD1 LEU A 20 -0.499 -2.342 0.069 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.815 -4.212 -1.524 1.00 0.00 C ATOM 0 H LEU A 20 -2.031 -0.570 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.591 -3.396 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.201 -1.010 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.972 -2.498 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.154 -2.262 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.476 -2.765 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.465 -1.259 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.251 -2.757 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.184 -4.572 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.540 -4.665 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.057 -4.485 -2.551 1.00 0.00 H new ATOM 337 N ARG A 21 -5.067 -2.638 -2.633 1.00 0.00 N ATOM 338 CA ARG A 21 -6.501 -2.414 -2.650 1.00 0.00 C ATOM 339 C ARG A 21 -6.978 -2.325 -1.212 1.00 0.00 C ATOM 340 O ARG A 21 -6.383 -2.959 -0.335 1.00 0.00 O ATOM 341 CB ARG A 21 -7.216 -3.578 -3.342 1.00 0.00 C ATOM 342 CG ARG A 21 -7.012 -3.714 -4.857 1.00 0.00 C ATOM 343 CD ARG A 21 -7.801 -2.691 -5.683 1.00 0.00 C ATOM 344 NE ARG A 21 -8.259 -3.258 -6.964 1.00 0.00 N ATOM 345 CZ ARG A 21 -7.638 -3.215 -8.147 1.00 0.00 C ATOM 346 NH1 ARG A 21 -6.420 -2.703 -8.267 1.00 0.00 N ATOM 347 NH2 ARG A 21 -8.250 -3.704 -9.217 1.00 0.00 N ATOM 0 H ARG A 21 -4.795 -3.416 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.723 -1.496 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.890 -4.505 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.285 -3.482 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.951 -3.608 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.304 -4.718 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.662 -2.347 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.176 -1.819 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.157 -3.741 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.939 -2.332 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.964 -2.680 -9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.183 -4.107 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.787 -3.677 -10.126 1.00 0.00 H new ATOM 361 N PHE A 22 -8.049 -1.577 -0.984 1.00 0.00 N ATOM 362 CA PHE A 22 -8.653 -1.382 0.327 1.00 0.00 C ATOM 363 C PHE A 22 -10.143 -1.210 0.092 1.00 0.00 C ATOM 364 O PHE A 22 -10.504 -0.590 -0.908 1.00 0.00 O ATOM 365 CB PHE A 22 -8.059 -0.140 1.013 1.00 0.00 C ATOM 366 CG PHE A 22 -6.571 -0.244 1.304 1.00 0.00 C ATOM 367 CD1 PHE A 22 -6.125 -0.825 2.507 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.626 0.225 0.368 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.748 -0.930 2.772 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.248 0.091 0.622 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.809 -0.483 1.827 1.00 0.00 C ATOM 0 H PHE A 22 -8.535 -1.075 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.458 -2.230 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.235 0.730 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.590 0.034 1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.842 -1.191 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.961 0.689 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.411 -1.356 3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.529 0.429 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.752 -0.580 2.026 1.00 0.00 H new ATOM 381 N SER A 23 -10.978 -1.777 0.962 1.00 0.00 N ATOM 382 CA SER A 23 -12.436 -1.691 0.880 1.00 0.00 C ATOM 383 C SER A 23 -12.863 -0.237 1.179 1.00 0.00 C ATOM 384 O SER A 23 -12.011 0.555 1.597 1.00 0.00 O ATOM 385 CB SER A 23 -13.035 -2.703 1.876 1.00 0.00 C ATOM 386 OG SER A 23 -12.290 -3.911 1.918 1.00 0.00 O ATOM 0 H SER A 23 -10.653 -2.321 1.761 1.00 0.00 H new ATOM 0 HA SER A 23 -12.804 -1.942 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.063 -2.259 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.065 -2.922 1.595 1.00 0.00 H new ATOM 0 HG SER A 23 -12.700 -4.526 2.562 1.00 0.00 H new ATOM 392 N PRO A 24 -14.139 0.164 1.019 1.00 0.00 N ATOM 393 CA PRO A 24 -14.530 1.543 1.284 1.00 0.00 C ATOM 394 C PRO A 24 -14.426 1.874 2.769 1.00 0.00 C ATOM 395 O PRO A 24 -13.971 2.963 3.118 1.00 0.00 O ATOM 396 CB PRO A 24 -15.940 1.700 0.710 1.00 0.00 C ATOM 397 CG PRO A 24 -16.511 0.287 0.772 1.00 0.00 C ATOM 398 CD PRO A 24 -15.286 -0.603 0.559 1.00 0.00 C ATOM 0 HA PRO A 24 -13.861 2.259 0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.536 2.399 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.917 2.079 -0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.989 0.089 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.264 0.124 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.380 -1.534 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.178 -0.871 -0.492 1.00 0.00 H new ATOM 406 N VAL A 25 -14.785 0.930 3.640 1.00 0.00 N ATOM 407 CA VAL A 25 -14.726 1.115 5.080 1.00 0.00 C ATOM 408 C VAL A 25 -13.261 1.103 5.547 1.00 0.00 C ATOM 409 O VAL A 25 -12.887 1.880 6.427 1.00 0.00 O ATOM 410 CB VAL A 25 -15.582 0.037 5.772 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.691 0.351 7.267 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.005 -0.043 5.189 1.00 0.00 C ATOM 0 H VAL A 25 -15.126 0.011 3.358 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.140 2.085 5.357 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.088 -0.920 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.297 -0.412 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.695 0.363 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.159 1.326 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.569 -0.817 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.505 0.917 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.950 -0.286 4.128 1.00 0.00 H new ATOM 422 N GLU A 26 -12.409 0.276 4.935 1.00 0.00 N ATOM 423 CA GLU A 26 -10.996 0.187 5.282 1.00 0.00 C ATOM 424 C GLU A 26 -10.312 1.489 4.885 1.00 0.00 C ATOM 425 O GLU A 26 -9.501 2.002 5.646 1.00 0.00 O ATOM 426 CB GLU A 26 -10.315 -1.009 4.600 1.00 0.00 C ATOM 427 CG GLU A 26 -10.420 -2.311 5.406 1.00 0.00 C ATOM 428 CD GLU A 26 -11.742 -3.056 5.248 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.826 -2.473 5.472 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.694 -4.254 4.897 1.00 0.00 O ATOM 0 H GLU A 26 -12.686 -0.353 4.181 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.908 0.031 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.763 -1.161 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.263 -0.775 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.608 -2.973 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.272 -2.082 6.461 1.00 0.00 H new ATOM 437 N ASP A 27 -10.631 2.024 3.705 1.00 0.00 N ATOM 438 CA ASP A 27 -10.072 3.278 3.214 1.00 0.00 C ATOM 439 C ASP A 27 -10.540 4.411 4.112 1.00 0.00 C ATOM 440 O ASP A 27 -9.742 5.238 4.532 1.00 0.00 O ATOM 441 CB ASP A 27 -10.532 3.517 1.788 1.00 0.00 C ATOM 442 CG ASP A 27 -10.043 4.870 1.266 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.820 5.125 1.229 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.889 5.680 0.829 1.00 0.00 O ATOM 0 H ASP A 27 -11.292 1.592 3.059 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.983 3.231 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.159 2.720 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.620 3.479 1.743 1.00 0.00 H new ATOM 449 N GLU A 28 -11.834 4.433 4.432 1.00 0.00 N ATOM 450 CA GLU A 28 -12.462 5.409 5.304 1.00 0.00 C ATOM 451 C GLU A 28 -11.708 5.412 6.631 1.00 0.00 C ATOM 452 O GLU A 28 -11.317 6.476 7.098 1.00 0.00 O ATOM 453 CB GLU A 28 -13.951 5.062 5.463 1.00 0.00 C ATOM 454 CG GLU A 28 -14.725 5.977 6.417 1.00 0.00 C ATOM 455 CD GLU A 28 -16.223 5.662 6.493 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.808 5.100 5.538 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.855 6.010 7.523 1.00 0.00 O ATOM 0 H GLU A 28 -12.493 3.742 4.074 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.415 6.415 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.425 5.099 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.034 4.035 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.294 5.894 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.596 7.011 6.099 1.00 0.00 H new ATOM 464 N THR A 29 -11.463 4.235 7.209 1.00 0.00 N ATOM 465 CA THR A 29 -10.768 4.077 8.476 1.00 0.00 C ATOM 466 C THR A 29 -9.301 4.482 8.358 1.00 0.00 C ATOM 467 O THR A 29 -8.835 5.283 9.154 1.00 0.00 O ATOM 468 CB THR A 29 -10.890 2.611 8.950 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.252 2.205 9.014 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.253 2.380 10.326 1.00 0.00 C ATOM 0 H THR A 29 -11.751 3.348 6.795 1.00 0.00 H new ATOM 0 HA THR A 29 -11.231 4.735 9.212 1.00 0.00 H new ATOM 0 HB THR A 29 -10.352 2.016 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.527 1.845 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.368 1.334 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.193 2.630 10.283 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.745 3.012 11.065 1.00 0.00 H new ATOM 478 N ILE A 30 -8.545 3.975 7.390 1.00 0.00 N ATOM 479 CA ILE A 30 -7.137 4.339 7.266 1.00 0.00 C ATOM 480 C ILE A 30 -7.001 5.845 7.049 1.00 0.00 C ATOM 481 O ILE A 30 -6.019 6.440 7.478 1.00 0.00 O ATOM 482 CB ILE A 30 -6.476 3.502 6.151 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.338 2.056 6.682 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.112 4.110 5.734 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.104 0.979 5.622 1.00 0.00 C ATOM 0 H ILE A 30 -8.879 3.317 6.686 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.607 4.109 8.190 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.088 3.502 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.511 2.027 7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.242 1.804 7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.668 3.501 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.263 5.125 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.445 4.132 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.022 0.005 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.940 0.969 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.182 1.195 5.082 1.00 0.00 H new ATOM 497 N ARG A 31 -7.965 6.473 6.385 1.00 0.00 N ATOM 498 CA ARG A 31 -7.926 7.899 6.108 1.00 0.00 C ATOM 499 C ARG A 31 -8.273 8.662 7.365 1.00 0.00 C ATOM 500 O ARG A 31 -7.575 9.609 7.712 1.00 0.00 O ATOM 501 CB ARG A 31 -8.873 8.218 4.950 1.00 0.00 C ATOM 502 CG ARG A 31 -8.612 9.599 4.352 1.00 0.00 C ATOM 503 CD ARG A 31 -9.589 9.819 3.197 1.00 0.00 C ATOM 504 NE ARG A 31 -9.173 10.976 2.395 1.00 0.00 N ATOM 505 CZ ARG A 31 -9.935 11.935 1.865 1.00 0.00 C ATOM 506 NH1 ARG A 31 -11.246 11.976 2.060 1.00 0.00 N ATOM 507 NH2 ARG A 31 -9.350 12.862 1.118 1.00 0.00 N ATOM 0 H ARG A 31 -8.796 6.004 6.024 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.925 8.205 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.762 7.461 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.904 8.165 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.742 10.371 5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.584 9.670 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.629 8.928 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.594 9.980 3.587 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.171 11.058 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.700 11.261 2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.801 12.722 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.343 12.830 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.908 13.607 0.700 1.00 0.00 H new ATOM 521 N LYS A 32 -9.318 8.226 8.070 1.00 0.00 N ATOM 522 CA LYS A 32 -9.744 8.882 9.291 1.00 0.00 C ATOM 523 C LYS A 32 -8.676 8.731 10.373 1.00 0.00 C ATOM 524 O LYS A 32 -8.513 9.629 11.192 1.00 0.00 O ATOM 525 CB LYS A 32 -11.237 8.621 9.599 1.00 0.00 C ATOM 526 CG LYS A 32 -11.798 7.343 10.210 1.00 0.00 C ATOM 527 CD LYS A 32 -10.905 6.753 11.279 1.00 0.00 C ATOM 528 CE LYS A 32 -11.619 5.662 12.076 1.00 0.00 C ATOM 529 NZ LYS A 32 -12.606 6.216 13.023 1.00 0.00 N ATOM 0 H LYS A 32 -9.882 7.417 7.809 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.785 9.967 9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.551 9.430 10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.764 8.757 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.778 7.552 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.946 6.605 9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.009 6.338 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.578 7.542 11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.121 4.982 11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.883 5.075 12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.953 5.458 13.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.157 6.958 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.404 6.623 12.494 1.00 0.00 H new ATOM 543 N LYS A 33 -7.910 7.637 10.367 1.00 0.00 N ATOM 544 CA LYS A 33 -6.838 7.403 11.322 1.00 0.00 C ATOM 545 C LYS A 33 -5.649 8.253 10.888 1.00 0.00 C ATOM 546 O LYS A 33 -5.093 8.951 11.723 1.00 0.00 O ATOM 547 CB LYS A 33 -6.433 5.923 11.353 1.00 0.00 C ATOM 548 CG LYS A 33 -7.387 5.002 12.130 1.00 0.00 C ATOM 549 CD LYS A 33 -7.195 5.042 13.658 1.00 0.00 C ATOM 550 CE LYS A 33 -5.835 4.512 14.150 1.00 0.00 C ATOM 551 NZ LYS A 33 -5.625 3.081 13.855 1.00 0.00 N ATOM 0 H LYS A 33 -8.023 6.884 9.689 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.172 7.671 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.359 5.561 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.438 5.844 11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.414 5.281 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.248 3.978 11.784 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.313 6.071 13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.988 4.458 14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.037 5.092 13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.759 4.669 15.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.986 2.670 14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.538 2.584 13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.203 2.980 12.910 1.00 0.00 H new ATOM 565 N ALA A 34 -5.264 8.202 9.607 1.00 0.00 N ATOM 566 CA ALA A 34 -4.142 8.959 9.059 1.00 0.00 C ATOM 567 C ALA A 34 -4.309 10.445 9.361 1.00 0.00 C ATOM 568 O ALA A 34 -3.446 11.034 10.010 1.00 0.00 O ATOM 569 CB ALA A 34 -4.001 8.677 7.563 1.00 0.00 C ATOM 0 H ALA A 34 -5.735 7.621 8.913 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.216 8.639 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.162 9.246 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.824 7.613 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.916 8.971 7.049 1.00 0.00 H new ATOM 575 N GLU A 35 -5.426 11.032 8.931 1.00 0.00 N ATOM 576 CA GLU A 35 -5.693 12.452 9.140 1.00 0.00 C ATOM 577 C GLU A 35 -5.796 12.800 10.630 1.00 0.00 C ATOM 578 O GLU A 35 -5.261 13.830 11.038 1.00 0.00 O ATOM 579 CB GLU A 35 -6.944 12.883 8.356 1.00 0.00 C ATOM 580 CG GLU A 35 -7.169 14.407 8.340 1.00 0.00 C ATOM 581 CD GLU A 35 -6.142 15.167 7.491 1.00 0.00 C ATOM 582 OE1 GLU A 35 -5.039 15.483 7.994 1.00 0.00 O ATOM 583 OE2 GLU A 35 -6.444 15.495 6.318 1.00 0.00 O ATOM 0 H GLU A 35 -6.166 10.539 8.431 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.845 13.018 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.860 12.526 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.819 12.400 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.169 14.615 7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.133 14.783 9.363 1.00 0.00 H new ATOM 590 N ASP A 36 -6.448 11.970 11.457 1.00 0.00 N ATOM 591 CA ASP A 36 -6.574 12.250 12.895 1.00 0.00 C ATOM 592 C ASP A 36 -5.213 12.187 13.578 1.00 0.00 C ATOM 593 O ASP A 36 -4.987 12.838 14.595 1.00 0.00 O ATOM 594 CB ASP A 36 -7.553 11.282 13.565 1.00 0.00 C ATOM 595 CG ASP A 36 -7.798 11.603 15.045 1.00 0.00 C ATOM 596 OD1 ASP A 36 -8.390 12.667 15.349 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.549 10.722 15.905 1.00 0.00 O ATOM 0 H ASP A 36 -6.894 11.103 11.157 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.970 13.260 13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.503 11.308 13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.167 10.266 13.479 1.00 0.00 H new ATOM 602 N SER A 37 -4.298 11.403 13.006 1.00 0.00 N ATOM 603 CA SER A 37 -2.946 11.232 13.491 1.00 0.00 C ATOM 604 C SER A 37 -2.021 12.275 12.853 1.00 0.00 C ATOM 605 O SER A 37 -0.839 12.318 13.188 1.00 0.00 O ATOM 606 CB SER A 37 -2.495 9.790 13.210 1.00 0.00 C ATOM 607 OG SER A 37 -1.508 9.355 14.124 1.00 0.00 O ATOM 0 H SER A 37 -4.493 10.857 12.167 1.00 0.00 H new ATOM 0 HA SER A 37 -2.902 11.393 14.568 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.356 9.124 13.263 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.103 9.724 12.195 1.00 0.00 H new ATOM 0 HG SER A 37 -1.249 8.434 13.912 1.00 0.00 H new ATOM 613 N GLY A 38 -2.520 13.127 11.953 1.00 0.00 N ATOM 614 CA GLY A 38 -1.746 14.161 11.288 1.00 0.00 C ATOM 615 C GLY A 38 -0.662 13.588 10.379 1.00 0.00 C ATOM 616 O GLY A 38 0.419 14.173 10.302 1.00 0.00 O ATOM 0 H GLY A 38 -3.498 13.110 11.665 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.415 14.788 10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.284 14.803 12.038 1.00 0.00 H new ATOM 620 N LEU A 39 -0.911 12.441 9.742 1.00 0.00 N ATOM 621 CA LEU A 39 0.005 11.759 8.841 1.00 0.00 C ATOM 622 C LEU A 39 -0.724 11.466 7.539 1.00 0.00 C ATOM 623 O LEU A 39 -1.946 11.303 7.502 1.00 0.00 O ATOM 624 CB LEU A 39 0.450 10.403 9.433 1.00 0.00 C ATOM 625 CG LEU A 39 1.312 10.446 10.706 1.00 0.00 C ATOM 626 CD1 LEU A 39 1.650 9.012 11.136 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.611 11.235 10.510 1.00 0.00 C ATOM 0 H LEU A 39 -1.796 11.946 9.849 1.00 0.00 H new ATOM 0 HA LEU A 39 0.875 12.397 8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.444 9.818 9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.006 9.864 8.666 1.00 0.00 H new ATOM 0 HG LEU A 39 0.733 10.956 11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.261 9.037 12.038 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.728 8.466 11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.201 8.513 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.181 11.234 11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.203 10.772 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.374 12.262 10.231 1.00 0.00 H new ATOM 639 N THR A 40 0.032 11.383 6.453 1.00 0.00 N ATOM 640 CA THR A 40 -0.530 11.049 5.158 1.00 0.00 C ATOM 641 C THR A 40 -0.760 9.542 5.226 1.00 0.00 C ATOM 642 O THR A 40 0.033 8.816 5.829 1.00 0.00 O ATOM 643 CB THR A 40 0.439 11.415 4.006 1.00 0.00 C ATOM 644 OG1 THR A 40 0.204 10.648 2.836 1.00 0.00 O ATOM 645 CG2 THR A 40 1.909 11.187 4.342 1.00 0.00 C ATOM 0 H THR A 40 1.039 11.544 6.447 1.00 0.00 H new ATOM 0 HA THR A 40 -1.446 11.603 4.952 1.00 0.00 H new ATOM 0 HB THR A 40 0.241 12.475 3.847 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.966 10.053 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.525 11.466 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.185 11.797 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.070 10.135 4.577 1.00 0.00 H new ATOM 653 N VAL A 41 -1.784 9.057 4.535 1.00 0.00 N ATOM 654 CA VAL A 41 -2.129 7.643 4.445 1.00 0.00 C ATOM 655 C VAL A 41 -0.878 6.833 4.061 1.00 0.00 C ATOM 656 O VAL A 41 -0.636 5.778 4.643 1.00 0.00 O ATOM 657 CB VAL A 41 -3.312 7.487 3.465 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.506 6.050 2.955 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.592 7.969 4.160 1.00 0.00 C ATOM 0 H VAL A 41 -2.417 9.655 4.005 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.459 7.244 5.404 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.086 8.091 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.355 6.018 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.607 5.725 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.695 5.387 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.437 7.865 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.769 7.369 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.481 9.016 4.442 1.00 0.00 H new ATOM 669 N SER A 42 -0.031 7.332 3.155 1.00 0.00 N ATOM 670 CA SER A 42 1.183 6.635 2.743 1.00 0.00 C ATOM 671 C SER A 42 2.119 6.365 3.935 1.00 0.00 C ATOM 672 O SER A 42 2.623 5.246 4.082 1.00 0.00 O ATOM 673 CB SER A 42 1.881 7.430 1.627 1.00 0.00 C ATOM 674 OG SER A 42 2.196 8.767 2.006 1.00 0.00 O ATOM 0 H SER A 42 -0.171 8.229 2.690 1.00 0.00 H new ATOM 0 HA SER A 42 0.908 5.657 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.798 6.914 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.238 7.450 0.747 1.00 0.00 H new ATOM 0 HG SER A 42 2.638 9.223 1.260 1.00 0.00 H new ATOM 680 N ALA A 43 2.369 7.394 4.755 1.00 0.00 N ATOM 681 CA ALA A 43 3.208 7.333 5.941 1.00 0.00 C ATOM 682 C ALA A 43 2.523 6.454 6.974 1.00 0.00 C ATOM 683 O ALA A 43 3.177 5.593 7.542 1.00 0.00 O ATOM 684 CB ALA A 43 3.459 8.723 6.543 1.00 0.00 C ATOM 0 H ALA A 43 1.975 8.321 4.598 1.00 0.00 H new ATOM 0 HA ALA A 43 4.175 6.920 5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.090 8.628 7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.958 9.354 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.508 9.175 6.823 1.00 0.00 H new ATOM 690 N TYR A 44 1.223 6.655 7.204 1.00 0.00 N ATOM 691 CA TYR A 44 0.426 5.902 8.155 1.00 0.00 C ATOM 692 C TYR A 44 0.587 4.403 7.883 1.00 0.00 C ATOM 693 O TYR A 44 1.003 3.668 8.772 1.00 0.00 O ATOM 694 CB TYR A 44 -1.020 6.389 8.078 1.00 0.00 C ATOM 695 CG TYR A 44 -1.960 5.584 8.937 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.574 4.447 8.385 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.185 5.935 10.281 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.434 3.668 9.169 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.029 5.141 11.075 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.661 4.006 10.518 1.00 0.00 C ATOM 701 OH TYR A 44 -4.514 3.252 11.257 1.00 0.00 O ATOM 0 H TYR A 44 0.686 7.371 6.714 1.00 0.00 H new ATOM 0 HA TYR A 44 0.765 6.065 9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.062 7.434 8.384 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.357 6.347 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.383 4.174 7.358 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.711 6.810 10.700 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.924 2.807 8.739 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.195 5.398 12.111 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.682 2.403 10.797 1.00 0.00 H new ATOM 711 N ILE A 45 0.344 3.968 6.638 1.00 0.00 N ATOM 712 CA ILE A 45 0.446 2.574 6.212 1.00 0.00 C ATOM 713 C ILE A 45 1.798 1.974 6.598 1.00 0.00 C ATOM 714 O ILE A 45 1.849 0.983 7.320 1.00 0.00 O ATOM 715 CB ILE A 45 0.196 2.444 4.683 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.277 2.656 4.274 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.694 1.092 4.125 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.228 1.553 4.726 1.00 0.00 C ATOM 0 H ILE A 45 0.064 4.596 5.884 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.327 2.009 6.732 1.00 0.00 H new ATOM 0 HB ILE A 45 0.779 3.252 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.621 3.605 4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.330 2.741 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.498 1.046 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.765 0.998 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.170 0.277 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.240 1.786 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.915 0.603 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.210 1.480 5.813 1.00 0.00 H new ATOM 730 N ARG A 46 2.897 2.519 6.068 1.00 0.00 N ATOM 731 CA ARG A 46 4.221 1.980 6.369 1.00 0.00 C ATOM 732 C ARG A 46 4.535 2.056 7.860 1.00 0.00 C ATOM 733 O ARG A 46 5.002 1.071 8.412 1.00 0.00 O ATOM 734 CB ARG A 46 5.304 2.611 5.477 1.00 0.00 C ATOM 735 CG ARG A 46 5.574 4.088 5.794 1.00 0.00 C ATOM 736 CD ARG A 46 6.394 4.786 4.719 1.00 0.00 C ATOM 737 NE ARG A 46 7.723 4.170 4.535 1.00 0.00 N ATOM 738 CZ ARG A 46 8.458 4.181 3.418 1.00 0.00 C ATOM 739 NH1 ARG A 46 7.950 4.621 2.269 1.00 0.00 N ATOM 740 NH2 ARG A 46 9.707 3.736 3.459 1.00 0.00 N ATOM 0 H ARG A 46 2.895 3.321 5.438 1.00 0.00 H new ATOM 0 HA ARG A 46 4.217 0.918 6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.230 2.048 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.002 2.521 4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.624 4.608 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.098 4.160 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.850 4.757 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.517 5.836 4.984 1.00 0.00 H new ATOM 0 HE ARG A 46 8.121 3.687 5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.987 4.956 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.523 4.623 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.097 3.390 4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.278 3.739 2.614 1.00 0.00 H new ATOM 754 N ASN A 47 4.281 3.192 8.507 1.00 0.00 N ATOM 755 CA ASN A 47 4.541 3.408 9.923 1.00 0.00 C ATOM 756 C ASN A 47 3.912 2.293 10.746 1.00 0.00 C ATOM 757 O ASN A 47 4.632 1.609 11.469 1.00 0.00 O ATOM 758 CB ASN A 47 4.051 4.806 10.321 1.00 0.00 C ATOM 759 CG ASN A 47 4.369 5.176 11.757 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.465 5.657 12.038 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.412 5.040 12.656 1.00 0.00 N ATOM 0 H ASN A 47 3.878 4.007 8.045 1.00 0.00 H new ATOM 0 HA ASN A 47 5.611 3.372 10.126 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.502 5.543 9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.973 4.860 10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.570 5.338 13.618 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.514 4.637 12.388 1.00 0.00 H new ATOM 768 N ALA A 48 2.606 2.084 10.573 1.00 0.00 N ATOM 769 CA ALA A 48 1.826 1.070 11.262 1.00 0.00 C ATOM 770 C ALA A 48 2.228 -0.359 10.884 1.00 0.00 C ATOM 771 O ALA A 48 2.069 -1.268 11.695 1.00 0.00 O ATOM 772 CB ALA A 48 0.352 1.283 10.896 1.00 0.00 C ATOM 0 H ALA A 48 2.048 2.639 9.925 1.00 0.00 H new ATOM 0 HA ALA A 48 2.006 1.177 12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.260 0.535 11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.039 2.279 11.210 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.227 1.187 9.817 1.00 0.00 H new ATOM 778 N ALA A 49 2.714 -0.585 9.661 1.00 0.00 N ATOM 779 CA ALA A 49 3.115 -1.909 9.188 1.00 0.00 C ATOM 780 C ALA A 49 4.514 -2.319 9.648 1.00 0.00 C ATOM 781 O ALA A 49 4.835 -3.504 9.650 1.00 0.00 O ATOM 782 CB ALA A 49 3.062 -1.940 7.659 1.00 0.00 C ATOM 0 H ALA A 49 2.841 0.152 8.967 1.00 0.00 H new ATOM 0 HA ALA A 49 2.414 -2.623 9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.361 -2.927 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.046 -1.727 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.741 -1.189 7.256 1.00 0.00 H new ATOM 788 N LEU A 50 5.349 -1.362 10.042 1.00 0.00 N ATOM 789 CA LEU A 50 6.713 -1.615 10.472 1.00 0.00 C ATOM 790 C LEU A 50 6.921 -1.492 11.969 1.00 0.00 C ATOM 791 O LEU A 50 7.771 -2.201 12.512 1.00 0.00 O ATOM 792 CB LEU A 50 7.612 -0.536 9.853 1.00 0.00 C ATOM 793 CG LEU A 50 7.682 -0.532 8.323 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.148 0.859 7.881 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.626 -1.630 7.847 1.00 0.00 C ATOM 0 H LEU A 50 5.090 -0.376 10.071 1.00 0.00 H new ATOM 0 HA LEU A 50 6.943 -2.635 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.259 0.440 10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.621 -0.661 10.245 1.00 0.00 H new ATOM 0 HG LEU A 50 6.707 -0.737 7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.208 0.894 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.437 1.609 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.130 1.065 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.672 -1.623 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.622 -1.455 8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.260 -2.598 8.188 1.00 0.00 H new ATOM 807 N ASN A 51 6.242 -0.536 12.602 1.00 0.00 N ATOM 808 CA ASN A 51 6.380 -0.248 14.027 1.00 0.00 C ATOM 809 C ASN A 51 5.275 -0.905 14.821 1.00 0.00 C ATOM 810 O ASN A 51 5.468 -2.066 15.237 1.00 0.00 O ATOM 811 CB ASN A 51 6.438 1.274 14.280 1.00 0.00 C ATOM 812 CG ASN A 51 7.642 1.960 13.645 1.00 0.00 C ATOM 813 OD1 ASN A 51 8.649 2.250 14.293 1.00 0.00 O ATOM 814 ND2 ASN A 51 7.557 2.216 12.350 1.00 0.00 N ATOM 0 H ASN A 51 5.570 0.069 12.130 1.00 0.00 H new ATOM 0 HA ASN A 51 7.324 -0.672 14.370 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.527 1.731 13.895 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.455 1.453 15.355 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.336 2.663 11.866 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.713 1.966 11.835 1.00 0.00 H new TER 821 ASN A 51 ATOM 822 N SER B 1 -24.613 10.732 11.634 1.00 0.00 N ATOM 823 CA SER B 1 -25.191 11.978 11.121 1.00 0.00 C ATOM 824 C SER B 1 -24.606 12.325 9.750 1.00 0.00 C ATOM 825 O SER B 1 -23.851 13.296 9.619 1.00 0.00 O ATOM 826 CB SER B 1 -24.999 13.106 12.137 1.00 0.00 C ATOM 827 OG SER B 1 -25.569 12.746 13.378 1.00 0.00 O ATOM 0 H1 SER B 1 -24.716 10.702 12.668 1.00 0.00 H new ATOM 0 H2 SER B 1 -25.108 9.920 11.213 1.00 0.00 H new ATOM 0 H3 SER B 1 -23.604 10.689 11.385 1.00 0.00 H new ATOM 0 HA SER B 1 -26.263 11.842 10.981 1.00 0.00 H new ATOM 0 HB2 SER B 1 -23.937 13.315 12.263 1.00 0.00 H new ATOM 0 HB3 SER B 1 -25.462 14.021 11.767 1.00 0.00 H new ATOM 0 HG SER B 1 -25.439 13.474 14.021 1.00 0.00 H new ATOM 833 N ASP B 2 -24.876 11.497 8.737 1.00 0.00 N ATOM 834 CA ASP B 2 -24.415 11.699 7.362 1.00 0.00 C ATOM 835 C ASP B 2 -25.492 12.452 6.586 1.00 0.00 C ATOM 836 O ASP B 2 -26.634 12.565 7.036 1.00 0.00 O ATOM 837 CB ASP B 2 -24.031 10.380 6.672 1.00 0.00 C ATOM 838 CG ASP B 2 -25.229 9.539 6.245 1.00 0.00 C ATOM 839 OD1 ASP B 2 -25.833 8.869 7.115 1.00 0.00 O ATOM 840 OD2 ASP B 2 -25.535 9.498 5.037 1.00 0.00 O ATOM 0 H ASP B 2 -25.433 10.650 8.853 1.00 0.00 H new ATOM 0 HA ASP B 2 -23.502 12.294 7.384 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -23.424 10.603 5.795 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -23.410 9.794 7.349 1.00 0.00 H new ATOM 845 N SER B 3 -25.124 12.966 5.417 1.00 0.00 N ATOM 846 CA SER B 3 -25.991 13.733 4.543 1.00 0.00 C ATOM 847 C SER B 3 -25.847 13.291 3.087 1.00 0.00 C ATOM 848 O SER B 3 -24.875 12.622 2.704 1.00 0.00 O ATOM 849 CB SER B 3 -25.624 15.216 4.704 1.00 0.00 C ATOM 850 OG SER B 3 -24.239 15.396 4.465 1.00 0.00 O ATOM 0 H SER B 3 -24.181 12.854 5.044 1.00 0.00 H new ATOM 0 HA SER B 3 -27.033 13.568 4.818 1.00 0.00 H new ATOM 0 HB2 SER B 3 -26.204 15.821 4.008 1.00 0.00 H new ATOM 0 HB3 SER B 3 -25.876 15.556 5.709 1.00 0.00 H new ATOM 0 HG SER B 3 -24.010 16.343 4.567 1.00 0.00 H new ATOM 856 N ALA B 4 -26.826 13.690 2.270 1.00 0.00 N ATOM 857 CA ALA B 4 -26.888 13.407 0.848 1.00 0.00 C ATOM 858 C ALA B 4 -25.943 14.370 0.116 1.00 0.00 C ATOM 859 O ALA B 4 -26.382 15.370 -0.451 1.00 0.00 O ATOM 860 CB ALA B 4 -28.338 13.524 0.359 1.00 0.00 C ATOM 0 H ALA B 4 -27.621 14.237 2.600 1.00 0.00 H new ATOM 0 HA ALA B 4 -26.563 12.388 0.639 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -28.380 13.311 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -28.962 12.810 0.896 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -28.703 14.535 0.542 1.00 0.00 H new ATOM 866 N VAL B 5 -24.636 14.118 0.188 1.00 0.00 N ATOM 867 CA VAL B 5 -23.614 14.925 -0.470 1.00 0.00 C ATOM 868 C VAL B 5 -23.546 14.530 -1.956 1.00 0.00 C ATOM 869 O VAL B 5 -23.179 15.355 -2.795 1.00 0.00 O ATOM 870 CB VAL B 5 -22.281 14.833 0.307 1.00 0.00 C ATOM 871 CG1 VAL B 5 -21.705 13.411 0.393 1.00 0.00 C ATOM 872 CG2 VAL B 5 -21.223 15.796 -0.247 1.00 0.00 C ATOM 0 H VAL B 5 -24.253 13.333 0.715 1.00 0.00 H new ATOM 0 HA VAL B 5 -23.865 15.986 -0.456 1.00 0.00 H new ATOM 0 HB VAL B 5 -22.535 15.133 1.324 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -20.770 13.430 0.953 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -22.418 12.760 0.899 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -21.518 13.033 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -20.303 15.697 0.329 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -21.024 15.556 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -21.589 16.820 -0.173 1.00 0.00 H new ATOM 882 N ARG B 6 -23.908 13.286 -2.308 1.00 0.00 N ATOM 883 CA ARG B 6 -23.910 12.836 -3.701 1.00 0.00 C ATOM 884 C ARG B 6 -25.058 13.537 -4.438 1.00 0.00 C ATOM 885 O ARG B 6 -25.980 14.067 -3.811 1.00 0.00 O ATOM 886 CB ARG B 6 -24.060 11.308 -3.773 1.00 0.00 C ATOM 887 CG ARG B 6 -22.788 10.548 -3.365 1.00 0.00 C ATOM 888 CD ARG B 6 -22.980 9.032 -3.537 1.00 0.00 C ATOM 889 NE ARG B 6 -21.699 8.316 -3.437 1.00 0.00 N ATOM 890 CZ ARG B 6 -21.478 7.047 -3.078 1.00 0.00 C ATOM 891 NH1 ARG B 6 -22.431 6.281 -2.555 1.00 0.00 N ATOM 892 NH2 ARG B 6 -20.274 6.531 -3.271 1.00 0.00 N ATOM 0 H ARG B 6 -24.204 12.574 -1.640 1.00 0.00 H new ATOM 0 HA ARG B 6 -22.963 13.093 -4.176 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -24.881 11.000 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -24.333 11.025 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -21.947 10.884 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -22.542 10.773 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -23.666 8.662 -2.776 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -23.438 8.829 -4.505 1.00 0.00 H new ATOM 0 HE ARG B 6 -20.869 8.860 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -23.369 6.657 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -22.224 5.317 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -19.536 7.100 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -20.084 5.565 -3.004 1.00 0.00 H new ATOM 906 N LYS B 7 -25.038 13.537 -5.777 1.00 0.00 N ATOM 907 CA LYS B 7 -26.075 14.176 -6.594 1.00 0.00 C ATOM 908 C LYS B 7 -26.512 13.235 -7.708 1.00 0.00 C ATOM 909 O LYS B 7 -27.598 12.662 -7.631 1.00 0.00 O ATOM 910 CB LYS B 7 -25.603 15.536 -7.148 1.00 0.00 C ATOM 911 CG LYS B 7 -25.227 16.544 -6.054 1.00 0.00 C ATOM 912 CD LYS B 7 -24.578 17.802 -6.634 1.00 0.00 C ATOM 913 CE LYS B 7 -25.584 18.713 -7.340 1.00 0.00 C ATOM 914 NZ LYS B 7 -24.890 19.864 -7.949 1.00 0.00 N ATOM 0 H LYS B 7 -24.301 13.093 -6.324 1.00 0.00 H new ATOM 0 HA LYS B 7 -26.938 14.380 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -24.741 15.376 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -26.393 15.961 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -26.120 16.822 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -24.542 16.075 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -24.091 18.357 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -23.799 17.512 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -26.117 18.152 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -26.330 19.065 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -25.584 20.475 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -24.402 20.406 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -24.195 19.523 -8.643 1.00 0.00 H new ATOM 928 N LYS B 8 -25.708 13.113 -8.767 1.00 0.00 N ATOM 929 CA LYS B 8 -25.999 12.261 -9.911 1.00 0.00 C ATOM 930 C LYS B 8 -24.690 11.864 -10.584 1.00 0.00 C ATOM 931 O LYS B 8 -24.203 12.560 -11.475 1.00 0.00 O ATOM 932 CB LYS B 8 -27.022 12.920 -10.862 1.00 0.00 C ATOM 933 CG LYS B 8 -26.715 14.355 -11.338 1.00 0.00 C ATOM 934 CD LYS B 8 -27.645 14.749 -12.500 1.00 0.00 C ATOM 935 CE LYS B 8 -27.099 15.920 -13.330 1.00 0.00 C ATOM 936 NZ LYS B 8 -25.855 15.564 -14.043 1.00 0.00 N ATOM 0 H LYS B 8 -24.823 13.614 -8.850 1.00 0.00 H new ATOM 0 HA LYS B 8 -26.483 11.342 -9.579 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -27.123 12.286 -11.743 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -27.991 12.929 -10.363 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -26.841 15.054 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -25.675 14.424 -11.657 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -27.792 13.886 -13.150 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -28.623 15.018 -12.101 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -27.853 16.234 -14.052 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -26.910 16.771 -12.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -25.687 16.246 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -25.055 15.586 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -25.946 14.609 -14.444 1.00 0.00 H new ATOM 950 N SER B 9 -24.082 10.773 -10.131 1.00 0.00 N ATOM 951 CA SER B 9 -22.831 10.273 -10.688 1.00 0.00 C ATOM 952 C SER B 9 -22.960 8.763 -10.839 1.00 0.00 C ATOM 953 O SER B 9 -23.436 8.082 -9.925 1.00 0.00 O ATOM 954 CB SER B 9 -21.654 10.690 -9.809 1.00 0.00 C ATOM 955 OG SER B 9 -21.622 12.099 -9.648 1.00 0.00 O ATOM 0 H SER B 9 -24.445 10.208 -9.363 1.00 0.00 H new ATOM 0 HA SER B 9 -22.634 10.703 -11.670 1.00 0.00 H new ATOM 0 HB2 SER B 9 -21.734 10.209 -8.834 1.00 0.00 H new ATOM 0 HB3 SER B 9 -20.721 10.349 -10.257 1.00 0.00 H new ATOM 0 HG SER B 9 -20.862 12.346 -9.081 1.00 0.00 H new ATOM 961 N GLU B 10 -22.506 8.237 -11.974 1.00 0.00 N ATOM 962 CA GLU B 10 -22.583 6.821 -12.321 1.00 0.00 C ATOM 963 C GLU B 10 -21.299 6.015 -12.097 1.00 0.00 C ATOM 964 O GLU B 10 -21.243 4.828 -12.413 1.00 0.00 O ATOM 965 CB GLU B 10 -23.027 6.751 -13.786 1.00 0.00 C ATOM 966 CG GLU B 10 -23.861 5.510 -14.118 1.00 0.00 C ATOM 967 CD GLU B 10 -23.703 5.124 -15.585 1.00 0.00 C ATOM 968 OE1 GLU B 10 -23.624 6.009 -16.467 1.00 0.00 O ATOM 969 OE2 GLU B 10 -23.564 3.905 -15.831 1.00 0.00 O ATOM 0 H GLU B 10 -22.062 8.801 -12.698 1.00 0.00 H new ATOM 0 HA GLU B 10 -23.295 6.349 -11.643 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -23.608 7.642 -14.023 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -22.144 6.766 -14.425 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -23.552 4.679 -13.484 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -24.911 5.704 -13.900 1.00 0.00 H new ATOM 976 N VAL B 11 -20.254 6.665 -11.601 1.00 0.00 N ATOM 977 CA VAL B 11 -18.958 6.045 -11.320 1.00 0.00 C ATOM 978 C VAL B 11 -19.112 5.195 -10.053 1.00 0.00 C ATOM 979 O VAL B 11 -19.725 5.664 -9.092 1.00 0.00 O ATOM 980 CB VAL B 11 -17.900 7.154 -11.138 1.00 0.00 C ATOM 981 CG1 VAL B 11 -16.529 6.580 -10.771 1.00 0.00 C ATOM 982 CG2 VAL B 11 -17.747 8.006 -12.409 1.00 0.00 C ATOM 0 H VAL B 11 -20.281 7.660 -11.377 1.00 0.00 H new ATOM 0 HA VAL B 11 -18.631 5.405 -12.139 1.00 0.00 H new ATOM 0 HB VAL B 11 -18.259 7.780 -10.321 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -15.814 7.394 -10.652 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -16.605 6.025 -9.836 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -16.190 5.912 -11.563 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -16.994 8.776 -12.242 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -17.438 7.370 -13.239 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -18.700 8.477 -12.648 1.00 0.00 H new ATOM 992 N ARG B 12 -18.531 3.990 -9.998 1.00 0.00 N ATOM 993 CA ARG B 12 -18.638 3.112 -8.829 1.00 0.00 C ATOM 994 C ARG B 12 -17.310 2.420 -8.548 1.00 0.00 C ATOM 995 O ARG B 12 -16.708 1.866 -9.475 1.00 0.00 O ATOM 996 CB ARG B 12 -19.732 2.050 -9.061 1.00 0.00 C ATOM 997 CG ARG B 12 -21.038 2.609 -9.638 1.00 0.00 C ATOM 998 CD ARG B 12 -22.098 1.521 -9.786 1.00 0.00 C ATOM 999 NE ARG B 12 -23.212 2.009 -10.608 1.00 0.00 N ATOM 1000 CZ ARG B 12 -24.267 1.292 -10.995 1.00 0.00 C ATOM 1001 NH1 ARG B 12 -24.431 0.042 -10.582 1.00 0.00 N ATOM 1002 NH2 ARG B 12 -25.166 1.846 -11.791 1.00 0.00 N ATOM 0 H ARG B 12 -17.976 3.599 -10.759 1.00 0.00 H new ATOM 0 HA ARG B 12 -18.903 3.725 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -19.345 1.288 -9.738 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -19.949 1.555 -8.114 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -21.415 3.399 -8.988 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -20.843 3.062 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -21.659 0.635 -10.244 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -22.464 1.223 -8.803 1.00 0.00 H new ATOM 0 HE ARG B 12 -23.176 2.983 -10.910 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -23.744 -0.384 -9.959 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -25.244 -0.493 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -25.047 2.810 -12.101 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -25.978 1.309 -12.095 1.00 0.00 H new ATOM 1016 N GLN B 13 -16.838 2.453 -7.302 1.00 0.00 N ATOM 1017 CA GLN B 13 -15.600 1.813 -6.879 1.00 0.00 C ATOM 1018 C GLN B 13 -15.723 1.352 -5.425 1.00 0.00 C ATOM 1019 O GLN B 13 -15.535 2.116 -4.482 1.00 0.00 O ATOM 1020 CB GLN B 13 -14.360 2.689 -7.156 1.00 0.00 C ATOM 1021 CG GLN B 13 -14.293 4.048 -6.432 1.00 0.00 C ATOM 1022 CD GLN B 13 -14.332 5.256 -7.361 1.00 0.00 C ATOM 1023 OE1 GLN B 13 -13.332 5.630 -7.973 1.00 0.00 O ATOM 1024 NE2 GLN B 13 -15.472 5.912 -7.475 1.00 0.00 N ATOM 0 H GLN B 13 -17.319 2.937 -6.544 1.00 0.00 H new ATOM 0 HA GLN B 13 -15.440 0.922 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -13.473 2.116 -6.886 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -14.307 2.873 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -15.126 4.115 -5.732 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -13.377 4.087 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -16.296 5.595 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -15.529 6.736 -8.074 1.00 0.00 H new ATOM 1033 N LYS B 14 -16.062 0.081 -5.220 1.00 0.00 N ATOM 1034 CA LYS B 14 -16.206 -0.528 -3.894 1.00 0.00 C ATOM 1035 C LYS B 14 -14.835 -0.909 -3.320 1.00 0.00 C ATOM 1036 O LYS B 14 -14.724 -1.858 -2.549 1.00 0.00 O ATOM 1037 CB LYS B 14 -17.174 -1.719 -3.965 1.00 0.00 C ATOM 1038 CG LYS B 14 -16.658 -2.857 -4.863 1.00 0.00 C ATOM 1039 CD LYS B 14 -17.682 -3.965 -5.078 1.00 0.00 C ATOM 1040 CE LYS B 14 -18.080 -4.597 -3.740 1.00 0.00 C ATOM 1041 NZ LYS B 14 -18.365 -6.042 -3.834 1.00 0.00 N ATOM 0 H LYS B 14 -16.248 -0.569 -5.984 1.00 0.00 H new ATOM 0 HA LYS B 14 -16.638 0.198 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -17.342 -2.104 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -18.138 -1.375 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -16.370 -2.445 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -15.759 -3.283 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -18.565 -3.561 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -17.268 -4.727 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -17.278 -4.439 -3.019 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -18.961 -4.085 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -18.627 -6.406 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -19.150 -6.199 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -17.519 -6.541 -4.175 1.00 0.00 H new ATOM 1055 N THR B 15 -13.773 -0.255 -3.774 1.00 0.00 N ATOM 1056 CA THR B 15 -12.407 -0.467 -3.371 1.00 0.00 C ATOM 1057 C THR B 15 -11.605 0.709 -3.913 1.00 0.00 C ATOM 1058 O THR B 15 -12.031 1.383 -4.855 1.00 0.00 O ATOM 1059 CB THR B 15 -11.907 -1.803 -3.974 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.653 -2.213 -3.466 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.745 -1.766 -5.500 1.00 0.00 C ATOM 0 H THR B 15 -13.858 0.480 -4.476 1.00 0.00 H new ATOM 0 HA THR B 15 -12.302 -0.527 -2.288 1.00 0.00 H new ATOM 0 HB THR B 15 -12.692 -2.502 -3.686 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.468 -1.739 -2.628 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.392 -2.735 -5.852 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.706 -1.540 -5.963 1.00 0.00 H new ATOM 0 HG23 THR B 15 -11.022 -0.996 -5.771 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.404 0.875 -3.384 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.448 1.899 -3.774 1.00 0.00 C ATOM 1071 C VAL B 16 -8.310 1.179 -4.493 1.00 0.00 C ATOM 1072 O VAL B 16 -8.084 -0.006 -4.231 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.848 2.581 -2.528 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -8.112 3.889 -2.868 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.879 2.905 -1.456 1.00 0.00 C ATOM 0 H VAL B 16 -10.053 0.274 -2.639 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.937 2.650 -4.394 1.00 0.00 H new ATOM 0 HB VAL B 16 -8.147 1.841 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.709 4.328 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -7.297 3.678 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.808 4.589 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.386 3.383 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -10.631 3.579 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.360 1.985 -1.124 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.569 1.889 -5.335 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.414 1.413 -6.062 1.00 0.00 C ATOM 1087 C VAL B 17 -5.393 2.538 -5.969 1.00 0.00 C ATOM 1088 O VAL B 17 -5.631 3.646 -6.458 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.746 0.981 -7.498 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.297 2.065 -8.423 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.486 0.405 -8.154 1.00 0.00 C ATOM 0 H VAL B 17 -7.776 2.868 -5.535 1.00 0.00 H new ATOM 0 HA VAL B 17 -6.013 0.496 -5.630 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.548 0.253 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.492 1.639 -9.407 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.224 2.460 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.568 2.870 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.715 0.096 -9.174 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.705 1.165 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.140 -0.457 -7.583 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.285 2.289 -5.274 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.229 3.290 -5.140 1.00 0.00 C ATOM 1103 C ARG B 18 -1.877 2.609 -5.115 1.00 0.00 C ATOM 1104 O ARG B 18 -1.742 1.476 -4.638 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.454 4.216 -3.932 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.434 5.369 -3.938 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.745 6.497 -2.957 1.00 0.00 C ATOM 1108 NE ARG B 18 -3.638 7.530 -3.518 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.253 8.626 -4.188 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -1.965 8.813 -4.475 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -4.162 9.522 -4.567 1.00 0.00 N ATOM 0 H ARG B 18 -4.096 1.407 -4.797 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.259 3.944 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.467 4.619 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.362 3.646 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.448 4.966 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.381 5.785 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.205 6.075 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.811 6.965 -2.644 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.640 7.398 -3.384 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.272 8.123 -4.185 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -1.672 9.647 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.147 9.373 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.873 10.357 -5.077 1.00 0.00 H new ATOM 1125 N THR B 19 -0.880 3.314 -5.623 1.00 0.00 N ATOM 1126 CA THR B 19 0.493 2.862 -5.714 1.00 0.00 C ATOM 1127 C THR B 19 1.226 3.368 -4.466 1.00 0.00 C ATOM 1128 O THR B 19 1.049 4.527 -4.077 1.00 0.00 O ATOM 1129 CB THR B 19 1.117 3.372 -7.039 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.116 3.632 -7.999 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.036 2.347 -7.713 1.00 0.00 C ATOM 0 H THR B 19 -1.013 4.253 -5.997 1.00 0.00 H new ATOM 0 HA THR B 19 0.569 1.775 -5.739 1.00 0.00 H new ATOM 0 HB THR B 19 1.677 4.261 -6.749 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.532 3.954 -8.826 1.00 0.00 H new ATOM 0 HG21 THR B 19 2.438 2.769 -8.634 1.00 0.00 H new ATOM 0 HG22 THR B 19 2.856 2.096 -7.040 1.00 0.00 H new ATOM 0 HG23 THR B 19 1.468 1.446 -7.944 1.00 0.00 H new ATOM 1139 N LEU B 20 1.991 2.502 -3.792 1.00 0.00 N ATOM 1140 CA LEU B 20 2.766 2.859 -2.600 1.00 0.00 C ATOM 1141 C LEU B 20 4.189 2.371 -2.816 1.00 0.00 C ATOM 1142 O LEU B 20 4.435 1.414 -3.564 1.00 0.00 O ATOM 1143 CB LEU B 20 2.231 2.283 -1.271 1.00 0.00 C ATOM 1144 CG LEU B 20 0.933 2.880 -0.706 1.00 0.00 C ATOM 1145 CD1 LEU B 20 0.554 2.120 0.572 1.00 0.00 C ATOM 1146 CD2 LEU B 20 1.066 4.362 -0.341 1.00 0.00 C ATOM 0 H LEU B 20 2.090 1.523 -4.062 1.00 0.00 H new ATOM 0 HA LEU B 20 2.695 3.941 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.077 1.213 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU B 20 3.010 2.399 -0.517 1.00 0.00 H new ATOM 0 HG LEU B 20 0.175 2.788 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.366 2.535 0.983 1.00 0.00 H new ATOM 0 HD12 LEU B 20 0.404 1.066 0.338 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.355 2.218 1.305 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.117 4.726 0.052 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.842 4.482 0.415 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.334 4.933 -1.230 1.00 0.00 H new ATOM 1158 N ARG B 21 5.117 3.066 -2.179 1.00 0.00 N ATOM 1159 CA ARG B 21 6.553 2.855 -2.186 1.00 0.00 C ATOM 1160 C ARG B 21 6.975 2.407 -0.795 1.00 0.00 C ATOM 1161 O ARG B 21 6.346 2.794 0.192 1.00 0.00 O ATOM 1162 CB ARG B 21 7.245 4.196 -2.494 1.00 0.00 C ATOM 1163 CG ARG B 21 6.950 4.798 -3.874 1.00 0.00 C ATOM 1164 CD ARG B 21 7.792 4.194 -4.998 1.00 0.00 C ATOM 1165 NE ARG B 21 7.672 4.961 -6.245 1.00 0.00 N ATOM 1166 CZ ARG B 21 8.290 6.111 -6.536 1.00 0.00 C ATOM 1167 NH1 ARG B 21 9.023 6.761 -5.637 1.00 0.00 N ATOM 1168 NH2 ARG B 21 8.155 6.609 -7.754 1.00 0.00 N ATOM 0 H ARG B 21 4.861 3.861 -1.593 1.00 0.00 H new ATOM 0 HA ARG B 21 6.825 2.107 -2.931 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.951 4.918 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.322 4.057 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.894 4.655 -4.105 1.00 0.00 H new ATOM 0 HG3 ARG B 21 7.126 5.873 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.837 4.161 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.479 3.165 -5.173 1.00 0.00 H new ATOM 0 HE ARG B 21 7.055 4.578 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG B 21 9.126 6.384 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG B 21 9.482 7.636 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG B 21 7.590 6.117 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG B 21 8.616 7.485 -8.001 1.00 0.00 H new ATOM 1182 N PHE B 22 8.045 1.629 -0.714 1.00 0.00 N ATOM 1183 CA PHE B 22 8.610 1.125 0.533 1.00 0.00 C ATOM 1184 C PHE B 22 10.098 1.012 0.267 1.00 0.00 C ATOM 1185 O PHE B 22 10.475 0.644 -0.846 1.00 0.00 O ATOM 1186 CB PHE B 22 8.038 -0.245 0.944 1.00 0.00 C ATOM 1187 CG PHE B 22 6.559 -0.235 1.301 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.585 -0.340 0.286 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.149 -0.103 2.643 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.216 -0.263 0.602 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.779 -0.061 2.959 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.813 -0.125 1.941 1.00 0.00 C ATOM 0 H PHE B 22 8.561 1.321 -1.538 1.00 0.00 H new ATOM 0 HA PHE B 22 8.369 1.794 1.359 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.196 -0.949 0.127 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.602 -0.617 1.799 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.892 -0.480 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.887 -0.034 3.429 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.476 -0.310 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.468 0.021 3.990 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.763 -0.068 2.187 1.00 0.00 H new ATOM 1202 N SER B 23 10.925 1.383 1.238 1.00 0.00 N ATOM 1203 CA SER B 23 12.374 1.309 1.107 1.00 0.00 C ATOM 1204 C SER B 23 12.788 -0.186 1.120 1.00 0.00 C ATOM 1205 O SER B 23 11.963 -1.028 1.474 1.00 0.00 O ATOM 1206 CB SER B 23 12.981 2.163 2.223 1.00 0.00 C ATOM 1207 OG SER B 23 12.324 3.418 2.356 1.00 0.00 O ATOM 0 H SER B 23 10.609 1.744 2.138 1.00 0.00 H new ATOM 0 HA SER B 23 12.750 1.712 0.167 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.920 1.621 3.167 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.039 2.328 2.018 1.00 0.00 H new ATOM 0 HG SER B 23 12.741 3.930 3.080 1.00 0.00 H new ATOM 1213 N PRO B 24 14.036 -0.566 0.788 1.00 0.00 N ATOM 1214 CA PRO B 24 14.441 -1.968 0.736 1.00 0.00 C ATOM 1215 C PRO B 24 14.437 -2.670 2.090 1.00 0.00 C ATOM 1216 O PRO B 24 14.024 -3.827 2.182 1.00 0.00 O ATOM 1217 CB PRO B 24 15.827 -1.973 0.081 1.00 0.00 C ATOM 1218 CG PRO B 24 16.381 -0.592 0.398 1.00 0.00 C ATOM 1219 CD PRO B 24 15.134 0.280 0.375 1.00 0.00 C ATOM 0 HA PRO B 24 13.717 -2.544 0.160 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.460 -2.761 0.489 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.761 -2.141 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.875 -0.567 1.369 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.114 -0.270 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.243 1.131 1.047 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.960 0.683 -0.623 1.00 0.00 H new ATOM 1227 N VAL B 25 14.900 -1.984 3.132 1.00 0.00 N ATOM 1228 CA VAL B 25 14.969 -2.512 4.487 1.00 0.00 C ATOM 1229 C VAL B 25 13.550 -2.731 5.024 1.00 0.00 C ATOM 1230 O VAL B 25 13.235 -3.774 5.590 1.00 0.00 O ATOM 1231 CB VAL B 25 15.771 -1.505 5.345 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.897 -1.944 6.809 1.00 0.00 C ATOM 1233 CG2 VAL B 25 17.186 -1.291 4.781 1.00 0.00 C ATOM 0 H VAL B 25 15.244 -1.027 3.054 1.00 0.00 H new ATOM 0 HA VAL B 25 15.473 -3.478 4.516 1.00 0.00 H new ATOM 0 HB VAL B 25 15.206 -0.573 5.306 1.00 0.00 H new ATOM 0 HG11 VAL B 25 16.469 -1.200 7.364 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.903 -2.039 7.247 1.00 0.00 H new ATOM 0 HG13 VAL B 25 16.408 -2.905 6.858 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.723 -0.578 5.407 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.721 -2.241 4.771 1.00 0.00 H new ATOM 0 HG23 VAL B 25 17.118 -0.902 3.765 1.00 0.00 H new ATOM 1243 N GLU B 26 12.682 -1.741 4.820 1.00 0.00 N ATOM 1244 CA GLU B 26 11.303 -1.743 5.278 1.00 0.00 C ATOM 1245 C GLU B 26 10.480 -2.789 4.530 1.00 0.00 C ATOM 1246 O GLU B 26 9.661 -3.479 5.133 1.00 0.00 O ATOM 1247 CB GLU B 26 10.806 -0.295 5.172 1.00 0.00 C ATOM 1248 CG GLU B 26 11.517 0.554 6.254 1.00 0.00 C ATOM 1249 CD GLU B 26 11.966 1.922 5.756 1.00 0.00 C ATOM 1250 OE1 GLU B 26 11.112 2.823 5.594 1.00 0.00 O ATOM 1251 OE2 GLU B 26 13.188 2.141 5.563 1.00 0.00 O ATOM 0 H GLU B 26 12.932 -0.891 4.315 1.00 0.00 H new ATOM 0 HA GLU B 26 11.201 -2.052 6.318 1.00 0.00 H new ATOM 0 HB2 GLU B 26 11.016 0.105 4.180 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.726 -0.255 5.310 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.843 0.688 7.100 1.00 0.00 H new ATOM 0 HG3 GLU B 26 12.385 0.007 6.621 1.00 0.00 H new ATOM 1258 N ASP B 27 10.723 -2.945 3.231 1.00 0.00 N ATOM 1259 CA ASP B 27 10.036 -3.926 2.407 1.00 0.00 C ATOM 1260 C ASP B 27 10.380 -5.330 2.875 1.00 0.00 C ATOM 1261 O ASP B 27 9.492 -6.179 2.962 1.00 0.00 O ATOM 1262 CB ASP B 27 10.501 -3.772 0.967 1.00 0.00 C ATOM 1263 CG ASP B 27 10.076 -4.971 0.117 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.870 -5.083 -0.200 1.00 0.00 O ATOM 1265 OD2 ASP B 27 10.946 -5.801 -0.238 1.00 0.00 O ATOM 0 H ASP B 27 11.408 -2.388 2.720 1.00 0.00 H new ATOM 0 HA ASP B 27 8.960 -3.768 2.484 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.086 -2.857 0.544 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.586 -3.671 0.941 1.00 0.00 H new ATOM 1270 N GLU B 28 11.664 -5.563 3.149 1.00 0.00 N ATOM 1271 CA GLU B 28 12.175 -6.836 3.615 1.00 0.00 C ATOM 1272 C GLU B 28 11.523 -7.145 4.963 1.00 0.00 C ATOM 1273 O GLU B 28 11.021 -8.251 5.136 1.00 0.00 O ATOM 1274 CB GLU B 28 13.706 -6.767 3.636 1.00 0.00 C ATOM 1275 CG GLU B 28 14.375 -8.092 4.004 1.00 0.00 C ATOM 1276 CD GLU B 28 15.838 -8.089 3.555 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.680 -7.467 4.248 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.149 -8.701 2.504 1.00 0.00 O ATOM 0 H GLU B 28 12.387 -4.851 3.048 1.00 0.00 H new ATOM 0 HA GLU B 28 11.922 -7.666 2.955 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.060 -6.451 2.655 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.017 -6.003 4.348 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.318 -8.250 5.081 1.00 0.00 H new ATOM 0 HG3 GLU B 28 13.844 -8.919 3.532 1.00 0.00 H new ATOM 1285 N THR B 29 11.459 -6.173 5.884 1.00 0.00 N ATOM 1286 CA THR B 29 10.834 -6.352 7.192 1.00 0.00 C ATOM 1287 C THR B 29 9.394 -6.816 6.982 1.00 0.00 C ATOM 1288 O THR B 29 9.002 -7.852 7.515 1.00 0.00 O ATOM 1289 CB THR B 29 10.896 -5.031 7.984 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.238 -4.734 8.316 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.066 -5.033 9.273 1.00 0.00 C ATOM 0 H THR B 29 11.842 -5.239 5.737 1.00 0.00 H new ATOM 0 HA THR B 29 11.364 -7.107 7.772 1.00 0.00 H new ATOM 0 HB THR B 29 10.467 -4.274 7.328 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.702 -4.390 7.524 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.164 -4.068 9.770 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.018 -5.212 9.031 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.425 -5.820 9.936 1.00 0.00 H new ATOM 1299 N ILE B 30 8.621 -6.085 6.176 1.00 0.00 N ATOM 1300 CA ILE B 30 7.234 -6.421 5.903 1.00 0.00 C ATOM 1301 C ILE B 30 7.141 -7.828 5.308 1.00 0.00 C ATOM 1302 O ILE B 30 6.237 -8.581 5.654 1.00 0.00 O ATOM 1303 CB ILE B 30 6.580 -5.325 5.036 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.422 -4.045 5.893 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.204 -5.789 4.517 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.048 -2.803 5.081 1.00 0.00 C ATOM 0 H ILE B 30 8.945 -5.245 5.697 1.00 0.00 H new ATOM 0 HA ILE B 30 6.662 -6.448 6.831 1.00 0.00 H new ATOM 0 HB ILE B 30 7.213 -5.120 4.172 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.657 -4.217 6.650 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.356 -3.855 6.422 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.760 -5.001 3.908 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.327 -6.688 3.914 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.551 -6.006 5.362 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.955 -1.946 5.749 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.824 -2.604 4.342 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.098 -2.972 4.574 1.00 0.00 H new ATOM 1318 N ARG B 31 8.048 -8.199 4.401 1.00 0.00 N ATOM 1319 CA ARG B 31 8.045 -9.514 3.767 1.00 0.00 C ATOM 1320 C ARG B 31 8.224 -10.613 4.809 1.00 0.00 C ATOM 1321 O ARG B 31 7.482 -11.594 4.784 1.00 0.00 O ATOM 1322 CB ARG B 31 9.142 -9.574 2.690 1.00 0.00 C ATOM 1323 CG ARG B 31 8.835 -10.628 1.623 1.00 0.00 C ATOM 1324 CD ARG B 31 10.000 -10.687 0.636 1.00 0.00 C ATOM 1325 NE ARG B 31 9.645 -11.409 -0.593 1.00 0.00 N ATOM 1326 CZ ARG B 31 9.949 -12.673 -0.906 1.00 0.00 C ATOM 1327 NH1 ARG B 31 10.489 -13.512 -0.034 1.00 0.00 N ATOM 1328 NH2 ARG B 31 9.735 -13.100 -2.142 1.00 0.00 N ATOM 0 H ARG B 31 8.806 -7.593 4.087 1.00 0.00 H new ATOM 0 HA ARG B 31 7.082 -9.677 3.284 1.00 0.00 H new ATOM 0 HB2 ARG B 31 9.241 -8.597 2.217 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.100 -9.800 3.159 1.00 0.00 H new ATOM 0 HG2 ARG B 31 8.685 -11.602 2.088 1.00 0.00 H new ATOM 0 HG3 ARG B 31 7.911 -10.378 1.101 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.313 -9.674 0.384 1.00 0.00 H new ATOM 0 HD3 ARG B 31 10.852 -11.175 1.110 1.00 0.00 H new ATOM 0 HE ARG B 31 9.106 -10.888 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG B 31 10.688 -13.201 0.917 1.00 0.00 H new ATOM 0 HH12 ARG B 31 10.706 -14.469 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG B 31 9.343 -12.467 -2.840 1.00 0.00 H new ATOM 0 HH22 ARG B 31 9.962 -14.062 -2.396 1.00 0.00 H new ATOM 1342 N LYS B 32 9.198 -10.458 5.708 1.00 0.00 N ATOM 1343 CA LYS B 32 9.480 -11.438 6.751 1.00 0.00 C ATOM 1344 C LYS B 32 8.313 -11.530 7.725 1.00 0.00 C ATOM 1345 O LYS B 32 7.896 -12.636 8.067 1.00 0.00 O ATOM 1346 CB LYS B 32 10.774 -11.081 7.503 1.00 0.00 C ATOM 1347 CG LYS B 32 12.043 -11.660 6.862 1.00 0.00 C ATOM 1348 CD LYS B 32 12.515 -10.959 5.584 1.00 0.00 C ATOM 1349 CE LYS B 32 13.841 -11.533 5.069 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.974 -11.199 5.955 1.00 0.00 N ATOM 0 H LYS B 32 9.814 -9.645 5.731 1.00 0.00 H new ATOM 0 HA LYS B 32 9.617 -12.409 6.275 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.866 -9.996 7.554 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.699 -11.443 8.529 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.849 -11.623 7.595 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.867 -12.712 6.635 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.752 -11.060 4.812 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.633 -9.893 5.778 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.757 -12.616 4.982 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.038 -11.147 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.867 -11.457 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.970 -10.178 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.884 -11.726 6.847 1.00 0.00 H new ATOM 1364 N LYS B 33 7.793 -10.387 8.184 1.00 0.00 N ATOM 1365 CA LYS B 33 6.679 -10.353 9.126 1.00 0.00 C ATOM 1366 C LYS B 33 5.474 -11.057 8.507 1.00 0.00 C ATOM 1367 O LYS B 33 4.878 -11.917 9.152 1.00 0.00 O ATOM 1368 CB LYS B 33 6.333 -8.905 9.520 1.00 0.00 C ATOM 1369 CG LYS B 33 7.434 -8.162 10.299 1.00 0.00 C ATOM 1370 CD LYS B 33 7.498 -8.475 11.803 1.00 0.00 C ATOM 1371 CE LYS B 33 6.335 -7.926 12.645 1.00 0.00 C ATOM 1372 NZ LYS B 33 6.160 -6.463 12.494 1.00 0.00 N ATOM 0 H LYS B 33 8.134 -9.465 7.912 1.00 0.00 H new ATOM 0 HA LYS B 33 6.966 -10.876 10.038 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.107 -8.342 8.614 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.426 -8.916 10.124 1.00 0.00 H new ATOM 0 HG2 LYS B 33 8.399 -8.404 9.853 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.285 -7.090 10.174 1.00 0.00 H new ATOM 0 HD2 LYS B 33 7.536 -9.557 11.930 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.431 -8.075 12.200 1.00 0.00 H new ATOM 0 HE2 LYS B 33 5.413 -8.430 12.355 1.00 0.00 H new ATOM 0 HE3 LYS B 33 6.510 -8.160 13.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 5.918 -6.045 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.044 -6.042 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 5.394 -6.273 11.816 1.00 0.00 H new ATOM 1386 N ALA B 34 5.137 -10.721 7.261 1.00 0.00 N ATOM 1387 CA ALA B 34 4.018 -11.288 6.522 1.00 0.00 C ATOM 1388 C ALA B 34 4.142 -12.806 6.361 1.00 0.00 C ATOM 1389 O ALA B 34 3.202 -13.552 6.647 1.00 0.00 O ATOM 1390 CB ALA B 34 3.955 -10.606 5.153 1.00 0.00 C ATOM 0 H ALA B 34 5.654 -10.024 6.725 1.00 0.00 H new ATOM 0 HA ALA B 34 3.099 -11.110 7.081 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.123 -11.015 4.580 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.811 -9.534 5.287 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.887 -10.782 4.615 1.00 0.00 H new ATOM 1396 N GLU B 35 5.308 -13.264 5.908 1.00 0.00 N ATOM 1397 CA GLU B 35 5.608 -14.673 5.681 1.00 0.00 C ATOM 1398 C GLU B 35 5.379 -15.485 6.953 1.00 0.00 C ATOM 1399 O GLU B 35 4.709 -16.519 6.920 1.00 0.00 O ATOM 1400 CB GLU B 35 7.071 -14.795 5.210 1.00 0.00 C ATOM 1401 CG GLU B 35 7.554 -16.227 4.943 1.00 0.00 C ATOM 1402 CD GLU B 35 7.018 -16.786 3.628 1.00 0.00 C ATOM 1403 OE1 GLU B 35 5.812 -17.099 3.518 1.00 0.00 O ATOM 1404 OE2 GLU B 35 7.794 -16.880 2.643 1.00 0.00 O ATOM 0 H GLU B 35 6.089 -12.648 5.684 1.00 0.00 H new ATOM 0 HA GLU B 35 4.943 -15.071 4.915 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.192 -14.212 4.297 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.717 -14.345 5.964 1.00 0.00 H new ATOM 0 HG2 GLU B 35 8.644 -16.242 4.924 1.00 0.00 H new ATOM 0 HG3 GLU B 35 7.240 -16.872 5.764 1.00 0.00 H new ATOM 1411 N ASP B 36 5.944 -15.007 8.062 1.00 0.00 N ATOM 1412 CA ASP B 36 5.858 -15.650 9.363 1.00 0.00 C ATOM 1413 C ASP B 36 4.441 -15.613 9.922 1.00 0.00 C ATOM 1414 O ASP B 36 3.954 -16.608 10.463 1.00 0.00 O ATOM 1415 CB ASP B 36 6.816 -14.949 10.330 1.00 0.00 C ATOM 1416 CG ASP B 36 6.500 -15.334 11.769 1.00 0.00 C ATOM 1417 OD1 ASP B 36 6.909 -16.437 12.190 1.00 0.00 O ATOM 1418 OD2 ASP B 36 5.819 -14.537 12.455 1.00 0.00 O ATOM 0 H ASP B 36 6.485 -14.142 8.076 1.00 0.00 H new ATOM 0 HA ASP B 36 6.136 -16.697 9.246 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.845 -15.221 10.092 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.736 -13.869 10.211 1.00 0.00 H new ATOM 1423 N SER B 37 3.794 -14.455 9.805 1.00 0.00 N ATOM 1424 CA SER B 37 2.448 -14.218 10.283 1.00 0.00 C ATOM 1425 C SER B 37 1.436 -15.053 9.501 1.00 0.00 C ATOM 1426 O SER B 37 0.331 -15.280 9.997 1.00 0.00 O ATOM 1427 CB SER B 37 2.159 -12.709 10.189 1.00 0.00 C ATOM 1428 OG SER B 37 0.912 -12.322 10.726 1.00 0.00 O ATOM 0 H SER B 37 4.211 -13.637 9.361 1.00 0.00 H new ATOM 0 HA SER B 37 2.357 -14.529 11.324 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.949 -12.167 10.708 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.200 -12.408 9.142 1.00 0.00 H new ATOM 0 HG SER B 37 0.802 -11.353 10.631 1.00 0.00 H new ATOM 1434 N GLY B 38 1.803 -15.547 8.313 1.00 0.00 N ATOM 1435 CA GLY B 38 0.897 -16.333 7.503 1.00 0.00 C ATOM 1436 C GLY B 38 -0.173 -15.442 6.873 1.00 0.00 C ATOM 1437 O GLY B 38 -1.245 -15.922 6.505 1.00 0.00 O ATOM 0 H GLY B 38 2.726 -15.410 7.900 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.454 -16.849 6.721 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.424 -17.100 8.117 1.00 0.00 H new ATOM 1441 N LEU B 39 0.103 -14.138 6.790 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.735 -13.098 6.232 1.00 0.00 C ATOM 1443 C LEU B 39 0.119 -12.528 5.121 1.00 0.00 C ATOM 1444 O LEU B 39 1.121 -11.886 5.421 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.089 -12.017 7.274 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.900 -12.502 8.489 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.220 -11.302 9.389 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.209 -13.200 8.107 1.00 0.00 C ATOM 0 H LEU B 39 0.985 -13.764 7.140 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.698 -13.476 5.888 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.163 -11.568 7.634 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.653 -11.228 6.775 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.285 -13.238 9.007 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.795 -11.638 10.252 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.291 -10.843 9.728 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.802 -10.571 8.828 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.730 -13.516 9.011 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.840 -12.509 7.547 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.990 -14.072 7.491 1.00 0.00 H new ATOM 1460 N THR B 40 -0.219 -12.791 3.856 1.00 0.00 N ATOM 1461 CA THR B 40 0.534 -12.298 2.704 1.00 0.00 C ATOM 1462 C THR B 40 0.749 -10.783 2.842 1.00 0.00 C ATOM 1463 O THR B 40 -0.037 -10.109 3.499 1.00 0.00 O ATOM 1464 CB THR B 40 -0.169 -12.742 1.410 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.597 -12.421 0.261 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.568 -12.137 1.252 1.00 0.00 C ATOM 0 H THR B 40 -1.029 -13.356 3.603 1.00 0.00 H new ATOM 0 HA THR B 40 1.534 -12.731 2.660 1.00 0.00 H new ATOM 0 HB THR B 40 -0.269 -13.824 1.496 1.00 0.00 H new ATOM 0 HG1 THR B 40 0.122 -12.719 -0.543 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.013 -12.487 0.321 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.194 -12.443 2.091 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.494 -11.050 1.232 1.00 0.00 H new ATOM 1474 N VAL B 41 1.773 -10.217 2.201 1.00 0.00 N ATOM 1475 CA VAL B 41 2.130 -8.800 2.275 1.00 0.00 C ATOM 1476 C VAL B 41 0.913 -7.872 2.146 1.00 0.00 C ATOM 1477 O VAL B 41 0.794 -6.924 2.921 1.00 0.00 O ATOM 1478 CB VAL B 41 3.269 -8.508 1.274 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.605 -7.018 1.200 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.556 -9.255 1.664 1.00 0.00 C ATOM 0 H VAL B 41 2.397 -10.751 1.596 1.00 0.00 H new ATOM 0 HA VAL B 41 2.510 -8.577 3.272 1.00 0.00 H new ATOM 0 HB VAL B 41 2.907 -8.849 0.304 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.411 -6.862 0.483 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.724 -6.462 0.881 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.920 -6.667 2.183 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.340 -9.030 0.941 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.875 -8.937 2.656 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.366 -10.328 1.671 1.00 0.00 H new ATOM 1490 N SER B 42 -0.006 -8.128 1.214 1.00 0.00 N ATOM 1491 CA SER B 42 -1.183 -7.283 1.061 1.00 0.00 C ATOM 1492 C SER B 42 -2.114 -7.350 2.288 1.00 0.00 C ATOM 1493 O SER B 42 -2.617 -6.311 2.724 1.00 0.00 O ATOM 1494 CB SER B 42 -1.901 -7.601 -0.255 1.00 0.00 C ATOM 1495 OG SER B 42 -2.046 -8.999 -0.453 1.00 0.00 O ATOM 0 H SER B 42 0.044 -8.909 0.560 1.00 0.00 H new ATOM 0 HA SER B 42 -0.853 -6.246 1.008 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.884 -7.130 -0.255 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.342 -7.172 -1.087 1.00 0.00 H new ATOM 0 HG SER B 42 -2.509 -9.163 -1.301 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.338 -8.557 2.825 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.167 -8.824 3.996 1.00 0.00 C ATOM 1503 C ALA B 43 -2.510 -8.197 5.220 1.00 0.00 C ATOM 1504 O ALA B 43 -3.168 -7.523 6.004 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.331 -10.333 4.218 1.00 0.00 C ATOM 0 H ALA B 43 -1.927 -9.405 2.435 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.155 -8.393 3.835 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.953 -10.506 5.096 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.805 -10.780 3.344 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.352 -10.787 4.371 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.200 -8.396 5.350 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.374 -7.892 6.421 1.00 0.00 C ATOM 1513 C TYR B 44 -0.513 -6.371 6.492 1.00 0.00 C ATOM 1514 O TYR B 44 -0.827 -5.826 7.545 1.00 0.00 O ATOM 1515 CB TYR B 44 1.068 -8.348 6.180 1.00 0.00 C ATOM 1516 CG TYR B 44 1.985 -7.931 7.297 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.103 -8.744 8.438 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.626 -6.681 7.242 1.00 0.00 C ATOM 1519 CE1 TYR B 44 2.806 -8.276 9.557 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.369 -6.225 8.340 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.428 -7.009 9.515 1.00 0.00 C ATOM 1522 OH TYR B 44 4.059 -6.541 10.619 1.00 0.00 O ATOM 0 H TYR B 44 -0.669 -8.942 4.672 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.689 -8.286 7.387 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.093 -9.433 6.077 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.428 -7.930 5.240 1.00 0.00 H new ATOM 0 HD1 TYR B 44 1.654 -9.726 8.452 1.00 0.00 H new ATOM 0 HD2 TYR B 44 2.546 -6.072 6.354 1.00 0.00 H new ATOM 0 HE1 TYR B 44 2.872 -8.883 10.448 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.892 -5.282 8.289 1.00 0.00 H new ATOM 0 HH TYR B 44 4.222 -5.580 10.520 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.333 -5.684 5.356 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.443 -4.233 5.269 1.00 0.00 C ATOM 1534 C ILE B 45 -1.805 -3.758 5.768 1.00 0.00 C ATOM 1535 O ILE B 45 -1.864 -2.925 6.667 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.171 -3.746 3.822 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.333 -3.786 3.487 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.742 -2.334 3.563 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.142 -2.669 4.144 1.00 0.00 C ATOM 0 H ILE B 45 -0.105 -6.130 4.467 1.00 0.00 H new ATOM 0 HA ILE B 45 0.317 -3.795 5.916 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.691 -4.439 3.160 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.740 -4.748 3.799 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.456 -3.723 2.406 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.526 -2.037 2.537 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.821 -2.344 3.719 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.282 -1.624 4.250 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.190 -2.764 3.861 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.763 -1.702 3.813 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.051 -2.743 5.228 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.892 -4.228 5.147 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.230 -3.799 5.552 1.00 0.00 C ATOM 1553 C ARG B 46 -4.480 -4.099 7.022 1.00 0.00 C ATOM 1554 O ARG B 46 -4.898 -3.198 7.732 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.337 -4.322 4.619 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.542 -5.843 4.660 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.489 -6.351 3.577 1.00 0.00 C ATOM 1558 NE ARG B 46 -7.840 -5.786 3.715 1.00 0.00 N ATOM 1559 CZ ARG B 46 -8.668 -5.441 2.724 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.292 -5.518 1.449 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -9.880 -4.990 3.002 1.00 0.00 N ATOM 0 H ARG B 46 -2.871 -4.894 4.375 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.271 -2.715 5.443 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.276 -3.835 4.882 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.101 -4.028 3.596 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.576 -6.336 4.550 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.934 -6.124 5.637 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -6.088 -6.096 2.596 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -6.544 -7.439 3.625 1.00 0.00 H new ATOM 0 HE ARG B 46 -8.180 -5.643 4.666 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.355 -5.846 1.212 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.941 -5.249 0.709 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -10.183 -4.906 3.972 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -10.512 -4.727 2.246 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.203 -5.314 7.487 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.418 -5.697 8.871 1.00 0.00 C ATOM 1577 C ASN B 47 -3.688 -4.747 9.817 1.00 0.00 C ATOM 1578 O ASN B 47 -4.333 -4.131 10.665 1.00 0.00 O ATOM 1579 CB ASN B 47 -3.990 -7.149 9.106 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.006 -7.428 10.600 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.018 -7.232 11.261 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -2.884 -7.825 11.156 1.00 0.00 N ATOM 0 H ASN B 47 -3.821 -6.062 6.908 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.485 -5.624 9.083 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.665 -7.830 8.588 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.992 -7.319 8.701 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -2.840 -7.978 12.164 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.057 -7.980 10.580 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.371 -4.592 9.645 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.546 -3.727 10.480 1.00 0.00 C ATOM 1591 C ALA B 48 -1.990 -2.262 10.438 1.00 0.00 C ATOM 1592 O ALA B 48 -1.736 -1.528 11.393 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.075 -3.842 10.056 1.00 0.00 C ATOM 0 H ALA B 48 -1.847 -5.071 8.913 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.666 -4.066 11.509 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.536 -3.193 10.683 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.257 -4.874 10.169 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.028 -3.540 9.014 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.621 -1.829 9.343 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.106 -0.465 9.162 1.00 0.00 C ATOM 1601 C ALA B 49 -4.489 -0.232 9.781 1.00 0.00 C ATOM 1602 O ALA B 49 -4.916 0.916 9.900 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.172 -0.158 7.672 1.00 0.00 C ATOM 0 H ALA B 49 -2.811 -2.432 8.543 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.408 0.197 9.675 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.534 0.860 7.526 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.178 -0.256 7.236 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.852 -0.858 7.186 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.204 -1.286 10.173 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.527 -1.177 10.778 1.00 0.00 C ATOM 1611 C LEU B 50 -6.497 -1.548 12.258 1.00 0.00 C ATOM 1612 O LEU B 50 -7.307 -1.037 13.035 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.476 -2.159 10.091 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.640 -1.929 8.583 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.079 -3.255 7.964 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.605 -0.784 8.299 1.00 0.00 C ATOM 0 H LEU B 50 -4.876 -2.247 10.078 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.856 -0.144 10.664 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.111 -3.173 10.254 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.455 -2.092 10.565 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.698 -1.620 8.130 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.206 -3.130 6.889 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.320 -4.014 8.154 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.024 -3.568 8.407 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.699 -0.646 7.222 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.582 -1.018 8.722 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.225 0.133 8.750 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.583 -2.444 12.629 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.388 -2.964 13.979 1.00 0.00 C ATOM 1630 C ASN B 51 -4.050 -2.498 14.521 1.00 0.00 C ATOM 1631 O ASN B 51 -3.974 -1.343 14.990 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.490 -4.504 13.990 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.836 -5.008 13.511 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -7.706 -5.351 14.310 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -7.030 -5.061 12.207 1.00 0.00 N ATOM 0 H ASN B 51 -4.926 -2.846 11.961 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.176 -2.578 14.626 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.706 -4.920 13.357 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.310 -4.868 15.002 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.921 -5.393 11.837 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.289 -4.770 11.569 1.00 0.00 H new TER 1642 ASN B 51