USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot 161:sc= 0.893 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 TYR OH : rot -172:sc= 0.964 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 179:sc= 0.995 (180deg=1.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 22:sc= 0.63 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 15 TYR OH : rot -150:sc= 0.526 USER MOD Single : A 20 SER OG : rot -117:sc= 0.301 USER MOD Single : A 21 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.65) USER MOD Single : A 25 GLN : amide:sc= -0.802 K(o=-0.8,f=0) USER MOD Single : A 29 SER OG : rot 83:sc= 1.27 USER MOD Single : A 30 MET CE :methyl -156:sc= -1.38 (180deg=-2.58) USER MOD Single : A 51 GLN : amide:sc= -0.443 K(o=-0.44,f=-3.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 56 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.27) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0775 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.078 -10.821 -19.595 1.00 0.00 N ATOM 2 CA MET A 1 19.136 -11.365 -20.603 1.00 0.00 C ATOM 3 C MET A 1 17.774 -10.697 -20.470 1.00 0.00 C ATOM 4 O MET A 1 17.231 -10.174 -21.444 1.00 0.00 O ATOM 5 CB MET A 1 18.989 -12.884 -20.437 1.00 0.00 C ATOM 6 CG MET A 1 18.070 -13.526 -21.464 1.00 0.00 C ATOM 7 SD MET A 1 18.610 -13.229 -23.159 1.00 0.00 S ATOM 8 CE MET A 1 17.357 -14.126 -24.072 1.00 0.00 C ATOM 0 H1 MET A 1 21.003 -11.286 -19.698 1.00 0.00 H new ATOM 0 H2 MET A 1 20.187 -9.797 -19.739 1.00 0.00 H new ATOM 0 H3 MET A 1 19.705 -10.998 -18.640 1.00 0.00 H new ATOM 0 HA MET A 1 19.538 -11.157 -21.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.974 -13.345 -20.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.607 -13.096 -19.438 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.024 -14.600 -21.284 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.060 -13.138 -21.335 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.553 -14.038 -25.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.380 -15.177 -23.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.375 -13.710 -23.847 1.00 0.00 H new ATOM 17 N SER A 2 17.224 -10.711 -19.264 1.00 0.00 N ATOM 18 CA SER A 2 15.935 -10.086 -19.013 1.00 0.00 C ATOM 19 C SER A 2 16.085 -8.943 -18.011 1.00 0.00 C ATOM 20 O SER A 2 16.429 -9.166 -16.847 1.00 0.00 O ATOM 21 CB SER A 2 14.938 -11.130 -18.492 1.00 0.00 C ATOM 22 OG SER A 2 14.804 -12.207 -19.413 1.00 0.00 O ATOM 0 H SER A 2 17.650 -11.147 -18.446 1.00 0.00 H new ATOM 0 HA SER A 2 15.554 -9.675 -19.948 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.274 -11.510 -17.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.967 -10.662 -18.329 1.00 0.00 H new ATOM 0 HG SER A 2 14.165 -12.861 -19.060 1.00 0.00 H new ATOM 28 N ALA A 3 15.853 -7.722 -18.470 1.00 0.00 N ATOM 29 CA ALA A 3 15.956 -6.555 -17.610 1.00 0.00 C ATOM 30 C ALA A 3 14.641 -6.305 -16.888 1.00 0.00 C ATOM 31 O ALA A 3 13.585 -6.726 -17.363 1.00 0.00 O ATOM 32 CB ALA A 3 16.358 -5.334 -18.424 1.00 0.00 C ATOM 0 H ALA A 3 15.592 -7.515 -19.434 1.00 0.00 H new ATOM 0 HA ALA A 3 16.726 -6.743 -16.862 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.431 -4.467 -17.767 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.323 -5.514 -18.897 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.607 -5.145 -19.192 1.00 0.00 H new ATOM 38 N LEU A 4 14.722 -5.612 -15.751 1.00 0.00 N ATOM 39 CA LEU A 4 13.561 -5.339 -14.898 1.00 0.00 C ATOM 40 C LEU A 4 12.958 -6.649 -14.389 1.00 0.00 C ATOM 41 O LEU A 4 12.196 -7.323 -15.087 1.00 0.00 O ATOM 42 CB LEU A 4 12.508 -4.490 -15.638 1.00 0.00 C ATOM 43 CG LEU A 4 11.427 -3.834 -14.757 1.00 0.00 C ATOM 44 CD1 LEU A 4 10.779 -2.672 -15.491 1.00 0.00 C ATOM 45 CD2 LEU A 4 10.358 -4.839 -14.348 1.00 0.00 C ATOM 0 H LEU A 4 15.595 -5.223 -15.394 1.00 0.00 H new ATOM 0 HA LEU A 4 13.898 -4.759 -14.039 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.026 -3.704 -16.189 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.013 -5.123 -16.375 1.00 0.00 H new ATOM 0 HG LEU A 4 11.917 -3.466 -13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.018 -2.219 -14.856 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.537 -1.928 -15.735 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.317 -3.034 -16.409 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.611 -4.344 -13.728 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.879 -5.243 -15.240 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.818 -5.650 -13.784 1.00 0.00 H new ATOM 57 N GLN A 5 13.314 -7.011 -13.170 1.00 0.00 N ATOM 58 CA GLN A 5 12.826 -8.241 -12.579 1.00 0.00 C ATOM 59 C GLN A 5 12.167 -7.961 -11.232 1.00 0.00 C ATOM 60 O GLN A 5 12.762 -7.327 -10.355 1.00 0.00 O ATOM 61 CB GLN A 5 13.966 -9.255 -12.431 1.00 0.00 C ATOM 62 CG GLN A 5 15.169 -8.736 -11.658 1.00 0.00 C ATOM 63 CD GLN A 5 16.274 -9.766 -11.535 1.00 0.00 C ATOM 64 OE1 GLN A 5 16.448 -10.620 -12.405 1.00 0.00 O ATOM 65 NE2 GLN A 5 17.027 -9.698 -10.450 1.00 0.00 N ATOM 0 H GLN A 5 13.939 -6.471 -12.571 1.00 0.00 H new ATOM 0 HA GLN A 5 12.075 -8.671 -13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.583 -10.144 -11.930 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.293 -9.564 -13.424 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.559 -7.848 -12.155 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.851 -8.430 -10.661 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.851 -8.976 -9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.783 -10.368 -10.311 1.00 0.00 H new ATOM 74 N PRO A 6 10.912 -8.396 -11.065 1.00 0.00 N ATOM 75 CA PRO A 6 10.202 -8.271 -9.795 1.00 0.00 C ATOM 76 C PRO A 6 10.902 -9.074 -8.707 1.00 0.00 C ATOM 77 O PRO A 6 11.032 -10.294 -8.806 1.00 0.00 O ATOM 78 CB PRO A 6 8.816 -8.852 -10.082 1.00 0.00 C ATOM 79 CG PRO A 6 8.694 -8.877 -11.570 1.00 0.00 C ATOM 80 CD PRO A 6 10.089 -9.041 -12.097 1.00 0.00 C ATOM 0 HA PRO A 6 10.160 -7.241 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 6 8.716 -9.853 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.033 -8.240 -9.634 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.055 -9.698 -11.895 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.243 -7.956 -11.940 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.351 -10.091 -12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.212 -8.562 -13.068 1.00 0.00 H new ATOM 88 N SER A 7 11.349 -8.390 -7.674 1.00 0.00 N ATOM 89 CA SER A 7 12.201 -9.007 -6.675 1.00 0.00 C ATOM 90 C SER A 7 11.452 -9.248 -5.371 1.00 0.00 C ATOM 91 O SER A 7 11.259 -10.393 -4.957 1.00 0.00 O ATOM 92 CB SER A 7 13.423 -8.119 -6.435 1.00 0.00 C ATOM 93 OG SER A 7 14.257 -8.629 -5.411 1.00 0.00 O ATOM 0 H SER A 7 11.137 -7.407 -7.503 1.00 0.00 H new ATOM 0 HA SER A 7 12.522 -9.980 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.995 -8.032 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.094 -7.115 -6.168 1.00 0.00 H new ATOM 0 HG SER A 7 15.027 -8.035 -5.290 1.00 0.00 H new ATOM 99 N ARG A 8 11.011 -8.172 -4.743 1.00 0.00 N ATOM 100 CA ARG A 8 10.450 -8.257 -3.410 1.00 0.00 C ATOM 101 C ARG A 8 8.958 -7.973 -3.440 1.00 0.00 C ATOM 102 O ARG A 8 8.483 -7.151 -4.231 1.00 0.00 O ATOM 103 CB ARG A 8 11.189 -7.277 -2.499 1.00 0.00 C ATOM 104 CG ARG A 8 10.875 -7.409 -1.019 1.00 0.00 C ATOM 105 CD ARG A 8 11.935 -6.695 -0.197 1.00 0.00 C ATOM 106 NE ARG A 8 11.695 -6.777 1.241 1.00 0.00 N ATOM 107 CZ ARG A 8 12.105 -7.783 2.013 1.00 0.00 C ATOM 108 NH1 ARG A 8 12.686 -8.857 1.482 1.00 0.00 N ATOM 109 NH2 ARG A 8 11.931 -7.719 3.324 1.00 0.00 N ATOM 0 H ARG A 8 11.031 -7.231 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 8 10.577 -9.266 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.261 -7.412 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.951 -6.261 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.893 -6.985 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.835 -8.462 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.911 -7.125 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.972 -5.647 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 8 11.180 -6.015 1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.822 -8.917 0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.995 -9.620 2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.484 -6.902 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.243 -8.487 3.918 1.00 0.00 H new ATOM 123 N SER A 9 8.229 -8.664 -2.590 1.00 0.00 N ATOM 124 CA SER A 9 6.790 -8.513 -2.528 1.00 0.00 C ATOM 125 C SER A 9 6.369 -8.123 -1.116 1.00 0.00 C ATOM 126 O SER A 9 6.916 -8.625 -0.133 1.00 0.00 O ATOM 127 CB SER A 9 6.101 -9.812 -2.961 1.00 0.00 C ATOM 128 OG SER A 9 4.705 -9.626 -3.123 1.00 0.00 O ATOM 0 H SER A 9 8.611 -9.340 -1.929 1.00 0.00 H new ATOM 0 HA SER A 9 6.485 -7.721 -3.212 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.535 -10.161 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.283 -10.588 -2.217 1.00 0.00 H new ATOM 0 HG SER A 9 4.516 -8.675 -3.267 1.00 0.00 H new ATOM 134 N TYR A 10 5.410 -7.216 -1.023 1.00 0.00 N ATOM 135 CA TYR A 10 4.935 -6.724 0.260 1.00 0.00 C ATOM 136 C TYR A 10 3.474 -7.099 0.440 1.00 0.00 C ATOM 137 O TYR A 10 2.679 -6.921 -0.476 1.00 0.00 O ATOM 138 CB TYR A 10 5.075 -5.197 0.332 1.00 0.00 C ATOM 139 CG TYR A 10 6.365 -4.664 -0.252 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.539 -4.641 0.491 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.399 -4.167 -1.551 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.712 -4.146 -0.049 1.00 0.00 C ATOM 143 CE2 TYR A 10 7.567 -3.671 -2.095 1.00 0.00 C ATOM 144 CZ TYR A 10 8.719 -3.658 -1.340 1.00 0.00 C ATOM 145 OH TYR A 10 9.881 -3.157 -1.882 1.00 0.00 O ATOM 0 H TYR A 10 4.941 -6.802 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 10 5.535 -7.175 1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.236 -4.741 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.005 -4.886 1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.535 -5.015 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.496 -4.169 -2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.619 -4.141 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.577 -3.295 -3.107 1.00 0.00 H new ATOM 0 HH TYR A 10 9.711 -2.856 -2.799 1.00 0.00 H new ATOM 155 N ARG A 11 3.114 -7.626 1.597 1.00 0.00 N ATOM 156 CA ARG A 11 1.715 -7.920 1.869 1.00 0.00 C ATOM 157 C ARG A 11 1.143 -6.855 2.777 1.00 0.00 C ATOM 158 O ARG A 11 1.874 -6.176 3.498 1.00 0.00 O ATOM 159 CB ARG A 11 1.529 -9.304 2.502 1.00 0.00 C ATOM 160 CG ARG A 11 1.581 -9.316 4.026 1.00 0.00 C ATOM 161 CD ARG A 11 1.796 -10.715 4.581 1.00 0.00 C ATOM 162 NE ARG A 11 3.208 -11.097 4.558 1.00 0.00 N ATOM 163 CZ ARG A 11 3.663 -12.319 4.842 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.824 -13.300 5.149 1.00 0.00 N ATOM 165 NH2 ARG A 11 4.968 -12.555 4.830 1.00 0.00 N ATOM 0 H ARG A 11 3.758 -7.857 2.354 1.00 0.00 H new ATOM 0 HA ARG A 11 1.183 -7.924 0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.570 -9.710 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.302 -9.971 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.386 -8.664 4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.651 -8.908 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.423 -10.761 5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.216 -11.431 3.998 1.00 0.00 H new ATOM 0 HE ARG A 11 3.890 -10.381 4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.819 -13.124 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.184 -14.230 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.620 -11.804 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.320 -13.488 5.047 1.00 0.00 H new ATOM 179 N ILE A 12 -0.160 -6.723 2.748 1.00 0.00 N ATOM 180 CA ILE A 12 -0.825 -5.711 3.549 1.00 0.00 C ATOM 181 C ILE A 12 -1.498 -6.357 4.750 1.00 0.00 C ATOM 182 O ILE A 12 -2.422 -7.152 4.591 1.00 0.00 O ATOM 183 CB ILE A 12 -1.888 -4.940 2.737 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.331 -4.518 1.373 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.370 -3.722 3.518 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.335 -3.793 0.502 1.00 0.00 C ATOM 0 H ILE A 12 -0.784 -7.298 2.183 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.062 -5.005 3.876 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.737 -5.603 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.466 -3.874 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.978 -5.404 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.119 -3.188 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.809 -4.045 4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.527 -3.061 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.868 -3.526 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.191 -4.442 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.670 -2.888 1.009 1.00 0.00 H new ATOM 198 N THR A 13 -1.032 -6.029 5.945 1.00 0.00 N ATOM 199 CA THR A 13 -1.625 -6.572 7.156 1.00 0.00 C ATOM 200 C THR A 13 -2.700 -5.645 7.708 1.00 0.00 C ATOM 201 O THR A 13 -3.520 -6.054 8.533 1.00 0.00 O ATOM 202 CB THR A 13 -0.561 -6.837 8.234 1.00 0.00 C ATOM 203 OG1 THR A 13 0.448 -5.818 8.200 1.00 0.00 O ATOM 204 CG2 THR A 13 0.071 -8.205 8.041 1.00 0.00 C ATOM 0 H THR A 13 -0.250 -5.393 6.102 1.00 0.00 H new ATOM 0 HA THR A 13 -2.087 -7.522 6.886 1.00 0.00 H new ATOM 0 HB THR A 13 -1.050 -6.817 9.208 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.118 -5.998 8.892 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.821 -8.372 8.814 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.698 -8.974 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.545 -8.252 7.060 1.00 0.00 H new ATOM 212 N GLY A 14 -2.702 -4.399 7.246 1.00 0.00 N ATOM 213 CA GLY A 14 -3.710 -3.458 7.679 1.00 0.00 C ATOM 214 C GLY A 14 -3.346 -2.032 7.339 1.00 0.00 C ATOM 215 O GLY A 14 -2.592 -1.781 6.396 1.00 0.00 O ATOM 0 H GLY A 14 -2.024 -4.028 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.663 -3.709 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.849 -3.548 8.756 1.00 0.00 H new ATOM 219 N TYR A 15 -3.872 -1.102 8.113 1.00 0.00 N ATOM 220 CA TYR A 15 -3.628 0.314 7.890 1.00 0.00 C ATOM 221 C TYR A 15 -2.959 0.916 9.111 1.00 0.00 C ATOM 222 O TYR A 15 -3.135 0.422 10.224 1.00 0.00 O ATOM 223 CB TYR A 15 -4.939 1.055 7.626 1.00 0.00 C ATOM 224 CG TYR A 15 -5.761 0.496 6.485 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.640 -0.563 6.689 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.673 1.038 5.209 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.400 -1.067 5.653 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.434 0.540 4.169 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.296 -0.509 4.397 1.00 0.00 C ATOM 230 OH TYR A 15 -8.060 -1.003 3.368 1.00 0.00 O ATOM 0 H TYR A 15 -4.477 -1.303 8.909 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.980 0.416 7.019 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.541 1.035 8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.714 2.101 7.416 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.729 -0.998 7.674 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.999 1.862 5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.073 -1.894 5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.353 0.971 3.182 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.584 -0.883 2.520 1.00 0.00 H new ATOM 240 N SER A 16 -2.201 1.978 8.906 1.00 0.00 N ATOM 241 CA SER A 16 -1.569 2.672 10.000 1.00 0.00 C ATOM 242 C SER A 16 -2.635 3.354 10.857 1.00 0.00 C ATOM 243 O SER A 16 -3.583 3.929 10.326 1.00 0.00 O ATOM 244 CB SER A 16 -0.582 3.691 9.438 1.00 0.00 C ATOM 245 OG SER A 16 0.356 3.060 8.583 1.00 0.00 O ATOM 0 H SER A 16 -2.011 2.376 7.986 1.00 0.00 H new ATOM 0 HA SER A 16 -1.025 1.968 10.630 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.121 4.462 8.888 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.060 4.188 10.255 1.00 0.00 H new ATOM 0 HG SER A 16 0.772 3.731 8.002 1.00 0.00 H new ATOM 251 N PRO A 17 -2.500 3.302 12.192 1.00 0.00 N ATOM 252 CA PRO A 17 -3.513 3.840 13.118 1.00 0.00 C ATOM 253 C PRO A 17 -3.663 5.363 13.041 1.00 0.00 C ATOM 254 O PRO A 17 -4.379 5.967 13.839 1.00 0.00 O ATOM 255 CB PRO A 17 -2.994 3.426 14.499 1.00 0.00 C ATOM 256 CG PRO A 17 -1.532 3.212 14.313 1.00 0.00 C ATOM 257 CD PRO A 17 -1.363 2.701 12.910 1.00 0.00 C ATOM 0 HA PRO A 17 -4.505 3.456 12.880 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.188 4.200 15.242 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.484 2.518 14.849 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.980 4.141 14.459 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.147 2.495 15.038 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.409 3.009 12.482 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.393 1.612 12.872 1.00 0.00 H new ATOM 265 N ALA A 18 -2.988 5.973 12.081 1.00 0.00 N ATOM 266 CA ALA A 18 -3.059 7.411 11.886 1.00 0.00 C ATOM 267 C ALA A 18 -3.891 7.748 10.650 1.00 0.00 C ATOM 268 O ALA A 18 -3.942 8.902 10.221 1.00 0.00 O ATOM 269 CB ALA A 18 -1.661 7.999 11.760 1.00 0.00 C ATOM 0 H ALA A 18 -2.380 5.490 11.420 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.545 7.851 12.757 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.731 9.077 11.614 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.096 7.792 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.153 7.550 10.907 1.00 0.00 H new ATOM 275 N ILE A 19 -4.530 6.737 10.066 1.00 0.00 N ATOM 276 CA ILE A 19 -5.388 6.955 8.907 1.00 0.00 C ATOM 277 C ILE A 19 -6.852 7.070 9.339 1.00 0.00 C ATOM 278 O ILE A 19 -7.349 6.259 10.127 1.00 0.00 O ATOM 279 CB ILE A 19 -5.227 5.839 7.842 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.946 6.232 6.548 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.756 4.508 8.354 1.00 0.00 C ATOM 282 CD1 ILE A 19 -5.797 5.214 5.440 1.00 0.00 C ATOM 0 H ILE A 19 -4.470 5.767 10.374 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.076 7.892 8.446 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.163 5.722 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.006 6.374 6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.559 7.191 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.629 3.746 7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.204 4.217 9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.814 4.606 8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.332 5.559 4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.741 5.089 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.211 4.259 5.765 1.00 0.00 H new ATOM 294 N SER A 20 -7.528 8.084 8.820 1.00 0.00 N ATOM 295 CA SER A 20 -8.902 8.375 9.193 1.00 0.00 C ATOM 296 C SER A 20 -9.568 9.172 8.069 1.00 0.00 C ATOM 297 O SER A 20 -9.088 9.146 6.933 1.00 0.00 O ATOM 298 CB SER A 20 -8.920 9.161 10.515 1.00 0.00 C ATOM 299 OG SER A 20 -10.240 9.350 11.000 1.00 0.00 O ATOM 0 H SER A 20 -7.139 8.727 8.130 1.00 0.00 H new ATOM 0 HA SER A 20 -9.457 7.449 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.331 8.628 11.262 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.445 10.131 10.367 1.00 0.00 H new ATOM 0 HG SER A 20 -10.446 10.308 11.024 1.00 0.00 H new ATOM 305 N ASN A 21 -10.678 9.843 8.382 1.00 0.00 N ATOM 306 CA ASN A 21 -11.370 10.725 7.431 1.00 0.00 C ATOM 307 C ASN A 21 -11.985 9.917 6.283 1.00 0.00 C ATOM 308 O ASN A 21 -12.363 10.456 5.245 1.00 0.00 O ATOM 309 CB ASN A 21 -10.392 11.792 6.901 1.00 0.00 C ATOM 310 CG ASN A 21 -11.069 12.924 6.142 1.00 0.00 C ATOM 311 OD1 ASN A 21 -11.195 12.886 4.919 1.00 0.00 O ATOM 312 ND2 ASN A 21 -11.490 13.954 6.862 1.00 0.00 N ATOM 0 H ASN A 21 -11.124 9.793 9.298 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.186 11.229 7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.837 12.211 7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.665 11.312 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.935 14.749 6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.369 13.952 7.875 1.00 0.00 H new ATOM 319 N GLY A 22 -12.104 8.612 6.492 1.00 0.00 N ATOM 320 CA GLY A 22 -12.671 7.745 5.476 1.00 0.00 C ATOM 321 C GLY A 22 -11.673 7.396 4.387 1.00 0.00 C ATOM 322 O GLY A 22 -12.011 6.716 3.415 1.00 0.00 O ATOM 0 H GLY A 22 -11.818 8.137 7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.029 6.828 5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.537 8.233 5.028 1.00 0.00 H new ATOM 326 N TYR A 23 -10.433 7.848 4.554 1.00 0.00 N ATOM 327 CA TYR A 23 -9.393 7.615 3.559 1.00 0.00 C ATOM 328 C TYR A 23 -9.071 6.128 3.471 1.00 0.00 C ATOM 329 O TYR A 23 -8.664 5.625 2.426 1.00 0.00 O ATOM 330 CB TYR A 23 -8.136 8.409 3.917 1.00 0.00 C ATOM 331 CG TYR A 23 -7.227 8.674 2.740 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.553 9.644 1.801 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.043 7.969 2.572 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.727 9.903 0.728 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.211 8.223 1.498 1.00 0.00 C ATOM 336 CZ TYR A 23 -5.559 9.191 0.580 1.00 0.00 C ATOM 337 OH TYR A 23 -4.733 9.455 -0.486 1.00 0.00 O ATOM 0 H TYR A 23 -10.125 8.378 5.369 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.755 7.951 2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.432 9.361 4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.579 7.865 4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.469 10.205 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.768 7.211 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.995 10.661 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.293 7.666 1.379 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.017 8.786 -0.519 1.00 0.00 H new ATOM 347 N ARG A 24 -9.285 5.436 4.577 1.00 0.00 N ATOM 348 CA ARG A 24 -9.095 3.997 4.649 1.00 0.00 C ATOM 349 C ARG A 24 -10.075 3.297 3.727 1.00 0.00 C ATOM 350 O ARG A 24 -9.716 2.362 3.015 1.00 0.00 O ATOM 351 CB ARG A 24 -9.309 3.545 6.093 1.00 0.00 C ATOM 352 CG ARG A 24 -9.021 2.080 6.343 1.00 0.00 C ATOM 353 CD ARG A 24 -9.322 1.699 7.785 1.00 0.00 C ATOM 354 NE ARG A 24 -8.677 2.607 8.738 1.00 0.00 N ATOM 355 CZ ARG A 24 -8.653 2.420 10.061 1.00 0.00 C ATOM 356 NH1 ARG A 24 -9.170 1.319 10.596 1.00 0.00 N ATOM 357 NH2 ARG A 24 -8.089 3.331 10.849 1.00 0.00 N ATOM 0 H ARG A 24 -9.596 5.857 5.452 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.084 3.740 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.673 4.143 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.341 3.753 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.621 1.468 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.975 1.869 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.400 1.711 7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.983 0.679 7.969 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.216 3.437 8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.589 0.609 9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.148 1.184 11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.676 4.171 10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.070 3.190 11.859 1.00 0.00 H new ATOM 371 N GLN A 25 -11.309 3.772 3.724 1.00 0.00 N ATOM 372 CA GLN A 25 -12.325 3.224 2.855 1.00 0.00 C ATOM 373 C GLN A 25 -12.032 3.575 1.406 1.00 0.00 C ATOM 374 O GLN A 25 -12.327 2.798 0.503 1.00 0.00 O ATOM 375 CB GLN A 25 -13.700 3.735 3.258 1.00 0.00 C ATOM 376 CG GLN A 25 -14.170 3.220 4.607 1.00 0.00 C ATOM 377 CD GLN A 25 -15.611 3.585 4.900 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.316 2.861 5.603 1.00 0.00 O ATOM 379 NE2 GLN A 25 -16.062 4.708 4.360 1.00 0.00 N ATOM 0 H GLN A 25 -11.628 4.538 4.317 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.316 2.139 2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.681 4.825 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.424 3.445 2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.061 2.136 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.530 3.626 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.445 5.280 3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.026 5.000 4.521 1.00 0.00 H new ATOM 388 N ARG A 26 -11.442 4.742 1.190 1.00 0.00 N ATOM 389 CA ARG A 26 -11.027 5.148 -0.145 1.00 0.00 C ATOM 390 C ARG A 26 -9.946 4.208 -0.662 1.00 0.00 C ATOM 391 O ARG A 26 -9.977 3.780 -1.815 1.00 0.00 O ATOM 392 CB ARG A 26 -10.510 6.587 -0.131 1.00 0.00 C ATOM 393 CG ARG A 26 -10.179 7.132 -1.511 1.00 0.00 C ATOM 394 CD ARG A 26 -9.691 8.571 -1.445 1.00 0.00 C ATOM 395 NE ARG A 26 -9.425 9.113 -2.777 1.00 0.00 N ATOM 396 CZ ARG A 26 -8.888 10.310 -3.010 1.00 0.00 C ATOM 397 NH1 ARG A 26 -8.543 11.104 -2.002 1.00 0.00 N ATOM 398 NH2 ARG A 26 -8.698 10.716 -4.259 1.00 0.00 N ATOM 0 H ARG A 26 -11.240 5.424 1.921 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.890 5.097 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.260 7.228 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.618 6.637 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.414 6.509 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.063 7.076 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.439 9.186 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.783 8.620 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.667 8.536 -3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.689 10.799 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.133 12.019 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.963 10.112 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.287 11.632 -4.441 1.00 0.00 H new ATOM 412 N LEU A 27 -9.000 3.883 0.210 1.00 0.00 N ATOM 413 CA LEU A 27 -7.936 2.941 -0.119 1.00 0.00 C ATOM 414 C LEU A 27 -8.522 1.559 -0.377 1.00 0.00 C ATOM 415 O LEU A 27 -8.183 0.902 -1.362 1.00 0.00 O ATOM 416 CB LEU A 27 -6.909 2.878 1.019 1.00 0.00 C ATOM 417 CG LEU A 27 -6.060 4.138 1.206 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.045 3.931 2.316 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.357 4.512 -0.086 1.00 0.00 C ATOM 0 H LEU A 27 -8.948 4.260 1.156 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.432 3.284 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.436 2.674 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.243 2.035 0.838 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.723 4.957 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.449 4.835 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.565 3.712 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.391 3.097 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.760 5.410 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.707 3.694 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.099 4.701 -0.862 1.00 0.00 H new ATOM 431 N PHE A 28 -9.422 1.147 0.506 1.00 0.00 N ATOM 432 CA PHE A 28 -10.112 -0.135 0.388 1.00 0.00 C ATOM 433 C PHE A 28 -10.834 -0.230 -0.955 1.00 0.00 C ATOM 434 O PHE A 28 -10.746 -1.243 -1.653 1.00 0.00 O ATOM 435 CB PHE A 28 -11.119 -0.272 1.534 1.00 0.00 C ATOM 436 CG PHE A 28 -11.590 -1.678 1.786 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.614 -2.233 1.032 1.00 0.00 C ATOM 438 CD2 PHE A 28 -11.015 -2.440 2.788 1.00 0.00 C ATOM 439 CE1 PHE A 28 -13.050 -3.522 1.274 1.00 0.00 C ATOM 440 CE2 PHE A 28 -11.447 -3.730 3.033 1.00 0.00 C ATOM 441 CZ PHE A 28 -12.467 -4.272 2.276 1.00 0.00 C ATOM 0 H PHE A 28 -9.696 1.690 1.325 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.381 -0.942 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.666 0.115 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.984 0.354 1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.075 -1.651 0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.219 -2.022 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.847 -3.943 0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.987 -4.314 3.816 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.807 -5.279 2.467 1.00 0.00 H new ATOM 451 N SER A 29 -11.525 0.845 -1.312 1.00 0.00 N ATOM 452 CA SER A 29 -12.263 0.919 -2.567 1.00 0.00 C ATOM 453 C SER A 29 -11.322 0.821 -3.762 1.00 0.00 C ATOM 454 O SER A 29 -11.675 0.275 -4.810 1.00 0.00 O ATOM 455 CB SER A 29 -13.045 2.229 -2.634 1.00 0.00 C ATOM 456 OG SER A 29 -13.939 2.344 -1.540 1.00 0.00 O ATOM 0 H SER A 29 -11.590 1.688 -0.742 1.00 0.00 H new ATOM 0 HA SER A 29 -12.955 0.078 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.352 3.071 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.602 2.277 -3.570 1.00 0.00 H new ATOM 0 HG SER A 29 -13.457 2.685 -0.758 1.00 0.00 H new ATOM 462 N MET A 30 -10.123 1.357 -3.598 1.00 0.00 N ATOM 463 CA MET A 30 -9.127 1.344 -4.663 1.00 0.00 C ATOM 464 C MET A 30 -8.390 0.009 -4.721 1.00 0.00 C ATOM 465 O MET A 30 -7.649 -0.263 -5.669 1.00 0.00 O ATOM 466 CB MET A 30 -8.140 2.498 -4.489 1.00 0.00 C ATOM 467 CG MET A 30 -8.728 3.851 -4.862 1.00 0.00 C ATOM 468 SD MET A 30 -7.502 5.173 -4.875 1.00 0.00 S ATOM 469 CE MET A 30 -6.981 5.183 -3.160 1.00 0.00 C ATOM 0 H MET A 30 -9.813 1.808 -2.737 1.00 0.00 H new ATOM 0 HA MET A 30 -9.651 1.474 -5.610 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.805 2.528 -3.452 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.259 2.310 -5.103 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.189 3.781 -5.847 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.519 4.104 -4.156 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.578 6.164 -2.908 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.835 4.966 -2.519 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.212 4.425 -3.009 1.00 0.00 H new ATOM 479 N GLY A 31 -8.594 -0.820 -3.707 1.00 0.00 N ATOM 480 CA GLY A 31 -8.037 -2.160 -3.723 1.00 0.00 C ATOM 481 C GLY A 31 -6.887 -2.338 -2.754 1.00 0.00 C ATOM 482 O GLY A 31 -6.250 -3.392 -2.724 1.00 0.00 O ATOM 0 H GLY A 31 -9.135 -0.590 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.822 -2.876 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.694 -2.392 -4.731 1.00 0.00 H new ATOM 486 N LEU A 32 -6.615 -1.312 -1.967 1.00 0.00 N ATOM 487 CA LEU A 32 -5.564 -1.380 -0.966 1.00 0.00 C ATOM 488 C LEU A 32 -6.161 -1.795 0.371 1.00 0.00 C ATOM 489 O LEU A 32 -6.617 -0.958 1.147 1.00 0.00 O ATOM 490 CB LEU A 32 -4.840 -0.035 -0.843 1.00 0.00 C ATOM 491 CG LEU A 32 -4.130 0.438 -2.115 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.501 1.805 -1.897 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.074 -0.570 -2.538 1.00 0.00 C ATOM 0 H LEU A 32 -7.108 -0.420 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.830 -2.124 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.564 0.724 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.106 -0.107 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.869 0.522 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.001 2.125 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.277 2.525 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.774 1.746 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.578 -0.220 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.338 -0.682 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.547 -1.532 -2.733 1.00 0.00 H new ATOM 505 N LEU A 33 -6.185 -3.095 0.618 1.00 0.00 N ATOM 506 CA LEU A 33 -6.827 -3.637 1.802 1.00 0.00 C ATOM 507 C LEU A 33 -5.961 -4.707 2.463 1.00 0.00 C ATOM 508 O LEU A 33 -5.090 -5.296 1.819 1.00 0.00 O ATOM 509 CB LEU A 33 -8.210 -4.194 1.430 1.00 0.00 C ATOM 510 CG LEU A 33 -8.270 -5.087 0.182 1.00 0.00 C ATOM 511 CD1 LEU A 33 -7.753 -6.489 0.473 1.00 0.00 C ATOM 512 CD2 LEU A 33 -9.691 -5.149 -0.354 1.00 0.00 C ATOM 0 H LEU A 33 -5.764 -3.797 0.009 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.954 -2.835 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.588 -4.765 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.889 -3.354 1.283 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.623 -4.645 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.810 -7.093 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.717 -6.433 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.361 -6.946 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.719 -5.785 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.350 -5.561 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.024 -4.145 -0.618 1.00 0.00 H new ATOM 524 N PRO A 34 -6.185 -4.962 3.764 1.00 0.00 N ATOM 525 CA PRO A 34 -5.456 -5.994 4.505 1.00 0.00 C ATOM 526 C PRO A 34 -5.774 -7.393 3.982 1.00 0.00 C ATOM 527 O PRO A 34 -6.936 -7.802 3.933 1.00 0.00 O ATOM 528 CB PRO A 34 -5.952 -5.832 5.947 1.00 0.00 C ATOM 529 CG PRO A 34 -7.264 -5.133 5.834 1.00 0.00 C ATOM 530 CD PRO A 34 -7.172 -4.267 4.611 1.00 0.00 C ATOM 0 HA PRO A 34 -4.376 -5.883 4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.062 -6.800 6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.247 -5.252 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.080 -5.849 5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.463 -4.533 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.136 -4.177 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.846 -3.257 4.859 1.00 0.00 H new ATOM 538 N GLY A 35 -4.743 -8.121 3.596 1.00 0.00 N ATOM 539 CA GLY A 35 -4.937 -9.427 3.012 1.00 0.00 C ATOM 540 C GLY A 35 -4.452 -9.481 1.581 1.00 0.00 C ATOM 541 O GLY A 35 -4.416 -10.548 0.967 1.00 0.00 O ATOM 0 H GLY A 35 -3.769 -7.829 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.406 -10.172 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.995 -9.687 3.047 1.00 0.00 H new ATOM 545 N ALA A 36 -4.081 -8.325 1.046 1.00 0.00 N ATOM 546 CA ALA A 36 -3.562 -8.239 -0.298 1.00 0.00 C ATOM 547 C ALA A 36 -2.040 -8.221 -0.283 1.00 0.00 C ATOM 548 O ALA A 36 -1.412 -8.390 0.768 1.00 0.00 O ATOM 549 CB ALA A 36 -4.105 -6.999 -0.990 1.00 0.00 C ATOM 0 H ALA A 36 -4.134 -7.431 1.534 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.886 -9.118 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.707 -6.944 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.193 -7.052 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.805 -6.111 -0.434 1.00 0.00 H new ATOM 555 N ALA A 37 -1.467 -7.990 -1.445 1.00 0.00 N ATOM 556 CA ALA A 37 -0.025 -8.013 -1.623 1.00 0.00 C ATOM 557 C ALA A 37 0.373 -7.256 -2.884 1.00 0.00 C ATOM 558 O ALA A 37 -0.390 -7.194 -3.850 1.00 0.00 O ATOM 559 CB ALA A 37 0.478 -9.447 -1.690 1.00 0.00 C ATOM 0 H ALA A 37 -1.987 -7.780 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 37 0.433 -7.521 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.560 -9.447 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.226 -9.964 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.009 -9.958 -2.530 1.00 0.00 H new ATOM 565 N LEU A 38 1.559 -6.673 -2.857 1.00 0.00 N ATOM 566 CA LEU A 38 2.095 -5.936 -3.991 1.00 0.00 C ATOM 567 C LEU A 38 3.458 -6.490 -4.366 1.00 0.00 C ATOM 568 O LEU A 38 4.266 -6.812 -3.495 1.00 0.00 O ATOM 569 CB LEU A 38 2.231 -4.452 -3.645 1.00 0.00 C ATOM 570 CG LEU A 38 0.955 -3.772 -3.136 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.254 -2.348 -2.693 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.118 -3.774 -4.214 1.00 0.00 C ATOM 0 H LEU A 38 2.179 -6.697 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 38 1.410 -6.045 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.007 -4.344 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.576 -3.920 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 38 0.585 -4.334 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.338 -1.879 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.992 -2.364 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.647 -1.780 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.016 -3.287 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.245 -3.235 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.352 -4.802 -4.492 1.00 0.00 H new ATOM 584 N ARG A 39 3.704 -6.617 -5.654 1.00 0.00 N ATOM 585 CA ARG A 39 5.001 -7.063 -6.140 1.00 0.00 C ATOM 586 C ARG A 39 5.703 -5.916 -6.850 1.00 0.00 C ATOM 587 O ARG A 39 5.148 -5.331 -7.775 1.00 0.00 O ATOM 588 CB ARG A 39 4.837 -8.267 -7.073 1.00 0.00 C ATOM 589 CG ARG A 39 6.132 -8.722 -7.726 1.00 0.00 C ATOM 590 CD ARG A 39 6.041 -10.159 -8.215 1.00 0.00 C ATOM 591 NE ARG A 39 4.912 -10.381 -9.121 1.00 0.00 N ATOM 592 CZ ARG A 39 4.407 -11.586 -9.381 1.00 0.00 C ATOM 593 NH1 ARG A 39 4.933 -12.667 -8.812 1.00 0.00 N ATOM 594 NH2 ARG A 39 3.381 -11.714 -10.211 1.00 0.00 N ATOM 0 H ARG A 39 3.024 -6.418 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 39 5.613 -7.376 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.416 -9.098 -6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.118 -8.015 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.367 -8.066 -8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.951 -8.632 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.967 -10.424 -8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.948 -10.825 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 39 4.491 -9.571 -9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.724 -12.574 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.545 -13.589 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.976 -10.888 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.997 -12.638 -10.408 1.00 0.00 H new ATOM 608 N VAL A 40 6.915 -5.591 -6.403 1.00 0.00 N ATOM 609 CA VAL A 40 7.644 -4.434 -6.919 1.00 0.00 C ATOM 610 C VAL A 40 7.934 -4.557 -8.415 1.00 0.00 C ATOM 611 O VAL A 40 8.442 -5.579 -8.884 1.00 0.00 O ATOM 612 CB VAL A 40 8.970 -4.211 -6.145 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.989 -5.304 -6.430 1.00 0.00 C ATOM 614 CG2 VAL A 40 9.551 -2.842 -6.457 1.00 0.00 C ATOM 0 H VAL A 40 7.414 -6.114 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 40 6.997 -3.570 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 40 8.734 -4.257 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.901 -5.107 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.580 -6.269 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.217 -5.320 -7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.480 -2.706 -5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.751 -2.766 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.839 -2.070 -6.165 1.00 0.00 H new ATOM 624 N VAL A 41 7.564 -3.527 -9.163 1.00 0.00 N ATOM 625 CA VAL A 41 7.946 -3.435 -10.558 1.00 0.00 C ATOM 626 C VAL A 41 9.095 -2.444 -10.718 1.00 0.00 C ATOM 627 O VAL A 41 10.122 -2.767 -11.313 1.00 0.00 O ATOM 628 CB VAL A 41 6.763 -3.010 -11.461 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.213 -2.878 -12.907 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.614 -3.998 -11.347 1.00 0.00 C ATOM 0 H VAL A 41 7.001 -2.747 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 41 8.263 -4.429 -10.875 1.00 0.00 H new ATOM 0 HB VAL A 41 6.410 -2.037 -11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.367 -2.579 -13.525 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.998 -2.125 -12.976 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.597 -3.836 -13.257 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.794 -3.678 -11.990 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.953 -4.987 -11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.270 -4.038 -10.314 1.00 0.00 H new ATOM 640 N ARG A 42 8.929 -1.246 -10.161 1.00 0.00 N ATOM 641 CA ARG A 42 9.950 -0.208 -10.274 1.00 0.00 C ATOM 642 C ARG A 42 9.645 0.988 -9.373 1.00 0.00 C ATOM 643 O ARG A 42 8.516 1.169 -8.916 1.00 0.00 O ATOM 644 CB ARG A 42 10.078 0.271 -11.727 1.00 0.00 C ATOM 645 CG ARG A 42 8.780 0.807 -12.306 1.00 0.00 C ATOM 646 CD ARG A 42 8.978 1.397 -13.695 1.00 0.00 C ATOM 647 NE ARG A 42 9.898 2.534 -13.681 1.00 0.00 N ATOM 648 CZ ARG A 42 9.730 3.645 -14.401 1.00 0.00 C ATOM 649 NH1 ARG A 42 8.680 3.782 -15.203 1.00 0.00 N ATOM 650 NH2 ARG A 42 10.618 4.623 -14.320 1.00 0.00 N ATOM 0 H ARG A 42 8.102 -0.972 -9.630 1.00 0.00 H new ATOM 0 HA ARG A 42 10.892 -0.651 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.838 1.050 -11.778 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.427 -0.557 -12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.045 0.003 -12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.374 1.570 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.363 0.628 -14.364 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.015 1.715 -14.095 1.00 0.00 H new ATOM 0 HE ARG A 42 10.721 2.474 -13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.991 3.033 -15.274 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.563 4.636 -15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.429 4.527 -13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.492 5.473 -14.869 1.00 0.00 H new ATOM 664 N ILE A 43 10.681 1.778 -9.113 1.00 0.00 N ATOM 665 CA ILE A 43 10.566 3.063 -8.423 1.00 0.00 C ATOM 666 C ILE A 43 11.418 4.073 -9.194 1.00 0.00 C ATOM 667 O ILE A 43 12.468 3.705 -9.725 1.00 0.00 O ATOM 668 CB ILE A 43 11.072 2.987 -6.955 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.199 2.024 -6.141 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.095 4.375 -6.306 1.00 0.00 C ATOM 671 CD1 ILE A 43 10.679 1.821 -4.720 1.00 0.00 C ATOM 0 H ILE A 43 11.638 1.543 -9.378 1.00 0.00 H new ATOM 0 HA ILE A 43 9.516 3.355 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 43 12.094 2.608 -6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.178 2.404 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.170 1.059 -6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.453 4.291 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.760 5.029 -6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.088 4.793 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.013 1.128 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.689 1.411 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.682 2.777 -4.197 1.00 0.00 H new ATOM 683 N ALA A 44 10.968 5.316 -9.293 1.00 0.00 N ATOM 684 CA ALA A 44 11.735 6.345 -9.997 1.00 0.00 C ATOM 685 C ALA A 44 13.002 6.701 -9.225 1.00 0.00 C ATOM 686 O ALA A 44 12.989 6.762 -7.998 1.00 0.00 O ATOM 687 CB ALA A 44 10.888 7.593 -10.226 1.00 0.00 C ATOM 0 H ALA A 44 10.084 5.639 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 44 12.023 5.941 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.480 8.343 -10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.015 7.335 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.563 7.994 -9.266 1.00 0.00 H new ATOM 693 N PRO A 45 14.113 6.954 -9.940 1.00 0.00 N ATOM 694 CA PRO A 45 15.414 7.261 -9.325 1.00 0.00 C ATOM 695 C PRO A 45 15.424 8.589 -8.563 1.00 0.00 C ATOM 696 O PRO A 45 16.393 8.905 -7.877 1.00 0.00 O ATOM 697 CB PRO A 45 16.378 7.331 -10.516 1.00 0.00 C ATOM 698 CG PRO A 45 15.659 6.675 -11.644 1.00 0.00 C ATOM 699 CD PRO A 45 14.201 6.941 -11.406 1.00 0.00 C ATOM 0 HA PRO A 45 15.680 6.510 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.630 8.364 -10.758 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.314 6.818 -10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.980 7.083 -12.603 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.863 5.604 -11.668 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.886 7.890 -11.839 1.00 0.00 H new ATOM 0 HD3 PRO A 45 13.571 6.166 -11.843 1.00 0.00 H new ATOM 707 N LEU A 46 14.352 9.364 -8.704 1.00 0.00 N ATOM 708 CA LEU A 46 14.202 10.623 -7.976 1.00 0.00 C ATOM 709 C LEU A 46 14.079 10.362 -6.484 1.00 0.00 C ATOM 710 O LEU A 46 15.065 10.354 -5.746 1.00 0.00 O ATOM 711 CB LEU A 46 12.955 11.380 -8.453 1.00 0.00 C ATOM 712 CG LEU A 46 13.127 12.226 -9.715 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.278 13.204 -9.553 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.334 11.340 -10.930 1.00 0.00 C ATOM 0 H LEU A 46 13.570 9.141 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 46 15.088 11.228 -8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.160 10.656 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.619 12.031 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 46 12.214 12.802 -9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.383 13.796 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.077 13.866 -8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.201 12.653 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.454 11.962 -11.817 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.228 10.732 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.469 10.689 -11.057 1.00 0.00 H new ATOM 726 N GLY A 47 12.850 10.159 -6.059 1.00 0.00 N ATOM 727 CA GLY A 47 12.584 9.743 -4.711 1.00 0.00 C ATOM 728 C GLY A 47 11.792 8.480 -4.729 1.00 0.00 C ATOM 729 O GLY A 47 12.333 7.400 -4.495 1.00 0.00 O ATOM 0 H GLY A 47 12.018 10.278 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.520 9.590 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.036 10.521 -4.180 1.00 0.00 H new ATOM 733 N ASP A 48 10.510 8.613 -5.060 1.00 0.00 N ATOM 734 CA ASP A 48 9.666 7.459 -5.231 1.00 0.00 C ATOM 735 C ASP A 48 8.241 7.791 -5.645 1.00 0.00 C ATOM 736 O ASP A 48 7.553 8.611 -5.036 1.00 0.00 O ATOM 737 CB ASP A 48 9.601 6.669 -3.922 1.00 0.00 C ATOM 738 CG ASP A 48 9.071 7.485 -2.747 1.00 0.00 C ATOM 739 OD1 ASP A 48 9.880 8.167 -2.069 1.00 0.00 O ATOM 740 OD2 ASP A 48 7.851 7.451 -2.499 1.00 0.00 O ATOM 0 H ASP A 48 10.045 9.508 -5.212 1.00 0.00 H new ATOM 0 HA ASP A 48 10.118 6.881 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.965 5.796 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.598 6.301 -3.679 1.00 0.00 H new ATOM 745 N PRO A 49 7.838 7.192 -6.762 1.00 0.00 N ATOM 746 CA PRO A 49 6.554 6.574 -6.949 1.00 0.00 C ATOM 747 C PRO A 49 6.761 5.073 -6.905 1.00 0.00 C ATOM 748 O PRO A 49 7.871 4.587 -7.140 1.00 0.00 O ATOM 749 CB PRO A 49 6.153 7.011 -8.357 1.00 0.00 C ATOM 750 CG PRO A 49 7.424 7.501 -9.003 1.00 0.00 C ATOM 751 CD PRO A 49 8.546 7.223 -8.029 1.00 0.00 C ATOM 0 HA PRO A 49 5.804 6.842 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.722 6.182 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.400 7.799 -8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.598 6.989 -9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.359 8.566 -9.224 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.047 6.278 -8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.309 8.001 -8.052 1.00 0.00 H new ATOM 759 N ILE A 50 5.741 4.327 -6.614 1.00 0.00 N ATOM 760 CA ILE A 50 5.932 2.902 -6.479 1.00 0.00 C ATOM 761 C ILE A 50 5.079 2.158 -7.486 1.00 0.00 C ATOM 762 O ILE A 50 3.860 2.076 -7.341 1.00 0.00 O ATOM 763 CB ILE A 50 5.631 2.393 -5.045 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.538 3.065 -4.003 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.802 0.886 -4.972 1.00 0.00 C ATOM 766 CD1 ILE A 50 6.080 4.443 -3.568 1.00 0.00 C ATOM 0 H ILE A 50 4.789 4.661 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 50 6.986 2.704 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 50 4.598 2.654 -4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.600 2.422 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.545 3.143 -4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.587 0.544 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.115 0.408 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.827 0.623 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.778 4.843 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.046 5.105 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.086 4.373 -3.126 1.00 0.00 H new ATOM 778 N GLN A 51 5.728 1.653 -8.525 1.00 0.00 N ATOM 779 CA GLN A 51 5.063 0.830 -9.504 1.00 0.00 C ATOM 780 C GLN A 51 5.123 -0.619 -9.057 1.00 0.00 C ATOM 781 O GLN A 51 6.204 -1.187 -8.897 1.00 0.00 O ATOM 782 CB GLN A 51 5.702 0.983 -10.887 1.00 0.00 C ATOM 783 CG GLN A 51 5.351 2.282 -11.607 1.00 0.00 C ATOM 784 CD GLN A 51 6.102 3.493 -11.079 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.225 3.384 -10.590 1.00 0.00 O ATOM 786 NE2 GLN A 51 5.487 4.661 -11.190 1.00 0.00 N ATOM 0 H GLN A 51 6.720 1.805 -8.705 1.00 0.00 H new ATOM 0 HA GLN A 51 4.024 1.151 -9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.785 0.922 -10.781 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.395 0.143 -11.510 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.565 2.168 -12.670 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.280 2.461 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.555 4.710 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.945 5.512 -10.864 1.00 0.00 H new ATOM 795 N VAL A 52 3.962 -1.194 -8.830 1.00 0.00 N ATOM 796 CA VAL A 52 3.856 -2.564 -8.372 1.00 0.00 C ATOM 797 C VAL A 52 2.820 -3.319 -9.187 1.00 0.00 C ATOM 798 O VAL A 52 2.103 -2.732 -9.999 1.00 0.00 O ATOM 799 CB VAL A 52 3.477 -2.648 -6.877 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.635 -2.205 -5.997 1.00 0.00 C ATOM 801 CG2 VAL A 52 2.233 -1.817 -6.588 1.00 0.00 C ATOM 0 H VAL A 52 3.065 -0.726 -8.957 1.00 0.00 H new ATOM 0 HA VAL A 52 4.838 -3.018 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 52 3.254 -3.689 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.343 -2.273 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.496 -2.849 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.898 -1.174 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.984 -1.891 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.424 -0.775 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.400 -2.190 -7.183 1.00 0.00 H new ATOM 811 N GLU A 53 2.745 -4.614 -8.966 1.00 0.00 N ATOM 812 CA GLU A 53 1.761 -5.443 -9.625 1.00 0.00 C ATOM 813 C GLU A 53 0.844 -6.050 -8.575 1.00 0.00 C ATOM 814 O GLU A 53 1.315 -6.595 -7.575 1.00 0.00 O ATOM 815 CB GLU A 53 2.446 -6.546 -10.433 1.00 0.00 C ATOM 816 CG GLU A 53 1.486 -7.361 -11.285 1.00 0.00 C ATOM 817 CD GLU A 53 2.139 -8.582 -11.897 1.00 0.00 C ATOM 818 OE1 GLU A 53 2.258 -9.601 -11.192 1.00 0.00 O ATOM 819 OE2 GLU A 53 2.514 -8.537 -13.087 1.00 0.00 O ATOM 0 H GLU A 53 3.361 -5.119 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 53 1.176 -4.834 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.200 -6.097 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.969 -7.214 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.640 -7.675 -10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.087 -6.731 -12.080 1.00 0.00 H new ATOM 826 N THR A 54 -0.453 -5.941 -8.798 1.00 0.00 N ATOM 827 CA THR A 54 -1.443 -6.462 -7.867 1.00 0.00 C ATOM 828 C THR A 54 -1.849 -7.883 -8.237 1.00 0.00 C ATOM 829 O THR A 54 -2.885 -8.377 -7.790 1.00 0.00 O ATOM 830 CB THR A 54 -2.694 -5.569 -7.855 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.104 -5.282 -9.203 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.428 -4.269 -7.114 1.00 0.00 C ATOM 0 H THR A 54 -0.850 -5.492 -9.623 1.00 0.00 H new ATOM 0 HA THR A 54 -0.990 -6.469 -6.876 1.00 0.00 H new ATOM 0 HB THR A 54 -3.490 -6.105 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.902 -4.714 -9.188 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.329 -3.656 -7.120 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.146 -4.488 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.618 -3.729 -7.605 1.00 0.00 H new ATOM 840 N ARG A 55 -1.014 -8.528 -9.057 1.00 0.00 N ATOM 841 CA ARG A 55 -1.314 -9.850 -9.616 1.00 0.00 C ATOM 842 C ARG A 55 -2.553 -9.744 -10.510 1.00 0.00 C ATOM 843 O ARG A 55 -3.231 -10.728 -10.797 1.00 0.00 O ATOM 844 CB ARG A 55 -1.525 -10.882 -8.493 1.00 0.00 C ATOM 845 CG ARG A 55 -0.803 -12.208 -8.716 1.00 0.00 C ATOM 846 CD ARG A 55 -1.337 -12.948 -9.933 1.00 0.00 C ATOM 847 NE ARG A 55 -0.723 -14.265 -10.093 1.00 0.00 N ATOM 848 CZ ARG A 55 -1.366 -15.331 -10.575 1.00 0.00 C ATOM 849 NH1 ARG A 55 -2.650 -15.245 -10.900 1.00 0.00 N ATOM 850 NH2 ARG A 55 -0.729 -16.488 -10.709 1.00 0.00 N ATOM 0 H ARG A 55 -0.114 -8.150 -9.351 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.470 -10.192 -10.215 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.186 -10.451 -7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.593 -11.076 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.264 -12.023 -8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.915 -12.835 -7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.417 -13.062 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.153 -12.353 -10.827 1.00 0.00 H new ATOM 0 HE ARG A 55 0.254 -14.376 -9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.148 -14.363 -10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.139 -16.061 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.253 -16.563 -10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.222 -17.302 -11.077 1.00 0.00 H new ATOM 864 N GLN A 56 -2.823 -8.524 -10.950 1.00 0.00 N ATOM 865 CA GLN A 56 -3.960 -8.233 -11.804 1.00 0.00 C ATOM 866 C GLN A 56 -3.539 -7.191 -12.831 1.00 0.00 C ATOM 867 O GLN A 56 -3.517 -7.452 -14.034 1.00 0.00 O ATOM 868 CB GLN A 56 -5.136 -7.723 -10.948 1.00 0.00 C ATOM 869 CG GLN A 56 -6.506 -7.781 -11.625 1.00 0.00 C ATOM 870 CD GLN A 56 -6.734 -6.687 -12.657 1.00 0.00 C ATOM 871 OE1 GLN A 56 -7.199 -5.597 -12.329 1.00 0.00 O ATOM 872 NE2 GLN A 56 -6.436 -6.977 -13.911 1.00 0.00 N ATOM 0 H GLN A 56 -2.257 -7.707 -10.723 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.288 -9.134 -12.323 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.177 -8.309 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.934 -6.691 -10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.620 -8.751 -12.108 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.280 -7.712 -10.861 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.052 -7.892 -14.145 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.590 -6.286 -14.645 1.00 0.00 H new ATOM 881 N THR A 57 -3.170 -6.018 -12.343 1.00 0.00 N ATOM 882 CA THR A 57 -2.713 -4.945 -13.203 1.00 0.00 C ATOM 883 C THR A 57 -1.584 -4.181 -12.516 1.00 0.00 C ATOM 884 O THR A 57 -1.257 -4.459 -11.355 1.00 0.00 O ATOM 885 CB THR A 57 -3.875 -3.986 -13.559 1.00 0.00 C ATOM 886 OG1 THR A 57 -3.469 -3.052 -14.569 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.356 -3.229 -12.327 1.00 0.00 C ATOM 0 H THR A 57 -3.179 -5.786 -11.350 1.00 0.00 H new ATOM 0 HA THR A 57 -2.341 -5.378 -14.131 1.00 0.00 H new ATOM 0 HB THR A 57 -4.697 -4.591 -13.942 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.217 -2.455 -14.782 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.172 -2.563 -12.605 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.706 -3.939 -11.578 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.534 -2.643 -11.916 1.00 0.00 H new ATOM 895 N SER A 58 -0.989 -3.236 -13.225 1.00 0.00 N ATOM 896 CA SER A 58 0.076 -2.427 -12.667 1.00 0.00 C ATOM 897 C SER A 58 -0.504 -1.281 -11.846 1.00 0.00 C ATOM 898 O SER A 58 -1.545 -0.713 -12.193 1.00 0.00 O ATOM 899 CB SER A 58 0.962 -1.878 -13.784 1.00 0.00 C ATOM 900 OG SER A 58 1.418 -2.920 -14.630 1.00 0.00 O ATOM 0 H SER A 58 -1.228 -3.012 -14.191 1.00 0.00 H new ATOM 0 HA SER A 58 0.683 -3.053 -12.013 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.404 -1.147 -14.370 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.816 -1.356 -13.352 1.00 0.00 H new ATOM 0 HG SER A 58 1.982 -2.544 -15.338 1.00 0.00 H new ATOM 906 N LEU A 59 0.161 -0.949 -10.757 1.00 0.00 N ATOM 907 CA LEU A 59 -0.291 0.123 -9.889 1.00 0.00 C ATOM 908 C LEU A 59 0.869 1.031 -9.513 1.00 0.00 C ATOM 909 O LEU A 59 1.997 0.575 -9.356 1.00 0.00 O ATOM 910 CB LEU A 59 -0.949 -0.452 -8.631 1.00 0.00 C ATOM 911 CG LEU A 59 -1.586 0.577 -7.692 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.748 1.285 -8.374 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.049 -0.093 -6.407 1.00 0.00 C ATOM 0 H LEU A 59 1.019 -1.407 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.030 0.715 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.716 -1.164 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.199 -1.012 -8.073 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.833 1.324 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.185 2.011 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.388 1.799 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.504 0.553 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.499 0.651 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.785 -0.862 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.195 -0.549 -5.906 1.00 0.00 H new ATOM 925 N ALA A 60 0.578 2.313 -9.393 1.00 0.00 N ATOM 926 CA ALA A 60 1.567 3.301 -8.989 1.00 0.00 C ATOM 927 C ALA A 60 0.980 4.198 -7.912 1.00 0.00 C ATOM 928 O ALA A 60 -0.191 4.578 -7.985 1.00 0.00 O ATOM 929 CB ALA A 60 2.019 4.121 -10.190 1.00 0.00 C ATOM 0 H ALA A 60 -0.348 2.701 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 60 2.440 2.790 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.759 4.856 -9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.461 3.461 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.161 4.635 -10.624 1.00 0.00 H new ATOM 935 N LEU A 61 1.789 4.526 -6.919 1.00 0.00 N ATOM 936 CA LEU A 61 1.330 5.312 -5.787 1.00 0.00 C ATOM 937 C LEU A 61 2.509 6.040 -5.168 1.00 0.00 C ATOM 938 O LEU A 61 3.636 5.898 -5.641 1.00 0.00 O ATOM 939 CB LEU A 61 0.614 4.419 -4.756 1.00 0.00 C ATOM 940 CG LEU A 61 1.329 3.121 -4.371 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.435 3.379 -3.363 1.00 0.00 C ATOM 942 CD2 LEU A 61 0.335 2.111 -3.823 1.00 0.00 C ATOM 0 H LEU A 61 2.772 4.258 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 61 0.606 6.051 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.454 5.003 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.370 4.164 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 61 1.786 2.710 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.923 2.438 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.166 4.063 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.010 3.821 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.859 1.194 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.153 2.523 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.416 1.891 -4.582 1.00 0.00 H new ATOM 954 N ARG A 62 2.261 6.825 -4.134 1.00 0.00 N ATOM 955 CA ARG A 62 3.330 7.571 -3.504 1.00 0.00 C ATOM 956 C ARG A 62 3.566 7.136 -2.080 1.00 0.00 C ATOM 957 O ARG A 62 2.783 6.390 -1.488 1.00 0.00 O ATOM 958 CB ARG A 62 3.033 9.060 -3.527 1.00 0.00 C ATOM 959 CG ARG A 62 2.955 9.620 -4.923 1.00 0.00 C ATOM 960 CD ARG A 62 4.289 9.532 -5.648 1.00 0.00 C ATOM 961 NE ARG A 62 4.169 9.931 -7.048 1.00 0.00 N ATOM 962 CZ ARG A 62 4.445 11.150 -7.504 1.00 0.00 C ATOM 963 NH1 ARG A 62 4.884 12.096 -6.679 1.00 0.00 N ATOM 964 NH2 ARG A 62 4.288 11.417 -8.791 1.00 0.00 N ATOM 0 H ARG A 62 1.339 6.960 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 62 4.233 7.366 -4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.090 9.245 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.808 9.589 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.198 9.077 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.635 10.661 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.018 10.171 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.668 8.511 -5.591 1.00 0.00 H new ATOM 0 HE ARG A 62 3.853 9.230 -7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.012 11.890 -5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.093 13.028 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.957 10.690 -9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.498 12.349 -9.148 1.00 0.00 H new ATOM 978 N ARG A 63 4.649 7.650 -1.546 1.00 0.00 N ATOM 979 CA ARG A 63 5.082 7.354 -0.183 1.00 0.00 C ATOM 980 C ARG A 63 4.059 7.812 0.846 1.00 0.00 C ATOM 981 O ARG A 63 3.868 7.162 1.869 1.00 0.00 O ATOM 982 CB ARG A 63 6.423 8.024 0.087 1.00 0.00 C ATOM 983 CG ARG A 63 6.442 9.505 -0.245 1.00 0.00 C ATOM 984 CD ARG A 63 7.851 10.063 -0.216 1.00 0.00 C ATOM 985 NE ARG A 63 7.908 11.429 -0.736 1.00 0.00 N ATOM 986 CZ ARG A 63 8.528 11.759 -1.867 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.133 10.829 -2.595 1.00 0.00 N ATOM 988 NH2 ARG A 63 8.537 13.021 -2.284 1.00 0.00 N ATOM 0 H ARG A 63 5.266 8.292 -2.043 1.00 0.00 H new ATOM 0 HA ARG A 63 5.183 6.273 -0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.680 7.893 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.195 7.520 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.007 9.663 -1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.820 10.047 0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.226 10.048 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.507 9.423 -0.805 1.00 0.00 H new ATOM 0 HE ARG A 63 7.448 12.168 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.124 9.856 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.607 11.087 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.067 13.742 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.014 13.268 -3.151 1.00 0.00 H new ATOM 1002 N LYS A 64 3.415 8.937 0.576 1.00 0.00 N ATOM 1003 CA LYS A 64 2.393 9.471 1.473 1.00 0.00 C ATOM 1004 C LYS A 64 1.273 8.457 1.675 1.00 0.00 C ATOM 1005 O LYS A 64 0.839 8.209 2.801 1.00 0.00 O ATOM 1006 CB LYS A 64 1.845 10.795 0.917 1.00 0.00 C ATOM 1007 CG LYS A 64 0.772 11.455 1.779 1.00 0.00 C ATOM 1008 CD LYS A 64 -0.633 10.995 1.407 1.00 0.00 C ATOM 1009 CE LYS A 64 -0.992 11.405 -0.011 1.00 0.00 C ATOM 1010 NZ LYS A 64 -2.322 10.889 -0.428 1.00 0.00 N ATOM 0 H LYS A 64 3.580 9.501 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 64 2.845 9.666 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.674 11.493 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.433 10.613 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.961 11.227 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.838 12.538 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.700 9.911 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.354 11.421 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.987 12.493 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.230 11.036 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.530 11.208 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.315 9.849 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.052 11.248 0.220 1.00 0.00 H new ATOM 1024 N ASP A 65 0.817 7.864 0.581 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.234 6.860 0.636 1.00 0.00 C ATOM 1026 C ASP A 65 0.303 5.574 1.236 1.00 0.00 C ATOM 1027 O ASP A 65 -0.375 4.896 2.008 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.771 6.589 -0.769 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.283 7.840 -1.444 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -2.428 8.250 -1.162 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.538 8.432 -2.255 1.00 0.00 O ATOM 0 H ASP A 65 1.161 8.062 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.044 7.234 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.019 6.149 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.575 5.856 -0.712 1.00 0.00 H new ATOM 1036 N LEU A 66 1.543 5.264 0.889 1.00 0.00 N ATOM 1037 CA LEU A 66 2.205 4.056 1.357 1.00 0.00 C ATOM 1038 C LEU A 66 2.386 4.090 2.873 1.00 0.00 C ATOM 1039 O LEU A 66 2.323 3.059 3.536 1.00 0.00 O ATOM 1040 CB LEU A 66 3.568 3.919 0.670 1.00 0.00 C ATOM 1041 CG LEU A 66 4.229 2.548 0.791 1.00 0.00 C ATOM 1042 CD1 LEU A 66 3.449 1.511 -0.003 1.00 0.00 C ATOM 1043 CD2 LEU A 66 5.676 2.608 0.317 1.00 0.00 C ATOM 0 H LEU A 66 2.118 5.842 0.276 1.00 0.00 H new ATOM 0 HA LEU A 66 1.583 3.197 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.448 4.153 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.243 4.667 1.087 1.00 0.00 H new ATOM 0 HG LEU A 66 4.224 2.254 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.933 0.539 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.431 1.449 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.423 1.801 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.131 1.622 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.704 2.923 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.229 3.322 0.927 1.00 0.00 H new ATOM 1055 N ALA A 67 2.597 5.288 3.415 1.00 0.00 N ATOM 1056 CA ALA A 67 2.821 5.463 4.846 1.00 0.00 C ATOM 1057 C ALA A 67 1.551 5.205 5.654 1.00 0.00 C ATOM 1058 O ALA A 67 1.610 4.968 6.866 1.00 0.00 O ATOM 1059 CB ALA A 67 3.350 6.861 5.126 1.00 0.00 C ATOM 0 H ALA A 67 2.617 6.156 2.880 1.00 0.00 H new ATOM 0 HA ALA A 67 3.564 4.728 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.514 6.980 6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.292 7.006 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.624 7.600 4.785 1.00 0.00 H new ATOM 1065 N LEU A 68 0.404 5.244 4.989 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.868 5.019 5.661 1.00 0.00 C ATOM 1067 C LEU A 68 -1.223 3.537 5.674 1.00 0.00 C ATOM 1068 O LEU A 68 -2.182 3.124 6.330 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.978 5.830 4.992 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.811 7.350 5.090 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.945 8.058 4.368 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.759 7.790 6.547 1.00 0.00 C ATOM 0 H LEU A 68 0.328 5.429 3.989 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.769 5.352 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.029 5.551 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.932 5.554 5.441 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.870 7.622 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.810 9.137 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.944 7.769 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.896 7.777 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.640 8.872 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.684 7.503 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.915 7.309 7.042 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.437 2.741 4.966 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.651 1.303 4.912 1.00 0.00 C ATOM 1086 C LEU A 69 0.359 0.579 5.792 1.00 0.00 C ATOM 1087 O LEU A 69 1.524 0.973 5.869 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.522 0.802 3.471 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.553 1.357 2.486 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.221 0.922 1.068 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -2.954 0.903 2.868 1.00 0.00 C ATOM 0 H LEU A 69 0.359 3.068 4.418 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.656 1.094 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.474 1.051 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.597 -0.285 3.475 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.520 2.446 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.964 1.325 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.234 1.295 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.227 -0.166 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.674 1.307 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.001 -0.186 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.192 1.262 3.869 1.00 0.00 H new ATOM 1103 N THR A 70 -0.083 -0.471 6.465 1.00 0.00 N ATOM 1104 CA THR A 70 0.831 -1.316 7.210 1.00 0.00 C ATOM 1105 C THR A 70 1.202 -2.522 6.363 1.00 0.00 C ATOM 1106 O THR A 70 0.359 -3.363 6.038 1.00 0.00 O ATOM 1107 CB THR A 70 0.226 -1.779 8.542 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.277 -0.648 9.268 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.262 -2.509 9.390 1.00 0.00 C ATOM 0 H THR A 70 -1.061 -0.756 6.510 1.00 0.00 H new ATOM 0 HA THR A 70 1.721 -0.731 7.441 1.00 0.00 H new ATOM 0 HB THR A 70 -0.590 -2.468 8.323 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.664 -0.950 10.117 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.806 -2.826 10.328 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.624 -3.383 8.849 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.097 -1.840 9.600 1.00 0.00 H new ATOM 1117 N LEU A 71 2.465 -2.595 6.001 1.00 0.00 N ATOM 1118 CA LEU A 71 2.927 -3.600 5.063 1.00 0.00 C ATOM 1119 C LEU A 71 4.013 -4.462 5.679 1.00 0.00 C ATOM 1120 O LEU A 71 4.928 -3.952 6.327 1.00 0.00 O ATOM 1121 CB LEU A 71 3.481 -2.938 3.799 1.00 0.00 C ATOM 1122 CG LEU A 71 2.527 -1.991 3.070 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.210 -1.397 1.851 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.251 -2.708 2.663 1.00 0.00 C ATOM 0 H LEU A 71 3.194 -1.969 6.343 1.00 0.00 H new ATOM 0 HA LEU A 71 2.073 -4.227 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.380 -2.382 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.786 -3.721 3.105 1.00 0.00 H new ATOM 0 HG LEU A 71 2.258 -1.186 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.521 -0.724 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.094 -0.842 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.505 -2.198 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.591 -2.011 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.495 -3.537 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.750 -3.092 3.552 1.00 0.00 H new ATOM 1136 N VAL A 72 3.899 -5.762 5.485 1.00 0.00 N ATOM 1137 CA VAL A 72 4.966 -6.681 5.842 1.00 0.00 C ATOM 1138 C VAL A 72 5.300 -7.559 4.640 1.00 0.00 C ATOM 1139 O VAL A 72 4.414 -8.149 4.022 1.00 0.00 O ATOM 1140 CB VAL A 72 4.627 -7.559 7.072 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.575 -6.711 8.336 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.318 -8.302 6.878 1.00 0.00 C ATOM 0 H VAL A 72 3.076 -6.208 5.081 1.00 0.00 H new ATOM 0 HA VAL A 72 5.831 -6.081 6.124 1.00 0.00 H new ATOM 0 HB VAL A 72 5.419 -8.300 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.336 -7.345 9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.543 -6.237 8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.809 -5.943 8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.110 -8.909 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.510 -7.584 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.392 -8.947 6.003 1.00 0.00 H new ATOM 1152 N PRO A 73 6.580 -7.635 4.274 1.00 0.00 N ATOM 1153 CA PRO A 73 7.011 -8.324 3.056 1.00 0.00 C ATOM 1154 C PRO A 73 6.765 -9.831 3.088 1.00 0.00 C ATOM 1155 O PRO A 73 6.522 -10.421 4.144 1.00 0.00 O ATOM 1156 CB PRO A 73 8.513 -8.034 2.991 1.00 0.00 C ATOM 1157 CG PRO A 73 8.902 -7.721 4.393 1.00 0.00 C ATOM 1158 CD PRO A 73 7.708 -7.060 5.017 1.00 0.00 C ATOM 0 HA PRO A 73 6.449 -7.975 2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.065 -8.893 2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.726 -7.197 2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.173 -8.628 4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.770 -7.063 4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.640 -7.276 6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.748 -5.976 4.913 1.00 0.00 H new ATOM 1166 N LEU A 74 6.813 -10.438 1.910 1.00 0.00 N ATOM 1167 CA LEU A 74 6.748 -11.877 1.770 1.00 0.00 C ATOM 1168 C LEU A 74 8.162 -12.424 1.704 1.00 0.00 C ATOM 1169 O LEU A 74 8.663 -13.022 2.658 1.00 0.00 O ATOM 1170 CB LEU A 74 5.990 -12.246 0.494 1.00 0.00 C ATOM 1171 CG LEU A 74 4.502 -11.899 0.483 1.00 0.00 C ATOM 1172 CD1 LEU A 74 3.922 -12.119 -0.903 1.00 0.00 C ATOM 1173 CD2 LEU A 74 3.750 -12.739 1.502 1.00 0.00 C ATOM 0 H LEU A 74 6.898 -9.940 1.024 1.00 0.00 H new ATOM 0 HA LEU A 74 6.223 -12.306 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.467 -11.745 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.095 -13.318 0.328 1.00 0.00 H new ATOM 0 HG LEU A 74 4.392 -10.848 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.861 -11.868 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.441 -11.483 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.046 -13.164 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.692 -12.478 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.868 -13.795 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.150 -12.547 2.498 1.00 0.00 H new ATOM 1185 N ASP A 75 8.808 -12.166 0.578 1.00 0.00 N ATOM 1186 CA ASP A 75 10.195 -12.526 0.369 1.00 0.00 C ATOM 1187 C ASP A 75 10.865 -11.465 -0.471 1.00 0.00 C ATOM 1188 O ASP A 75 10.148 -10.806 -1.259 1.00 0.00 O ATOM 1189 CB ASP A 75 10.335 -13.886 -0.318 1.00 0.00 C ATOM 1190 CG ASP A 75 10.188 -15.045 0.643 1.00 0.00 C ATOM 1191 OD1 ASP A 75 11.079 -15.232 1.498 1.00 0.00 O ATOM 1192 OD2 ASP A 75 9.190 -15.787 0.534 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.098 -11.319 -0.367 1.00 0.00 O ATOM 0 H ASP A 75 8.379 -11.698 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 75 10.674 -12.597 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.582 -13.972 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.309 -13.944 -0.804 1.00 0.00 H new TER 1198 ASP A 75