USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -148:sc= -0.167 (180deg=-1.92) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 23:sc= 0.468 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -97:sc= -1.91 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -139:sc= -0.23 USER MOD Single : A 34 THR OG1 : rot -40:sc= 0.847 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 42 MET CE :methyl -140:sc= 0 (180deg=-0.59) USER MOD Single : A 43 MET CE :methyl -132:sc= -2.55 (180deg=-4.14!) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0788 USER MOD Single : A 57 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.091) USER MOD Single : A 61 SER OG : rot 180:sc= -0.502 USER MOD Single : A 63 CYS SG : rot 158:sc= 0.0652 USER MOD Single : A 64 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0499 X(o=-0.05,f=-0.058) USER MOD Single : A 70 MET CE :methyl 177:sc= -0.0481 (180deg=-0.0719) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.309 0.151 -0.097 1.00 0.00 N ATOM 2 CA ALA A 1 2.071 0.148 -1.339 1.00 0.00 C ATOM 3 C ALA A 1 2.568 -1.254 -1.675 1.00 0.00 C ATOM 4 O ALA A 1 3.573 -1.714 -1.132 1.00 0.00 O ATOM 5 CB ALA A 1 3.242 1.115 -1.242 1.00 0.00 C ATOM 0 H1 ALA A 1 0.983 1.117 0.108 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.487 -0.479 -0.192 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.913 -0.183 0.681 1.00 0.00 H new ATOM 0 HA ALA A 1 1.410 0.473 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.803 1.103 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.868 2.122 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.895 0.814 -0.423 1.00 0.00 H new ATOM 11 N ASP A 2 1.858 -1.929 -2.572 1.00 0.00 N ATOM 12 CA ASP A 2 2.227 -3.279 -2.981 1.00 0.00 C ATOM 13 C ASP A 2 2.949 -3.262 -4.325 1.00 0.00 C ATOM 14 O ASP A 2 3.018 -2.228 -4.991 1.00 0.00 O ATOM 15 CB ASP A 2 0.985 -4.167 -3.067 1.00 0.00 C ATOM 16 CG ASP A 2 0.058 -3.982 -1.881 1.00 0.00 C ATOM 17 OD1 ASP A 2 0.523 -4.145 -0.734 1.00 0.00 O ATOM 18 OD2 ASP A 2 -1.132 -3.673 -2.101 1.00 0.00 O ATOM 0 H ASP A 2 1.023 -1.563 -3.030 1.00 0.00 H new ATOM 0 HA ASP A 2 2.904 -3.686 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.444 -3.942 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.292 -5.211 -3.125 1.00 0.00 H new ATOM 23 N ASP A 3 3.486 -4.412 -4.717 1.00 0.00 N ATOM 24 CA ASP A 3 4.203 -4.529 -5.982 1.00 0.00 C ATOM 25 C ASP A 3 3.240 -4.441 -7.162 1.00 0.00 C ATOM 26 O ASP A 3 3.414 -3.614 -8.057 1.00 0.00 O ATOM 27 CB ASP A 3 4.975 -5.849 -6.034 1.00 0.00 C ATOM 28 CG ASP A 3 6.060 -5.926 -4.979 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.687 -4.884 -4.695 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.285 -7.030 -4.438 1.00 0.00 O ATOM 0 H ASP A 3 3.439 -5.276 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 3 4.909 -3.701 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.281 -6.678 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.423 -5.966 -7.021 1.00 0.00 H new ATOM 35 N MET A 4 2.226 -5.300 -7.158 1.00 0.00 N ATOM 36 CA MET A 4 1.236 -5.319 -8.228 1.00 0.00 C ATOM 37 C MET A 4 0.673 -3.923 -8.472 1.00 0.00 C ATOM 38 O MET A 4 0.292 -3.585 -9.593 1.00 0.00 O ATOM 39 CB MET A 4 0.102 -6.287 -7.886 1.00 0.00 C ATOM 40 CG MET A 4 0.585 -7.622 -7.342 1.00 0.00 C ATOM 41 SD MET A 4 1.884 -8.355 -8.354 1.00 0.00 S ATOM 42 CE MET A 4 1.107 -8.337 -9.968 1.00 0.00 C ATOM 0 H MET A 4 2.068 -5.992 -6.425 1.00 0.00 H new ATOM 0 HA MET A 4 1.729 -5.657 -9.139 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.554 -5.820 -7.151 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.496 -6.463 -8.780 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.956 -7.483 -6.326 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.257 -8.312 -7.283 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.455 -9.191 -10.549 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.025 -8.394 -9.851 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.368 -7.415 -10.487 1.00 0.00 H new ATOM 52 N GLU A 5 0.624 -3.117 -7.417 1.00 0.00 N ATOM 53 CA GLU A 5 0.105 -1.757 -7.518 1.00 0.00 C ATOM 54 C GLU A 5 0.997 -0.900 -8.412 1.00 0.00 C ATOM 55 O GLU A 5 0.509 -0.095 -9.205 1.00 0.00 O ATOM 56 CB GLU A 5 -0.003 -1.124 -6.129 1.00 0.00 C ATOM 57 CG GLU A 5 -1.123 -0.104 -6.011 1.00 0.00 C ATOM 58 CD GLU A 5 -1.861 -0.198 -4.690 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.050 -1.330 -4.196 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.251 0.858 -4.151 1.00 0.00 O ATOM 0 H GLU A 5 0.937 -3.381 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.888 -1.806 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.160 -1.911 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.943 -0.642 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.709 0.898 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.829 -0.249 -6.829 1.00 0.00 H new ATOM 67 N ARG A 6 2.307 -1.079 -8.277 1.00 0.00 N ATOM 68 CA ARG A 6 3.267 -0.322 -9.070 1.00 0.00 C ATOM 69 C ARG A 6 3.066 -0.580 -10.560 1.00 0.00 C ATOM 70 O ARG A 6 2.794 0.343 -11.329 1.00 0.00 O ATOM 71 CB ARG A 6 4.697 -0.690 -8.667 1.00 0.00 C ATOM 72 CG ARG A 6 5.022 -0.371 -7.217 1.00 0.00 C ATOM 73 CD ARG A 6 5.299 1.112 -7.021 1.00 0.00 C ATOM 74 NE ARG A 6 6.051 1.371 -5.796 1.00 0.00 N ATOM 75 CZ ARG A 6 6.102 2.558 -5.202 1.00 0.00 C ATOM 76 NH1 ARG A 6 5.448 3.589 -5.718 1.00 0.00 N ATOM 77 NH2 ARG A 6 6.807 2.715 -4.089 1.00 0.00 N ATOM 0 H ARG A 6 2.727 -1.742 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 6 3.103 0.738 -8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.851 -1.755 -8.839 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.396 -0.158 -9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.190 -0.674 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.891 -0.949 -6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.857 1.493 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.355 1.656 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 6 6.565 0.598 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.904 3.472 -6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.489 4.500 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.311 1.924 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.845 3.627 -3.634 1.00 0.00 H new ATOM 91 N ILE A 7 3.201 -1.840 -10.961 1.00 0.00 N ATOM 92 CA ILE A 7 3.033 -2.218 -12.358 1.00 0.00 C ATOM 93 C ILE A 7 1.702 -1.716 -12.908 1.00 0.00 C ATOM 94 O ILE A 7 1.643 -1.150 -13.999 1.00 0.00 O ATOM 95 CB ILE A 7 3.107 -3.746 -12.540 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.356 -4.303 -11.855 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.103 -4.104 -14.019 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.072 -4.963 -10.524 1.00 0.00 C ATOM 0 H ILE A 7 3.426 -2.616 -10.338 1.00 0.00 H new ATOM 0 HA ILE A 7 3.850 -1.754 -12.911 1.00 0.00 H new ATOM 0 HB ILE A 7 2.230 -4.196 -12.075 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.831 -5.028 -12.517 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.070 -3.493 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.156 -5.187 -14.131 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.187 -3.736 -14.480 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.964 -3.646 -14.506 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.003 -5.334 -10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.625 -4.236 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.383 -5.795 -10.670 1.00 0.00 H new ATOM 110 N PHE A 8 0.635 -1.926 -12.143 1.00 0.00 N ATOM 111 CA PHE A 8 -0.696 -1.494 -12.553 1.00 0.00 C ATOM 112 C PHE A 8 -0.696 -0.015 -12.927 1.00 0.00 C ATOM 113 O PHE A 8 -1.363 0.397 -13.877 1.00 0.00 O ATOM 114 CB PHE A 8 -1.705 -1.748 -11.431 1.00 0.00 C ATOM 115 CG PHE A 8 -3.069 -1.185 -11.712 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.987 -1.901 -12.464 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.432 0.061 -11.226 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.243 -1.385 -12.724 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.686 0.581 -11.483 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.592 -0.142 -12.234 1.00 0.00 C ATOM 0 H PHE A 8 0.667 -2.392 -11.236 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.985 -2.073 -13.430 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.791 -2.822 -11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.325 -1.314 -10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.718 -2.873 -12.851 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.727 0.632 -10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.950 -1.953 -13.310 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.958 1.552 -11.097 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.572 0.264 -12.438 1.00 0.00 H new ATOM 130 N LYS A 9 0.055 0.780 -12.173 1.00 0.00 N ATOM 131 CA LYS A 9 0.144 2.214 -12.424 1.00 0.00 C ATOM 132 C LYS A 9 1.137 2.510 -13.543 1.00 0.00 C ATOM 133 O LYS A 9 1.101 3.579 -14.151 1.00 0.00 O ATOM 134 CB LYS A 9 0.560 2.951 -11.149 1.00 0.00 C ATOM 135 CG LYS A 9 -0.552 3.063 -10.121 1.00 0.00 C ATOM 136 CD LYS A 9 -0.069 3.737 -8.848 1.00 0.00 C ATOM 137 CE LYS A 9 -0.794 3.201 -7.623 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.966 4.044 -7.258 1.00 0.00 N ATOM 0 H LYS A 9 0.612 0.455 -11.382 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.840 2.565 -12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.408 2.433 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.902 3.952 -11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.382 3.631 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.933 2.069 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.004 3.578 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.226 4.813 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.126 2.181 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.102 3.157 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.433 3.645 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.646 5.011 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.639 4.065 -8.051 1.00 0.00 H new ATOM 152 N ARG A 10 2.023 1.556 -13.809 1.00 0.00 N ATOM 153 CA ARG A 10 3.027 1.715 -14.855 1.00 0.00 C ATOM 154 C ARG A 10 2.371 2.060 -16.189 1.00 0.00 C ATOM 155 O ARG A 10 2.773 3.009 -16.863 1.00 0.00 O ATOM 156 CB ARG A 10 3.854 0.436 -14.996 1.00 0.00 C ATOM 157 CG ARG A 10 5.231 0.665 -15.597 1.00 0.00 C ATOM 158 CD ARG A 10 5.853 -0.637 -16.078 1.00 0.00 C ATOM 159 NE ARG A 10 7.299 -0.524 -16.245 1.00 0.00 N ATOM 160 CZ ARG A 10 8.114 -1.571 -16.318 1.00 0.00 C ATOM 161 NH1 ARG A 10 7.627 -2.801 -16.240 1.00 0.00 N ATOM 162 NH2 ARG A 10 9.419 -1.387 -16.470 1.00 0.00 N ATOM 0 H ARG A 10 2.066 0.665 -13.315 1.00 0.00 H new ATOM 0 HA ARG A 10 3.686 2.535 -14.571 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.967 -0.024 -14.014 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.308 -0.273 -15.619 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.154 1.362 -16.431 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.881 1.127 -14.854 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.632 -1.430 -15.364 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.400 -0.926 -17.026 1.00 0.00 H new ATOM 0 HE ARG A 10 7.706 0.409 -16.309 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.624 -2.946 -16.124 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.255 -3.603 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.797 -0.442 -16.531 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.044 -2.191 -16.526 1.00 0.00 H new ATOM 176 N PHE A 11 1.361 1.283 -16.564 1.00 0.00 N ATOM 177 CA PHE A 11 0.651 1.505 -17.818 1.00 0.00 C ATOM 178 C PHE A 11 -0.443 2.556 -17.645 1.00 0.00 C ATOM 179 O PHE A 11 -0.931 3.125 -18.622 1.00 0.00 O ATOM 180 CB PHE A 11 0.040 0.196 -18.322 1.00 0.00 C ATOM 181 CG PHE A 11 1.021 -0.940 -18.378 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.367 -0.700 -18.603 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.597 -2.248 -18.206 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.272 -1.744 -18.655 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.497 -3.296 -18.257 1.00 0.00 C ATOM 186 CZ PHE A 11 2.836 -3.043 -18.481 1.00 0.00 C ATOM 0 H PHE A 11 1.016 0.494 -16.018 1.00 0.00 H new ATOM 0 HA PHE A 11 1.369 1.870 -18.553 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.790 -0.082 -17.672 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.375 0.357 -19.317 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.713 0.314 -18.739 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.449 -2.451 -18.030 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.319 -1.544 -18.831 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.154 -4.311 -18.122 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.541 -3.860 -18.520 1.00 0.00 H new ATOM 196 N ASP A 12 -0.821 2.807 -16.397 1.00 0.00 N ATOM 197 CA ASP A 12 -1.856 3.789 -16.095 1.00 0.00 C ATOM 198 C ASP A 12 -1.276 5.199 -16.067 1.00 0.00 C ATOM 199 O ASP A 12 -1.383 5.907 -15.065 1.00 0.00 O ATOM 200 CB ASP A 12 -2.517 3.469 -14.753 1.00 0.00 C ATOM 201 CG ASP A 12 -3.869 4.136 -14.599 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.778 3.825 -15.397 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.018 4.971 -13.683 1.00 0.00 O ATOM 0 H ASP A 12 -0.427 2.344 -15.578 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.608 3.741 -16.882 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.635 2.390 -14.658 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.862 3.791 -13.943 1.00 0.00 H new ATOM 208 N THR A 13 -0.658 5.602 -17.174 1.00 0.00 N ATOM 209 CA THR A 13 -0.058 6.926 -17.275 1.00 0.00 C ATOM 210 C THR A 13 -1.001 7.905 -17.967 1.00 0.00 C ATOM 211 O THR A 13 -0.614 9.025 -18.295 1.00 0.00 O ATOM 212 CB THR A 13 1.274 6.881 -18.048 1.00 0.00 C ATOM 213 OG1 THR A 13 2.008 5.705 -17.690 1.00 0.00 O ATOM 214 CG2 THR A 13 2.111 8.117 -17.754 1.00 0.00 C ATOM 0 H THR A 13 -0.560 5.030 -18.013 1.00 0.00 H new ATOM 0 HA THR A 13 0.132 7.266 -16.257 1.00 0.00 H new ATOM 0 HB THR A 13 1.050 6.858 -19.115 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.853 5.683 -18.187 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.047 8.064 -18.310 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.561 9.009 -18.054 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.326 8.165 -16.687 1.00 0.00 H new ATOM 222 N ASN A 14 -2.239 7.474 -18.183 1.00 0.00 N ATOM 223 CA ASN A 14 -3.237 8.313 -18.836 1.00 0.00 C ATOM 224 C ASN A 14 -4.113 9.018 -17.805 1.00 0.00 C ATOM 225 O ASN A 14 -4.753 10.026 -18.103 1.00 0.00 O ATOM 226 CB ASN A 14 -4.108 7.473 -19.772 1.00 0.00 C ATOM 227 CG ASN A 14 -3.337 6.334 -20.411 1.00 0.00 C ATOM 228 OD1 ASN A 14 -2.741 6.494 -21.476 1.00 0.00 O ATOM 229 ND2 ASN A 14 -3.347 5.175 -19.762 1.00 0.00 N ATOM 0 H ASN A 14 -2.575 6.549 -17.916 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.713 9.069 -19.420 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.952 7.069 -19.213 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.520 8.113 -20.553 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.847 4.372 -20.144 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.855 5.088 -18.882 1.00 0.00 H new ATOM 236 N GLY A 15 -4.135 8.481 -16.588 1.00 0.00 N ATOM 237 CA GLY A 15 -4.935 9.072 -15.531 1.00 0.00 C ATOM 238 C GLY A 15 -6.281 8.394 -15.375 1.00 0.00 C ATOM 239 O GLY A 15 -7.187 8.936 -14.741 1.00 0.00 O ATOM 0 H GLY A 15 -3.613 7.648 -16.316 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.390 9.011 -14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.087 10.130 -15.743 1.00 0.00 H new ATOM 243 N ASP A 16 -6.415 7.207 -15.955 1.00 0.00 N ATOM 244 CA ASP A 16 -7.662 6.454 -15.879 1.00 0.00 C ATOM 245 C ASP A 16 -7.600 5.412 -14.766 1.00 0.00 C ATOM 246 O ASP A 16 -6.566 5.238 -14.122 1.00 0.00 O ATOM 247 CB ASP A 16 -7.954 5.773 -17.216 1.00 0.00 C ATOM 248 CG ASP A 16 -9.440 5.608 -17.470 1.00 0.00 C ATOM 249 OD1 ASP A 16 -10.102 6.618 -17.790 1.00 0.00 O ATOM 250 OD2 ASP A 16 -9.941 4.471 -17.347 1.00 0.00 O ATOM 0 H ASP A 16 -5.675 6.745 -16.483 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.467 7.153 -15.653 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.513 6.359 -18.023 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.474 4.794 -17.234 1.00 0.00 H new ATOM 255 N GLY A 17 -8.715 4.723 -14.544 1.00 0.00 N ATOM 256 CA GLY A 17 -8.767 3.708 -13.508 1.00 0.00 C ATOM 257 C GLY A 17 -8.500 2.316 -14.046 1.00 0.00 C ATOM 258 O GLY A 17 -8.753 1.321 -13.367 1.00 0.00 O ATOM 0 H GLY A 17 -9.584 4.850 -15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.034 3.943 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.748 3.728 -13.032 1.00 0.00 H new ATOM 262 N LYS A 18 -7.990 2.245 -15.271 1.00 0.00 N ATOM 263 CA LYS A 18 -7.690 0.965 -15.902 1.00 0.00 C ATOM 264 C LYS A 18 -6.466 1.078 -16.806 1.00 0.00 C ATOM 265 O LYS A 18 -5.981 2.177 -17.074 1.00 0.00 O ATOM 266 CB LYS A 18 -8.893 0.477 -16.712 1.00 0.00 C ATOM 267 CG LYS A 18 -10.202 0.519 -15.943 1.00 0.00 C ATOM 268 CD LYS A 18 -11.385 0.191 -16.837 1.00 0.00 C ATOM 269 CE LYS A 18 -12.149 1.445 -17.234 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.509 1.127 -17.748 1.00 0.00 N ATOM 0 H LYS A 18 -7.776 3.059 -15.847 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.473 0.242 -15.115 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.989 1.089 -17.609 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.708 -0.545 -17.042 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.162 -0.190 -15.116 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.337 1.509 -15.508 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.034 -0.321 -17.733 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.055 -0.495 -16.319 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.232 2.107 -16.372 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.589 1.985 -17.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.997 2.008 -18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.429 0.516 -18.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.053 0.635 -17.011 1.00 0.00 H new ATOM 284 N ILE A 19 -5.974 -0.065 -17.273 1.00 0.00 N ATOM 285 CA ILE A 19 -4.809 -0.092 -18.149 1.00 0.00 C ATOM 286 C ILE A 19 -5.039 -1.016 -19.340 1.00 0.00 C ATOM 287 O ILE A 19 -5.595 -2.105 -19.196 1.00 0.00 O ATOM 288 CB ILE A 19 -3.548 -0.551 -17.394 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.782 -1.920 -16.750 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.158 0.475 -16.341 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.599 -2.423 -15.953 1.00 0.00 C ATOM 0 H ILE A 19 -6.363 -0.983 -17.060 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.658 0.927 -18.506 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.729 -0.641 -18.107 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.652 -1.861 -16.096 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.018 -2.644 -17.530 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.265 0.136 -15.816 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.955 1.431 -16.823 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.974 0.594 -15.629 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.836 -3.397 -15.526 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.732 -2.515 -16.607 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.375 -1.720 -15.151 1.00 0.00 H new ATOM 303 N SER A 20 -4.607 -0.574 -20.517 1.00 0.00 N ATOM 304 CA SER A 20 -4.767 -1.361 -21.734 1.00 0.00 C ATOM 305 C SER A 20 -4.116 -2.732 -21.585 1.00 0.00 C ATOM 306 O SER A 20 -2.918 -2.838 -21.322 1.00 0.00 O ATOM 307 CB SER A 20 -4.158 -0.622 -22.928 1.00 0.00 C ATOM 308 OG SER A 20 -5.019 -0.673 -24.052 1.00 0.00 O ATOM 0 H SER A 20 -4.144 0.324 -20.653 1.00 0.00 H new ATOM 0 HA SER A 20 -5.834 -1.502 -21.908 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.968 0.417 -22.658 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.196 -1.066 -23.183 1.00 0.00 H new ATOM 0 HG SER A 20 -5.937 -0.841 -23.753 1.00 0.00 H new ATOM 314 N LEU A 21 -4.915 -3.780 -21.754 1.00 0.00 N ATOM 315 CA LEU A 21 -4.418 -5.147 -21.639 1.00 0.00 C ATOM 316 C LEU A 21 -3.831 -5.627 -22.963 1.00 0.00 C ATOM 317 O LEU A 21 -3.099 -6.615 -23.007 1.00 0.00 O ATOM 318 CB LEU A 21 -5.543 -6.084 -21.197 1.00 0.00 C ATOM 319 CG LEU A 21 -6.923 -5.805 -21.795 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.880 -5.913 -23.311 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.957 -6.760 -21.219 1.00 0.00 C ATOM 0 H LEU A 21 -5.909 -3.710 -21.971 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.628 -5.158 -20.888 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.259 -7.105 -21.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.623 -6.036 -20.111 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.212 -4.787 -21.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.871 -5.711 -23.718 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.170 -5.187 -23.707 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.568 -6.918 -23.595 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.933 -6.547 -21.656 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.673 -7.787 -21.450 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.008 -6.632 -20.138 1.00 0.00 H new ATOM 333 N SER A 22 -4.156 -4.919 -24.040 1.00 0.00 N ATOM 334 CA SER A 22 -3.663 -5.273 -25.365 1.00 0.00 C ATOM 335 C SER A 22 -2.247 -4.745 -25.577 1.00 0.00 C ATOM 336 O SER A 22 -1.377 -5.455 -26.079 1.00 0.00 O ATOM 337 CB SER A 22 -4.594 -4.717 -26.444 1.00 0.00 C ATOM 338 OG SER A 22 -5.718 -5.560 -26.631 1.00 0.00 O ATOM 0 H SER A 22 -4.759 -4.097 -24.020 1.00 0.00 H new ATOM 0 HA SER A 22 -3.641 -6.360 -25.439 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.927 -3.718 -26.162 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.049 -4.618 -27.383 1.00 0.00 H new ATOM 0 HG SER A 22 -6.299 -5.182 -27.324 1.00 0.00 H new ATOM 344 N GLU A 23 -2.026 -3.492 -25.191 1.00 0.00 N ATOM 345 CA GLU A 23 -0.717 -2.867 -25.339 1.00 0.00 C ATOM 346 C GLU A 23 0.299 -3.502 -24.394 1.00 0.00 C ATOM 347 O GLU A 23 1.501 -3.501 -24.664 1.00 0.00 O ATOM 348 CB GLU A 23 -0.811 -1.364 -25.070 1.00 0.00 C ATOM 349 CG GLU A 23 -1.792 -0.643 -25.978 1.00 0.00 C ATOM 350 CD GLU A 23 -1.185 -0.272 -27.317 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.080 -0.768 -27.624 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.812 0.514 -28.057 1.00 0.00 O ATOM 0 H GLU A 23 -2.736 -2.890 -24.774 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.382 -3.024 -26.364 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.107 -1.207 -24.033 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.177 -0.919 -25.191 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.663 -1.277 -26.142 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.145 0.260 -25.481 1.00 0.00 H new ATOM 359 N LEU A 24 -0.192 -4.043 -23.284 1.00 0.00 N ATOM 360 CA LEU A 24 0.672 -4.681 -22.297 1.00 0.00 C ATOM 361 C LEU A 24 1.402 -5.875 -22.903 1.00 0.00 C ATOM 362 O LEU A 24 2.632 -5.897 -22.971 1.00 0.00 O ATOM 363 CB LEU A 24 -0.148 -5.131 -21.087 1.00 0.00 C ATOM 364 CG LEU A 24 0.518 -6.155 -20.167 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.263 -7.568 -20.669 1.00 0.00 C ATOM 366 CD2 LEU A 24 2.012 -5.885 -20.063 1.00 0.00 C ATOM 0 H LEU A 24 -1.184 -4.052 -23.045 1.00 0.00 H new ATOM 0 HA LEU A 24 1.414 -3.951 -21.974 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.399 -4.250 -20.496 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.087 -5.552 -21.446 1.00 0.00 H new ATOM 0 HG LEU A 24 0.082 -6.061 -19.173 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.744 -8.283 -20.002 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.810 -7.758 -20.692 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.672 -7.677 -21.674 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.470 -6.623 -19.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.464 -5.952 -21.053 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.174 -4.886 -19.657 1.00 0.00 H new ATOM 378 N THR A 25 0.637 -6.868 -23.345 1.00 0.00 N ATOM 379 CA THR A 25 1.210 -8.065 -23.947 1.00 0.00 C ATOM 380 C THR A 25 2.160 -7.708 -25.084 1.00 0.00 C ATOM 381 O THR A 25 3.184 -8.363 -25.279 1.00 0.00 O ATOM 382 CB THR A 25 0.113 -9.004 -24.485 1.00 0.00 C ATOM 383 OG1 THR A 25 0.697 -10.014 -25.315 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.924 -8.224 -25.280 1.00 0.00 C ATOM 0 H THR A 25 -0.382 -6.867 -23.297 1.00 0.00 H new ATOM 0 HA THR A 25 1.765 -8.579 -23.162 1.00 0.00 H new ATOM 0 HB THR A 25 -0.382 -9.474 -23.635 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.623 -9.748 -26.255 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.688 -8.907 -25.650 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.387 -7.475 -24.638 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.440 -7.730 -26.123 1.00 0.00 H new ATOM 392 N ASP A 26 1.814 -6.667 -25.833 1.00 0.00 N ATOM 393 CA ASP A 26 2.638 -6.221 -26.950 1.00 0.00 C ATOM 394 C ASP A 26 3.830 -5.407 -26.456 1.00 0.00 C ATOM 395 O ASP A 26 4.830 -5.263 -27.159 1.00 0.00 O ATOM 396 CB ASP A 26 1.805 -5.388 -27.926 1.00 0.00 C ATOM 397 CG ASP A 26 2.351 -5.434 -29.339 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.505 -5.003 -29.543 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.624 -5.899 -30.242 1.00 0.00 O ATOM 0 H ASP A 26 0.968 -6.116 -25.687 1.00 0.00 H new ATOM 0 HA ASP A 26 3.014 -7.104 -27.467 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.778 -5.752 -27.925 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.777 -4.353 -27.584 1.00 0.00 H new ATOM 404 N ALA A 27 3.716 -4.877 -25.243 1.00 0.00 N ATOM 405 CA ALA A 27 4.784 -4.079 -24.655 1.00 0.00 C ATOM 406 C ALA A 27 5.792 -4.962 -23.927 1.00 0.00 C ATOM 407 O ALA A 27 6.972 -4.621 -23.826 1.00 0.00 O ATOM 408 CB ALA A 27 4.206 -3.041 -23.704 1.00 0.00 C ATOM 0 H ALA A 27 2.894 -4.986 -24.648 1.00 0.00 H new ATOM 0 HA ALA A 27 5.306 -3.565 -25.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.015 -2.452 -23.272 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.530 -2.383 -24.251 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.658 -3.543 -22.907 1.00 0.00 H new ATOM 414 N LEU A 28 5.321 -6.096 -23.421 1.00 0.00 N ATOM 415 CA LEU A 28 6.182 -7.028 -22.701 1.00 0.00 C ATOM 416 C LEU A 28 7.425 -7.364 -23.518 1.00 0.00 C ATOM 417 O LEU A 28 8.462 -7.733 -22.967 1.00 0.00 O ATOM 418 CB LEU A 28 5.414 -8.309 -22.369 1.00 0.00 C ATOM 419 CG LEU A 28 4.747 -8.355 -20.995 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.903 -9.613 -20.852 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.793 -8.285 -19.891 1.00 0.00 C ATOM 0 H LEU A 28 4.348 -6.393 -23.496 1.00 0.00 H new ATOM 0 HA LEU A 28 6.498 -6.550 -21.774 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.646 -8.455 -23.128 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.102 -9.151 -22.445 1.00 0.00 H new ATOM 0 HG LEU A 28 4.091 -7.489 -20.903 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.436 -9.628 -19.867 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.130 -9.622 -21.620 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.538 -10.492 -20.966 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.300 -8.319 -18.920 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.475 -9.131 -19.982 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.355 -7.355 -19.980 1.00 0.00 H new ATOM 433 N ARG A 29 7.314 -7.231 -24.836 1.00 0.00 N ATOM 434 CA ARG A 29 8.430 -7.519 -25.729 1.00 0.00 C ATOM 435 C ARG A 29 9.605 -6.587 -25.449 1.00 0.00 C ATOM 436 O ARG A 29 10.766 -6.982 -25.562 1.00 0.00 O ATOM 437 CB ARG A 29 7.991 -7.380 -27.188 1.00 0.00 C ATOM 438 CG ARG A 29 7.732 -5.943 -27.612 1.00 0.00 C ATOM 439 CD ARG A 29 7.050 -5.877 -28.969 1.00 0.00 C ATOM 440 NE ARG A 29 7.989 -5.552 -30.040 1.00 0.00 N ATOM 441 CZ ARG A 29 7.629 -5.381 -31.307 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.357 -5.503 -31.660 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.542 -5.087 -32.223 1.00 0.00 N ATOM 0 H ARG A 29 6.463 -6.926 -25.309 1.00 0.00 H new ATOM 0 HA ARG A 29 8.752 -8.545 -25.549 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.760 -7.807 -27.832 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.084 -7.965 -27.343 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.109 -5.449 -26.866 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.675 -5.398 -27.651 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.574 -6.834 -29.182 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.259 -5.127 -28.941 1.00 0.00 H new ATOM 0 HE ARG A 29 8.976 -5.451 -29.802 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.652 -5.729 -30.958 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.083 -5.371 -32.634 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.521 -4.992 -31.955 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.265 -4.956 -33.196 1.00 0.00 H new ATOM 457 N THR A 30 9.297 -5.346 -25.084 1.00 0.00 N ATOM 458 CA THR A 30 10.326 -4.358 -24.789 1.00 0.00 C ATOM 459 C THR A 30 10.934 -4.591 -23.411 1.00 0.00 C ATOM 460 O THR A 30 12.077 -4.212 -23.153 1.00 0.00 O ATOM 461 CB THR A 30 9.764 -2.925 -24.855 1.00 0.00 C ATOM 462 OG1 THR A 30 10.801 -2.009 -25.222 1.00 0.00 O ATOM 463 CG2 THR A 30 9.169 -2.515 -23.516 1.00 0.00 C ATOM 0 H THR A 30 8.342 -5.002 -24.986 1.00 0.00 H new ATOM 0 HA THR A 30 11.100 -4.472 -25.548 1.00 0.00 H new ATOM 0 HB THR A 30 8.976 -2.902 -25.607 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.436 -1.101 -25.263 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.779 -1.500 -23.587 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.361 -3.197 -23.253 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.941 -2.554 -22.748 1.00 0.00 H new ATOM 471 N LEU A 31 10.163 -5.217 -22.528 1.00 0.00 N ATOM 472 CA LEU A 31 10.627 -5.501 -21.174 1.00 0.00 C ATOM 473 C LEU A 31 11.545 -6.719 -21.158 1.00 0.00 C ATOM 474 O LEU A 31 12.083 -7.090 -20.115 1.00 0.00 O ATOM 475 CB LEU A 31 9.434 -5.735 -20.245 1.00 0.00 C ATOM 476 CG LEU A 31 8.996 -4.537 -19.401 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.132 -4.071 -18.505 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.519 -3.402 -20.295 1.00 0.00 C ATOM 0 H LEU A 31 9.215 -5.537 -22.725 1.00 0.00 H new ATOM 0 HA LEU A 31 11.192 -4.639 -20.820 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.586 -6.058 -20.849 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.678 -6.558 -19.573 1.00 0.00 H new ATOM 0 HG LEU A 31 8.166 -4.847 -18.767 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.801 -3.218 -17.912 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.427 -4.883 -17.840 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.983 -3.778 -19.119 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.211 -2.558 -19.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.330 -3.093 -20.954 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.674 -3.741 -20.894 1.00 0.00 H new ATOM 490 N GLY A 32 11.722 -7.336 -22.322 1.00 0.00 N ATOM 491 CA GLY A 32 12.578 -8.504 -22.420 1.00 0.00 C ATOM 492 C GLY A 32 11.829 -9.795 -22.157 1.00 0.00 C ATOM 493 O GLY A 32 12.437 -10.856 -22.018 1.00 0.00 O ATOM 0 H GLY A 32 11.288 -7.048 -23.199 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.023 -8.542 -23.414 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.397 -8.411 -21.707 1.00 0.00 H new ATOM 497 N SER A 33 10.505 -9.706 -22.088 1.00 0.00 N ATOM 498 CA SER A 33 9.672 -10.876 -21.835 1.00 0.00 C ATOM 499 C SER A 33 9.468 -11.684 -23.112 1.00 0.00 C ATOM 500 O SER A 33 9.059 -11.147 -24.143 1.00 0.00 O ATOM 501 CB SER A 33 8.317 -10.450 -21.265 1.00 0.00 C ATOM 502 OG SER A 33 8.228 -10.750 -19.883 1.00 0.00 O ATOM 0 H SER A 33 9.986 -8.836 -22.204 1.00 0.00 H new ATOM 0 HA SER A 33 10.183 -11.505 -21.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.175 -9.380 -21.418 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.517 -10.958 -21.803 1.00 0.00 H new ATOM 0 HG SER A 33 7.335 -11.098 -19.681 1.00 0.00 H new ATOM 508 N THR A 34 9.755 -12.980 -23.038 1.00 0.00 N ATOM 509 CA THR A 34 9.604 -13.863 -24.187 1.00 0.00 C ATOM 510 C THR A 34 8.273 -14.604 -24.141 1.00 0.00 C ATOM 511 O THR A 34 8.091 -15.617 -24.816 1.00 0.00 O ATOM 512 CB THR A 34 10.749 -14.892 -24.259 1.00 0.00 C ATOM 513 OG1 THR A 34 10.680 -15.616 -25.492 1.00 0.00 O ATOM 514 CG2 THR A 34 10.677 -15.863 -23.090 1.00 0.00 C ATOM 0 H THR A 34 10.094 -13.441 -22.194 1.00 0.00 H new ATOM 0 HA THR A 34 9.635 -13.232 -25.076 1.00 0.00 H new ATOM 0 HB THR A 34 11.696 -14.354 -24.207 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.744 -15.822 -25.698 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.495 -16.580 -23.162 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.759 -15.312 -22.153 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.726 -16.394 -23.116 1.00 0.00 H new ATOM 522 N SER A 35 7.344 -14.092 -23.340 1.00 0.00 N ATOM 523 CA SER A 35 6.029 -14.708 -23.203 1.00 0.00 C ATOM 524 C SER A 35 4.930 -13.744 -23.640 1.00 0.00 C ATOM 525 O SER A 35 3.812 -13.786 -23.127 1.00 0.00 O ATOM 526 CB SER A 35 5.794 -15.144 -21.756 1.00 0.00 C ATOM 527 OG SER A 35 6.832 -15.998 -21.306 1.00 0.00 O ATOM 0 H SER A 35 7.477 -13.253 -22.776 1.00 0.00 H new ATOM 0 HA SER A 35 5.997 -15.586 -23.849 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.737 -14.266 -21.113 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.836 -15.659 -21.679 1.00 0.00 H new ATOM 0 HG SER A 35 6.660 -16.261 -20.378 1.00 0.00 H new ATOM 533 N ALA A 36 5.257 -12.875 -24.591 1.00 0.00 N ATOM 534 CA ALA A 36 4.298 -11.902 -25.099 1.00 0.00 C ATOM 535 C ALA A 36 3.146 -12.592 -25.823 1.00 0.00 C ATOM 536 O ALA A 36 2.036 -12.064 -25.887 1.00 0.00 O ATOM 537 CB ALA A 36 4.990 -10.914 -26.026 1.00 0.00 C ATOM 0 H ALA A 36 6.179 -12.825 -25.025 1.00 0.00 H new ATOM 0 HA ALA A 36 3.885 -11.359 -24.249 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.262 -10.193 -26.398 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.773 -10.389 -25.479 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.431 -11.451 -26.866 1.00 0.00 H new ATOM 543 N ASP A 37 3.418 -13.773 -26.366 1.00 0.00 N ATOM 544 CA ASP A 37 2.404 -14.535 -27.086 1.00 0.00 C ATOM 545 C ASP A 37 1.554 -15.355 -26.120 1.00 0.00 C ATOM 546 O ASP A 37 0.371 -15.588 -26.365 1.00 0.00 O ATOM 547 CB ASP A 37 3.062 -15.456 -28.114 1.00 0.00 C ATOM 548 CG ASP A 37 2.123 -16.541 -28.604 1.00 0.00 C ATOM 549 OD1 ASP A 37 1.317 -16.261 -29.516 1.00 0.00 O ATOM 550 OD2 ASP A 37 2.195 -17.670 -28.076 1.00 0.00 O ATOM 0 H ASP A 37 4.332 -14.224 -26.322 1.00 0.00 H new ATOM 0 HA ASP A 37 1.755 -13.830 -27.605 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.402 -14.863 -28.963 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.946 -15.917 -27.672 1.00 0.00 H new ATOM 555 N GLU A 38 2.167 -15.790 -25.023 1.00 0.00 N ATOM 556 CA GLU A 38 1.466 -16.585 -24.022 1.00 0.00 C ATOM 557 C GLU A 38 0.702 -15.688 -23.051 1.00 0.00 C ATOM 558 O GLU A 38 -0.315 -16.090 -22.487 1.00 0.00 O ATOM 559 CB GLU A 38 2.454 -17.463 -23.252 1.00 0.00 C ATOM 560 CG GLU A 38 1.785 -18.478 -22.341 1.00 0.00 C ATOM 561 CD GLU A 38 1.497 -19.791 -23.042 1.00 0.00 C ATOM 562 OE1 GLU A 38 2.442 -20.384 -23.603 1.00 0.00 O ATOM 563 OE2 GLU A 38 0.326 -20.225 -23.032 1.00 0.00 O ATOM 0 H GLU A 38 3.146 -15.605 -24.806 1.00 0.00 H new ATOM 0 HA GLU A 38 0.750 -17.224 -24.539 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.090 -17.990 -23.964 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.105 -16.825 -22.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.425 -18.664 -21.479 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.852 -18.061 -21.962 1.00 0.00 H new ATOM 570 N VAL A 39 1.202 -14.471 -22.862 1.00 0.00 N ATOM 571 CA VAL A 39 0.568 -13.517 -21.961 1.00 0.00 C ATOM 572 C VAL A 39 -0.685 -12.917 -22.588 1.00 0.00 C ATOM 573 O VAL A 39 -1.666 -12.643 -21.898 1.00 0.00 O ATOM 574 CB VAL A 39 1.533 -12.378 -21.579 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.828 -11.502 -22.787 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.958 -11.553 -20.438 1.00 0.00 C ATOM 0 H VAL A 39 2.044 -14.123 -23.321 1.00 0.00 H new ATOM 0 HA VAL A 39 0.293 -14.067 -21.061 1.00 0.00 H new ATOM 0 HB VAL A 39 2.472 -12.817 -21.241 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.511 -10.703 -22.499 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.286 -12.105 -23.571 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.899 -11.069 -23.158 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.653 -10.753 -20.181 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.005 -11.122 -20.745 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.803 -12.192 -19.569 1.00 0.00 H new ATOM 586 N GLN A 40 -0.645 -12.716 -23.902 1.00 0.00 N ATOM 587 CA GLN A 40 -1.778 -12.148 -24.622 1.00 0.00 C ATOM 588 C GLN A 40 -3.041 -12.970 -24.386 1.00 0.00 C ATOM 589 O GLN A 40 -4.127 -12.419 -24.206 1.00 0.00 O ATOM 590 CB GLN A 40 -1.474 -12.079 -26.120 1.00 0.00 C ATOM 591 CG GLN A 40 -2.713 -12.157 -26.997 1.00 0.00 C ATOM 592 CD GLN A 40 -2.386 -12.097 -28.476 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.357 -12.830 -28.885 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -3.051 -11.400 -29.243 1.00 0.00 N flip ATOM 0 H GLN A 40 0.159 -12.938 -24.489 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.947 -11.139 -24.245 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.947 -11.149 -26.333 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.801 -12.895 -26.383 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.246 -13.083 -26.784 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.385 -11.337 -26.744 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.834 -10.852 -28.885 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.819 -11.370 -30.236 1.00 0.00 H new ATOM 603 N ARG A 41 -2.891 -14.291 -24.388 1.00 0.00 N ATOM 604 CA ARG A 41 -4.020 -15.188 -24.175 1.00 0.00 C ATOM 605 C ARG A 41 -4.377 -15.270 -22.694 1.00 0.00 C ATOM 606 O ARG A 41 -5.493 -15.646 -22.335 1.00 0.00 O ATOM 607 CB ARG A 41 -3.697 -16.584 -24.711 1.00 0.00 C ATOM 608 CG ARG A 41 -2.423 -17.179 -24.133 1.00 0.00 C ATOM 609 CD ARG A 41 -2.120 -18.541 -24.737 1.00 0.00 C ATOM 610 NE ARG A 41 -2.299 -18.550 -26.186 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.486 -19.656 -26.897 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.520 -20.837 -26.295 1.00 0.00 N ATOM 613 NH2 ARG A 41 -2.641 -19.583 -28.213 1.00 0.00 N ATOM 0 H ARG A 41 -1.999 -14.763 -24.535 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.877 -14.788 -24.716 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.531 -17.250 -24.491 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.605 -16.535 -25.796 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.588 -16.504 -24.319 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.522 -17.273 -23.052 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.095 -18.824 -24.497 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.771 -19.290 -24.287 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.279 -17.658 -26.679 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.402 -20.897 -25.284 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.664 -21.685 -26.843 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.617 -18.676 -28.680 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.785 -20.433 -28.758 1.00 0.00 H new ATOM 627 N MET A 42 -3.423 -14.917 -21.840 1.00 0.00 N ATOM 628 CA MET A 42 -3.638 -14.950 -20.398 1.00 0.00 C ATOM 629 C MET A 42 -4.414 -13.721 -19.935 1.00 0.00 C ATOM 630 O MET A 42 -5.418 -13.838 -19.233 1.00 0.00 O ATOM 631 CB MET A 42 -2.298 -15.028 -19.663 1.00 0.00 C ATOM 632 CG MET A 42 -1.565 -16.342 -19.874 1.00 0.00 C ATOM 633 SD MET A 42 -2.089 -17.624 -18.718 1.00 0.00 S ATOM 634 CE MET A 42 -1.209 -19.043 -19.365 1.00 0.00 C ATOM 0 H MET A 42 -2.493 -14.605 -22.121 1.00 0.00 H new ATOM 0 HA MET A 42 -4.225 -15.838 -20.164 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.661 -14.209 -19.997 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.469 -14.884 -18.596 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.733 -16.687 -20.894 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.493 -16.177 -19.766 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.852 -19.922 -19.318 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.927 -18.855 -20.401 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.312 -19.217 -18.771 1.00 0.00 H new ATOM 644 N MET A 43 -3.942 -12.544 -20.334 1.00 0.00 N ATOM 645 CA MET A 43 -4.594 -11.294 -19.960 1.00 0.00 C ATOM 646 C MET A 43 -6.063 -11.303 -20.371 1.00 0.00 C ATOM 647 O MET A 43 -6.883 -10.590 -19.793 1.00 0.00 O ATOM 648 CB MET A 43 -3.878 -10.108 -20.608 1.00 0.00 C ATOM 649 CG MET A 43 -3.669 -10.268 -22.105 1.00 0.00 C ATOM 650 SD MET A 43 -5.010 -9.553 -23.075 1.00 0.00 S ATOM 651 CE MET A 43 -4.244 -9.454 -24.691 1.00 0.00 C ATOM 0 H MET A 43 -3.112 -12.430 -20.915 1.00 0.00 H new ATOM 0 HA MET A 43 -4.539 -11.194 -18.876 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.455 -9.202 -20.425 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.910 -9.972 -20.127 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.729 -9.796 -22.389 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.578 -11.328 -22.344 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.411 -8.463 -25.113 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.173 -9.633 -24.598 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.682 -10.206 -25.348 1.00 0.00 H new ATOM 661 N ALA A 44 -6.388 -12.114 -21.372 1.00 0.00 N ATOM 662 CA ALA A 44 -7.758 -12.216 -21.859 1.00 0.00 C ATOM 663 C ALA A 44 -8.653 -12.909 -20.837 1.00 0.00 C ATOM 664 O ALA A 44 -9.874 -12.762 -20.868 1.00 0.00 O ATOM 665 CB ALA A 44 -7.793 -12.960 -23.185 1.00 0.00 C ATOM 0 H ALA A 44 -5.721 -12.710 -21.862 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.139 -11.206 -22.012 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.822 -13.029 -23.537 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.194 -12.422 -23.920 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.388 -13.963 -23.050 1.00 0.00 H new ATOM 671 N GLU A 45 -8.037 -13.665 -19.933 1.00 0.00 N ATOM 672 CA GLU A 45 -8.779 -14.382 -18.903 1.00 0.00 C ATOM 673 C GLU A 45 -9.310 -13.418 -17.845 1.00 0.00 C ATOM 674 O GLU A 45 -10.477 -13.486 -17.458 1.00 0.00 O ATOM 675 CB GLU A 45 -7.891 -15.440 -18.246 1.00 0.00 C ATOM 676 CG GLU A 45 -7.497 -16.570 -19.182 1.00 0.00 C ATOM 677 CD GLU A 45 -8.485 -17.720 -19.158 1.00 0.00 C ATOM 678 OE1 GLU A 45 -8.548 -18.426 -18.130 1.00 0.00 O ATOM 679 OE2 GLU A 45 -9.195 -17.913 -20.167 1.00 0.00 O ATOM 0 H GLU A 45 -7.026 -13.796 -19.893 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.627 -14.875 -19.379 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.988 -14.961 -17.868 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.414 -15.858 -17.386 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.419 -16.184 -20.198 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.509 -16.939 -18.905 1.00 0.00 H new ATOM 686 N ILE A 46 -8.444 -12.524 -17.381 1.00 0.00 N ATOM 687 CA ILE A 46 -8.824 -11.547 -16.368 1.00 0.00 C ATOM 688 C ILE A 46 -9.841 -10.552 -16.919 1.00 0.00 C ATOM 689 O ILE A 46 -10.675 -10.030 -16.181 1.00 0.00 O ATOM 690 CB ILE A 46 -7.600 -10.775 -15.843 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.855 -10.108 -17.000 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.674 -11.708 -15.077 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.770 -9.153 -16.551 1.00 0.00 C ATOM 0 H ILE A 46 -7.474 -12.456 -17.690 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.272 -12.104 -15.545 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.945 -9.997 -15.162 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.411 -10.880 -17.628 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.571 -9.567 -17.618 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.813 -11.148 -14.712 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.210 -12.140 -14.232 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.334 -12.506 -15.737 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.284 -8.717 -17.424 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.211 -8.360 -15.947 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.032 -9.693 -15.958 1.00 0.00 H new ATOM 705 N ASP A 47 -9.765 -10.296 -18.221 1.00 0.00 N ATOM 706 CA ASP A 47 -10.680 -9.365 -18.871 1.00 0.00 C ATOM 707 C ASP A 47 -12.064 -9.986 -19.034 1.00 0.00 C ATOM 708 O ASP A 47 -12.252 -10.913 -19.824 1.00 0.00 O ATOM 709 CB ASP A 47 -10.131 -8.949 -20.237 1.00 0.00 C ATOM 710 CG ASP A 47 -10.805 -7.702 -20.774 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.509 -6.987 -19.905 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.693 -7.385 -21.959 1.00 0.00 O ATOM 0 H ASP A 47 -9.080 -10.720 -18.846 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.770 -8.482 -18.239 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.058 -8.773 -20.156 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.268 -9.766 -20.945 1.00 0.00 H new ATOM 717 N THR A 48 -13.031 -9.469 -18.283 1.00 0.00 N ATOM 718 CA THR A 48 -14.397 -9.973 -18.343 1.00 0.00 C ATOM 719 C THR A 48 -15.242 -9.154 -19.312 1.00 0.00 C ATOM 720 O THR A 48 -16.325 -9.578 -19.718 1.00 0.00 O ATOM 721 CB THR A 48 -15.065 -9.954 -16.955 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.275 -10.719 -16.983 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.370 -8.528 -16.521 1.00 0.00 C ATOM 0 H THR A 48 -12.893 -8.701 -17.626 1.00 0.00 H new ATOM 0 HA THR A 48 -14.339 -11.003 -18.695 1.00 0.00 H new ATOM 0 HB THR A 48 -14.374 -10.395 -16.237 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.622 -10.749 -17.899 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.841 -8.540 -15.538 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.443 -7.956 -16.472 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.044 -8.065 -17.241 1.00 0.00 H new ATOM 731 N ASP A 49 -14.741 -7.980 -19.681 1.00 0.00 N ATOM 732 CA ASP A 49 -15.450 -7.102 -20.605 1.00 0.00 C ATOM 733 C ASP A 49 -14.808 -7.137 -21.988 1.00 0.00 C ATOM 734 O ASP A 49 -15.249 -6.446 -22.906 1.00 0.00 O ATOM 735 CB ASP A 49 -15.463 -5.669 -20.071 1.00 0.00 C ATOM 736 CG ASP A 49 -14.850 -5.560 -18.689 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.594 -5.708 -17.697 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.627 -5.326 -18.599 1.00 0.00 O ATOM 0 H ASP A 49 -13.847 -7.614 -19.354 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.476 -7.459 -20.692 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.918 -5.023 -20.759 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.490 -5.306 -20.039 1.00 0.00 H new ATOM 743 N GLY A 50 -13.763 -7.947 -22.130 1.00 0.00 N ATOM 744 CA GLY A 50 -13.077 -8.056 -23.404 1.00 0.00 C ATOM 745 C GLY A 50 -12.765 -6.703 -24.012 1.00 0.00 C ATOM 746 O GLY A 50 -12.796 -6.541 -25.232 1.00 0.00 O ATOM 0 H GLY A 50 -13.380 -8.529 -21.386 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.150 -8.612 -23.267 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.693 -8.629 -24.097 1.00 0.00 H new ATOM 750 N ASP A 51 -12.464 -5.729 -23.161 1.00 0.00 N ATOM 751 CA ASP A 51 -12.145 -4.382 -23.621 1.00 0.00 C ATOM 752 C ASP A 51 -10.647 -4.115 -23.522 1.00 0.00 C ATOM 753 O ASP A 51 -9.904 -4.897 -22.930 1.00 0.00 O ATOM 754 CB ASP A 51 -12.916 -3.345 -22.803 1.00 0.00 C ATOM 755 CG ASP A 51 -12.355 -3.177 -21.405 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.127 -4.203 -20.729 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.143 -2.020 -20.986 1.00 0.00 O ATOM 0 H ASP A 51 -12.434 -5.847 -22.148 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.442 -4.302 -24.667 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.889 -2.386 -23.320 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.963 -3.643 -22.738 1.00 0.00 H new ATOM 762 N GLY A 52 -10.209 -3.004 -24.107 1.00 0.00 N ATOM 763 CA GLY A 52 -8.801 -2.653 -24.075 1.00 0.00 C ATOM 764 C GLY A 52 -8.409 -1.948 -22.792 1.00 0.00 C ATOM 765 O GLY A 52 -7.716 -0.930 -22.822 1.00 0.00 O ATOM 0 H GLY A 52 -10.804 -2.341 -24.603 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.202 -3.557 -24.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.570 -2.010 -24.924 1.00 0.00 H new ATOM 769 N PHE A 53 -8.853 -2.487 -21.662 1.00 0.00 N ATOM 770 CA PHE A 53 -8.546 -1.901 -20.363 1.00 0.00 C ATOM 771 C PHE A 53 -8.861 -2.881 -19.236 1.00 0.00 C ATOM 772 O PHE A 53 -9.768 -3.706 -19.352 1.00 0.00 O ATOM 773 CB PHE A 53 -9.338 -0.606 -20.164 1.00 0.00 C ATOM 774 CG PHE A 53 -8.659 0.605 -20.736 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.469 1.067 -20.198 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.211 1.281 -21.812 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.842 2.182 -20.722 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.589 2.397 -22.341 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.402 2.847 -21.796 1.00 0.00 C ATOM 0 H PHE A 53 -9.427 -3.329 -21.620 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.480 -1.675 -20.337 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.319 -0.715 -20.626 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.503 -0.451 -19.098 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.026 0.550 -19.360 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.138 0.932 -22.243 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.915 2.533 -20.292 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.030 2.916 -23.179 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.913 3.717 -22.209 1.00 0.00 H new ATOM 789 N ILE A 54 -8.105 -2.784 -18.147 1.00 0.00 N ATOM 790 CA ILE A 54 -8.303 -3.660 -17.000 1.00 0.00 C ATOM 791 C ILE A 54 -8.178 -2.889 -15.691 1.00 0.00 C ATOM 792 O ILE A 54 -7.332 -2.005 -15.558 1.00 0.00 O ATOM 793 CB ILE A 54 -7.292 -4.821 -16.997 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.872 -4.289 -16.789 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.384 -5.607 -18.297 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.828 -5.379 -16.683 1.00 0.00 C ATOM 0 H ILE A 54 -7.350 -2.107 -18.036 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.311 -4.067 -17.084 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.533 -5.491 -16.172 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.615 -3.630 -17.618 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.848 -3.685 -15.882 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.663 -6.424 -18.280 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.390 -6.012 -18.407 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.165 -4.948 -19.137 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.846 -4.929 -16.537 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.061 -6.025 -15.837 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.824 -5.969 -17.599 1.00 0.00 H new ATOM 808 N ASP A 55 -9.025 -3.230 -14.726 1.00 0.00 N ATOM 809 CA ASP A 55 -9.008 -2.572 -13.425 1.00 0.00 C ATOM 810 C ASP A 55 -8.145 -3.347 -12.435 1.00 0.00 C ATOM 811 O ASP A 55 -7.644 -4.428 -12.746 1.00 0.00 O ATOM 812 CB ASP A 55 -10.431 -2.433 -12.881 1.00 0.00 C ATOM 813 CG ASP A 55 -11.455 -2.234 -13.981 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.733 -3.205 -14.715 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.977 -1.107 -14.109 1.00 0.00 O ATOM 0 H ASP A 55 -9.732 -3.959 -14.820 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.578 -1.579 -13.554 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.686 -3.324 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.473 -1.589 -12.193 1.00 0.00 H new ATOM 820 N PHE A 56 -7.974 -2.788 -11.241 1.00 0.00 N ATOM 821 CA PHE A 56 -7.169 -3.426 -10.206 1.00 0.00 C ATOM 822 C PHE A 56 -7.592 -4.878 -10.006 1.00 0.00 C ATOM 823 O PHE A 56 -6.753 -5.765 -9.853 1.00 0.00 O ATOM 824 CB PHE A 56 -7.296 -2.660 -8.888 1.00 0.00 C ATOM 825 CG PHE A 56 -6.104 -2.814 -7.987 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.823 -2.591 -8.467 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.263 -3.183 -6.661 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.724 -2.732 -7.642 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.168 -3.325 -5.831 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.896 -3.101 -6.322 1.00 0.00 C ATOM 0 H PHE A 56 -8.382 -1.894 -10.967 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.128 -3.411 -10.529 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.443 -1.602 -9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.186 -3.004 -8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.682 -2.304 -9.498 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.254 -3.362 -6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.731 -2.554 -8.029 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.306 -3.611 -4.799 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.038 -3.214 -5.675 1.00 0.00 H new ATOM 840 N ASN A 57 -8.901 -5.113 -10.009 1.00 0.00 N ATOM 841 CA ASN A 57 -9.436 -6.457 -9.827 1.00 0.00 C ATOM 842 C ASN A 57 -9.032 -7.365 -10.984 1.00 0.00 C ATOM 843 O ASN A 57 -8.707 -8.535 -10.784 1.00 0.00 O ATOM 844 CB ASN A 57 -10.961 -6.410 -9.710 1.00 0.00 C ATOM 845 CG ASN A 57 -11.459 -6.991 -8.401 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.350 -6.434 -7.760 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.884 -8.118 -7.998 1.00 0.00 N ATOM 0 H ASN A 57 -9.610 -4.390 -10.135 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.020 -6.865 -8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.298 -5.377 -9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.403 -6.960 -10.540 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.178 -8.556 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.149 -8.545 -8.561 1.00 0.00 H new ATOM 854 N GLU A 58 -9.054 -6.817 -12.195 1.00 0.00 N ATOM 855 CA GLU A 58 -8.689 -7.578 -13.384 1.00 0.00 C ATOM 856 C GLU A 58 -7.194 -7.883 -13.398 1.00 0.00 C ATOM 857 O GLU A 58 -6.786 -9.039 -13.505 1.00 0.00 O ATOM 858 CB GLU A 58 -9.076 -6.808 -14.649 1.00 0.00 C ATOM 859 CG GLU A 58 -10.564 -6.845 -14.953 1.00 0.00 C ATOM 860 CD GLU A 58 -10.898 -6.249 -16.307 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.172 -6.544 -17.279 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.884 -5.488 -16.394 1.00 0.00 O ATOM 0 H GLU A 58 -9.321 -5.850 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.234 -8.522 -13.361 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.761 -5.770 -14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.530 -7.221 -15.497 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.912 -7.877 -14.919 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.103 -6.301 -14.178 1.00 0.00 H new ATOM 869 N PHE A 59 -6.382 -6.836 -13.291 1.00 0.00 N ATOM 870 CA PHE A 59 -4.932 -6.991 -13.293 1.00 0.00 C ATOM 871 C PHE A 59 -4.485 -7.944 -12.189 1.00 0.00 C ATOM 872 O PHE A 59 -3.551 -8.726 -12.370 1.00 0.00 O ATOM 873 CB PHE A 59 -4.253 -5.631 -13.115 1.00 0.00 C ATOM 874 CG PHE A 59 -2.768 -5.668 -13.338 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.242 -6.215 -14.497 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.898 -5.157 -12.388 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.876 -6.251 -14.706 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.532 -5.190 -12.592 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.020 -5.738 -13.751 1.00 0.00 C ATOM 0 H PHE A 59 -6.703 -5.872 -13.202 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.638 -7.414 -14.254 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.699 -4.918 -13.809 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.452 -5.264 -12.108 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.907 -6.618 -15.246 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.292 -4.728 -11.478 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.479 -6.679 -15.614 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.135 -4.787 -11.845 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.048 -5.766 -13.911 1.00 0.00 H new ATOM 889 N ILE A 60 -5.158 -7.872 -11.045 1.00 0.00 N ATOM 890 CA ILE A 60 -4.831 -8.728 -9.912 1.00 0.00 C ATOM 891 C ILE A 60 -5.141 -10.189 -10.219 1.00 0.00 C ATOM 892 O ILE A 60 -4.319 -11.073 -9.978 1.00 0.00 O ATOM 893 CB ILE A 60 -5.601 -8.307 -8.647 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.947 -7.079 -8.010 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.660 -9.458 -7.654 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.656 -7.391 -7.284 1.00 0.00 C ATOM 0 H ILE A 60 -5.933 -7.230 -10.879 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.762 -8.616 -9.731 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.621 -8.046 -8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.749 -6.339 -8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.648 -6.626 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.208 -9.144 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.167 -10.308 -8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.648 -9.748 -7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.248 -6.475 -6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.851 -8.107 -6.486 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.938 -7.816 -7.985 1.00 0.00 H new ATOM 908 N SER A 61 -6.332 -10.436 -10.756 1.00 0.00 N ATOM 909 CA SER A 61 -6.752 -11.790 -11.095 1.00 0.00 C ATOM 910 C SER A 61 -5.658 -12.521 -11.868 1.00 0.00 C ATOM 911 O SER A 61 -5.556 -13.746 -11.813 1.00 0.00 O ATOM 912 CB SER A 61 -8.040 -11.756 -11.921 1.00 0.00 C ATOM 913 OG SER A 61 -8.333 -13.032 -12.462 1.00 0.00 O ATOM 0 H SER A 61 -7.023 -9.715 -10.965 1.00 0.00 H new ATOM 0 HA SER A 61 -6.939 -12.329 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.868 -11.424 -11.295 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.939 -11.030 -12.728 1.00 0.00 H new ATOM 0 HG SER A 61 -9.161 -12.984 -12.984 1.00 0.00 H new ATOM 919 N PHE A 62 -4.842 -11.759 -12.588 1.00 0.00 N ATOM 920 CA PHE A 62 -3.756 -12.332 -13.374 1.00 0.00 C ATOM 921 C PHE A 62 -2.688 -12.936 -12.467 1.00 0.00 C ATOM 922 O PHE A 62 -2.212 -14.047 -12.704 1.00 0.00 O ATOM 923 CB PHE A 62 -3.131 -11.265 -14.276 1.00 0.00 C ATOM 924 CG PHE A 62 -2.431 -11.831 -15.478 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.462 -12.811 -15.334 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.741 -11.383 -16.752 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.815 -13.332 -16.438 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.098 -11.901 -17.860 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.135 -12.878 -17.703 1.00 0.00 C ATOM 0 H PHE A 62 -4.912 -10.743 -12.643 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.171 -13.125 -13.996 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.911 -10.580 -14.609 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.420 -10.680 -13.693 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.210 -13.172 -14.348 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.494 -10.620 -16.881 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.060 -14.094 -16.312 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.348 -11.542 -18.847 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.633 -13.287 -18.567 1.00 0.00 H new ATOM 939 N CYS A 63 -2.316 -12.195 -11.428 1.00 0.00 N ATOM 940 CA CYS A 63 -1.303 -12.656 -10.485 1.00 0.00 C ATOM 941 C CYS A 63 -1.871 -13.723 -9.556 1.00 0.00 C ATOM 942 O CYS A 63 -1.233 -14.745 -9.306 1.00 0.00 O ATOM 943 CB CYS A 63 -0.768 -11.481 -9.666 1.00 0.00 C ATOM 944 SG CYS A 63 0.447 -11.949 -8.411 1.00 0.00 S ATOM 0 H CYS A 63 -2.700 -11.274 -11.218 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.484 -13.095 -11.054 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.315 -10.757 -10.343 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.605 -10.981 -9.178 1.00 0.00 H new ATOM 0 HG CYS A 63 1.179 -10.918 -8.110 1.00 0.00 H new ATOM 950 N ASN A 64 -3.073 -13.477 -9.045 1.00 0.00 N ATOM 951 CA ASN A 64 -3.726 -14.416 -8.141 1.00 0.00 C ATOM 952 C ASN A 64 -3.872 -15.788 -8.793 1.00 0.00 C ATOM 953 O ASN A 64 -3.973 -16.805 -8.108 1.00 0.00 O ATOM 954 CB ASN A 64 -5.101 -13.887 -7.728 1.00 0.00 C ATOM 955 CG ASN A 64 -5.100 -13.306 -6.327 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.634 -13.906 -5.394 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.498 -12.132 -6.174 1.00 0.00 N ATOM 0 H ASN A 64 -3.614 -12.635 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.102 -14.520 -7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.420 -13.122 -8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.830 -14.696 -7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.465 -11.692 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.068 -11.671 -6.976 1.00 0.00 H new ATOM 964 N ALA A 65 -3.881 -15.807 -10.122 1.00 0.00 N ATOM 965 CA ALA A 65 -4.012 -17.053 -10.867 1.00 0.00 C ATOM 966 C ALA A 65 -2.668 -17.764 -10.987 1.00 0.00 C ATOM 967 O ALA A 65 -2.612 -18.963 -11.257 1.00 0.00 O ATOM 968 CB ALA A 65 -4.593 -16.784 -12.247 1.00 0.00 C ATOM 0 H ALA A 65 -3.799 -14.974 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.692 -17.706 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.685 -17.723 -12.792 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.577 -16.326 -12.145 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.934 -16.110 -12.794 1.00 0.00 H new ATOM 974 N ASN A 66 -1.588 -17.017 -10.784 1.00 0.00 N ATOM 975 CA ASN A 66 -0.244 -17.577 -10.871 1.00 0.00 C ATOM 976 C ASN A 66 -0.083 -18.411 -12.138 1.00 0.00 C ATOM 977 O ASN A 66 0.286 -19.585 -12.095 1.00 0.00 O ATOM 978 CB ASN A 66 0.054 -18.436 -9.640 1.00 0.00 C ATOM 979 CG ASN A 66 0.433 -17.602 -8.431 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.613 -17.440 -8.120 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.570 -17.069 -7.742 1.00 0.00 N ATOM 0 H ASN A 66 -1.617 -16.023 -10.558 1.00 0.00 H new ATOM 0 HA ASN A 66 0.465 -16.750 -10.909 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.821 -19.040 -9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.865 -19.127 -9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.377 -16.499 -6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.533 -17.230 -8.036 1.00 0.00 H new ATOM 988 N PRO A 67 -0.366 -17.792 -13.294 1.00 0.00 N ATOM 989 CA PRO A 67 -0.258 -18.458 -14.595 1.00 0.00 C ATOM 990 C PRO A 67 1.189 -18.738 -14.986 1.00 0.00 C ATOM 991 O PRO A 67 1.471 -19.677 -15.728 1.00 0.00 O ATOM 992 CB PRO A 67 -0.888 -17.452 -15.562 1.00 0.00 C ATOM 993 CG PRO A 67 -0.717 -16.130 -14.896 1.00 0.00 C ATOM 994 CD PRO A 67 -0.811 -16.394 -13.419 1.00 0.00 C ATOM 0 HA PRO A 67 -0.745 -19.433 -14.595 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.394 -17.473 -16.533 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.941 -17.675 -15.735 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.245 -15.686 -15.152 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.488 -15.429 -15.217 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.175 -15.717 -12.848 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.828 -16.262 -13.051 1.00 0.00 H new ATOM 1002 N GLY A 68 2.103 -17.916 -14.479 1.00 0.00 N ATOM 1003 CA GLY A 68 3.511 -18.092 -14.787 1.00 0.00 C ATOM 1004 C GLY A 68 4.059 -16.978 -15.655 1.00 0.00 C ATOM 1005 O GLY A 68 5.188 -17.056 -16.140 1.00 0.00 O ATOM 0 H GLY A 68 1.894 -17.132 -13.861 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.080 -18.138 -13.858 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.652 -19.046 -15.294 1.00 0.00 H new ATOM 1009 N LEU A 69 3.257 -15.937 -15.855 1.00 0.00 N ATOM 1010 CA LEU A 69 3.668 -14.801 -16.673 1.00 0.00 C ATOM 1011 C LEU A 69 4.099 -13.628 -15.799 1.00 0.00 C ATOM 1012 O LEU A 69 5.235 -13.162 -15.885 1.00 0.00 O ATOM 1013 CB LEU A 69 2.525 -14.372 -17.595 1.00 0.00 C ATOM 1014 CG LEU A 69 2.031 -15.427 -18.587 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.168 -15.893 -19.481 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.413 -16.605 -17.848 1.00 0.00 C ATOM 0 H LEU A 69 2.319 -15.856 -15.462 1.00 0.00 H new ATOM 0 HA LEU A 69 4.520 -15.110 -17.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.683 -14.061 -16.977 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.848 -13.496 -18.158 1.00 0.00 H new ATOM 0 HG LEU A 69 1.264 -14.976 -19.216 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.797 -16.643 -20.180 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.565 -15.044 -20.037 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.958 -16.327 -18.868 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.067 -17.346 -18.569 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.159 -17.056 -17.194 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.570 -16.258 -17.251 1.00 0.00 H new ATOM 1028 N MET A 70 3.185 -13.156 -14.958 1.00 0.00 N ATOM 1029 CA MET A 70 3.472 -12.040 -14.065 1.00 0.00 C ATOM 1030 C MET A 70 4.675 -12.348 -13.178 1.00 0.00 C ATOM 1031 O MET A 70 5.350 -11.440 -12.693 1.00 0.00 O ATOM 1032 CB MET A 70 2.252 -11.724 -13.198 1.00 0.00 C ATOM 1033 CG MET A 70 1.019 -11.343 -14.001 1.00 0.00 C ATOM 1034 SD MET A 70 0.675 -9.574 -13.948 1.00 0.00 S ATOM 1035 CE MET A 70 1.601 -9.006 -15.372 1.00 0.00 C ATOM 0 H MET A 70 2.239 -13.529 -14.876 1.00 0.00 H new ATOM 0 HA MET A 70 3.708 -11.170 -14.678 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.020 -12.592 -12.581 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.500 -10.908 -12.519 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.155 -11.652 -15.037 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.157 -11.888 -13.617 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.444 -7.935 -15.505 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.662 -9.201 -15.217 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.261 -9.535 -16.262 1.00 0.00 H new ATOM 1045 N LYS A 71 4.936 -13.634 -12.970 1.00 0.00 N ATOM 1046 CA LYS A 71 6.057 -14.063 -12.143 1.00 0.00 C ATOM 1047 C LYS A 71 7.344 -13.360 -12.563 1.00 0.00 C ATOM 1048 O LYS A 71 8.096 -12.865 -11.723 1.00 0.00 O ATOM 1049 CB LYS A 71 6.237 -15.579 -12.238 1.00 0.00 C ATOM 1050 CG LYS A 71 5.006 -16.365 -11.821 1.00 0.00 C ATOM 1051 CD LYS A 71 4.953 -16.560 -10.315 1.00 0.00 C ATOM 1052 CE LYS A 71 4.111 -15.485 -9.643 1.00 0.00 C ATOM 1053 NZ LYS A 71 4.588 -15.188 -8.264 1.00 0.00 N ATOM 0 H LYS A 71 4.386 -14.398 -13.363 1.00 0.00 H new ATOM 0 HA LYS A 71 5.837 -13.794 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.496 -15.842 -13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.077 -15.877 -11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.109 -15.842 -12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.009 -17.337 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.539 -17.543 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.964 -16.539 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.140 -14.574 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.071 -15.809 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.989 -14.451 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.537 -16.051 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.572 -14.854 -8.301 1.00 0.00 H new ATOM 1067 N ASP A 72 7.591 -13.319 -13.868 1.00 0.00 N ATOM 1068 CA ASP A 72 8.786 -12.675 -14.400 1.00 0.00 C ATOM 1069 C ASP A 72 8.565 -11.175 -14.569 1.00 0.00 C ATOM 1070 O ASP A 72 9.508 -10.386 -14.498 1.00 0.00 O ATOM 1071 CB ASP A 72 9.175 -13.300 -15.741 1.00 0.00 C ATOM 1072 CG ASP A 72 9.675 -14.723 -15.593 1.00 0.00 C ATOM 1073 OD1 ASP A 72 10.878 -14.902 -15.307 1.00 0.00 O ATOM 1074 OD2 ASP A 72 8.865 -15.657 -15.762 1.00 0.00 O ATOM 0 H ASP A 72 6.979 -13.724 -14.577 1.00 0.00 H new ATOM 0 HA ASP A 72 9.598 -12.827 -13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.313 -13.288 -16.408 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.949 -12.693 -16.211 1.00 0.00 H new ATOM 1079 N VAL A 73 7.314 -10.788 -14.794 1.00 0.00 N ATOM 1080 CA VAL A 73 6.969 -9.383 -14.973 1.00 0.00 C ATOM 1081 C VAL A 73 7.172 -8.598 -13.681 1.00 0.00 C ATOM 1082 O VAL A 73 7.982 -7.673 -13.626 1.00 0.00 O ATOM 1083 CB VAL A 73 5.509 -9.218 -15.436 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.194 -7.753 -15.698 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.246 -10.058 -16.676 1.00 0.00 C ATOM 0 H VAL A 73 6.522 -11.428 -14.857 1.00 0.00 H new ATOM 0 HA VAL A 73 7.633 -8.990 -15.742 1.00 0.00 H new ATOM 0 HB VAL A 73 4.852 -9.569 -14.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.158 -7.656 -16.024 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.341 -7.180 -14.783 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.856 -7.372 -16.475 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.210 -9.930 -16.989 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.910 -9.739 -17.479 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.429 -11.108 -16.449 1.00 0.00 H new ATOM 1095 N ALA A 74 6.431 -8.974 -12.644 1.00 0.00 N ATOM 1096 CA ALA A 74 6.532 -8.307 -11.352 1.00 0.00 C ATOM 1097 C ALA A 74 7.973 -8.291 -10.853 1.00 0.00 C ATOM 1098 O ALA A 74 8.357 -7.431 -10.060 1.00 0.00 O ATOM 1099 CB ALA A 74 5.627 -8.988 -10.335 1.00 0.00 C ATOM 0 H ALA A 74 5.754 -9.737 -12.673 1.00 0.00 H new ATOM 0 HA ALA A 74 6.207 -7.274 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.712 -8.480 -9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.594 -8.942 -10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.926 -10.030 -10.222 1.00 0.00 H new ATOM 1105 N LYS A 75 8.767 -9.247 -11.323 1.00 0.00 N ATOM 1106 CA LYS A 75 10.167 -9.343 -10.926 1.00 0.00 C ATOM 1107 C LYS A 75 10.936 -8.092 -11.338 1.00 0.00 C ATOM 1108 O LYS A 75 11.888 -7.688 -10.670 1.00 0.00 O ATOM 1109 CB LYS A 75 10.812 -10.581 -11.552 1.00 0.00 C ATOM 1110 CG LYS A 75 11.792 -10.259 -12.666 1.00 0.00 C ATOM 1111 CD LYS A 75 12.205 -11.509 -13.425 1.00 0.00 C ATOM 1112 CE LYS A 75 12.798 -12.556 -12.494 1.00 0.00 C ATOM 1113 NZ LYS A 75 13.987 -13.221 -13.093 1.00 0.00 N ATOM 0 H LYS A 75 8.465 -9.967 -11.980 1.00 0.00 H new ATOM 0 HA LYS A 75 10.206 -9.431 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.330 -11.143 -10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.029 -11.229 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.339 -9.547 -13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.676 -9.778 -12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.339 -11.926 -13.939 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.935 -11.246 -14.191 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.081 -12.086 -11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.041 -13.305 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.362 -13.927 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.712 -13.691 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.719 -12.510 -13.291 1.00 0.00 H new ATOM 1127 N VAL A 76 10.518 -7.482 -12.443 1.00 0.00 N ATOM 1128 CA VAL A 76 11.166 -6.276 -12.943 1.00 0.00 C ATOM 1129 C VAL A 76 10.741 -5.051 -12.141 1.00 0.00 C ATOM 1130 O VAL A 76 11.384 -4.003 -12.201 1.00 0.00 O ATOM 1131 CB VAL A 76 10.842 -6.040 -14.430 1.00 0.00 C ATOM 1132 CG1 VAL A 76 11.824 -5.052 -15.040 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.854 -7.356 -15.193 1.00 0.00 C ATOM 0 H VAL A 76 9.733 -7.804 -13.009 1.00 0.00 H new ATOM 0 HA VAL A 76 12.240 -6.425 -12.832 1.00 0.00 H new ATOM 0 HB VAL A 76 9.842 -5.613 -14.503 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.579 -4.898 -16.091 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.761 -4.102 -14.510 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.836 -5.447 -14.957 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.623 -7.171 -16.242 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.840 -7.813 -15.114 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.107 -8.028 -14.771 1.00 0.00 H new ATOM 1143 N PHE A 77 9.654 -5.191 -11.389 1.00 0.00 N ATOM 1144 CA PHE A 77 9.142 -4.095 -10.574 1.00 0.00 C ATOM 1145 C PHE A 77 8.742 -4.590 -9.187 1.00 0.00 C ATOM 1146 O PHE A 77 8.039 -3.900 -8.450 1.00 0.00 O ATOM 1147 CB PHE A 77 7.942 -3.439 -11.260 1.00 0.00 C ATOM 1148 CG PHE A 77 8.115 -1.965 -11.490 1.00 0.00 C ATOM 1149 CD1 PHE A 77 9.256 -1.476 -12.107 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.138 -1.068 -11.090 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.418 -0.120 -12.321 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.294 0.288 -11.302 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.436 0.763 -11.917 1.00 0.00 C ATOM 0 H PHE A 77 9.111 -6.052 -11.327 1.00 0.00 H new ATOM 0 HA PHE A 77 9.936 -3.356 -10.462 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.768 -3.930 -12.217 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.052 -3.602 -10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.027 -2.162 -12.424 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.244 -1.433 -10.607 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.311 0.248 -12.803 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.524 0.976 -10.987 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.561 1.823 -12.082 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.425 -5.283 -18.825 1.00 0.00 MG