USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 699 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 THR OG1 : rot 18:sc= -0.63 USER MOD Set 1.2: A 31 MET CE :methyl 160:sc= -0.417 (180deg=-1.07) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.0778) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.0391 (180deg=-0.365) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.04 K(o=-1,f=-6.8!) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.592 (180deg=-0.647) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.195 K(o=-0.2,f=-1.7!) USER MOD Single : A 55 GLN : amide:sc=-0.00829 X(o=-0.0083,f=0) USER MOD Single : A 62 ASN : amide:sc=0.000459 X(o=0.00046,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -151:sc= 1.19 USER MOD Single : A 67 THR OG1 : rot 140:sc= -1.89! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.83) USER MOD Single : A 75 MET CE :methyl 153:sc= -5.73 (180deg=-7.92!) USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= 0.755 (180deg=0.604) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.614 -14.333 9.078 1.00 0.00 N ATOM 2 CA MET A 1 -1.541 -15.304 9.205 1.00 0.00 C ATOM 3 C MET A 1 -0.725 -15.393 7.914 1.00 0.00 C ATOM 4 O MET A 1 -0.412 -16.487 7.447 1.00 0.00 O ATOM 5 CB MET A 1 -2.131 -16.677 9.532 1.00 0.00 C ATOM 6 CG MET A 1 -1.390 -17.329 10.700 1.00 0.00 C ATOM 7 SD MET A 1 -1.971 -16.651 12.246 1.00 0.00 S ATOM 8 CE MET A 1 -0.522 -16.900 13.258 1.00 0.00 C ATOM 0 H1 MET A 1 -3.242 -14.400 9.904 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.211 -13.376 9.026 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.158 -14.528 8.213 1.00 0.00 H new ATOM 0 HA MET A 1 -0.879 -14.982 10.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.187 -16.573 9.780 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.071 -17.321 8.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.547 -18.408 10.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.318 -17.162 10.600 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.713 -16.529 14.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.287 -17.963 13.301 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.320 -16.360 12.826 1.00 0.00 H new ATOM 18 N MET A 2 -0.405 -14.226 7.373 1.00 0.00 N ATOM 19 CA MET A 2 0.368 -14.158 6.145 1.00 0.00 C ATOM 20 C MET A 2 -0.305 -14.959 5.028 1.00 0.00 C ATOM 21 O MET A 2 0.036 -16.118 4.798 1.00 0.00 O ATOM 22 CB MET A 2 1.773 -14.711 6.394 1.00 0.00 C ATOM 23 CG MET A 2 2.842 -13.683 6.018 1.00 0.00 C ATOM 24 SD MET A 2 4.426 -14.486 5.841 1.00 0.00 S ATOM 25 CE MET A 2 5.147 -14.103 7.428 1.00 0.00 C ATOM 0 H MET A 2 -0.667 -13.321 7.763 1.00 0.00 H new ATOM 0 HA MET A 2 0.428 -13.115 5.834 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.879 -14.984 7.444 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.918 -15.621 5.812 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.570 -13.188 5.086 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.900 -12.910 6.784 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.147 -14.533 7.487 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.210 -13.021 7.548 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.525 -14.520 8.220 1.00 0.00 H new ATOM 35 N VAL A 3 -1.249 -14.308 4.364 1.00 0.00 N ATOM 36 CA VAL A 3 -1.973 -14.945 3.277 1.00 0.00 C ATOM 37 C VAL A 3 -1.871 -14.075 2.023 1.00 0.00 C ATOM 38 O VAL A 3 -1.550 -12.890 2.110 1.00 0.00 O ATOM 39 CB VAL A 3 -3.418 -15.217 3.700 1.00 0.00 C ATOM 40 CG1 VAL A 3 -4.166 -16.003 2.621 1.00 0.00 C ATOM 41 CG2 VAL A 3 -3.468 -15.947 5.043 1.00 0.00 C ATOM 0 H VAL A 3 -1.529 -13.347 4.558 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.530 -15.912 3.038 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.918 -14.256 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.191 -16.183 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.175 -15.430 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.666 -16.957 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.506 -16.128 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.944 -16.899 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.990 -15.335 5.808 1.00 0.00 H new ATOM 51 N PHE A 4 -2.150 -14.695 0.886 1.00 0.00 N ATOM 52 CA PHE A 4 -2.094 -13.992 -0.384 1.00 0.00 C ATOM 53 C PHE A 4 -2.308 -14.954 -1.554 1.00 0.00 C ATOM 54 O PHE A 4 -1.584 -15.939 -1.692 1.00 0.00 O ATOM 55 CB PHE A 4 -0.697 -13.377 -0.493 1.00 0.00 C ATOM 56 CG PHE A 4 -0.191 -13.235 -1.930 1.00 0.00 C ATOM 57 CD1 PHE A 4 -0.615 -12.198 -2.701 1.00 0.00 C ATOM 58 CD2 PHE A 4 0.684 -14.145 -2.436 1.00 0.00 C ATOM 59 CE1 PHE A 4 -0.144 -12.066 -4.034 1.00 0.00 C ATOM 60 CE2 PHE A 4 1.154 -14.013 -3.770 1.00 0.00 C ATOM 61 CZ PHE A 4 0.730 -12.976 -4.540 1.00 0.00 C ATOM 0 H PHE A 4 -2.416 -15.677 0.818 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.877 -13.234 -0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.706 -12.394 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.005 -13.993 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.310 -11.475 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.022 -14.968 -1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.480 -11.242 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.848 -14.736 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.088 -12.875 -5.554 1.00 0.00 H new ATOM 71 N ASP A 5 -3.305 -14.636 -2.366 1.00 0.00 N ATOM 72 CA ASP A 5 -3.623 -15.460 -3.520 1.00 0.00 C ATOM 73 C ASP A 5 -4.094 -14.564 -4.667 1.00 0.00 C ATOM 74 O ASP A 5 -4.095 -13.341 -4.544 1.00 0.00 O ATOM 75 CB ASP A 5 -4.747 -16.447 -3.198 1.00 0.00 C ATOM 76 CG ASP A 5 -4.631 -17.139 -1.838 1.00 0.00 C ATOM 77 OD1 ASP A 5 -3.902 -18.130 -1.686 1.00 0.00 O ATOM 78 OD2 ASP A 5 -5.339 -16.613 -0.897 1.00 0.00 O ATOM 0 H ASP A 5 -3.904 -13.819 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.726 -16.013 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.698 -15.917 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.774 -17.210 -3.976 1.00 0.00 H new ATOM 84 N ASP A 6 -4.484 -15.209 -5.757 1.00 0.00 N ATOM 85 CA ASP A 6 -4.956 -14.486 -6.925 1.00 0.00 C ATOM 86 C ASP A 6 -5.984 -13.439 -6.491 1.00 0.00 C ATOM 87 O ASP A 6 -6.179 -12.434 -7.173 1.00 0.00 O ATOM 88 CB ASP A 6 -5.635 -15.430 -7.920 1.00 0.00 C ATOM 89 CG ASP A 6 -6.617 -14.758 -8.882 1.00 0.00 C ATOM 90 OD1 ASP A 6 -6.304 -13.730 -9.500 1.00 0.00 O ATOM 91 OD2 ASP A 6 -7.763 -15.342 -8.986 1.00 0.00 O ATOM 0 H ASP A 6 -4.483 -16.224 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.095 -14.017 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.865 -15.933 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.166 -16.201 -7.362 1.00 0.00 H new ATOM 97 N ILE A 7 -6.615 -13.711 -5.357 1.00 0.00 N ATOM 98 CA ILE A 7 -7.618 -12.805 -4.824 1.00 0.00 C ATOM 99 C ILE A 7 -6.936 -11.525 -4.338 1.00 0.00 C ATOM 100 O ILE A 7 -7.299 -10.426 -4.755 1.00 0.00 O ATOM 101 CB ILE A 7 -8.453 -13.503 -3.749 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.247 -14.668 -4.342 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.356 -12.505 -3.021 1.00 0.00 C ATOM 104 CD1 ILE A 7 -10.101 -15.352 -3.272 1.00 0.00 C ATOM 0 H ILE A 7 -6.451 -14.545 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.322 -12.515 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.773 -13.922 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.887 -14.304 -5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.562 -15.392 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.938 -13.028 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.743 -11.740 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.031 -12.036 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.655 -16.176 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.456 -15.736 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.802 -14.631 -2.850 1.00 0.00 H new ATOM 116 N ALA A 8 -5.959 -11.709 -3.462 1.00 0.00 N ATOM 117 CA ALA A 8 -5.222 -10.582 -2.914 1.00 0.00 C ATOM 118 C ALA A 8 -4.905 -9.592 -4.037 1.00 0.00 C ATOM 119 O ALA A 8 -4.859 -8.384 -3.809 1.00 0.00 O ATOM 120 CB ALA A 8 -3.962 -11.090 -2.211 1.00 0.00 C ATOM 0 H ALA A 8 -5.660 -12.622 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.820 -10.056 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.409 -10.245 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.243 -11.767 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.335 -11.620 -2.927 1.00 0.00 H new ATOM 126 N LYS A 9 -4.695 -10.140 -5.224 1.00 0.00 N ATOM 127 CA LYS A 9 -4.383 -9.320 -6.382 1.00 0.00 C ATOM 128 C LYS A 9 -5.502 -8.298 -6.594 1.00 0.00 C ATOM 129 O LYS A 9 -5.266 -7.092 -6.531 1.00 0.00 O ATOM 130 CB LYS A 9 -4.115 -10.199 -7.605 1.00 0.00 C ATOM 131 CG LYS A 9 -2.785 -9.829 -8.266 1.00 0.00 C ATOM 132 CD LYS A 9 -1.602 -10.257 -7.395 1.00 0.00 C ATOM 133 CE LYS A 9 -1.348 -11.761 -7.517 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.815 -12.089 -8.858 1.00 0.00 N ATOM 0 H LYS A 9 -4.735 -11.142 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.464 -8.758 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.098 -11.247 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.926 -10.085 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.714 -10.308 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.746 -8.753 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.709 -9.708 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.801 -10.001 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.642 -12.080 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.275 -12.308 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.338 -13.013 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.597 -12.127 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.135 -11.358 -9.149 1.00 0.00 H new ATOM 147 N ARG A 10 -6.696 -8.817 -6.840 1.00 0.00 N ATOM 148 CA ARG A 10 -7.852 -7.964 -7.061 1.00 0.00 C ATOM 149 C ARG A 10 -8.193 -7.193 -5.784 1.00 0.00 C ATOM 150 O ARG A 10 -8.733 -6.089 -5.848 1.00 0.00 O ATOM 151 CB ARG A 10 -9.068 -8.786 -7.493 1.00 0.00 C ATOM 152 CG ARG A 10 -9.590 -8.318 -8.852 1.00 0.00 C ATOM 153 CD ARG A 10 -11.120 -8.311 -8.878 1.00 0.00 C ATOM 154 NE ARG A 10 -11.602 -8.110 -10.263 1.00 0.00 N ATOM 155 CZ ARG A 10 -12.868 -8.350 -10.667 1.00 0.00 C ATOM 156 NH1 ARG A 10 -13.791 -8.802 -9.793 1.00 0.00 N ATOM 157 NH2 ARG A 10 -13.188 -8.135 -11.929 1.00 0.00 N ATOM 0 H ARG A 10 -6.888 -9.817 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.601 -7.263 -7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.798 -9.841 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.856 -8.696 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.214 -7.317 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.212 -8.974 -9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.503 -9.252 -8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.499 -7.518 -8.234 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.936 -7.769 -10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.535 -8.965 -8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.745 -8.981 -10.106 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.484 -7.793 -12.583 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.140 -8.311 -12.251 1.00 0.00 H new ATOM 170 N LYS A 11 -7.866 -7.804 -4.656 1.00 0.00 N ATOM 171 CA LYS A 11 -8.131 -7.188 -3.367 1.00 0.00 C ATOM 172 C LYS A 11 -7.363 -5.869 -3.269 1.00 0.00 C ATOM 173 O LYS A 11 -7.954 -4.819 -3.020 1.00 0.00 O ATOM 174 CB LYS A 11 -7.821 -8.166 -2.232 1.00 0.00 C ATOM 175 CG LYS A 11 -8.819 -8.007 -1.083 1.00 0.00 C ATOM 176 CD LYS A 11 -8.174 -8.365 0.258 1.00 0.00 C ATOM 177 CE LYS A 11 -9.235 -8.743 1.293 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.870 -7.529 1.852 1.00 0.00 N ATOM 0 H LYS A 11 -7.420 -8.720 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.190 -6.948 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.855 -9.188 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.809 -7.994 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.183 -6.980 -1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.684 -8.647 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.481 -9.195 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.591 -7.519 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.992 -9.377 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.779 -9.324 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.588 -7.804 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.147 -6.939 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.323 -6.990 1.086 1.00 0.00 H new ATOM 191 N ILE A 12 -6.057 -5.965 -3.469 1.00 0.00 N ATOM 192 CA ILE A 12 -5.202 -4.792 -3.406 1.00 0.00 C ATOM 193 C ILE A 12 -5.913 -3.612 -4.070 1.00 0.00 C ATOM 194 O ILE A 12 -5.995 -2.528 -3.494 1.00 0.00 O ATOM 195 CB ILE A 12 -3.827 -5.098 -4.005 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.708 -4.546 -3.120 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.729 -4.583 -5.443 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.360 -3.108 -3.510 1.00 0.00 C ATOM 0 H ILE A 12 -5.570 -6.837 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.017 -4.511 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.703 -6.180 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.016 -4.579 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.823 -5.176 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.742 -4.813 -5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.492 -5.065 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.883 -3.504 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.562 -2.739 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.029 -3.083 -4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.241 -2.476 -3.394 1.00 0.00 H new ATOM 210 N ARG A 13 -6.409 -3.862 -5.273 1.00 0.00 N ATOM 211 CA ARG A 13 -7.111 -2.833 -6.022 1.00 0.00 C ATOM 212 C ARG A 13 -8.510 -2.616 -5.442 1.00 0.00 C ATOM 213 O ARG A 13 -8.857 -1.504 -5.048 1.00 0.00 O ATOM 214 CB ARG A 13 -7.231 -3.212 -7.499 1.00 0.00 C ATOM 215 CG ARG A 13 -6.349 -2.314 -8.369 1.00 0.00 C ATOM 216 CD ARG A 13 -6.352 -2.787 -9.824 1.00 0.00 C ATOM 217 NE ARG A 13 -6.815 -1.696 -10.710 1.00 0.00 N ATOM 218 CZ ARG A 13 -6.830 -1.770 -12.058 1.00 0.00 C ATOM 219 NH1 ARG A 13 -6.406 -2.887 -12.687 1.00 0.00 N ATOM 220 NH2 ARG A 13 -7.264 -0.734 -12.751 1.00 0.00 N ATOM 0 H ARG A 13 -6.339 -4.762 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.534 -1.912 -5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.942 -4.254 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.270 -3.125 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.707 -1.286 -8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.329 -2.317 -7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.350 -3.102 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.003 -3.655 -9.932 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.143 -0.834 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.071 -3.683 -12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.420 -2.935 -13.706 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.582 0.106 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.282 -0.773 -13.770 1.00 0.00 H new ATOM 233 N PHE A 14 -9.276 -3.697 -5.409 1.00 0.00 N ATOM 234 CA PHE A 14 -10.630 -3.639 -4.884 1.00 0.00 C ATOM 235 C PHE A 14 -10.690 -2.787 -3.615 1.00 0.00 C ATOM 236 O PHE A 14 -11.729 -2.209 -3.299 1.00 0.00 O ATOM 237 CB PHE A 14 -11.039 -5.072 -4.542 1.00 0.00 C ATOM 238 CG PHE A 14 -12.502 -5.218 -4.119 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.886 -4.857 -2.865 1.00 0.00 C ATOM 240 CD2 PHE A 14 -13.418 -5.708 -4.996 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.244 -4.992 -2.472 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.776 -5.843 -4.603 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.161 -5.482 -3.350 1.00 0.00 C ATOM 0 H PHE A 14 -8.985 -4.618 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.296 -3.191 -5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.857 -5.707 -5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.401 -5.439 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.158 -4.468 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.113 -5.995 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.549 -4.706 -1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.503 -6.233 -5.300 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.194 -5.584 -3.052 1.00 0.00 H new ATOM 253 N GLN A 15 -9.562 -2.736 -2.921 1.00 0.00 N ATOM 254 CA GLN A 15 -9.474 -1.965 -1.693 1.00 0.00 C ATOM 255 C GLN A 15 -9.238 -0.487 -2.010 1.00 0.00 C ATOM 256 O GLN A 15 -9.905 0.385 -1.454 1.00 0.00 O ATOM 257 CB GLN A 15 -8.374 -2.512 -0.780 1.00 0.00 C ATOM 258 CG GLN A 15 -8.973 -3.266 0.409 1.00 0.00 C ATOM 259 CD GLN A 15 -8.759 -2.494 1.712 1.00 0.00 C ATOM 260 OE1 GLN A 15 -8.018 -2.903 2.592 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.446 -1.358 1.787 1.00 0.00 N ATOM 0 H GLN A 15 -8.702 -3.216 -3.186 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.421 -2.056 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.723 -3.178 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.754 -1.691 -0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.039 -3.422 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.515 -4.252 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.048 -1.074 1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.371 -0.770 2.617 1.00 0.00 H new ATOM 270 N THR A 16 -8.288 -0.250 -2.903 1.00 0.00 N ATOM 271 CA THR A 16 -7.956 1.107 -3.300 1.00 0.00 C ATOM 272 C THR A 16 -9.159 1.776 -3.969 1.00 0.00 C ATOM 273 O THR A 16 -10.280 1.277 -3.882 1.00 0.00 O ATOM 274 CB THR A 16 -6.718 1.048 -4.197 1.00 0.00 C ATOM 275 OG1 THR A 16 -7.035 0.050 -5.162 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.495 0.487 -3.468 1.00 0.00 C ATOM 0 H THR A 16 -7.738 -0.976 -3.363 1.00 0.00 H new ATOM 0 HA THR A 16 -7.719 1.725 -2.434 1.00 0.00 H new ATOM 0 HB THR A 16 -6.492 2.047 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.003 -0.099 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.644 0.466 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.260 1.119 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.709 -0.525 -3.124 1.00 0.00 H new ATOM 284 N ARG A 17 -8.885 2.895 -4.623 1.00 0.00 N ATOM 285 CA ARG A 17 -9.931 3.637 -5.307 1.00 0.00 C ATOM 286 C ARG A 17 -10.957 4.159 -4.299 1.00 0.00 C ATOM 287 O ARG A 17 -11.469 3.398 -3.479 1.00 0.00 O ATOM 288 CB ARG A 17 -10.641 2.762 -6.342 1.00 0.00 C ATOM 289 CG ARG A 17 -11.754 3.540 -7.047 1.00 0.00 C ATOM 290 CD ARG A 17 -13.123 2.921 -6.758 1.00 0.00 C ATOM 291 NE ARG A 17 -14.193 3.904 -7.041 1.00 0.00 N ATOM 292 CZ ARG A 17 -15.501 3.696 -6.780 1.00 0.00 C ATOM 293 NH1 ARG A 17 -15.913 2.535 -6.228 1.00 0.00 N ATOM 294 NH2 ARG A 17 -16.371 4.644 -7.074 1.00 0.00 N ATOM 0 H ARG A 17 -7.954 3.306 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.461 4.476 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.920 2.405 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.060 1.882 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.743 4.578 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.573 3.547 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.265 2.030 -7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.175 2.604 -5.716 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.925 4.795 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.234 1.807 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.903 2.386 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.051 5.518 -7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.363 4.503 -6.883 1.00 0.00 H new ATOM 307 N ARG A 18 -11.229 5.452 -4.395 1.00 0.00 N ATOM 308 CA ARG A 18 -12.185 6.084 -3.502 1.00 0.00 C ATOM 309 C ARG A 18 -12.564 7.471 -4.025 1.00 0.00 C ATOM 310 O ARG A 18 -12.562 7.704 -5.233 1.00 0.00 O ATOM 311 CB ARG A 18 -11.613 6.219 -2.089 1.00 0.00 C ATOM 312 CG ARG A 18 -12.693 5.968 -1.034 1.00 0.00 C ATOM 313 CD ARG A 18 -12.214 4.958 0.011 1.00 0.00 C ATOM 314 NE ARG A 18 -13.360 4.168 0.514 1.00 0.00 N ATOM 315 CZ ARG A 18 -13.240 3.067 1.285 1.00 0.00 C ATOM 316 NH1 ARG A 18 -12.021 2.615 1.650 1.00 0.00 N ATOM 317 NH2 ARG A 18 -14.332 2.438 1.678 1.00 0.00 N ATOM 0 H ARG A 18 -10.804 6.079 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.072 5.451 -3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.796 5.510 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.194 7.217 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.954 6.907 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.598 5.597 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.469 4.294 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.730 5.479 0.837 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.300 4.475 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.182 3.107 1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.939 1.782 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.249 2.786 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.258 1.604 2.261 1.00 0.00 H new ATOM 330 N GLY A 19 -12.882 8.355 -3.091 1.00 0.00 N ATOM 331 CA GLY A 19 -13.263 9.712 -3.443 1.00 0.00 C ATOM 332 C GLY A 19 -12.035 10.620 -3.533 1.00 0.00 C ATOM 333 O GLY A 19 -12.089 11.784 -3.139 1.00 0.00 O ATOM 0 H GLY A 19 -12.884 8.158 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.789 9.710 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.956 10.104 -2.698 1.00 0.00 H new ATOM 337 N LEU A 20 -10.956 10.054 -4.054 1.00 0.00 N ATOM 338 CA LEU A 20 -9.717 10.798 -4.201 1.00 0.00 C ATOM 339 C LEU A 20 -9.095 10.481 -5.562 1.00 0.00 C ATOM 340 O LEU A 20 -8.571 9.388 -5.770 1.00 0.00 O ATOM 341 CB LEU A 20 -8.784 10.523 -3.020 1.00 0.00 C ATOM 342 CG LEU A 20 -8.966 11.426 -1.798 1.00 0.00 C ATOM 343 CD1 LEU A 20 -10.224 11.044 -1.016 1.00 0.00 C ATOM 344 CD2 LEU A 20 -7.716 11.412 -0.915 1.00 0.00 C ATOM 0 H LEU A 20 -10.915 9.088 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.912 11.870 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.922 9.488 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.755 10.616 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.103 12.449 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.329 11.701 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.098 11.147 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.142 10.011 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.872 12.062 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.524 10.395 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.861 11.769 -1.489 1.00 0.00 H new ATOM 356 N LEU A 21 -9.174 11.457 -6.455 1.00 0.00 N ATOM 357 CA LEU A 21 -8.625 11.296 -7.791 1.00 0.00 C ATOM 358 C LEU A 21 -7.114 11.078 -7.694 1.00 0.00 C ATOM 359 O LEU A 21 -6.610 10.022 -8.072 1.00 0.00 O ATOM 360 CB LEU A 21 -9.021 12.478 -8.678 1.00 0.00 C ATOM 361 CG LEU A 21 -8.475 12.456 -10.107 1.00 0.00 C ATOM 362 CD1 LEU A 21 -9.166 11.375 -10.941 1.00 0.00 C ATOM 363 CD2 LEU A 21 -8.582 13.837 -10.757 1.00 0.00 C ATOM 0 H LEU A 21 -9.610 12.362 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.044 10.412 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.109 12.522 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.686 13.397 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.416 12.202 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.760 11.381 -11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.994 10.399 -10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.237 11.574 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.187 13.793 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.627 14.145 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.008 14.558 -10.175 1.00 0.00 H new ATOM 375 N GLU A 22 -6.433 12.095 -7.184 1.00 0.00 N ATOM 376 CA GLU A 22 -4.990 12.028 -7.033 1.00 0.00 C ATOM 377 C GLU A 22 -4.583 10.690 -6.411 1.00 0.00 C ATOM 378 O GLU A 22 -3.684 10.016 -6.912 1.00 0.00 O ATOM 379 CB GLU A 22 -4.471 13.200 -6.199 1.00 0.00 C ATOM 380 CG GLU A 22 -2.942 13.250 -6.214 1.00 0.00 C ATOM 381 CD GLU A 22 -2.371 12.994 -4.817 1.00 0.00 C ATOM 382 OE1 GLU A 22 -3.091 12.505 -3.934 1.00 0.00 O ATOM 383 OE2 GLU A 22 -1.133 13.323 -4.666 1.00 0.00 O ATOM 0 H GLU A 22 -6.855 12.969 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.537 12.100 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.873 14.135 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.825 13.105 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.557 12.505 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.610 14.224 -6.574 1.00 0.00 H new ATOM 391 N LEU A 23 -5.265 10.346 -5.328 1.00 0.00 N ATOM 392 CA LEU A 23 -4.985 9.101 -4.633 1.00 0.00 C ATOM 393 C LEU A 23 -5.246 7.925 -5.577 1.00 0.00 C ATOM 394 O LEU A 23 -4.613 6.877 -5.457 1.00 0.00 O ATOM 395 CB LEU A 23 -5.778 9.028 -3.326 1.00 0.00 C ATOM 396 CG LEU A 23 -5.193 8.126 -2.237 1.00 0.00 C ATOM 397 CD1 LEU A 23 -3.672 8.273 -2.161 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.863 8.391 -0.887 1.00 0.00 C ATOM 0 H LEU A 23 -6.010 10.907 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.935 9.053 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.871 10.037 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.786 8.682 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.403 7.090 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.282 7.621 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.231 7.995 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.417 9.308 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.429 7.737 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.706 9.431 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.932 8.194 -0.967 1.00 0.00 H new ATOM 410 N ASP A 24 -6.178 8.139 -6.493 1.00 0.00 N ATOM 411 CA ASP A 24 -6.530 7.110 -7.457 1.00 0.00 C ATOM 412 C ASP A 24 -5.406 6.975 -8.486 1.00 0.00 C ATOM 413 O ASP A 24 -5.156 5.884 -8.998 1.00 0.00 O ATOM 414 CB ASP A 24 -7.815 7.472 -8.205 1.00 0.00 C ATOM 415 CG ASP A 24 -8.493 6.306 -8.926 1.00 0.00 C ATOM 416 OD1 ASP A 24 -9.200 5.496 -8.308 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.269 6.245 -10.195 1.00 0.00 O ATOM 0 H ASP A 24 -6.701 9.010 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.680 6.177 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.522 7.901 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.586 8.248 -8.936 1.00 0.00 H new ATOM 423 N LEU A 25 -4.758 8.098 -8.758 1.00 0.00 N ATOM 424 CA LEU A 25 -3.666 8.118 -9.717 1.00 0.00 C ATOM 425 C LEU A 25 -2.426 7.483 -9.085 1.00 0.00 C ATOM 426 O LEU A 25 -1.785 6.627 -9.692 1.00 0.00 O ATOM 427 CB LEU A 25 -3.433 9.540 -10.233 1.00 0.00 C ATOM 428 CG LEU A 25 -4.684 10.404 -10.405 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.367 11.677 -11.192 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.820 9.603 -11.044 1.00 0.00 C ATOM 0 H LEU A 25 -4.968 9.000 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.918 7.522 -10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.756 10.048 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.924 9.477 -11.195 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.024 10.713 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.273 12.273 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.613 12.256 -10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.989 11.410 -12.179 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.697 10.241 -11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.506 9.244 -12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.068 8.753 -10.409 1.00 0.00 H new ATOM 442 N ILE A 26 -2.125 7.927 -7.873 1.00 0.00 N ATOM 443 CA ILE A 26 -0.974 7.412 -7.152 1.00 0.00 C ATOM 444 C ILE A 26 -0.939 5.887 -7.276 1.00 0.00 C ATOM 445 O ILE A 26 0.005 5.327 -7.831 1.00 0.00 O ATOM 446 CB ILE A 26 -0.980 7.911 -5.706 1.00 0.00 C ATOM 447 CG1 ILE A 26 -0.946 9.440 -5.653 1.00 0.00 C ATOM 448 CG2 ILE A 26 0.163 7.285 -4.904 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.700 9.964 -4.429 1.00 0.00 C ATOM 0 H ILE A 26 -2.659 8.638 -7.373 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.050 7.789 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.912 7.593 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.088 9.783 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.390 9.849 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.135 7.657 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.053 6.201 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.116 7.551 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.660 11.053 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.740 9.639 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.238 9.573 -3.522 1.00 0.00 H new ATOM 461 N PHE A 27 -1.980 5.259 -6.749 1.00 0.00 N ATOM 462 CA PHE A 27 -2.081 3.810 -6.794 1.00 0.00 C ATOM 463 C PHE A 27 -1.652 3.273 -8.161 1.00 0.00 C ATOM 464 O PHE A 27 -0.939 2.274 -8.243 1.00 0.00 O ATOM 465 CB PHE A 27 -3.551 3.457 -6.559 1.00 0.00 C ATOM 466 CG PHE A 27 -4.037 3.732 -5.134 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.331 3.260 -4.072 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.174 4.449 -4.931 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.782 3.515 -2.750 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.625 4.705 -3.609 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.920 4.233 -2.546 1.00 0.00 C ATOM 0 H PHE A 27 -2.761 5.727 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.431 3.368 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.166 4.024 -7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.701 2.402 -6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.427 2.691 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.734 4.824 -5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.222 3.139 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.528 5.275 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.263 4.428 -1.541 1.00 0.00 H new ATOM 481 N GLY A 28 -2.105 3.959 -9.200 1.00 0.00 N ATOM 482 CA GLY A 28 -1.777 3.563 -10.559 1.00 0.00 C ATOM 483 C GLY A 28 -0.308 3.151 -10.671 1.00 0.00 C ATOM 484 O GLY A 28 -0.004 2.008 -11.007 1.00 0.00 O ATOM 0 H GLY A 28 -2.697 4.787 -9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.415 2.734 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.980 4.389 -11.241 1.00 0.00 H new ATOM 488 N ARG A 29 0.564 4.106 -10.381 1.00 0.00 N ATOM 489 CA ARG A 29 1.995 3.857 -10.445 1.00 0.00 C ATOM 490 C ARG A 29 2.490 3.266 -9.123 1.00 0.00 C ATOM 491 O ARG A 29 3.212 2.270 -9.116 1.00 0.00 O ATOM 492 CB ARG A 29 2.765 5.145 -10.741 1.00 0.00 C ATOM 493 CG ARG A 29 2.979 5.323 -12.245 1.00 0.00 C ATOM 494 CD ARG A 29 4.461 5.528 -12.568 1.00 0.00 C ATOM 495 NE ARG A 29 4.811 4.812 -13.815 1.00 0.00 N ATOM 496 CZ ARG A 29 4.704 5.346 -15.050 1.00 0.00 C ATOM 497 NH1 ARG A 29 4.255 6.609 -15.214 1.00 0.00 N ATOM 498 NH2 ARG A 29 5.046 4.616 -16.095 1.00 0.00 N ATOM 0 H ARG A 29 0.308 5.053 -10.101 1.00 0.00 H new ATOM 0 HA ARG A 29 2.173 3.148 -11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.217 6.000 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.729 5.121 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.605 4.447 -12.775 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.404 6.179 -12.599 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.674 6.591 -12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.075 5.163 -11.745 1.00 0.00 H new ATOM 0 HE ARG A 29 5.155 3.855 -13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.994 7.167 -14.401 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.177 7.005 -16.151 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.385 3.663 -15.963 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.971 5.005 -17.035 1.00 0.00 H new ATOM 511 N PHE A 30 2.083 3.906 -8.037 1.00 0.00 N ATOM 512 CA PHE A 30 2.476 3.456 -6.712 1.00 0.00 C ATOM 513 C PHE A 30 2.510 1.928 -6.639 1.00 0.00 C ATOM 514 O PHE A 30 3.549 1.340 -6.344 1.00 0.00 O ATOM 515 CB PHE A 30 1.424 3.979 -5.732 1.00 0.00 C ATOM 516 CG PHE A 30 1.353 3.195 -4.419 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.454 2.546 -3.954 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.189 3.148 -3.718 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.388 1.819 -2.737 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.123 2.420 -2.500 1.00 0.00 C ATOM 521 CZ PHE A 30 1.224 1.771 -2.035 1.00 0.00 C ATOM 0 H PHE A 30 1.485 4.732 -8.047 1.00 0.00 H new ATOM 0 HA PHE A 30 3.473 3.826 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.638 5.024 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.447 3.950 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.379 2.584 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.685 3.664 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.262 1.304 -2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.802 2.382 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.174 1.218 -1.109 1.00 0.00 H new ATOM 531 N MET A 31 1.360 1.329 -6.913 1.00 0.00 N ATOM 532 CA MET A 31 1.245 -0.119 -6.882 1.00 0.00 C ATOM 533 C MET A 31 2.135 -0.762 -7.947 1.00 0.00 C ATOM 534 O MET A 31 3.005 -1.571 -7.628 1.00 0.00 O ATOM 535 CB MET A 31 -0.211 -0.521 -7.122 1.00 0.00 C ATOM 536 CG MET A 31 -0.805 -1.197 -5.885 1.00 0.00 C ATOM 537 SD MET A 31 -2.346 -0.413 -5.440 1.00 0.00 S ATOM 538 CE MET A 31 -3.367 -0.939 -6.807 1.00 0.00 C ATOM 0 H MET A 31 0.500 1.820 -7.157 1.00 0.00 H new ATOM 0 HA MET A 31 1.571 -0.470 -5.903 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.798 0.361 -7.376 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.269 -1.198 -7.974 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.970 -2.256 -6.084 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.103 -1.134 -5.054 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.418 -0.852 -6.531 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.167 -0.310 -7.674 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.141 -1.977 -7.052 1.00 0.00 H new ATOM 548 N GLU A 32 1.886 -0.379 -9.191 1.00 0.00 N ATOM 549 CA GLU A 32 2.654 -0.909 -10.305 1.00 0.00 C ATOM 550 C GLU A 32 4.151 -0.857 -9.990 1.00 0.00 C ATOM 551 O GLU A 32 4.933 -1.623 -10.550 1.00 0.00 O ATOM 552 CB GLU A 32 2.339 -0.152 -11.597 1.00 0.00 C ATOM 553 CG GLU A 32 2.138 -1.121 -12.764 1.00 0.00 C ATOM 554 CD GLU A 32 3.454 -1.803 -13.143 1.00 0.00 C ATOM 555 OE1 GLU A 32 3.530 -3.040 -13.154 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.421 -0.999 -13.434 1.00 0.00 O ATOM 0 H GLU A 32 1.163 0.292 -9.452 1.00 0.00 H new ATOM 0 HA GLU A 32 2.370 -1.951 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.441 0.450 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.152 0.537 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.399 -1.875 -12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.742 -0.582 -13.625 1.00 0.00 H new ATOM 564 N LYS A 33 4.504 0.055 -9.096 1.00 0.00 N ATOM 565 CA LYS A 33 5.892 0.217 -8.701 1.00 0.00 C ATOM 566 C LYS A 33 6.157 -0.603 -7.436 1.00 0.00 C ATOM 567 O LYS A 33 7.155 -1.316 -7.352 1.00 0.00 O ATOM 568 CB LYS A 33 6.239 1.700 -8.556 1.00 0.00 C ATOM 569 CG LYS A 33 7.465 2.061 -9.396 1.00 0.00 C ATOM 570 CD LYS A 33 7.349 3.480 -9.955 1.00 0.00 C ATOM 571 CE LYS A 33 7.579 3.494 -11.468 1.00 0.00 C ATOM 572 NZ LYS A 33 6.525 2.719 -12.160 1.00 0.00 N ATOM 0 H LYS A 33 3.852 0.689 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 33 6.555 -0.167 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.389 2.308 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.431 1.932 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.365 1.979 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.570 1.351 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.362 3.884 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.077 4.128 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.581 4.521 -11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.558 3.073 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.595 2.877 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.648 1.707 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.590 3.028 -11.825 1.00 0.00 H new ATOM 585 N GLU A 34 5.245 -0.473 -6.484 1.00 0.00 N ATOM 586 CA GLU A 34 5.367 -1.193 -5.227 1.00 0.00 C ATOM 587 C GLU A 34 4.778 -2.599 -5.362 1.00 0.00 C ATOM 588 O GLU A 34 5.510 -3.587 -5.340 1.00 0.00 O ATOM 589 CB GLU A 34 4.696 -0.424 -4.088 1.00 0.00 C ATOM 590 CG GLU A 34 5.723 0.390 -3.296 1.00 0.00 C ATOM 591 CD GLU A 34 6.552 -0.515 -2.383 1.00 0.00 C ATOM 592 OE1 GLU A 34 7.328 -1.348 -2.874 1.00 0.00 O ATOM 593 OE2 GLU A 34 6.370 -0.328 -1.119 1.00 0.00 O ATOM 0 H GLU A 34 4.418 0.120 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 34 6.426 -1.286 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.934 0.241 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.189 -1.122 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.382 0.920 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.212 1.145 -2.699 1.00 0.00 H new ATOM 601 N PHE A 35 3.461 -2.643 -5.497 1.00 0.00 N ATOM 602 CA PHE A 35 2.765 -3.912 -5.635 1.00 0.00 C ATOM 603 C PHE A 35 3.554 -4.876 -6.524 1.00 0.00 C ATOM 604 O PHE A 35 3.488 -6.090 -6.340 1.00 0.00 O ATOM 605 CB PHE A 35 1.418 -3.614 -6.296 1.00 0.00 C ATOM 606 CG PHE A 35 0.512 -4.838 -6.442 1.00 0.00 C ATOM 607 CD1 PHE A 35 -0.152 -5.326 -5.360 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.371 -5.438 -7.654 1.00 0.00 C ATOM 609 CE1 PHE A 35 -0.992 -6.462 -5.496 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.470 -6.575 -7.790 1.00 0.00 C ATOM 611 CZ PHE A 35 -1.134 -7.062 -6.708 1.00 0.00 C ATOM 0 H PHE A 35 2.857 -1.821 -5.514 1.00 0.00 H new ATOM 0 HA PHE A 35 2.644 -4.378 -4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.897 -2.857 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.596 -3.187 -7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.040 -4.849 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.898 -5.050 -8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.519 -6.850 -4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.582 -7.052 -8.752 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.774 -7.926 -6.811 1.00 0.00 H new ATOM 621 N GLU A 36 4.282 -4.298 -7.468 1.00 0.00 N ATOM 622 CA GLU A 36 5.083 -5.091 -8.386 1.00 0.00 C ATOM 623 C GLU A 36 6.203 -5.808 -7.630 1.00 0.00 C ATOM 624 O GLU A 36 6.438 -6.997 -7.841 1.00 0.00 O ATOM 625 CB GLU A 36 5.649 -4.222 -9.510 1.00 0.00 C ATOM 626 CG GLU A 36 6.515 -5.052 -10.461 1.00 0.00 C ATOM 627 CD GLU A 36 5.998 -4.955 -11.898 1.00 0.00 C ATOM 628 OE1 GLU A 36 4.905 -5.457 -12.199 1.00 0.00 O ATOM 629 OE2 GLU A 36 6.776 -4.331 -12.716 1.00 0.00 O ATOM 0 H GLU A 36 4.334 -3.290 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 36 4.440 -5.844 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.832 -3.761 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.242 -3.412 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.547 -4.703 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.517 -6.094 -10.141 1.00 0.00 H new ATOM 637 N HIS A 37 6.865 -5.055 -6.763 1.00 0.00 N ATOM 638 CA HIS A 37 7.955 -5.604 -5.975 1.00 0.00 C ATOM 639 C HIS A 37 7.395 -6.256 -4.709 1.00 0.00 C ATOM 640 O HIS A 37 7.849 -7.325 -4.304 1.00 0.00 O ATOM 641 CB HIS A 37 9.003 -4.530 -5.675 1.00 0.00 C ATOM 642 CG HIS A 37 10.003 -4.320 -6.786 1.00 0.00 C ATOM 643 ND1 HIS A 37 9.886 -3.304 -7.718 1.00 0.00 N ATOM 644 CD2 HIS A 37 11.139 -5.006 -7.104 1.00 0.00 C ATOM 645 CE1 HIS A 37 10.909 -3.384 -8.555 1.00 0.00 C ATOM 646 NE2 HIS A 37 11.685 -4.440 -8.173 1.00 0.00 N ATOM 0 H HIS A 37 6.667 -4.070 -6.589 1.00 0.00 H new ATOM 0 HA HIS A 37 8.467 -6.379 -6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.495 -3.587 -5.475 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.538 -4.803 -4.765 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.528 -5.864 -6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 37 11.096 -2.729 -9.393 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.543 -4.744 -8.633 1.00 0.00 H new ATOM 654 N LEU A 38 6.417 -5.585 -4.119 1.00 0.00 N ATOM 655 CA LEU A 38 5.790 -6.086 -2.908 1.00 0.00 C ATOM 656 C LEU A 38 5.508 -7.581 -3.065 1.00 0.00 C ATOM 657 O LEU A 38 4.663 -7.976 -3.867 1.00 0.00 O ATOM 658 CB LEU A 38 4.549 -5.259 -2.566 1.00 0.00 C ATOM 659 CG LEU A 38 4.785 -3.769 -2.308 1.00 0.00 C ATOM 660 CD1 LEU A 38 3.459 -3.018 -2.179 1.00 0.00 C ATOM 661 CD2 LEU A 38 5.683 -3.560 -1.087 1.00 0.00 C ATOM 0 H LEU A 38 6.043 -4.698 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 38 6.463 -5.976 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.835 -5.357 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.082 -5.691 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 38 5.308 -3.352 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.655 -1.962 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.888 -3.127 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.887 -3.430 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.835 -2.493 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.209 -3.996 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.646 -4.042 -1.257 1.00 0.00 H new ATOM 673 N SER A 39 6.232 -8.372 -2.287 1.00 0.00 N ATOM 674 CA SER A 39 6.071 -9.816 -2.330 1.00 0.00 C ATOM 675 C SER A 39 4.790 -10.221 -1.598 1.00 0.00 C ATOM 676 O SER A 39 4.175 -9.402 -0.917 1.00 0.00 O ATOM 677 CB SER A 39 7.280 -10.524 -1.716 1.00 0.00 C ATOM 678 OG SER A 39 8.511 -9.998 -2.206 1.00 0.00 O ATOM 0 H SER A 39 6.932 -8.041 -1.623 1.00 0.00 H new ATOM 0 HA SER A 39 5.998 -10.121 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.248 -10.422 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.227 -11.590 -1.937 1.00 0.00 H new ATOM 0 HG SER A 39 9.259 -10.474 -1.789 1.00 0.00 H new ATOM 684 N ASP A 40 4.427 -11.485 -1.762 1.00 0.00 N ATOM 685 CA ASP A 40 3.231 -12.009 -1.125 1.00 0.00 C ATOM 686 C ASP A 40 3.160 -11.498 0.316 1.00 0.00 C ATOM 687 O ASP A 40 2.160 -10.906 0.720 1.00 0.00 O ATOM 688 CB ASP A 40 3.254 -13.538 -1.083 1.00 0.00 C ATOM 689 CG ASP A 40 3.556 -14.216 -2.421 1.00 0.00 C ATOM 690 OD1 ASP A 40 3.692 -13.551 -3.458 1.00 0.00 O ATOM 691 OD2 ASP A 40 3.653 -15.502 -2.370 1.00 0.00 O ATOM 0 H ASP A 40 4.940 -12.161 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 40 2.369 -11.677 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.001 -13.856 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.288 -13.891 -0.723 1.00 0.00 H new ATOM 697 N LYS A 41 4.235 -11.744 1.051 1.00 0.00 N ATOM 698 CA LYS A 41 4.307 -11.316 2.437 1.00 0.00 C ATOM 699 C LYS A 41 4.039 -9.812 2.517 1.00 0.00 C ATOM 700 O LYS A 41 3.139 -9.376 3.233 1.00 0.00 O ATOM 701 CB LYS A 41 5.641 -11.737 3.059 1.00 0.00 C ATOM 702 CG LYS A 41 5.867 -11.033 4.398 1.00 0.00 C ATOM 703 CD LYS A 41 7.128 -11.559 5.087 1.00 0.00 C ATOM 704 CE LYS A 41 8.012 -10.406 5.568 1.00 0.00 C ATOM 705 NZ LYS A 41 9.340 -10.909 5.985 1.00 0.00 N ATOM 0 H LYS A 41 5.063 -12.234 0.712 1.00 0.00 H new ATOM 0 HA LYS A 41 3.536 -11.809 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.654 -12.817 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.456 -11.498 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.957 -9.959 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.003 -11.188 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.849 -12.186 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.689 -12.188 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.129 -9.672 4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.532 -9.896 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.927 -10.113 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.225 -11.592 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.803 -11.376 5.179 1.00 0.00 H new ATOM 718 N GLU A 42 4.836 -9.061 1.772 1.00 0.00 N ATOM 719 CA GLU A 42 4.696 -7.615 1.750 1.00 0.00 C ATOM 720 C GLU A 42 3.253 -7.226 1.422 1.00 0.00 C ATOM 721 O GLU A 42 2.690 -6.331 2.049 1.00 0.00 O ATOM 722 CB GLU A 42 5.673 -6.984 0.755 1.00 0.00 C ATOM 723 CG GLU A 42 7.060 -6.820 1.379 1.00 0.00 C ATOM 724 CD GLU A 42 7.112 -5.586 2.283 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.068 -4.451 1.786 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.200 -5.839 3.545 1.00 0.00 O ATOM 0 H GLU A 42 5.581 -9.427 1.179 1.00 0.00 H new ATOM 0 HA GLU A 42 4.939 -7.231 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.743 -7.607 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.296 -6.012 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.310 -7.710 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.809 -6.730 0.592 1.00 0.00 H new ATOM 734 N LEU A 43 2.696 -7.919 0.439 1.00 0.00 N ATOM 735 CA LEU A 43 1.329 -7.658 0.021 1.00 0.00 C ATOM 736 C LEU A 43 0.409 -7.705 1.242 1.00 0.00 C ATOM 737 O LEU A 43 -0.629 -7.045 1.267 1.00 0.00 O ATOM 738 CB LEU A 43 0.918 -8.620 -1.096 1.00 0.00 C ATOM 739 CG LEU A 43 1.715 -8.515 -2.399 1.00 0.00 C ATOM 740 CD1 LEU A 43 1.717 -9.848 -3.149 1.00 0.00 C ATOM 741 CD2 LEU A 43 1.194 -7.369 -3.268 1.00 0.00 C ATOM 0 H LEU A 43 3.167 -8.661 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 43 1.245 -6.658 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.006 -9.640 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.135 -8.453 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 43 2.751 -8.285 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.290 -9.746 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.170 -10.617 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.692 -10.132 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.777 -7.316 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.146 -7.545 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.287 -6.429 -2.724 1.00 0.00 H new ATOM 753 N SER A 44 0.822 -8.491 2.225 1.00 0.00 N ATOM 754 CA SER A 44 0.047 -8.631 3.446 1.00 0.00 C ATOM 755 C SER A 44 -0.044 -7.285 4.167 1.00 0.00 C ATOM 756 O SER A 44 -1.108 -6.909 4.655 1.00 0.00 O ATOM 757 CB SER A 44 0.660 -9.687 4.369 1.00 0.00 C ATOM 758 OG SER A 44 -0.264 -10.133 5.358 1.00 0.00 O ATOM 0 H SER A 44 1.683 -9.037 2.201 1.00 0.00 H new ATOM 0 HA SER A 44 -0.957 -8.960 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.994 -10.538 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.542 -9.273 4.857 1.00 0.00 H new ATOM 0 HG SER A 44 0.164 -10.807 5.926 1.00 0.00 H new ATOM 764 N GLU A 45 1.087 -6.595 4.210 1.00 0.00 N ATOM 765 CA GLU A 45 1.148 -5.299 4.862 1.00 0.00 C ATOM 766 C GLU A 45 0.325 -4.272 4.082 1.00 0.00 C ATOM 767 O GLU A 45 -0.445 -3.513 4.669 1.00 0.00 O ATOM 768 CB GLU A 45 2.597 -4.833 5.021 1.00 0.00 C ATOM 769 CG GLU A 45 3.479 -5.960 5.562 1.00 0.00 C ATOM 770 CD GLU A 45 2.761 -6.735 6.669 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.334 -6.137 7.668 1.00 0.00 O ATOM 772 OE2 GLU A 45 2.653 -8.004 6.463 1.00 0.00 O ATOM 0 H GLU A 45 1.968 -6.910 3.804 1.00 0.00 H new ATOM 0 HA GLU A 45 0.720 -5.396 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.982 -4.495 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.636 -3.979 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.745 -6.639 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.410 -5.545 5.949 1.00 0.00 H new ATOM 780 N PHE A 46 0.514 -4.282 2.771 1.00 0.00 N ATOM 781 CA PHE A 46 -0.202 -3.362 1.904 1.00 0.00 C ATOM 782 C PHE A 46 -1.687 -3.309 2.267 1.00 0.00 C ATOM 783 O PHE A 46 -2.288 -2.236 2.282 1.00 0.00 O ATOM 784 CB PHE A 46 -0.057 -3.889 0.475 1.00 0.00 C ATOM 785 CG PHE A 46 0.009 -2.792 -0.589 1.00 0.00 C ATOM 786 CD1 PHE A 46 -0.413 -1.533 -0.295 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.488 -3.075 -1.830 1.00 0.00 C ATOM 788 CE1 PHE A 46 -0.352 -0.514 -1.283 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.549 -2.057 -2.818 1.00 0.00 C ATOM 790 CZ PHE A 46 0.128 -0.798 -2.523 1.00 0.00 C ATOM 0 H PHE A 46 1.153 -4.913 2.288 1.00 0.00 H new ATOM 0 HA PHE A 46 0.206 -2.357 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.846 -4.496 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.899 -4.545 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.795 -1.308 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.822 -4.075 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.687 0.486 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.930 -2.282 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.175 -0.023 -3.274 1.00 0.00 H new ATOM 800 N SER A 47 -2.236 -4.481 2.553 1.00 0.00 N ATOM 801 CA SER A 47 -3.639 -4.581 2.915 1.00 0.00 C ATOM 802 C SER A 47 -3.899 -3.822 4.217 1.00 0.00 C ATOM 803 O SER A 47 -4.982 -3.273 4.415 1.00 0.00 O ATOM 804 CB SER A 47 -4.067 -6.043 3.059 1.00 0.00 C ATOM 805 OG SER A 47 -5.446 -6.165 3.396 1.00 0.00 O ATOM 0 H SER A 47 -1.734 -5.369 2.541 1.00 0.00 H new ATOM 0 HA SER A 47 -4.231 -4.133 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.874 -6.571 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.462 -6.524 3.828 1.00 0.00 H new ATOM 0 HG SER A 47 -5.680 -7.113 3.477 1.00 0.00 H new ATOM 811 N GLU A 48 -2.887 -3.813 5.073 1.00 0.00 N ATOM 812 CA GLU A 48 -2.992 -3.130 6.350 1.00 0.00 C ATOM 813 C GLU A 48 -3.092 -1.618 6.137 1.00 0.00 C ATOM 814 O GLU A 48 -3.908 -0.950 6.770 1.00 0.00 O ATOM 815 CB GLU A 48 -1.811 -3.479 7.258 1.00 0.00 C ATOM 816 CG GLU A 48 -1.792 -4.974 7.583 1.00 0.00 C ATOM 817 CD GLU A 48 -1.411 -5.213 9.045 1.00 0.00 C ATOM 818 OE1 GLU A 48 -0.258 -4.971 9.433 1.00 0.00 O ATOM 819 OE2 GLU A 48 -2.363 -5.665 9.789 1.00 0.00 O ATOM 0 H GLU A 48 -1.990 -4.269 4.906 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.901 -3.468 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.878 -3.197 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.875 -2.903 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.773 -5.405 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.082 -5.482 6.931 1.00 0.00 H new ATOM 827 N ILE A 49 -2.250 -1.122 5.242 1.00 0.00 N ATOM 828 CA ILE A 49 -2.232 0.298 4.938 1.00 0.00 C ATOM 829 C ILE A 49 -3.445 0.645 4.072 1.00 0.00 C ATOM 830 O ILE A 49 -4.116 1.648 4.309 1.00 0.00 O ATOM 831 CB ILE A 49 -0.895 0.695 4.309 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.122 1.650 5.222 1.00 0.00 C ATOM 833 CG2 ILE A 49 -1.099 1.280 2.910 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.341 1.758 4.789 1.00 0.00 C ATOM 0 H ILE A 49 -1.575 -1.679 4.718 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.314 0.884 5.853 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.290 -0.205 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.586 2.636 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.175 1.297 6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.133 1.554 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.578 0.538 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.731 2.166 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.868 2.442 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.808 0.774 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.391 2.134 3.767 1.00 0.00 H new ATOM 846 N LEU A 50 -3.690 -0.206 3.086 1.00 0.00 N ATOM 847 CA LEU A 50 -4.811 -0.003 2.183 1.00 0.00 C ATOM 848 C LEU A 50 -6.112 0.019 2.989 1.00 0.00 C ATOM 849 O LEU A 50 -7.021 0.790 2.685 1.00 0.00 O ATOM 850 CB LEU A 50 -4.797 -1.049 1.067 1.00 0.00 C ATOM 851 CG LEU A 50 -3.639 -0.951 0.072 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.548 -2.213 -0.789 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.751 0.316 -0.779 1.00 0.00 C ATOM 0 H LEU A 50 -3.132 -1.037 2.893 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.728 0.962 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.775 -2.039 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.733 -0.974 0.514 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.710 -0.878 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.717 -2.118 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.386 -3.080 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.477 -2.342 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.915 0.360 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.688 0.299 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.729 1.192 -0.131 1.00 0.00 H new ATOM 865 N GLU A 51 -6.158 -0.835 4.000 1.00 0.00 N ATOM 866 CA GLU A 51 -7.332 -0.924 4.852 1.00 0.00 C ATOM 867 C GLU A 51 -7.906 0.471 5.111 1.00 0.00 C ATOM 868 O GLU A 51 -9.122 0.647 5.154 1.00 0.00 O ATOM 869 CB GLU A 51 -7.004 -1.635 6.166 1.00 0.00 C ATOM 870 CG GLU A 51 -7.030 -3.155 5.988 1.00 0.00 C ATOM 871 CD GLU A 51 -8.163 -3.783 6.801 1.00 0.00 C ATOM 872 OE1 GLU A 51 -9.299 -3.287 6.768 1.00 0.00 O ATOM 873 OE2 GLU A 51 -7.830 -4.825 7.486 1.00 0.00 O ATOM 0 H GLU A 51 -5.401 -1.472 4.249 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.087 -1.517 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.020 -1.323 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.723 -1.342 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.156 -3.399 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.075 -3.578 6.301 1.00 0.00 H new ATOM 881 N PHE A 52 -7.003 1.425 5.279 1.00 0.00 N ATOM 882 CA PHE A 52 -7.403 2.799 5.533 1.00 0.00 C ATOM 883 C PHE A 52 -8.071 3.412 4.301 1.00 0.00 C ATOM 884 O PHE A 52 -7.839 2.967 3.178 1.00 0.00 O ATOM 885 CB PHE A 52 -6.130 3.584 5.853 1.00 0.00 C ATOM 886 CG PHE A 52 -5.965 3.924 7.336 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.863 4.739 7.951 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.919 3.412 8.038 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.710 5.054 9.327 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.765 3.728 9.414 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.664 4.542 10.030 1.00 0.00 C ATOM 0 H PHE A 52 -5.995 1.274 5.244 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.118 2.832 6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.266 3.005 5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.131 4.509 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.693 5.147 7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.205 2.765 7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.424 5.700 9.816 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.934 3.322 9.971 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.547 4.782 11.077 1.00 0.00 H new ATOM 901 N GLN A 53 -8.887 4.425 4.553 1.00 0.00 N ATOM 902 CA GLN A 53 -9.591 5.104 3.478 1.00 0.00 C ATOM 903 C GLN A 53 -8.613 5.940 2.649 1.00 0.00 C ATOM 904 O GLN A 53 -7.435 6.042 2.988 1.00 0.00 O ATOM 905 CB GLN A 53 -10.725 5.972 4.027 1.00 0.00 C ATOM 906 CG GLN A 53 -11.341 5.342 5.277 1.00 0.00 C ATOM 907 CD GLN A 53 -12.868 5.433 5.241 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.490 5.456 4.192 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.436 5.483 6.443 1.00 0.00 N ATOM 0 H GLN A 53 -9.076 4.792 5.486 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.037 4.350 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.345 6.965 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.493 6.099 3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.037 4.298 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.964 5.847 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.857 5.460 7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.451 5.545 6.525 1.00 0.00 H new ATOM 918 N ASP A 54 -9.138 6.516 1.577 1.00 0.00 N ATOM 919 CA ASP A 54 -8.326 7.339 0.697 1.00 0.00 C ATOM 920 C ASP A 54 -7.924 8.620 1.431 1.00 0.00 C ATOM 921 O ASP A 54 -6.742 8.952 1.506 1.00 0.00 O ATOM 922 CB ASP A 54 -9.105 7.738 -0.558 1.00 0.00 C ATOM 923 CG ASP A 54 -8.832 6.874 -1.790 1.00 0.00 C ATOM 924 OD1 ASP A 54 -9.030 7.311 -2.934 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.391 5.688 -1.538 1.00 0.00 O ATOM 0 H ASP A 54 -10.115 6.429 1.298 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.449 6.760 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.171 7.698 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.869 8.774 -0.800 1.00 0.00 H new ATOM 931 N GLN A 55 -8.930 9.305 1.954 1.00 0.00 N ATOM 932 CA GLN A 55 -8.697 10.542 2.679 1.00 0.00 C ATOM 933 C GLN A 55 -7.641 10.329 3.766 1.00 0.00 C ATOM 934 O GLN A 55 -6.603 10.991 3.766 1.00 0.00 O ATOM 935 CB GLN A 55 -9.998 11.081 3.278 1.00 0.00 C ATOM 936 CG GLN A 55 -10.019 12.611 3.256 1.00 0.00 C ATOM 937 CD GLN A 55 -11.447 13.137 3.094 1.00 0.00 C ATOM 938 OE1 GLN A 55 -12.279 13.033 3.980 1.00 0.00 O ATOM 939 NE2 GLN A 55 -11.682 13.707 1.915 1.00 0.00 N ATOM 0 H GLN A 55 -9.909 9.026 1.890 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.323 11.287 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.849 10.694 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.105 10.727 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.588 12.998 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.398 12.975 2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.940 13.761 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.604 14.090 1.709 1.00 0.00 H new ATOM 948 N GLU A 56 -7.941 9.404 4.665 1.00 0.00 N ATOM 949 CA GLU A 56 -7.030 9.096 5.754 1.00 0.00 C ATOM 950 C GLU A 56 -5.626 8.822 5.211 1.00 0.00 C ATOM 951 O GLU A 56 -4.645 9.365 5.716 1.00 0.00 O ATOM 952 CB GLU A 56 -7.540 7.911 6.577 1.00 0.00 C ATOM 953 CG GLU A 56 -8.921 8.207 7.166 1.00 0.00 C ATOM 954 CD GLU A 56 -8.853 8.334 8.689 1.00 0.00 C ATOM 955 OE1 GLU A 56 -7.934 7.786 9.316 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.798 9.032 9.221 1.00 0.00 O ATOM 0 H GLU A 56 -8.802 8.858 4.662 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.980 9.961 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.592 7.022 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.837 7.692 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.312 9.130 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.614 7.411 6.895 1.00 0.00 H new ATOM 964 N LEU A 57 -5.576 7.980 4.190 1.00 0.00 N ATOM 965 CA LEU A 57 -4.308 7.627 3.573 1.00 0.00 C ATOM 966 C LEU A 57 -3.556 8.905 3.197 1.00 0.00 C ATOM 967 O LEU A 57 -2.452 9.146 3.684 1.00 0.00 O ATOM 968 CB LEU A 57 -4.532 6.677 2.395 1.00 0.00 C ATOM 969 CG LEU A 57 -3.270 6.146 1.712 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.515 5.182 2.629 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.603 5.509 0.362 1.00 0.00 C ATOM 0 H LEU A 57 -6.392 7.532 3.774 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.680 7.082 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.116 5.826 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.136 7.192 1.648 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.608 6.989 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.622 4.819 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.226 5.701 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.158 4.338 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.688 5.140 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.294 4.679 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.064 6.253 -0.287 1.00 0.00 H new ATOM 983 N LEU A 58 -4.183 9.691 2.334 1.00 0.00 N ATOM 984 CA LEU A 58 -3.586 10.939 1.888 1.00 0.00 C ATOM 985 C LEU A 58 -3.138 11.749 3.105 1.00 0.00 C ATOM 986 O LEU A 58 -1.951 12.024 3.270 1.00 0.00 O ATOM 987 CB LEU A 58 -4.547 11.693 0.967 1.00 0.00 C ATOM 988 CG LEU A 58 -3.911 12.405 -0.228 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.330 11.398 -1.222 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.907 13.357 -0.893 1.00 0.00 C ATOM 0 H LEU A 58 -5.098 9.488 1.932 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.696 10.743 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.288 10.987 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.084 12.432 1.562 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.082 13.010 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.884 11.931 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.567 10.797 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.124 10.747 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.429 13.850 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.772 12.793 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.231 14.107 -0.171 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.113 12.110 3.927 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.834 12.883 5.125 1.00 0.00 C ATOM 1004 C ALA A 59 -2.665 12.246 5.878 1.00 0.00 C ATOM 1005 O ALA A 59 -1.742 12.940 6.303 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.099 12.974 5.981 1.00 0.00 C ATOM 0 H ALA A 59 -5.097 11.881 3.787 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.543 13.901 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.889 13.554 6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.890 13.461 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.420 11.971 6.263 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.741 10.931 6.021 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.701 10.192 6.716 1.00 0.00 C ATOM 1014 C LEU A 60 -0.332 10.639 6.199 1.00 0.00 C ATOM 1015 O LEU A 60 0.472 11.185 6.953 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.942 8.685 6.595 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.512 7.996 7.836 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.150 6.653 7.472 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.444 7.847 8.921 1.00 0.00 C ATOM 0 H LEU A 60 -3.507 10.358 5.667 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.727 10.411 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.624 8.512 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.997 8.205 6.339 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.300 8.628 8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.548 6.183 8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.959 6.816 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.398 6.002 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.876 7.354 9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.618 7.248 8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.076 8.832 9.207 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.109 10.390 4.917 1.00 0.00 N ATOM 1032 CA ILE A 61 1.149 10.761 4.291 1.00 0.00 C ATOM 1033 C ILE A 61 1.469 12.219 4.623 1.00 0.00 C ATOM 1034 O ILE A 61 2.587 12.537 5.025 1.00 0.00 O ATOM 1035 CB ILE A 61 1.107 10.467 2.790 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.297 8.973 2.518 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.127 11.322 2.035 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.223 8.675 1.019 1.00 0.00 C ATOM 0 H ILE A 61 -0.778 9.936 4.295 1.00 0.00 H new ATOM 0 HA ILE A 61 1.965 10.157 4.688 1.00 0.00 H new ATOM 0 HB ILE A 61 0.120 10.739 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.261 8.648 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.531 8.404 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.076 11.093 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.903 12.377 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.129 11.105 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.361 7.607 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.249 8.979 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.006 9.227 0.499 1.00 0.00 H new ATOM 1050 N ASN A 62 0.467 13.068 4.443 1.00 0.00 N ATOM 1051 CA ASN A 62 0.628 14.485 4.718 1.00 0.00 C ATOM 1052 C ASN A 62 1.014 14.674 6.187 1.00 0.00 C ATOM 1053 O ASN A 62 1.682 15.646 6.537 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.676 15.246 4.470 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.675 15.899 3.087 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -0.300 17.046 2.913 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -1.116 15.106 2.114 1.00 0.00 N ATOM 0 H ASN A 62 -0.459 12.801 4.110 1.00 0.00 H new ATOM 0 HA ASN A 62 1.402 14.871 4.055 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.521 14.563 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.807 16.010 5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.155 15.449 1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.415 14.155 2.328 1.00 0.00 H new ATOM 1064 N GLY A 63 0.577 13.730 7.007 1.00 0.00 N ATOM 1065 CA GLY A 63 0.868 13.780 8.429 1.00 0.00 C ATOM 1066 C GLY A 63 -0.379 14.156 9.231 1.00 0.00 C ATOM 1067 O GLY A 63 -0.275 14.691 10.334 1.00 0.00 O ATOM 0 H GLY A 63 0.023 12.925 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.240 12.811 8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.658 14.507 8.617 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.531 13.861 8.646 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.797 14.162 9.293 1.00 0.00 C ATOM 1073 C HIS A 64 -3.167 13.027 10.250 1.00 0.00 C ATOM 1074 O HIS A 64 -2.937 13.126 11.454 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.885 14.439 8.254 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.523 15.802 8.381 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -5.308 16.165 9.461 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -4.482 16.885 7.553 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.717 17.412 9.281 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.205 17.857 8.098 1.00 0.00 N ATOM 0 H HIS A 64 -1.614 13.417 7.732 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.700 15.072 9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.454 14.342 7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.659 13.677 8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.952 16.943 6.614 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.346 17.977 9.953 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.353 18.783 7.698 1.00 0.00 H new ATOM 1088 N SER A 65 -3.733 11.974 9.678 1.00 0.00 N ATOM 1089 CA SER A 65 -4.137 10.822 10.466 1.00 0.00 C ATOM 1090 C SER A 65 -2.904 10.132 11.054 1.00 0.00 C ATOM 1091 O SER A 65 -1.774 10.518 10.761 1.00 0.00 O ATOM 1092 CB SER A 65 -4.945 9.834 9.622 1.00 0.00 C ATOM 1093 OG SER A 65 -6.335 9.880 9.932 1.00 0.00 O ATOM 0 H SER A 65 -3.921 11.895 8.679 1.00 0.00 H new ATOM 0 HA SER A 65 -4.774 11.170 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.802 10.058 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.570 8.824 9.788 1.00 0.00 H new ATOM 0 HG SER A 65 -6.738 9.003 9.761 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.165 9.125 11.874 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.090 8.378 12.506 1.00 0.00 C ATOM 1101 C GLU A 66 -2.241 6.883 12.218 1.00 0.00 C ATOM 1102 O GLU A 66 -3.248 6.454 11.656 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.050 8.644 14.013 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.101 9.799 14.340 1.00 0.00 C ATOM 1105 CD GLU A 66 0.067 9.320 15.205 1.00 0.00 C ATOM 1106 OE1 GLU A 66 0.477 8.154 15.102 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.552 10.207 16.006 1.00 0.00 O ATOM 0 H GLU A 66 -4.104 8.809 12.116 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.143 8.716 12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.052 8.879 14.371 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.727 7.744 14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.720 10.234 13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.646 10.586 14.862 1.00 0.00 H new ATOM 1115 N THR A 67 -1.226 6.131 12.615 1.00 0.00 N ATOM 1116 CA THR A 67 -1.233 4.693 12.406 1.00 0.00 C ATOM 1117 C THR A 67 -1.029 3.960 13.734 1.00 0.00 C ATOM 1118 O THR A 67 -0.015 4.152 14.403 1.00 0.00 O ATOM 1119 CB THR A 67 -0.168 4.362 11.359 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.649 3.173 10.738 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.161 3.942 11.989 1.00 0.00 C ATOM 0 H THR A 67 -0.393 6.490 13.081 1.00 0.00 H new ATOM 0 HA THR A 67 -2.197 4.353 12.028 1.00 0.00 H new ATOM 0 HB THR A 67 -0.008 5.229 10.718 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.485 3.219 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.882 3.718 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.542 4.753 12.610 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.008 3.055 12.604 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.008 3.135 14.075 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.948 2.373 15.310 1.00 0.00 C ATOM 1131 C ASP A 68 -1.322 1.005 15.030 1.00 0.00 C ATOM 1132 O ASP A 68 -1.724 0.002 15.617 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.348 2.143 15.884 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.426 2.130 17.412 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -2.481 1.711 18.096 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -4.530 2.581 17.905 1.00 0.00 O ATOM 0 H ASP A 68 -2.847 2.978 13.517 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.353 2.939 16.027 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.011 2.922 15.508 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.727 1.193 15.508 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.346 1.009 14.134 1.00 0.00 N ATOM 1143 CA LYS A 69 0.340 -0.219 13.769 1.00 0.00 C ATOM 1144 C LYS A 69 1.762 0.113 13.313 1.00 0.00 C ATOM 1145 O LYS A 69 1.956 0.939 12.423 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.472 -0.999 12.732 1.00 0.00 C ATOM 1147 CG LYS A 69 -0.213 -2.502 12.852 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.301 -3.181 13.687 1.00 0.00 C ATOM 1149 CE LYS A 69 -0.743 -4.397 14.429 1.00 0.00 C ATOM 1150 NZ LYS A 69 -1.840 -5.177 15.044 1.00 0.00 N ATOM 0 H LYS A 69 -0.014 1.843 13.650 1.00 0.00 H new ATOM 0 HA LYS A 69 0.427 -0.878 14.633 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.534 -0.797 12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.210 -0.660 11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.180 -2.949 11.859 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.761 -2.671 13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.711 -2.470 14.404 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.121 -3.490 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.184 -5.027 13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.044 -4.071 15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.444 -5.999 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.356 -4.577 15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.492 -5.504 14.302 1.00 0.00 H new ATOM 1163 N GLY A 70 2.721 -0.548 13.944 1.00 0.00 N ATOM 1164 CA GLY A 70 4.120 -0.334 13.615 1.00 0.00 C ATOM 1165 C GLY A 70 4.531 -1.168 12.400 1.00 0.00 C ATOM 1166 O GLY A 70 5.645 -1.031 11.897 1.00 0.00 O ATOM 0 H GLY A 70 2.557 -1.233 14.682 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.292 0.723 13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.743 -0.598 14.470 1.00 0.00 H new ATOM 1170 N HIS A 71 3.609 -2.014 11.963 1.00 0.00 N ATOM 1171 CA HIS A 71 3.862 -2.870 10.817 1.00 0.00 C ATOM 1172 C HIS A 71 3.723 -2.056 9.528 1.00 0.00 C ATOM 1173 O HIS A 71 4.147 -2.499 8.462 1.00 0.00 O ATOM 1174 CB HIS A 71 2.950 -4.098 10.844 1.00 0.00 C ATOM 1175 CG HIS A 71 3.691 -5.412 10.901 1.00 0.00 C ATOM 1176 ND1 HIS A 71 4.990 -5.560 10.449 1.00 0.00 N ATOM 1177 CD2 HIS A 71 3.301 -6.636 11.361 1.00 0.00 C ATOM 1178 CE1 HIS A 71 5.356 -6.820 10.633 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.308 -7.485 11.198 1.00 0.00 N ATOM 0 H HIS A 71 2.686 -2.125 12.382 1.00 0.00 H new ATOM 0 HA HIS A 71 4.884 -3.248 10.859 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.289 -4.028 11.708 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.317 -4.088 9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.337 -6.874 11.786 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.316 -7.246 10.380 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.299 -8.472 11.453 1.00 0.00 H new ATOM 1187 N LEU A 72 3.127 -0.882 9.670 1.00 0.00 N ATOM 1188 CA LEU A 72 2.927 -0.002 8.530 1.00 0.00 C ATOM 1189 C LEU A 72 4.031 1.056 8.508 1.00 0.00 C ATOM 1190 O LEU A 72 4.314 1.641 7.464 1.00 0.00 O ATOM 1191 CB LEU A 72 1.513 0.584 8.548 1.00 0.00 C ATOM 1192 CG LEU A 72 0.414 -0.331 9.091 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.728 0.485 9.699 1.00 0.00 C ATOM 1194 CD2 LEU A 72 -0.081 -1.294 8.011 1.00 0.00 C ATOM 0 H LEU A 72 2.776 -0.519 10.556 1.00 0.00 H new ATOM 0 HA LEU A 72 3.004 -0.562 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.527 1.496 9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.248 0.873 7.531 1.00 0.00 H new ATOM 0 HG LEU A 72 0.838 -0.937 9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.496 -0.190 10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.344 1.094 10.518 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.159 1.133 8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.862 -1.933 8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.483 -0.725 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.748 -1.911 7.666 1.00 0.00 H new ATOM 1206 N ILE A 73 4.625 1.270 9.673 1.00 0.00 N ATOM 1207 CA ILE A 73 5.693 2.248 9.800 1.00 0.00 C ATOM 1208 C ILE A 73 6.667 2.088 8.631 1.00 0.00 C ATOM 1209 O ILE A 73 7.030 3.068 7.983 1.00 0.00 O ATOM 1210 CB ILE A 73 6.357 2.139 11.174 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.645 3.024 12.199 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.852 2.453 11.086 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.581 3.389 13.353 1.00 0.00 C ATOM 0 H ILE A 73 4.387 0.783 10.537 1.00 0.00 H new ATOM 0 HA ILE A 73 5.292 3.260 9.744 1.00 0.00 H new ATOM 0 HB ILE A 73 6.263 1.109 11.518 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.288 3.933 11.714 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.769 2.504 12.587 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.300 2.369 12.076 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.333 1.747 10.408 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.989 3.467 10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.050 4.018 14.067 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.917 2.479 13.851 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.444 3.930 12.964 1.00 0.00 H new ATOM 1225 N PRO A 74 7.073 0.812 8.392 1.00 0.00 N ATOM 1226 CA PRO A 74 7.998 0.512 7.312 1.00 0.00 C ATOM 1227 C PRO A 74 7.297 0.581 5.954 1.00 0.00 C ATOM 1228 O PRO A 74 7.819 1.174 5.011 1.00 0.00 O ATOM 1229 CB PRO A 74 8.539 -0.872 7.632 1.00 0.00 C ATOM 1230 CG PRO A 74 7.558 -1.486 8.617 1.00 0.00 C ATOM 1231 CD PRO A 74 6.663 -0.373 9.139 1.00 0.00 C ATOM 0 HA PRO A 74 8.810 1.236 7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.618 -1.479 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.538 -0.811 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.962 -2.259 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.091 -1.964 9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.610 -0.601 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.793 -0.230 10.212 1.00 0.00 H new ATOM 1239 N MET A 75 6.125 -0.035 5.897 1.00 0.00 N ATOM 1240 CA MET A 75 5.347 -0.051 4.670 1.00 0.00 C ATOM 1241 C MET A 75 5.056 1.372 4.186 1.00 0.00 C ATOM 1242 O MET A 75 5.009 1.625 2.984 1.00 0.00 O ATOM 1243 CB MET A 75 4.027 -0.787 4.912 1.00 0.00 C ATOM 1244 CG MET A 75 3.883 -1.978 3.962 1.00 0.00 C ATOM 1245 SD MET A 75 5.289 -3.065 4.127 1.00 0.00 S ATOM 1246 CE MET A 75 5.373 -3.194 5.906 1.00 0.00 C ATOM 0 H MET A 75 5.696 -0.527 6.681 1.00 0.00 H new ATOM 0 HA MET A 75 5.925 -0.565 3.902 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.983 -1.133 5.945 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.192 -0.101 4.770 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.965 -2.522 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.804 -1.626 2.934 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.831 -4.144 6.181 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.973 -2.375 6.302 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.367 -3.142 6.322 1.00 0.00 H new ATOM 1256 N LEU A 76 4.869 2.263 5.149 1.00 0.00 N ATOM 1257 CA LEU A 76 4.585 3.653 4.836 1.00 0.00 C ATOM 1258 C LEU A 76 5.796 4.272 4.134 1.00 0.00 C ATOM 1259 O LEU A 76 5.650 4.952 3.120 1.00 0.00 O ATOM 1260 CB LEU A 76 4.151 4.408 6.094 1.00 0.00 C ATOM 1261 CG LEU A 76 2.656 4.707 6.215 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.355 5.489 7.496 1.00 0.00 C ATOM 1263 CD2 LEU A 76 2.139 5.428 4.969 1.00 0.00 C ATOM 0 H LEU A 76 4.909 2.049 6.146 1.00 0.00 H new ATOM 0 HA LEU A 76 3.745 3.723 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.457 3.828 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.694 5.352 6.132 1.00 0.00 H new ATOM 0 HG LEU A 76 2.122 3.759 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.285 5.689 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.665 4.903 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.900 6.433 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.074 5.629 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.675 6.369 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.300 4.800 4.092 1.00 0.00 H new ATOM 1275 N GLU A 77 6.964 4.013 4.703 1.00 0.00 N ATOM 1276 CA GLU A 77 8.200 4.536 4.145 1.00 0.00 C ATOM 1277 C GLU A 77 8.318 4.155 2.668 1.00 0.00 C ATOM 1278 O GLU A 77 8.492 5.021 1.812 1.00 0.00 O ATOM 1279 CB GLU A 77 9.412 4.042 4.937 1.00 0.00 C ATOM 1280 CG GLU A 77 9.709 4.967 6.119 1.00 0.00 C ATOM 1281 CD GLU A 77 8.522 5.025 7.082 1.00 0.00 C ATOM 1282 OE1 GLU A 77 7.415 5.415 6.680 1.00 0.00 O ATOM 1283 OE2 GLU A 77 8.779 4.645 8.288 1.00 0.00 O ATOM 0 H GLU A 77 7.081 3.448 5.544 1.00 0.00 H new ATOM 0 HA GLU A 77 8.178 5.623 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.226 3.031 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.282 3.991 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.594 4.614 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.935 5.969 5.754 1.00 0.00 H new ATOM 1291 N LYS A 78 8.219 2.858 2.414 1.00 0.00 N ATOM 1292 CA LYS A 78 8.312 2.352 1.055 1.00 0.00 C ATOM 1293 C LYS A 78 7.124 2.867 0.241 1.00 0.00 C ATOM 1294 O LYS A 78 7.306 3.536 -0.775 1.00 0.00 O ATOM 1295 CB LYS A 78 8.441 0.828 1.059 1.00 0.00 C ATOM 1296 CG LYS A 78 7.211 0.175 1.693 1.00 0.00 C ATOM 1297 CD LYS A 78 7.486 -1.289 2.042 1.00 0.00 C ATOM 1298 CE LYS A 78 8.403 -1.399 3.262 1.00 0.00 C ATOM 1299 NZ LYS A 78 8.586 -2.816 3.647 1.00 0.00 N ATOM 0 H LYS A 78 8.075 2.142 3.127 1.00 0.00 H new ATOM 0 HA LYS A 78 9.215 2.724 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.563 0.467 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.336 0.537 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.929 0.720 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.367 0.236 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.545 -1.802 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.947 -1.789 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.370 -0.949 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.977 -0.842 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.183 -2.974 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.103 -3.428 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.601 -3.044 3.660 1.00 0.00 H new ATOM 1312 N ILE A 79 5.933 2.535 0.718 1.00 0.00 N ATOM 1313 CA ILE A 79 4.714 2.955 0.046 1.00 0.00 C ATOM 1314 C ILE A 79 4.758 4.467 -0.181 1.00 0.00 C ATOM 1315 O ILE A 79 4.850 4.925 -1.319 1.00 0.00 O ATOM 1316 CB ILE A 79 3.484 2.485 0.826 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.377 0.959 0.814 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.213 3.153 0.298 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.547 0.459 1.998 1.00 0.00 C ATOM 0 H ILE A 79 5.786 1.980 1.561 1.00 0.00 H new ATOM 0 HA ILE A 79 4.638 2.487 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 79 3.601 2.791 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.921 0.630 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.374 0.520 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.353 2.802 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.300 4.235 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.078 2.899 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.486 -0.629 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.019 0.769 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.543 0.880 1.942 1.00 0.00 H new ATOM 1331 N ARG A 80 4.690 5.201 0.920 1.00 0.00 N ATOM 1332 CA ARG A 80 4.721 6.652 0.855 1.00 0.00 C ATOM 1333 C ARG A 80 5.732 7.115 -0.196 1.00 0.00 C ATOM 1334 O ARG A 80 5.522 8.128 -0.861 1.00 0.00 O ATOM 1335 CB ARG A 80 5.091 7.257 2.211 1.00 0.00 C ATOM 1336 CG ARG A 80 4.890 8.774 2.208 1.00 0.00 C ATOM 1337 CD ARG A 80 6.232 9.505 2.279 1.00 0.00 C ATOM 1338 NE ARG A 80 6.498 9.941 3.668 1.00 0.00 N ATOM 1339 CZ ARG A 80 7.501 10.773 4.020 1.00 0.00 C ATOM 1340 NH1 ARG A 80 8.341 11.268 3.087 1.00 0.00 N ATOM 1341 NH2 ARG A 80 7.647 11.097 5.292 1.00 0.00 N ATOM 0 H ARG A 80 4.614 4.818 1.862 1.00 0.00 H new ATOM 0 HA ARG A 80 3.723 6.993 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.479 6.807 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.130 7.025 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.357 9.072 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.269 9.064 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.032 8.849 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.221 10.368 1.614 1.00 0.00 H new ATOM 0 HE ARG A 80 5.886 9.591 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.221 11.014 2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.096 11.896 3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.007 10.720 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.400 11.724 5.575 1.00 0.00 H new ATOM 1354 N ARG A 81 6.808 6.351 -0.312 1.00 0.00 N ATOM 1355 CA ARG A 81 7.853 6.671 -1.270 1.00 0.00 C ATOM 1356 C ARG A 81 7.266 6.777 -2.679 1.00 0.00 C ATOM 1357 O ARG A 81 7.227 7.861 -3.259 1.00 0.00 O ATOM 1358 CB ARG A 81 8.952 5.607 -1.261 1.00 0.00 C ATOM 1359 CG ARG A 81 10.338 6.250 -1.338 1.00 0.00 C ATOM 1360 CD ARG A 81 11.168 5.633 -2.466 1.00 0.00 C ATOM 1361 NE ARG A 81 12.566 6.111 -2.386 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.496 5.596 -1.555 1.00 0.00 C ATOM 1363 NH1 ARG A 81 13.185 4.579 -0.724 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.716 6.101 -1.567 1.00 0.00 N ATOM 0 H ARG A 81 6.979 5.511 0.241 1.00 0.00 H new ATOM 0 HA ARG A 81 8.287 7.628 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.875 5.007 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.814 4.929 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.236 7.323 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.856 6.120 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.142 4.546 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.739 5.899 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 81 12.844 6.878 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.241 4.194 -0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.894 4.196 -0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.944 6.869 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.431 5.723 -0.945 1.00 0.00 H new ATOM 1377 N ALA A 82 6.825 5.636 -3.189 1.00 0.00 N ATOM 1378 CA ALA A 82 6.242 5.587 -4.519 1.00 0.00 C ATOM 1379 C ALA A 82 5.076 6.574 -4.597 1.00 0.00 C ATOM 1380 O ALA A 82 4.894 7.246 -5.611 1.00 0.00 O ATOM 1381 CB ALA A 82 5.814 4.153 -4.837 1.00 0.00 C ATOM 0 H ALA A 82 6.860 4.739 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 82 6.975 5.882 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.377 4.117 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.683 3.497 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.077 3.823 -4.105 1.00 0.00 H new TER 1387 ALA A 82