USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl -116:sc= -0.33 (180deg=-1.04) USER MOD Set 1.2: A 85 MET CE :methyl 154:sc= -3.04! (180deg=-3.93!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0924 (180deg=-0.122) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 70:sc= -1.26 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -120:sc= -0.114 USER MOD Single : A 23 ASN : amide:sc= -0.525 X(o=-0.52,f=-0.03) USER MOD Single : A 25 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.68) USER MOD Single : A 28 HIS : no HD1:sc= -0.664 X(o=-0.66,f=-0.51) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 36 GLN : amide:sc= 0.197 X(o=0.2,f=-0.027) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.957 K(o=-0.96,f=-5.1!) USER MOD Single : A 46 MET CE :methyl -106:sc= -1.1 (180deg=-5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 48:sc= 0.488 USER MOD Single : A 65 THR OG1 : rot 83:sc= 0.657 USER MOD Single : A 71 MET CE :methyl 180:sc=-0.00228 (180deg=-0.00228) USER MOD Single : A 76 THR OG1 : rot -88:sc= 1.24 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -168:sc= -5.05! (180deg=-6.31!) USER MOD Single : A 95 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 108 SER OG : rot -130:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 160:sc= -1.6 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 2.12 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 55.40 C ATOM 3 C MET A 1 2.966 -1.247 -1.343 1.00 43.44 C ATOM 4 O MET A 1 3.136 -1.978 -0.367 1.00 21.44 O ATOM 5 CB MET A 1 2.963 1.255 -1.332 1.00 1.43 C ATOM 6 CG MET A 1 3.904 1.427 -0.150 1.00 14.10 C ATOM 7 SD MET A 1 5.572 1.891 -0.653 1.00 63.13 S ATOM 8 CE MET A 1 5.959 3.141 0.570 1.00 63.32 C ATOM 0 H1 MET A 1 1.405 0.933 0.454 1.00 2.12 H new ATOM 0 H2 MET A 1 0.330 -0.204 -0.207 1.00 2.12 H new ATOM 0 H3 MET A 1 1.706 -0.728 0.640 1.00 2.12 H new ATOM 0 HA MET A 1 1.388 -0.006 -2.073 1.00 55.40 H new ATOM 0 HB2 MET A 1 3.549 1.216 -2.250 1.00 1.43 H new ATOM 0 HB3 MET A 1 2.317 2.130 -1.403 1.00 1.43 H new ATOM 0 HG2 MET A 1 3.505 2.189 0.519 1.00 14.10 H new ATOM 0 HG3 MET A 1 3.945 0.496 0.416 1.00 14.10 H new ATOM 0 HE1 MET A 1 6.963 3.526 0.391 1.00 63.32 H new ATOM 0 HE2 MET A 1 5.239 3.956 0.497 1.00 63.32 H new ATOM 0 HE3 MET A 1 5.911 2.702 1.567 1.00 63.32 H new ATOM 18 N SER A 2 3.518 -1.484 -2.529 1.00 54.23 N ATOM 19 CA SER A 2 4.370 -2.645 -2.757 1.00 32.41 C ATOM 20 C SER A 2 5.759 -2.424 -2.165 1.00 10.23 C ATOM 21 O SER A 2 6.388 -1.390 -2.397 1.00 4.44 O ATOM 22 CB SER A 2 4.482 -2.935 -4.255 1.00 33.45 C ATOM 23 OG SER A 2 3.276 -2.616 -4.928 1.00 15.20 O ATOM 0 H SER A 2 3.390 -0.887 -3.346 1.00 54.23 H new ATOM 0 HA SER A 2 3.915 -3.502 -2.261 1.00 32.41 H new ATOM 0 HB2 SER A 2 5.303 -2.357 -4.680 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.720 -3.988 -4.408 1.00 33.45 H new ATOM 0 HG SER A 2 3.374 -2.809 -5.884 1.00 15.20 H new ATOM 29 N LEU A 3 6.231 -3.402 -1.401 1.00 73.31 N ATOM 30 CA LEU A 3 7.546 -3.316 -0.774 1.00 75.02 C ATOM 31 C LEU A 3 8.599 -4.027 -1.618 1.00 14.53 C ATOM 32 O LEU A 3 8.288 -4.609 -2.658 1.00 42.22 O ATOM 33 CB LEU A 3 7.505 -3.924 0.629 1.00 63.32 C ATOM 34 CG LEU A 3 6.864 -5.307 0.743 1.00 12.11 C ATOM 35 CD1 LEU A 3 7.590 -6.149 1.780 1.00 30.40 C ATOM 36 CD2 LEU A 3 5.388 -5.183 1.092 1.00 14.33 C ATOM 0 H LEU A 3 5.724 -4.264 -1.200 1.00 73.31 H new ATOM 0 HA LEU A 3 7.817 -2.263 -0.699 1.00 75.02 H new ATOM 0 HB2 LEU A 3 8.526 -3.987 1.006 1.00 63.32 H new ATOM 0 HB3 LEU A 3 6.965 -3.240 1.284 1.00 63.32 H new ATOM 0 HG LEU A 3 6.948 -5.806 -0.222 1.00 12.11 H new ATOM 0 HD11 LEU A 3 7.119 -7.130 1.847 1.00 30.40 H new ATOM 0 HD12 LEU A 3 8.633 -6.267 1.487 1.00 30.40 H new ATOM 0 HD13 LEU A 3 7.539 -5.655 2.750 1.00 30.40 H new ATOM 0 HD21 LEU A 3 4.948 -6.177 1.169 1.00 14.33 H new ATOM 0 HD22 LEU A 3 5.282 -4.664 2.045 1.00 14.33 H new ATOM 0 HD23 LEU A 3 4.876 -4.619 0.312 1.00 14.33 H new ATOM 48 N LYS A 4 9.846 -3.978 -1.164 1.00 74.23 N ATOM 49 CA LYS A 4 10.946 -4.620 -1.874 1.00 53.11 C ATOM 50 C LYS A 4 10.776 -6.136 -1.883 1.00 23.13 C ATOM 51 O LYS A 4 10.703 -6.755 -2.945 1.00 33.14 O ATOM 52 CB LYS A 4 12.283 -4.250 -1.228 1.00 4.34 C ATOM 53 CG LYS A 4 12.507 -2.752 -1.109 1.00 14.11 C ATOM 54 CD LYS A 4 12.921 -2.143 -2.438 1.00 62.11 C ATOM 55 CE LYS A 4 11.748 -1.470 -3.133 1.00 4.50 C ATOM 56 NZ LYS A 4 12.197 -0.431 -4.101 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.121 -3.500 -0.306 1.00 74.23 H new ATOM 0 HA LYS A 4 10.937 -4.264 -2.904 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.333 -4.696 -0.235 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.093 -4.685 -1.814 1.00 4.34 H new ATOM 0 HG2 LYS A 4 11.593 -2.273 -0.757 1.00 14.11 H new ATOM 0 HG3 LYS A 4 13.277 -2.556 -0.363 1.00 14.11 H new ATOM 0 HD2 LYS A 4 13.715 -1.414 -2.274 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.330 -2.920 -3.084 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.156 -2.221 -3.656 1.00 4.50 H new ATOM 0 HE3 LYS A 4 11.097 -1.014 -2.387 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 11.368 0.004 -4.553 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 12.740 0.300 -3.599 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.797 -0.870 -4.828 1.00 25.42 H new ATOM 70 N SER A 5 10.714 -6.727 -0.695 1.00 45.41 N ATOM 71 CA SER A 5 10.555 -8.171 -0.567 1.00 45.22 C ATOM 72 C SER A 5 9.463 -8.682 -1.502 1.00 54.53 C ATOM 73 O SER A 5 9.508 -9.824 -1.961 1.00 44.30 O ATOM 74 CB SER A 5 10.219 -8.542 0.879 1.00 53.55 C ATOM 75 OG SER A 5 11.369 -8.475 1.704 1.00 22.21 O ATOM 0 H SER A 5 10.771 -6.229 0.193 1.00 45.41 H new ATOM 0 HA SER A 5 11.498 -8.642 -0.846 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.453 -7.867 1.262 1.00 53.55 H new ATOM 0 HB3 SER A 5 9.802 -9.549 0.912 1.00 53.55 H new ATOM 0 HG SER A 5 11.636 -7.539 1.818 1.00 22.21 H new ATOM 81 N ASP A 6 8.484 -7.829 -1.780 1.00 52.44 N ATOM 82 CA ASP A 6 7.380 -8.193 -2.661 1.00 71.01 C ATOM 83 C ASP A 6 7.900 -8.696 -4.004 1.00 21.35 C ATOM 84 O ASP A 6 7.493 -9.755 -4.480 1.00 22.51 O ATOM 85 CB ASP A 6 6.454 -6.994 -2.875 1.00 22.02 C ATOM 86 CG ASP A 6 4.993 -7.349 -2.683 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.376 -7.864 -3.639 1.00 43.34 O ATOM 88 OD2 ASP A 6 4.467 -7.114 -1.575 1.00 45.13 O1- ATOM 0 H ASP A 6 8.432 -6.881 -1.408 1.00 52.44 H new ATOM 0 HA ASP A 6 6.817 -8.996 -2.186 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.726 -6.200 -2.180 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.600 -6.601 -3.881 1.00 22.02 H new ATOM 93 N GLU A 7 8.801 -7.929 -4.609 1.00 34.23 N ATOM 94 CA GLU A 7 9.375 -8.297 -5.898 1.00 34.02 C ATOM 95 C GLU A 7 9.939 -9.715 -5.857 1.00 65.44 C ATOM 96 O GLU A 7 9.847 -10.460 -6.833 1.00 4.31 O ATOM 97 CB GLU A 7 10.475 -7.310 -6.293 1.00 60.23 C ATOM 98 CG GLU A 7 10.237 -6.639 -7.635 1.00 53.31 C ATOM 99 CD GLU A 7 9.994 -5.148 -7.507 1.00 52.50 C ATOM 100 OE1 GLU A 7 8.833 -4.754 -7.270 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 10.965 -4.374 -7.644 1.00 42.03 O ATOM 0 H GLU A 7 9.149 -7.049 -4.228 1.00 34.23 H new ATOM 0 HA GLU A 7 8.581 -8.261 -6.644 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.557 -6.543 -5.523 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.429 -7.836 -6.323 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.099 -6.809 -8.280 1.00 53.31 H new ATOM 0 HG3 GLU A 7 9.379 -7.103 -8.122 1.00 53.31 H new ATOM 108 N VAL A 8 10.524 -10.080 -4.721 1.00 74.30 N ATOM 109 CA VAL A 8 11.103 -11.407 -4.552 1.00 35.34 C ATOM 110 C VAL A 8 10.081 -12.496 -4.860 1.00 41.31 C ATOM 111 O VAL A 8 10.284 -13.317 -5.754 1.00 60.20 O ATOM 112 CB VAL A 8 11.636 -11.609 -3.121 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.255 -12.990 -2.971 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.643 -10.523 -2.770 1.00 74.14 C ATOM 0 H VAL A 8 10.609 -9.475 -3.904 1.00 74.30 H new ATOM 0 HA VAL A 8 11.933 -11.482 -5.255 1.00 35.34 H new ATOM 0 HB VAL A 8 10.799 -11.536 -2.426 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.626 -13.114 -1.954 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.502 -13.751 -3.178 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.081 -13.097 -3.674 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.010 -10.681 -1.756 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.479 -10.563 -3.468 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.163 -9.547 -2.834 1.00 74.14 H new ATOM 124 N PHE A 9 8.982 -12.497 -4.112 1.00 5.40 N ATOM 125 CA PHE A 9 7.928 -13.485 -4.305 1.00 4.42 C ATOM 126 C PHE A 9 7.523 -13.570 -5.774 1.00 14.12 C ATOM 127 O PHE A 9 7.371 -14.659 -6.325 1.00 72.03 O ATOM 128 CB PHE A 9 6.709 -13.136 -3.448 1.00 14.30 C ATOM 129 CG PHE A 9 7.032 -12.958 -1.992 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.518 -14.017 -1.241 1.00 71.40 C ATOM 131 CD2 PHE A 9 6.850 -11.731 -1.373 1.00 64.03 C ATOM 132 CE1 PHE A 9 7.815 -13.855 0.099 1.00 70.23 C ATOM 133 CE2 PHE A 9 7.146 -11.564 -0.033 1.00 45.45 C ATOM 134 CZ PHE A 9 7.630 -12.627 0.703 1.00 3.11 C ATOM 0 H PHE A 9 8.799 -11.825 -3.367 1.00 5.40 H new ATOM 0 HA PHE A 9 8.315 -14.456 -3.996 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.259 -12.219 -3.827 1.00 14.30 H new ATOM 0 HB3 PHE A 9 5.963 -13.924 -3.553 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.666 -14.979 -1.708 1.00 71.40 H new ATOM 0 HD2 PHE A 9 6.473 -10.896 -1.944 1.00 64.03 H new ATOM 0 HE1 PHE A 9 8.192 -14.688 0.673 1.00 70.23 H new ATOM 0 HE2 PHE A 9 6.999 -10.603 0.438 1.00 45.45 H new ATOM 0 HZ PHE A 9 7.864 -12.498 1.750 1.00 3.11 H new ATOM 144 N ALA A 10 7.349 -12.411 -6.401 1.00 54.15 N ATOM 145 CA ALA A 10 6.963 -12.353 -7.805 1.00 71.40 C ATOM 146 C ALA A 10 8.036 -12.971 -8.695 1.00 23.42 C ATOM 147 O ALA A 10 7.729 -13.685 -9.650 1.00 32.34 O ATOM 148 CB ALA A 10 6.696 -10.913 -8.220 1.00 11.12 C ATOM 0 H ALA A 10 7.469 -11.500 -5.959 1.00 54.15 H new ATOM 0 HA ALA A 10 6.047 -12.931 -7.929 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.409 -10.885 -9.271 1.00 11.12 H new ATOM 0 HB2 ALA A 10 5.890 -10.503 -7.612 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.598 -10.319 -8.074 1.00 11.12 H new ATOM 154 N LYS A 11 9.295 -12.693 -8.377 1.00 53.04 N ATOM 155 CA LYS A 11 10.415 -13.222 -9.147 1.00 71.11 C ATOM 156 C LYS A 11 10.432 -14.747 -9.104 1.00 34.23 C ATOM 157 O LYS A 11 10.488 -15.405 -10.142 1.00 35.32 O ATOM 158 CB LYS A 11 11.737 -12.671 -8.608 1.00 75.32 C ATOM 159 CG LYS A 11 12.375 -11.630 -9.511 1.00 51.04 C ATOM 160 CD LYS A 11 12.159 -10.223 -8.981 1.00 31.12 C ATOM 161 CE LYS A 11 11.094 -9.485 -9.776 1.00 2.51 C ATOM 162 NZ LYS A 11 11.631 -8.945 -11.056 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.566 -12.103 -7.590 1.00 53.04 H new ATOM 0 HA LYS A 11 10.293 -12.906 -10.183 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.564 -12.231 -7.626 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.435 -13.496 -8.469 1.00 75.32 H new ATOM 0 HG2 LYS A 11 13.444 -11.827 -9.596 1.00 51.04 H new ATOM 0 HG3 LYS A 11 11.955 -11.710 -10.514 1.00 51.04 H new ATOM 0 HD2 LYS A 11 11.865 -10.269 -7.932 1.00 31.12 H new ATOM 0 HD3 LYS A 11 13.097 -9.669 -9.025 1.00 31.12 H new ATOM 0 HE2 LYS A 11 10.265 -10.160 -9.986 1.00 2.51 H new ATOM 0 HE3 LYS A 11 10.695 -8.667 -9.176 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 10.874 -8.449 -11.568 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 12.406 -8.281 -10.855 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.989 -9.728 -11.640 1.00 32.05 H new ATOM 176 N ILE A 12 10.382 -15.301 -7.897 1.00 21.10 N ATOM 177 CA ILE A 12 10.390 -16.747 -7.720 1.00 64.54 C ATOM 178 C ILE A 12 9.276 -17.406 -8.527 1.00 34.03 C ATOM 179 O ILE A 12 9.518 -18.337 -9.294 1.00 74.53 O ATOM 180 CB ILE A 12 10.232 -17.134 -6.238 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.491 -16.758 -5.453 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.945 -18.623 -6.106 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.425 -17.133 -3.989 1.00 2.33 C ATOM 0 H ILE A 12 10.336 -14.770 -7.027 1.00 21.10 H new ATOM 0 HA ILE A 12 11.356 -17.103 -8.079 1.00 64.54 H new ATOM 0 HB ILE A 12 9.388 -16.583 -5.822 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.352 -17.248 -5.907 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.655 -15.684 -5.537 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.836 -18.881 -5.052 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.023 -18.864 -6.636 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.770 -19.192 -6.535 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.351 -16.837 -3.495 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.584 -16.622 -3.520 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.293 -18.211 -3.895 1.00 2.33 H new ATOM 195 N ALA A 13 8.054 -16.913 -8.350 1.00 52.24 N ATOM 196 CA ALA A 13 6.903 -17.450 -9.064 1.00 63.33 C ATOM 197 C ALA A 13 7.114 -17.385 -10.573 1.00 65.53 C ATOM 198 O ALA A 13 6.954 -18.383 -11.277 1.00 52.01 O ATOM 199 CB ALA A 13 5.640 -16.697 -8.673 1.00 65.33 C ATOM 0 H ALA A 13 7.836 -16.143 -7.718 1.00 52.24 H new ATOM 0 HA ALA A 13 6.789 -18.497 -8.784 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.788 -17.109 -9.214 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.473 -16.799 -7.601 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.753 -15.642 -8.923 1.00 65.33 H new ATOM 205 N LYS A 14 7.473 -16.205 -11.065 1.00 61.31 N ATOM 206 CA LYS A 14 7.706 -16.008 -12.491 1.00 24.13 C ATOM 207 C LYS A 14 8.760 -16.982 -13.009 1.00 74.23 C ATOM 208 O LYS A 14 8.696 -17.430 -14.154 1.00 64.00 O ATOM 209 CB LYS A 14 8.148 -14.569 -12.763 1.00 55.21 C ATOM 210 CG LYS A 14 8.645 -14.343 -14.181 1.00 43.13 C ATOM 211 CD LYS A 14 8.260 -12.964 -14.693 1.00 15.10 C ATOM 212 CE LYS A 14 6.859 -12.960 -15.283 1.00 0.23 C ATOM 213 NZ LYS A 14 6.857 -12.510 -16.703 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.609 -15.369 -10.497 1.00 61.31 H new ATOM 0 HA LYS A 14 6.770 -16.199 -13.017 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.311 -13.898 -12.569 1.00 55.21 H new ATOM 0 HB3 LYS A 14 8.940 -14.302 -12.063 1.00 55.21 H new ATOM 0 HG2 LYS A 14 9.729 -14.453 -14.210 1.00 43.13 H new ATOM 0 HG3 LYS A 14 8.229 -15.106 -14.839 1.00 43.13 H new ATOM 0 HD2 LYS A 14 8.314 -12.243 -13.877 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.976 -12.643 -15.450 1.00 15.10 H new ATOM 0 HE2 LYS A 14 6.435 -13.962 -15.219 1.00 0.23 H new ATOM 0 HE3 LYS A 14 6.218 -12.304 -14.693 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 5.884 -12.521 -17.069 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 7.238 -11.544 -16.762 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 7.448 -13.150 -17.271 1.00 52.31 H new ATOM 227 N ARG A 15 9.729 -17.305 -12.158 1.00 24.20 N ATOM 228 CA ARG A 15 10.796 -18.226 -12.530 1.00 2.23 C ATOM 229 C ARG A 15 10.260 -19.646 -12.685 1.00 74.55 C ATOM 230 O ARG A 15 10.719 -20.404 -13.541 1.00 13.42 O ATOM 231 CB ARG A 15 11.909 -18.201 -11.480 1.00 52.33 C ATOM 232 CG ARG A 15 13.289 -17.942 -12.061 1.00 60.13 C ATOM 233 CD ARG A 15 13.642 -18.962 -13.133 1.00 64.22 C ATOM 234 NE ARG A 15 13.778 -18.346 -14.451 1.00 31.41 N ATOM 235 CZ ARG A 15 14.287 -18.972 -15.506 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.707 -20.225 -15.398 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 14.378 -18.345 -16.671 1.00 54.20 N ATOM 0 H ARG A 15 9.797 -16.943 -11.207 1.00 24.20 H new ATOM 0 HA ARG A 15 11.202 -17.903 -13.489 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.684 -17.430 -10.743 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.920 -19.154 -10.951 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.324 -16.939 -12.486 1.00 60.13 H new ATOM 0 HG3 ARG A 15 14.033 -17.977 -11.265 1.00 60.13 H new ATOM 0 HD2 ARG A 15 14.575 -19.459 -12.867 1.00 64.22 H new ATOM 0 HD3 ARG A 15 12.870 -19.731 -13.170 1.00 64.22 H new ATOM 0 HE ARG A 15 13.465 -17.382 -14.567 1.00 31.41 H new ATOM 0 HH11 ARG A 15 14.640 -20.710 -14.503 1.00 71.10 H new ATOM 0 HH12 ARG A 15 15.098 -20.704 -16.210 1.00 71.10 H new ATOM 0 HH21 ARG A 15 14.057 -17.381 -16.758 1.00 54.20 H new ATOM 0 HH22 ARG A 15 14.769 -18.827 -17.480 1.00 54.20 H new ATOM 251 N LEU A 16 9.288 -20.000 -11.852 1.00 62.42 N ATOM 252 CA LEU A 16 8.689 -21.330 -11.896 1.00 42.54 C ATOM 253 C LEU A 16 8.037 -21.588 -13.250 1.00 3.14 C ATOM 254 O LEU A 16 8.017 -22.720 -13.734 1.00 45.05 O ATOM 255 CB LEU A 16 7.653 -21.481 -10.781 1.00 71.15 C ATOM 256 CG LEU A 16 8.185 -21.370 -9.351 1.00 53.24 C ATOM 257 CD1 LEU A 16 7.038 -21.218 -8.365 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.033 -22.585 -9.002 1.00 22.33 C ATOM 0 H LEU A 16 8.898 -19.385 -11.138 1.00 62.42 H new ATOM 0 HA LEU A 16 9.481 -22.064 -11.749 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.884 -20.721 -10.921 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.167 -22.450 -10.892 1.00 71.15 H new ATOM 0 HG LEU A 16 8.813 -20.482 -9.285 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.436 -21.141 -7.353 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.471 -20.318 -8.602 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.383 -22.087 -8.432 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.403 -22.489 -7.981 1.00 22.33 H new ATOM 0 HD22 LEU A 16 8.427 -23.487 -9.085 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.877 -22.650 -9.689 1.00 22.33 H new ATOM 270 N GLU A 17 7.506 -20.531 -13.858 1.00 24.21 N ATOM 271 CA GLU A 17 6.854 -20.645 -15.157 1.00 73.03 C ATOM 272 C GLU A 17 7.861 -21.020 -16.240 1.00 53.54 C ATOM 273 O GLU A 17 7.485 -21.445 -17.332 1.00 53.11 O ATOM 274 CB GLU A 17 6.162 -19.330 -15.522 1.00 62.44 C ATOM 275 CG GLU A 17 5.276 -18.782 -14.416 1.00 32.22 C ATOM 276 CD GLU A 17 4.720 -17.409 -14.741 1.00 55.30 C ATOM 277 OE1 GLU A 17 5.089 -16.853 -15.796 1.00 71.21 O1- ATOM 278 OE2 GLU A 17 3.915 -16.890 -13.939 1.00 64.43 O ATOM 0 H GLU A 17 7.515 -19.587 -13.472 1.00 24.21 H new ATOM 0 HA GLU A 17 6.106 -21.435 -15.091 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.920 -18.587 -15.771 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.559 -19.483 -16.417 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.451 -19.472 -14.241 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.848 -18.728 -13.490 1.00 32.22 H new ATOM 285 N SER A 18 9.144 -20.858 -15.929 1.00 60.23 N ATOM 286 CA SER A 18 10.206 -21.175 -16.876 1.00 50.12 C ATOM 287 C SER A 18 10.390 -22.684 -17.002 1.00 44.52 C ATOM 288 O SER A 18 10.420 -23.227 -18.106 1.00 12.43 O ATOM 289 CB SER A 18 11.519 -20.524 -16.438 1.00 53.43 C ATOM 290 OG SER A 18 12.210 -19.974 -17.547 1.00 62.03 O ATOM 0 H SER A 18 9.472 -20.509 -15.029 1.00 60.23 H new ATOM 0 HA SER A 18 9.920 -20.780 -17.851 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.315 -19.741 -15.708 1.00 53.43 H new ATOM 0 HB3 SER A 18 12.148 -21.264 -15.944 1.00 53.43 H new ATOM 0 HG SER A 18 13.089 -20.400 -17.629 1.00 62.03 H new ATOM 296 N ILE A 19 10.513 -23.356 -15.861 1.00 61.30 N ATOM 297 CA ILE A 19 10.693 -24.802 -15.843 1.00 41.24 C ATOM 298 C ILE A 19 9.686 -25.493 -16.755 1.00 31.14 C ATOM 299 O ILE A 19 8.507 -25.611 -16.419 1.00 72.51 O ATOM 300 CB ILE A 19 10.551 -25.368 -14.418 1.00 11.12 C ATOM 301 CG1 ILE A 19 11.652 -24.812 -13.512 1.00 33.03 C ATOM 302 CG2 ILE A 19 10.599 -26.889 -14.445 1.00 52.32 C ATOM 303 CD1 ILE A 19 11.129 -23.946 -12.387 1.00 70.51 C ATOM 0 H ILE A 19 10.491 -22.922 -14.938 1.00 61.30 H new ATOM 0 HA ILE A 19 11.702 -24.999 -16.205 1.00 41.24 H new ATOM 0 HB ILE A 19 9.586 -25.061 -14.016 1.00 11.12 H new ATOM 0 HG12 ILE A 19 12.216 -25.643 -13.088 1.00 33.03 H new ATOM 0 HG13 ILE A 19 12.348 -24.229 -14.115 1.00 33.03 H new ATOM 0 HG21 ILE A 19 10.497 -27.274 -13.430 1.00 52.32 H new ATOM 0 HG22 ILE A 19 9.783 -27.268 -15.060 1.00 52.32 H new ATOM 0 HG23 ILE A 19 11.551 -27.216 -14.863 1.00 52.32 H new ATOM 0 HD11 ILE A 19 11.964 -23.587 -11.786 1.00 70.51 H new ATOM 0 HD12 ILE A 19 10.589 -23.095 -12.803 1.00 70.51 H new ATOM 0 HD13 ILE A 19 10.456 -24.531 -11.760 1.00 70.51 H new ATOM 315 N ASP A 20 10.158 -25.950 -17.910 1.00 31.11 N ATOM 316 CA ASP A 20 9.299 -26.633 -18.870 1.00 60.31 C ATOM 317 C ASP A 20 8.783 -27.949 -18.298 1.00 52.22 C ATOM 318 O ASP A 20 9.474 -28.644 -17.552 1.00 2.52 O ATOM 319 CB ASP A 20 10.060 -26.892 -20.172 1.00 72.22 C ATOM 320 CG ASP A 20 9.451 -26.162 -21.353 1.00 72.21 C ATOM 321 OD1 ASP A 20 9.564 -24.920 -21.405 1.00 1.44 O ATOM 322 OD2 ASP A 20 8.862 -26.834 -22.226 1.00 54.13 O1- ATOM 0 H ASP A 20 11.131 -25.860 -18.204 1.00 31.11 H new ATOM 0 HA ASP A 20 8.445 -25.989 -19.079 1.00 60.31 H new ATOM 0 HB2 ASP A 20 11.097 -26.580 -20.051 1.00 72.22 H new ATOM 0 HB3 ASP A 20 10.071 -27.963 -20.376 1.00 72.22 H new ATOM 327 N PRO A 21 7.538 -28.301 -18.652 1.00 3.01 N ATOM 328 CA PRO A 21 6.901 -29.536 -18.184 1.00 51.32 C ATOM 329 C PRO A 21 7.532 -30.782 -18.796 1.00 31.01 C ATOM 330 O PRO A 21 7.322 -31.895 -18.316 1.00 73.52 O ATOM 331 CB PRO A 21 5.451 -29.386 -18.653 1.00 40.32 C ATOM 332 CG PRO A 21 5.524 -28.468 -19.824 1.00 41.15 C ATOM 333 CD PRO A 21 6.657 -27.521 -19.538 1.00 41.12 C ATOM 0 HA PRO A 21 7.005 -29.665 -17.107 1.00 51.32 H new ATOM 0 HB2 PRO A 21 5.023 -30.349 -18.931 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.821 -28.973 -17.865 1.00 40.32 H new ATOM 0 HG2 PRO A 21 5.703 -29.023 -20.745 1.00 41.15 H new ATOM 0 HG3 PRO A 21 4.587 -27.927 -19.955 1.00 41.15 H new ATOM 0 HD2 PRO A 21 7.170 -27.221 -20.452 1.00 41.12 H new ATOM 0 HD3 PRO A 21 6.306 -26.609 -19.055 1.00 41.12 H new ATOM 341 N ALA A 22 8.308 -30.586 -19.857 1.00 74.25 N ATOM 342 CA ALA A 22 8.972 -31.694 -20.532 1.00 71.25 C ATOM 343 C ALA A 22 10.219 -32.132 -19.772 1.00 24.44 C ATOM 344 O ALA A 22 10.894 -33.084 -20.163 1.00 64.13 O ATOM 345 CB ALA A 22 9.331 -31.305 -21.958 1.00 74.40 C ATOM 0 H ALA A 22 8.492 -29.671 -20.267 1.00 74.25 H new ATOM 0 HA ALA A 22 8.281 -32.536 -20.560 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.826 -32.142 -22.450 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.424 -31.048 -22.505 1.00 74.40 H new ATOM 0 HB3 ALA A 22 10.001 -30.445 -21.943 1.00 74.40 H new ATOM 351 N ASN A 23 10.520 -31.431 -18.683 1.00 31.42 N ATOM 352 CA ASN A 23 11.687 -31.748 -17.868 1.00 33.21 C ATOM 353 C ASN A 23 11.648 -30.990 -16.544 1.00 71.22 C ATOM 354 O ASN A 23 11.911 -29.789 -16.497 1.00 21.44 O ATOM 355 CB ASN A 23 12.972 -31.407 -18.626 1.00 24.34 C ATOM 356 CG ASN A 23 14.202 -32.013 -17.980 1.00 24.24 C ATOM 357 OD1 ASN A 23 14.759 -32.992 -18.477 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.633 -31.432 -16.866 1.00 44.13 N ATOM 0 H ASN A 23 9.972 -30.640 -18.345 1.00 31.42 H new ATOM 0 HA ASN A 23 11.671 -32.817 -17.655 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.891 -31.764 -19.653 1.00 24.34 H new ATOM 0 HB3 ASN A 23 13.086 -30.324 -18.674 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.457 -31.796 -16.387 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.140 -30.622 -16.490 1.00 44.13 H new ATOM 365 N ARG A 24 11.318 -31.701 -15.471 1.00 31.34 N ATOM 366 CA ARG A 24 11.244 -31.097 -14.147 1.00 3.31 C ATOM 367 C ARG A 24 12.391 -31.580 -13.264 1.00 41.40 C ATOM 368 O ARG A 24 13.106 -32.517 -13.617 1.00 60.52 O ATOM 369 CB ARG A 24 9.904 -31.426 -13.487 1.00 43.24 C ATOM 370 CG ARG A 24 8.702 -31.134 -14.370 1.00 73.04 C ATOM 371 CD ARG A 24 8.374 -29.649 -14.392 1.00 15.52 C ATOM 372 NE ARG A 24 8.282 -29.089 -13.046 1.00 53.32 N ATOM 373 CZ ARG A 24 7.184 -29.145 -12.300 1.00 20.53 C ATOM 374 NH1 ARG A 24 6.091 -29.733 -12.766 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 7.179 -28.612 -11.085 1.00 32.13 N ATOM 0 H ARG A 24 11.098 -32.697 -15.493 1.00 31.34 H new ATOM 0 HA ARG A 24 11.328 -30.016 -14.263 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.894 -32.480 -13.211 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.813 -30.854 -12.564 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.902 -31.478 -15.385 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.839 -31.693 -14.008 1.00 73.04 H new ATOM 0 HD2 ARG A 24 9.141 -29.117 -14.955 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.430 -29.494 -14.915 1.00 15.52 H new ATOM 0 HE ARG A 24 9.106 -28.630 -12.658 1.00 53.32 H new ATOM 0 HH11 ARG A 24 6.092 -30.144 -13.700 1.00 42.41 H new ATOM 0 HH12 ARG A 24 5.250 -29.774 -12.191 1.00 42.41 H new ATOM 0 HH21 ARG A 24 8.018 -28.159 -10.723 1.00 32.13 H new ATOM 0 HH22 ARG A 24 6.336 -28.655 -10.513 1.00 32.13 H new ATOM 389 N GLN A 25 12.558 -30.933 -12.114 1.00 23.44 N ATOM 390 CA GLN A 25 13.618 -31.297 -11.182 1.00 3.41 C ATOM 391 C GLN A 25 13.036 -31.817 -9.871 1.00 43.32 C ATOM 392 O GLN A 25 12.994 -33.024 -9.635 1.00 3.03 O ATOM 393 CB GLN A 25 14.522 -30.093 -10.910 1.00 73.40 C ATOM 394 CG GLN A 25 15.705 -29.994 -11.860 1.00 65.05 C ATOM 395 CD GLN A 25 16.572 -31.238 -11.844 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.758 -31.866 -10.801 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.109 -31.600 -13.003 1.00 12.31 N ATOM 0 H GLN A 25 11.974 -30.156 -11.807 1.00 23.44 H new ATOM 0 HA GLN A 25 14.210 -32.092 -11.636 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.930 -29.181 -10.984 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.892 -30.151 -9.886 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.340 -29.823 -12.873 1.00 65.05 H new ATOM 0 HG3 GLN A 25 16.312 -29.129 -11.590 1.00 65.05 H new ATOM 0 HE21 GLN A 25 16.928 -31.050 -13.843 1.00 12.31 H new ATOM 0 HE22 GLN A 25 17.702 -32.428 -13.054 1.00 12.31 H new ATOM 406 N VAL A 26 12.589 -30.897 -9.022 1.00 53.35 N ATOM 407 CA VAL A 26 12.008 -31.262 -7.736 1.00 53.24 C ATOM 408 C VAL A 26 10.981 -30.231 -7.284 1.00 23.30 C ATOM 409 O VAL A 26 11.323 -29.085 -6.994 1.00 23.40 O ATOM 410 CB VAL A 26 13.092 -31.401 -6.650 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.462 -31.734 -5.306 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.112 -32.457 -7.047 1.00 61.33 C ATOM 0 H VAL A 26 12.618 -29.893 -9.202 1.00 53.35 H new ATOM 0 HA VAL A 26 11.515 -32.225 -7.873 1.00 53.24 H new ATOM 0 HB VAL A 26 13.610 -30.447 -6.554 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.243 -31.828 -4.551 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.775 -30.938 -5.019 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.916 -32.674 -5.383 1.00 24.22 H new ATOM 0 HG21 VAL A 26 14.870 -32.542 -6.268 1.00 61.33 H new ATOM 0 HG22 VAL A 26 13.612 -33.417 -7.172 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.586 -32.170 -7.985 1.00 61.33 H new ATOM 422 N GLU A 27 9.719 -30.647 -7.226 1.00 51.22 N ATOM 423 CA GLU A 27 8.641 -29.758 -6.809 1.00 53.14 C ATOM 424 C GLU A 27 7.962 -30.281 -5.546 1.00 20.43 C ATOM 425 O GLU A 27 7.674 -31.472 -5.431 1.00 21.25 O ATOM 426 CB GLU A 27 7.611 -29.609 -7.931 1.00 64.43 C ATOM 427 CG GLU A 27 7.503 -30.833 -8.824 1.00 1.54 C ATOM 428 CD GLU A 27 7.043 -32.067 -8.071 1.00 23.31 C ATOM 429 OE1 GLU A 27 5.823 -32.195 -7.833 1.00 13.03 O ATOM 430 OE2 GLU A 27 7.901 -32.903 -7.720 1.00 0.53 O1- ATOM 0 H GLU A 27 9.419 -31.593 -7.462 1.00 51.22 H new ATOM 0 HA GLU A 27 9.073 -28.782 -6.590 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.635 -29.403 -7.492 1.00 64.43 H new ATOM 0 HB3 GLU A 27 7.874 -28.746 -8.542 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.805 -30.626 -9.635 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.473 -31.031 -9.281 1.00 1.54 H new ATOM 437 N HIS A 28 7.711 -29.381 -4.601 1.00 1.34 N ATOM 438 CA HIS A 28 7.066 -29.750 -3.346 1.00 23.23 C ATOM 439 C HIS A 28 6.514 -28.518 -2.636 1.00 12.45 C ATOM 440 O HIS A 28 6.655 -27.394 -3.119 1.00 2.54 O ATOM 441 CB HIS A 28 8.056 -30.477 -2.435 1.00 64.15 C ATOM 442 CG HIS A 28 8.041 -31.966 -2.602 1.00 70.02 C ATOM 443 ND1 HIS A 28 6.980 -32.756 -2.216 1.00 64.13 N ATOM 444 CD2 HIS A 28 8.967 -32.807 -3.120 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.253 -34.020 -2.487 1.00 15.35 C ATOM 446 NE2 HIS A 28 8.453 -34.078 -3.036 1.00 63.45 N ATOM 0 H HIS A 28 7.944 -28.391 -4.680 1.00 1.34 H new ATOM 0 HA HIS A 28 6.236 -30.418 -3.575 1.00 23.23 H new ATOM 0 HB2 HIS A 28 9.061 -30.107 -2.636 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.828 -30.234 -1.397 1.00 64.15 H new ATOM 0 HD2 HIS A 28 9.930 -32.530 -3.524 1.00 51.55 H new ATOM 0 HE1 HIS A 28 6.605 -34.862 -2.293 1.00 15.35 H new ATOM 0 HE2 HIS A 28 8.922 -34.929 -3.347 1.00 63.45 H new ATOM 454 N VAL A 29 5.883 -28.736 -1.486 1.00 54.23 N ATOM 455 CA VAL A 29 5.310 -27.644 -0.709 1.00 31.14 C ATOM 456 C VAL A 29 6.345 -27.036 0.231 1.00 41.44 C ATOM 457 O VAL A 29 6.916 -27.728 1.074 1.00 25.11 O ATOM 458 CB VAL A 29 4.098 -28.117 0.116 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.515 -26.964 0.918 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.045 -28.734 -0.792 1.00 5.11 C ATOM 0 H VAL A 29 5.756 -29.660 -1.072 1.00 54.23 H new ATOM 0 HA VAL A 29 4.982 -26.887 -1.421 1.00 31.14 H new ATOM 0 HB VAL A 29 4.433 -28.881 0.817 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.660 -27.317 1.494 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.273 -26.573 1.596 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.194 -26.174 0.239 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.196 -29.063 -0.193 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.712 -27.993 -1.518 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.472 -29.589 -1.316 1.00 5.11 H new ATOM 470 N TYR A 30 6.580 -25.737 0.082 1.00 54.15 N ATOM 471 CA TYR A 30 7.548 -25.035 0.917 1.00 42.42 C ATOM 472 C TYR A 30 6.868 -23.945 1.740 1.00 53.31 C ATOM 473 O TYR A 30 5.751 -23.526 1.436 1.00 71.04 O ATOM 474 CB TYR A 30 8.651 -24.423 0.051 1.00 40.44 C ATOM 475 CG TYR A 30 9.311 -25.415 -0.880 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.639 -26.693 -0.445 1.00 23.33 C ATOM 477 CD2 TYR A 30 9.606 -25.074 -2.194 1.00 63.54 C ATOM 478 CE1 TYR A 30 10.243 -27.602 -1.292 1.00 42.43 C ATOM 479 CE2 TYR A 30 10.208 -25.977 -3.048 1.00 50.54 C ATOM 480 CZ TYR A 30 10.525 -27.240 -2.593 1.00 32.12 C ATOM 481 OH TYR A 30 11.126 -28.142 -3.440 1.00 33.15 O ATOM 0 H TYR A 30 6.114 -25.149 -0.609 1.00 54.15 H new ATOM 0 HA TYR A 30 7.992 -25.758 1.601 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.229 -23.609 -0.539 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.410 -23.986 0.700 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.418 -26.981 0.572 1.00 23.33 H new ATOM 0 HD2 TYR A 30 9.360 -24.086 -2.554 1.00 63.54 H new ATOM 0 HE1 TYR A 30 10.493 -28.591 -0.937 1.00 42.43 H new ATOM 0 HE2 TYR A 30 10.429 -25.696 -4.067 1.00 50.54 H new ATOM 0 HH TYR A 30 11.254 -27.730 -4.320 1.00 33.15 H new ATOM 491 N LYS A 31 7.551 -23.490 2.785 1.00 21.53 N ATOM 492 CA LYS A 31 7.017 -22.447 3.653 1.00 33.30 C ATOM 493 C LYS A 31 7.982 -21.270 3.746 1.00 72.40 C ATOM 494 O LYS A 31 9.190 -21.455 3.897 1.00 42.23 O ATOM 495 CB LYS A 31 6.744 -23.009 5.050 1.00 30.01 C ATOM 496 CG LYS A 31 5.798 -22.154 5.875 1.00 12.24 C ATOM 497 CD LYS A 31 5.186 -22.944 7.019 1.00 72.33 C ATOM 498 CE LYS A 31 5.974 -22.763 8.307 1.00 1.42 C ATOM 499 NZ LYS A 31 5.779 -23.905 9.243 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.476 -23.827 3.051 1.00 21.53 H new ATOM 0 HA LYS A 31 6.081 -22.093 3.221 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.325 -24.011 4.954 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.689 -23.109 5.584 1.00 30.01 H new ATOM 0 HG2 LYS A 31 6.337 -21.294 6.273 1.00 12.24 H new ATOM 0 HG3 LYS A 31 5.006 -21.766 5.235 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.156 -22.623 7.174 1.00 72.33 H new ATOM 0 HD3 LYS A 31 5.155 -24.001 6.756 1.00 72.33 H new ATOM 0 HE2 LYS A 31 7.034 -22.662 8.073 1.00 1.42 H new ATOM 0 HE3 LYS A 31 5.666 -21.838 8.794 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 6.333 -23.743 10.108 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.771 -23.986 9.487 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 6.097 -24.785 8.788 1.00 74.42 H new ATOM 513 N PHE A 32 7.441 -20.059 3.658 1.00 21.34 N ATOM 514 CA PHE A 32 8.255 -18.851 3.733 1.00 31.43 C ATOM 515 C PHE A 32 7.722 -17.903 4.804 1.00 73.13 C ATOM 516 O PHE A 32 6.572 -17.468 4.746 1.00 30.25 O ATOM 517 CB PHE A 32 8.282 -18.144 2.377 1.00 2.44 C ATOM 518 CG PHE A 32 9.647 -18.096 1.753 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.758 -17.762 2.511 1.00 34.32 C ATOM 520 CD2 PHE A 32 9.820 -18.386 0.409 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.016 -17.717 1.939 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.075 -18.343 -0.168 1.00 15.23 C ATOM 523 CZ PHE A 32 12.175 -18.009 0.598 1.00 34.24 C ATOM 0 H PHE A 32 6.443 -19.888 3.535 1.00 21.34 H new ATOM 0 HA PHE A 32 9.270 -19.142 4.003 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.598 -18.653 1.697 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.911 -17.126 2.499 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.640 -17.534 3.560 1.00 34.32 H new ATOM 0 HD2 PHE A 32 8.964 -18.649 -0.195 1.00 25.20 H new ATOM 0 HE1 PHE A 32 12.874 -17.454 2.540 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.196 -18.570 -1.217 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.157 -17.976 0.150 1.00 34.24 H new ATOM 533 N ARG A 33 8.568 -17.587 5.779 1.00 2.52 N ATOM 534 CA ARG A 33 8.182 -16.691 6.864 1.00 14.43 C ATOM 535 C ARG A 33 8.908 -15.354 6.749 1.00 75.14 C ATOM 536 O ARG A 33 10.127 -15.311 6.577 1.00 61.42 O ATOM 537 CB ARG A 33 8.488 -17.335 8.217 1.00 2.14 C ATOM 538 CG ARG A 33 7.258 -17.885 8.922 1.00 20.25 C ATOM 539 CD ARG A 33 7.422 -19.359 9.258 1.00 10.22 C ATOM 540 NE ARG A 33 6.633 -19.745 10.425 1.00 11.44 N ATOM 541 CZ ARG A 33 6.981 -19.460 11.675 1.00 10.32 C ATOM 542 NH1 ARG A 33 8.099 -18.789 11.918 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 6.211 -19.845 12.684 1.00 25.32 N ATOM 0 H ARG A 33 9.524 -17.937 5.840 1.00 2.52 H new ATOM 0 HA ARG A 33 7.110 -16.510 6.789 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.205 -18.143 8.071 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.966 -16.597 8.861 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.078 -17.320 9.837 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.382 -17.751 8.287 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.121 -19.962 8.401 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.474 -19.573 9.445 1.00 10.22 H new ATOM 0 HE ARG A 33 5.767 -20.262 10.272 1.00 11.44 H new ATOM 0 HH11 ARG A 33 8.693 -18.491 11.144 1.00 23.32 H new ATOM 0 HH12 ARG A 33 8.365 -18.571 12.878 1.00 23.32 H new ATOM 0 HH21 ARG A 33 5.350 -20.361 12.501 1.00 25.32 H new ATOM 0 HH22 ARG A 33 6.480 -19.625 13.643 1.00 25.32 H new ATOM 557 N ILE A 34 8.152 -14.266 6.844 1.00 62.22 N ATOM 558 CA ILE A 34 8.723 -12.928 6.751 1.00 24.14 C ATOM 559 C ILE A 34 8.735 -12.240 8.112 1.00 22.22 C ATOM 560 O ILE A 34 7.772 -11.571 8.490 1.00 15.22 O ATOM 561 CB ILE A 34 7.946 -12.052 5.751 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.898 -12.726 4.378 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.581 -10.674 5.649 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.244 -13.226 3.904 1.00 0.34 C ATOM 0 H ILE A 34 7.142 -14.285 6.985 1.00 62.22 H new ATOM 0 HA ILE A 34 9.747 -13.046 6.397 1.00 24.14 H new ATOM 0 HB ILE A 34 6.924 -11.934 6.112 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.202 -13.564 4.417 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.505 -12.018 3.648 1.00 40.21 H new ATOM 0 HG21 ILE A 34 8.020 -10.067 4.938 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.567 -10.194 6.627 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.612 -10.773 5.308 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.135 -13.692 2.925 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.938 -12.389 3.832 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.631 -13.958 4.613 1.00 0.34 H new ATOM 576 N THR A 35 9.832 -12.406 8.844 1.00 73.35 N ATOM 577 CA THR A 35 9.970 -11.801 10.162 1.00 10.14 C ATOM 578 C THR A 35 10.578 -10.406 10.066 1.00 21.43 C ATOM 579 O THR A 35 11.525 -10.184 9.312 1.00 61.13 O ATOM 580 CB THR A 35 10.844 -12.666 11.089 1.00 42.42 C ATOM 581 OG1 THR A 35 12.026 -13.085 10.398 1.00 61.24 O ATOM 582 CG2 THR A 35 10.075 -13.886 11.574 1.00 21.42 C ATOM 0 H THR A 35 10.638 -12.955 8.546 1.00 73.35 H new ATOM 0 HA THR A 35 8.967 -11.730 10.583 1.00 10.14 H new ATOM 0 HB THR A 35 11.123 -12.064 11.954 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.577 -13.633 10.995 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.712 -14.482 12.227 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.191 -13.564 12.125 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.769 -14.488 10.718 1.00 21.42 H new ATOM 590 N GLN A 36 10.029 -9.471 10.834 1.00 63.41 N ATOM 591 CA GLN A 36 10.519 -8.098 10.834 1.00 14.20 C ATOM 592 C GLN A 36 11.281 -7.792 12.119 1.00 45.14 C ATOM 593 O GLN A 36 10.683 -7.477 13.148 1.00 5.11 O ATOM 594 CB GLN A 36 9.354 -7.119 10.673 1.00 55.11 C ATOM 595 CG GLN A 36 8.210 -7.369 11.641 1.00 62.44 C ATOM 596 CD GLN A 36 7.866 -6.145 12.467 1.00 40.34 C ATOM 597 OE1 GLN A 36 7.151 -5.254 12.008 1.00 43.51 O ATOM 598 NE2 GLN A 36 8.373 -6.096 13.693 1.00 20.34 N ATOM 0 H GLN A 36 9.245 -9.639 11.464 1.00 63.41 H new ATOM 0 HA GLN A 36 11.201 -7.982 9.992 1.00 14.20 H new ATOM 0 HB2 GLN A 36 9.722 -6.103 10.814 1.00 55.11 H new ATOM 0 HB3 GLN A 36 8.976 -7.182 9.653 1.00 55.11 H new ATOM 0 HG2 GLN A 36 7.329 -7.685 11.082 1.00 62.44 H new ATOM 0 HG3 GLN A 36 8.476 -8.189 12.308 1.00 62.44 H new ATOM 0 HE21 GLN A 36 8.961 -6.857 14.033 1.00 20.34 H new ATOM 0 HE22 GLN A 36 8.175 -5.297 14.295 1.00 20.34 H new ATOM 607 N GLY A 37 12.606 -7.888 12.053 1.00 64.45 N ATOM 608 CA GLY A 37 13.428 -7.619 13.218 1.00 34.24 C ATOM 609 C GLY A 37 13.719 -8.870 14.024 1.00 24.32 C ATOM 610 O GLY A 37 14.870 -9.148 14.358 1.00 10.20 O ATOM 0 H GLY A 37 13.124 -8.147 11.214 1.00 64.45 H new ATOM 0 HA2 GLY A 37 14.368 -7.169 12.899 1.00 34.24 H new ATOM 0 HA3 GLY A 37 12.925 -6.890 13.853 1.00 34.24 H new ATOM 614 N GLY A 38 12.672 -9.626 14.339 1.00 74.12 N ATOM 615 CA GLY A 38 12.841 -10.844 15.110 1.00 13.31 C ATOM 616 C GLY A 38 11.555 -11.636 15.234 1.00 0.22 C ATOM 617 O GLY A 38 11.580 -12.845 15.465 1.00 3.34 O ATOM 0 H GLY A 38 11.709 -9.417 14.074 1.00 74.12 H new ATOM 0 HA2 GLY A 38 13.603 -11.465 14.639 1.00 13.31 H new ATOM 0 HA3 GLY A 38 13.206 -10.592 16.106 1.00 13.31 H new ATOM 621 N LYS A 39 10.425 -10.953 15.082 1.00 34.44 N ATOM 622 CA LYS A 39 9.121 -11.599 15.179 1.00 44.41 C ATOM 623 C LYS A 39 8.457 -11.692 13.809 1.00 41.22 C ATOM 624 O LYS A 39 8.630 -10.814 12.963 1.00 21.13 O ATOM 625 CB LYS A 39 8.218 -10.828 16.144 1.00 12.35 C ATOM 626 CG LYS A 39 7.851 -11.612 17.392 1.00 61.01 C ATOM 627 CD LYS A 39 6.686 -10.974 18.129 1.00 62.52 C ATOM 628 CE LYS A 39 6.536 -11.542 19.532 1.00 2.21 C ATOM 629 NZ LYS A 39 6.945 -10.560 20.575 1.00 31.32 N1+ ATOM 0 H LYS A 39 10.386 -9.952 14.891 1.00 34.44 H new ATOM 0 HA LYS A 39 9.271 -12.609 15.560 1.00 44.41 H new ATOM 0 HB2 LYS A 39 8.719 -9.906 16.439 1.00 12.35 H new ATOM 0 HB3 LYS A 39 7.304 -10.542 15.623 1.00 12.35 H new ATOM 0 HG2 LYS A 39 7.593 -12.635 17.117 1.00 61.01 H new ATOM 0 HG3 LYS A 39 8.715 -11.668 18.054 1.00 61.01 H new ATOM 0 HD2 LYS A 39 6.837 -9.896 18.186 1.00 62.52 H new ATOM 0 HD3 LYS A 39 5.766 -11.138 17.569 1.00 62.52 H new ATOM 0 HE2 LYS A 39 5.499 -11.835 19.696 1.00 2.21 H new ATOM 0 HE3 LYS A 39 7.141 -12.444 19.625 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 6.828 -10.985 21.517 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 7.942 -10.299 20.434 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 6.351 -9.709 20.503 1.00 31.32 H new ATOM 643 N VAL A 40 7.696 -12.761 13.597 1.00 13.33 N ATOM 644 CA VAL A 40 7.004 -12.967 12.330 1.00 41.44 C ATOM 645 C VAL A 40 5.994 -11.855 12.068 1.00 63.31 C ATOM 646 O VAL A 40 5.421 -11.289 13.000 1.00 63.13 O ATOM 647 CB VAL A 40 6.275 -14.324 12.303 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.642 -14.563 10.941 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.234 -15.450 12.659 1.00 51.40 C ATOM 0 H VAL A 40 7.543 -13.497 14.286 1.00 13.33 H new ATOM 0 HA VAL A 40 7.764 -12.955 11.549 1.00 41.44 H new ATOM 0 HB VAL A 40 5.480 -14.305 13.048 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.132 -15.526 10.941 1.00 55.31 H new ATOM 0 HG12 VAL A 40 4.923 -13.771 10.730 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.417 -14.563 10.175 1.00 55.31 H new ATOM 0 HG21 VAL A 40 6.703 -16.402 12.635 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.052 -15.473 11.939 1.00 51.40 H new ATOM 0 HG23 VAL A 40 7.636 -15.284 13.659 1.00 51.40 H new ATOM 659 N VAL A 41 5.778 -11.547 10.793 1.00 34.35 N ATOM 660 CA VAL A 41 4.835 -10.504 10.408 1.00 44.34 C ATOM 661 C VAL A 41 3.795 -11.037 9.430 1.00 12.15 C ATOM 662 O VAL A 41 2.737 -10.437 9.242 1.00 4.11 O ATOM 663 CB VAL A 41 5.558 -9.303 9.768 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.756 -9.532 8.277 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.782 -8.019 10.020 1.00 22.42 C ATOM 0 H VAL A 41 6.243 -12.005 10.009 1.00 34.35 H new ATOM 0 HA VAL A 41 4.336 -10.175 11.320 1.00 44.34 H new ATOM 0 HB VAL A 41 6.540 -9.204 10.230 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.268 -8.674 7.842 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.356 -10.429 8.123 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.786 -9.658 7.796 1.00 40.14 H new ATOM 0 HG21 VAL A 41 5.307 -7.181 9.561 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.786 -8.105 9.586 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.697 -7.850 11.093 1.00 22.42 H new ATOM 675 N LYS A 42 4.103 -12.170 8.807 1.00 42.43 N ATOM 676 CA LYS A 42 3.194 -12.788 7.848 1.00 33.55 C ATOM 677 C LYS A 42 3.730 -14.138 7.383 1.00 43.41 C ATOM 678 O LYS A 42 4.901 -14.456 7.590 1.00 1.03 O ATOM 679 CB LYS A 42 2.988 -11.867 6.644 1.00 52.12 C ATOM 680 CG LYS A 42 1.752 -12.201 5.827 1.00 64.32 C ATOM 681 CD LYS A 42 1.034 -10.946 5.362 1.00 52.31 C ATOM 682 CE LYS A 42 0.188 -10.343 6.473 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.954 -9.553 5.934 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.975 -12.679 8.949 1.00 42.43 H new ATOM 0 HA LYS A 42 2.236 -12.948 8.343 1.00 33.55 H new ATOM 0 HB2 LYS A 42 2.915 -10.837 6.993 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.865 -11.924 6.000 1.00 52.12 H new ATOM 0 HG2 LYS A 42 2.038 -12.799 4.962 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.073 -12.809 6.425 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.765 -10.213 5.021 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.399 -11.184 4.508 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.191 -11.139 7.113 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.811 -9.702 7.097 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.506 -9.159 6.722 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.592 -8.778 5.343 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.563 -10.170 5.360 1.00 13.02 H new ATOM 697 N ASN A 43 2.867 -14.927 6.752 1.00 34.54 N ATOM 698 CA ASN A 43 3.254 -16.243 6.257 1.00 55.25 C ATOM 699 C ASN A 43 3.240 -16.275 4.731 1.00 40.53 C ATOM 700 O ASN A 43 2.519 -15.511 4.091 1.00 31.40 O ATOM 701 CB ASN A 43 2.315 -17.316 6.809 1.00 53.41 C ATOM 702 CG ASN A 43 0.896 -16.810 6.981 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.093 -16.850 6.049 1.00 24.42 O ATOM 704 ND2 ASN A 43 0.580 -16.329 8.178 1.00 72.11 N ATOM 0 H ASN A 43 1.895 -14.678 6.571 1.00 34.54 H new ATOM 0 HA ASN A 43 4.269 -16.448 6.599 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.313 -18.174 6.136 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.692 -17.665 7.770 1.00 53.41 H new ATOM 0 HD21 ASN A 43 -0.360 -15.974 8.353 1.00 72.11 H new ATOM 0 HD22 ASN A 43 1.277 -16.315 8.922 1.00 72.11 H new ATOM 711 N TRP A 44 4.042 -17.165 4.157 1.00 22.12 N ATOM 712 CA TRP A 44 4.121 -17.298 2.707 1.00 23.21 C ATOM 713 C TRP A 44 4.211 -18.764 2.298 1.00 15.33 C ATOM 714 O TRP A 44 4.864 -19.566 2.967 1.00 44.21 O ATOM 715 CB TRP A 44 5.330 -16.531 2.169 1.00 45.14 C ATOM 716 CG TRP A 44 4.957 -15.332 1.351 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.780 -15.286 -0.002 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.718 -14.005 1.834 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.445 -14.011 -0.389 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.399 -13.207 0.719 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.739 -13.415 3.101 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.106 -11.850 0.834 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.448 -12.069 3.213 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.135 -11.299 2.085 1.00 1.02 C ATOM 0 H TRP A 44 4.646 -17.805 4.673 1.00 22.12 H new ATOM 0 HA TRP A 44 3.212 -16.876 2.279 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.951 -16.212 3.006 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.936 -17.203 1.561 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.888 -16.128 -0.670 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.260 -13.712 -1.346 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.978 -14.001 3.976 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.865 -11.254 -0.034 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.462 -11.602 4.187 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.912 -10.249 2.206 1.00 1.02 H new ATOM 735 N VAL A 45 3.552 -19.109 1.197 1.00 5.25 N ATOM 736 CA VAL A 45 3.559 -20.479 0.699 1.00 60.54 C ATOM 737 C VAL A 45 4.055 -20.538 -0.741 1.00 5.42 C ATOM 738 O VAL A 45 3.749 -19.662 -1.550 1.00 33.13 O ATOM 739 CB VAL A 45 2.157 -21.111 0.774 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.092 -22.369 -0.078 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.786 -21.415 2.217 1.00 33.43 C ATOM 0 H VAL A 45 3.006 -18.458 0.632 1.00 5.25 H new ATOM 0 HA VAL A 45 4.238 -21.044 1.337 1.00 60.54 H new ATOM 0 HB VAL A 45 1.434 -20.397 0.380 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.094 -22.802 -0.012 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.311 -22.117 -1.116 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.825 -23.091 0.283 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.792 -21.861 2.251 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.511 -22.111 2.640 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.789 -20.491 2.796 1.00 33.43 H new ATOM 751 N MET A 46 4.823 -21.576 -1.055 1.00 62.23 N ATOM 752 CA MET A 46 5.360 -21.750 -2.400 1.00 35.14 C ATOM 753 C MET A 46 4.541 -22.770 -3.185 1.00 72.04 C ATOM 754 O MET A 46 4.705 -23.978 -3.012 1.00 51.41 O ATOM 755 CB MET A 46 6.822 -22.195 -2.334 1.00 33.01 C ATOM 756 CG MET A 46 7.728 -21.450 -3.301 1.00 43.13 C ATOM 757 SD MET A 46 8.539 -20.031 -2.539 1.00 65.24 S ATOM 758 CE MET A 46 10.170 -20.700 -2.227 1.00 25.52 C ATOM 0 H MET A 46 5.087 -22.309 -0.397 1.00 62.23 H new ATOM 0 HA MET A 46 5.302 -20.791 -2.914 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.192 -22.051 -1.319 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.878 -23.263 -2.546 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.485 -22.134 -3.684 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.142 -21.113 -4.156 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.285 -20.897 -1.161 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.295 -21.629 -2.783 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.925 -19.982 -2.546 1.00 25.52 H new ATOM 768 N ASP A 47 3.660 -22.276 -4.048 1.00 71.12 N ATOM 769 CA ASP A 47 2.815 -23.144 -4.860 1.00 32.40 C ATOM 770 C ASP A 47 3.590 -23.692 -6.055 1.00 53.15 C ATOM 771 O ASP A 47 3.468 -23.187 -7.172 1.00 2.25 O ATOM 772 CB ASP A 47 1.580 -22.383 -5.343 1.00 13.44 C ATOM 773 CG ASP A 47 0.290 -22.978 -4.812 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.303 -23.512 -3.684 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.733 -22.910 -5.526 1.00 72.40 O ATOM 0 H ASP A 47 3.512 -21.279 -4.203 1.00 71.12 H new ATOM 0 HA ASP A 47 2.496 -23.982 -4.241 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.653 -21.342 -5.030 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.557 -22.387 -6.433 1.00 13.44 H new ATOM 780 N LEU A 48 4.387 -24.727 -5.812 1.00 3.45 N ATOM 781 CA LEU A 48 5.183 -25.343 -6.868 1.00 34.13 C ATOM 782 C LEU A 48 4.304 -26.172 -7.799 1.00 74.54 C ATOM 783 O LEU A 48 4.734 -26.576 -8.880 1.00 65.54 O ATOM 784 CB LEU A 48 6.276 -26.224 -6.261 1.00 41.41 C ATOM 785 CG LEU A 48 7.549 -25.504 -5.815 1.00 71.10 C ATOM 786 CD1 LEU A 48 8.514 -25.353 -6.980 1.00 72.14 C ATOM 787 CD2 LEU A 48 7.211 -24.144 -5.221 1.00 24.33 C ATOM 0 H LEU A 48 4.499 -25.157 -4.894 1.00 3.45 H new ATOM 0 HA LEU A 48 5.648 -24.547 -7.450 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.858 -26.746 -5.400 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.550 -26.984 -6.993 1.00 41.41 H new ATOM 0 HG LEU A 48 8.033 -26.106 -5.045 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.414 -24.838 -6.643 1.00 72.14 H new ATOM 0 HD12 LEU A 48 8.781 -26.339 -7.361 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.040 -24.774 -7.772 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.128 -23.645 -4.909 1.00 24.33 H new ATOM 0 HD22 LEU A 48 6.704 -23.536 -5.970 1.00 24.33 H new ATOM 0 HD23 LEU A 48 6.558 -24.276 -4.358 1.00 24.33 H new ATOM 799 N LYS A 49 3.070 -26.420 -7.374 1.00 53.41 N ATOM 800 CA LYS A 49 2.128 -27.198 -8.170 1.00 44.45 C ATOM 801 C LYS A 49 1.460 -26.325 -9.228 1.00 13.33 C ATOM 802 O LYS A 49 1.458 -26.661 -10.411 1.00 1.23 O ATOM 803 CB LYS A 49 1.065 -27.828 -7.267 1.00 43.22 C ATOM 804 CG LYS A 49 1.317 -29.294 -6.963 1.00 30.32 C ATOM 805 CD LYS A 49 0.248 -29.865 -6.045 1.00 53.45 C ATOM 806 CE LYS A 49 0.093 -31.366 -6.237 1.00 64.21 C ATOM 807 NZ LYS A 49 -0.327 -32.045 -4.979 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.699 -26.093 -6.482 1.00 53.41 H new ATOM 0 HA LYS A 49 2.683 -27.989 -8.674 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.022 -27.273 -6.330 1.00 43.22 H new ATOM 0 HB3 LYS A 49 0.090 -27.727 -7.743 1.00 43.22 H new ATOM 0 HG2 LYS A 49 1.339 -29.861 -7.894 1.00 30.32 H new ATOM 0 HG3 LYS A 49 2.296 -29.407 -6.497 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.507 -29.655 -5.007 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -0.704 -29.372 -6.242 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -0.644 -31.558 -7.017 1.00 64.21 H new ATOM 0 HE3 LYS A 49 1.038 -31.788 -6.580 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -0.422 -33.066 -5.151 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 0.388 -31.883 -4.242 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.241 -31.660 -4.665 1.00 62.40 H new ATOM 821 N ASN A 50 0.896 -25.203 -8.793 1.00 2.35 N ATOM 822 CA ASN A 50 0.225 -24.282 -9.704 1.00 41.40 C ATOM 823 C ASN A 50 1.219 -23.292 -10.304 1.00 40.41 C ATOM 824 O ASN A 50 0.872 -22.507 -11.187 1.00 2.41 O ATOM 825 CB ASN A 50 -0.886 -23.527 -8.972 1.00 14.33 C ATOM 826 CG ASN A 50 -2.126 -24.376 -8.771 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.212 -25.498 -9.270 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.096 -23.842 -8.037 1.00 4.23 N ATOM 0 H ASN A 50 0.890 -24.910 -7.816 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.214 -24.865 -10.514 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.517 -23.193 -8.002 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -1.149 -22.633 -9.538 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -3.955 -24.366 -7.868 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -2.982 -22.908 -7.643 1.00 4.23 H new ATOM 835 N VAL A 51 2.456 -23.336 -9.820 1.00 64.11 N ATOM 836 CA VAL A 51 3.500 -22.444 -10.309 1.00 54.52 C ATOM 837 C VAL A 51 3.242 -21.005 -9.877 1.00 42.10 C ATOM 838 O VAL A 51 3.301 -20.081 -10.689 1.00 10.33 O ATOM 839 CB VAL A 51 3.608 -22.496 -11.845 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.908 -21.858 -12.311 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.503 -23.931 -12.338 1.00 50.43 C ATOM 0 H VAL A 51 2.760 -23.980 -9.090 1.00 64.11 H new ATOM 0 HA VAL A 51 4.439 -22.787 -9.874 1.00 54.52 H new ATOM 0 HB VAL A 51 2.780 -21.928 -12.269 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.967 -21.904 -13.398 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.938 -20.817 -11.990 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.752 -22.395 -11.879 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.581 -23.949 -13.425 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.309 -24.524 -11.906 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.543 -24.350 -12.036 1.00 50.43 H new ATOM 851 N LYS A 52 2.954 -20.821 -8.593 1.00 54.43 N ATOM 852 CA LYS A 52 2.688 -19.495 -8.050 1.00 32.42 C ATOM 853 C LYS A 52 3.159 -19.394 -6.603 1.00 50.21 C ATOM 854 O LYS A 52 3.516 -20.398 -5.985 1.00 11.15 O ATOM 855 CB LYS A 52 1.193 -19.178 -8.134 1.00 21.22 C ATOM 856 CG LYS A 52 0.873 -17.985 -9.018 1.00 10.13 C ATOM 857 CD LYS A 52 -0.171 -17.083 -8.381 1.00 32.21 C ATOM 858 CE LYS A 52 -1.097 -16.477 -9.425 1.00 73.31 C ATOM 859 NZ LYS A 52 -2.431 -16.142 -8.856 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.899 -21.575 -7.908 1.00 54.43 H new ATOM 0 HA LYS A 52 3.242 -18.769 -8.645 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.665 -20.053 -8.514 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.813 -18.988 -7.130 1.00 21.22 H new ATOM 0 HG2 LYS A 52 1.783 -17.415 -9.204 1.00 10.13 H new ATOM 0 HG3 LYS A 52 0.512 -18.334 -9.985 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -0.757 -17.655 -7.662 1.00 32.21 H new ATOM 0 HD3 LYS A 52 0.325 -16.286 -7.827 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -0.641 -15.576 -9.836 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -1.220 -17.177 -10.251 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -3.032 -15.732 -9.599 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -2.878 -17.006 -8.487 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -2.316 -15.454 -8.084 1.00 35.03 H new ATOM 873 N LEU A 53 3.156 -18.178 -6.068 1.00 61.23 N ATOM 874 CA LEU A 53 3.582 -17.947 -4.692 1.00 12.34 C ATOM 875 C LEU A 53 2.543 -17.129 -3.931 1.00 64.35 C ATOM 876 O LEU A 53 2.480 -15.907 -4.064 1.00 64.45 O ATOM 877 CB LEU A 53 4.931 -17.227 -4.669 1.00 22.14 C ATOM 878 CG LEU A 53 6.143 -18.083 -4.298 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.547 -18.970 -5.465 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.306 -17.202 -3.868 1.00 42.33 C ATOM 0 H LEU A 53 2.863 -17.337 -6.566 1.00 61.23 H new ATOM 0 HA LEU A 53 3.686 -18.915 -4.202 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.105 -16.793 -5.654 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.866 -16.399 -3.963 1.00 22.14 H new ATOM 0 HG LEU A 53 5.869 -18.723 -3.460 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.411 -19.572 -5.183 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.717 -19.627 -5.727 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.803 -18.348 -6.323 1.00 71.22 H new ATOM 0 HD21 LEU A 53 8.160 -17.828 -3.608 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.580 -16.536 -4.686 1.00 42.33 H new ATOM 0 HD23 LEU A 53 7.013 -16.610 -3.001 1.00 42.33 H new ATOM 892 N VAL A 54 1.732 -17.812 -3.130 1.00 5.45 N ATOM 893 CA VAL A 54 0.698 -17.149 -2.344 1.00 41.23 C ATOM 894 C VAL A 54 1.147 -16.950 -0.901 1.00 45.12 C ATOM 895 O VAL A 54 2.218 -17.409 -0.506 1.00 72.40 O ATOM 896 CB VAL A 54 -0.617 -17.952 -2.354 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.948 -18.416 -3.765 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.525 -19.135 -1.403 1.00 11.01 C ATOM 0 H VAL A 54 1.771 -18.824 -3.008 1.00 5.45 H new ATOM 0 HA VAL A 54 0.525 -16.177 -2.805 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.423 -17.302 -2.012 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.880 -18.981 -3.753 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.058 -17.549 -4.417 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.144 -19.050 -4.138 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.462 -19.691 -1.422 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.291 -19.788 -1.712 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.338 -18.775 -0.391 1.00 11.01 H new ATOM 908 N GLU A 55 0.321 -16.263 -0.118 1.00 21.23 N ATOM 909 CA GLU A 55 0.634 -16.004 1.282 1.00 34.21 C ATOM 910 C GLU A 55 -0.231 -16.861 2.201 1.00 31.12 C ATOM 911 O GLU A 55 -1.441 -16.658 2.299 1.00 24.40 O ATOM 912 CB GLU A 55 0.431 -14.522 1.607 1.00 60.31 C ATOM 913 CG GLU A 55 -0.866 -13.951 1.057 1.00 21.34 C ATOM 914 CD GLU A 55 -0.735 -13.487 -0.381 1.00 40.15 C ATOM 915 OE1 GLU A 55 -0.218 -12.372 -0.600 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -1.150 -14.240 -1.287 1.00 15.53 O ATOM 0 H GLU A 55 -0.570 -15.876 -0.430 1.00 21.23 H new ATOM 0 HA GLU A 55 1.679 -16.265 1.448 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.446 -14.390 2.689 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.269 -13.952 1.205 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.648 -14.708 1.121 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.182 -13.113 1.678 1.00 21.34 H new ATOM 923 N SER A 56 0.399 -17.820 2.872 1.00 73.41 N ATOM 924 CA SER A 56 -0.313 -18.711 3.781 1.00 43.24 C ATOM 925 C SER A 56 0.665 -19.496 4.649 1.00 1.33 C ATOM 926 O SER A 56 1.866 -19.528 4.378 1.00 11.10 O ATOM 927 CB SER A 56 -1.199 -19.677 2.991 1.00 44.34 C ATOM 928 OG SER A 56 -2.544 -19.229 2.964 1.00 12.25 O ATOM 0 H SER A 56 1.401 -18.000 2.803 1.00 73.41 H new ATOM 0 HA SER A 56 -0.940 -18.101 4.431 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.823 -19.770 1.972 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.152 -20.669 3.440 1.00 44.34 H new ATOM 0 HG SER A 56 -2.567 -18.278 2.728 1.00 12.25 H new ATOM 934 N ASP A 57 0.143 -20.128 5.695 1.00 31.32 N ATOM 935 CA ASP A 57 0.968 -20.914 6.604 1.00 71.22 C ATOM 936 C ASP A 57 0.399 -22.318 6.779 1.00 51.13 C ATOM 937 O ASP A 57 -0.723 -22.489 7.257 1.00 50.20 O ATOM 938 CB ASP A 57 1.072 -20.219 7.963 1.00 63.23 C ATOM 939 CG ASP A 57 1.217 -21.204 9.106 1.00 3.54 C ATOM 940 OD1 ASP A 57 2.306 -21.801 9.241 1.00 34.13 O ATOM 941 OD2 ASP A 57 0.243 -21.377 9.868 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.848 -20.111 5.934 1.00 31.32 H new ATOM 0 HA ASP A 57 1.964 -20.997 6.170 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.928 -19.544 7.958 1.00 63.23 H new ATOM 0 HB3 ASP A 57 0.184 -19.608 8.124 1.00 63.23 H new ATOM 946 N ASP A 58 1.178 -23.320 6.387 1.00 42.15 N ATOM 947 CA ASP A 58 0.751 -24.710 6.500 1.00 13.22 C ATOM 948 C ASP A 58 1.946 -25.627 6.745 1.00 50.02 C ATOM 949 O ASP A 58 3.092 -25.244 6.515 1.00 32.03 O ATOM 950 CB ASP A 58 0.011 -25.143 5.234 1.00 32.33 C ATOM 951 CG ASP A 58 -0.743 -24.000 4.584 1.00 34.24 C ATOM 952 OD1 ASP A 58 -0.147 -23.302 3.737 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 -1.928 -23.802 4.923 1.00 62.33 O ATOM 0 H ASP A 58 2.109 -23.196 5.988 1.00 42.15 H new ATOM 0 HA ASP A 58 0.075 -24.789 7.351 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.726 -25.554 4.522 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.688 -25.942 5.481 1.00 32.33 H new ATOM 958 N ALA A 59 1.668 -26.839 7.214 1.00 54.42 N ATOM 959 CA ALA A 59 2.719 -27.811 7.490 1.00 64.04 C ATOM 960 C ALA A 59 3.380 -28.285 6.200 1.00 23.53 C ATOM 961 O ALA A 59 2.933 -29.250 5.580 1.00 64.14 O ATOM 962 CB ALA A 59 2.155 -28.994 8.262 1.00 20.01 C ATOM 0 H ALA A 59 0.724 -27.171 7.411 1.00 54.42 H new ATOM 0 HA ALA A 59 3.480 -27.323 8.100 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.951 -29.712 8.461 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.736 -28.646 9.206 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.373 -29.474 7.673 1.00 20.01 H new ATOM 968 N ALA A 60 4.447 -27.600 5.800 1.00 25.42 N ATOM 969 CA ALA A 60 5.170 -27.953 4.585 1.00 52.24 C ATOM 970 C ALA A 60 6.338 -28.883 4.891 1.00 52.10 C ATOM 971 O ALA A 60 6.847 -28.906 6.011 1.00 32.51 O ATOM 972 CB ALA A 60 5.663 -26.697 3.881 1.00 60.25 C ATOM 0 H ALA A 60 4.829 -26.797 6.300 1.00 25.42 H new ATOM 0 HA ALA A 60 4.483 -28.482 3.924 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.201 -26.975 2.975 1.00 60.25 H new ATOM 0 HB2 ALA A 60 4.812 -26.069 3.619 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.330 -26.146 4.544 1.00 60.25 H new ATOM 978 N GLU A 61 6.758 -29.649 3.889 1.00 12.15 N ATOM 979 CA GLU A 61 7.866 -30.582 4.054 1.00 60.24 C ATOM 980 C GLU A 61 9.163 -29.838 4.362 1.00 60.45 C ATOM 981 O GLU A 61 10.098 -30.407 4.924 1.00 34.32 O ATOM 982 CB GLU A 61 8.040 -31.430 2.792 1.00 40.01 C ATOM 983 CG GLU A 61 8.051 -32.925 3.061 1.00 60.43 C ATOM 984 CD GLU A 61 9.427 -33.440 3.439 1.00 63.55 C ATOM 985 OE1 GLU A 61 10.298 -33.514 2.548 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 9.631 -33.768 4.626 1.00 10.35 O ATOM 0 H GLU A 61 6.348 -29.642 2.955 1.00 12.15 H new ATOM 0 HA GLU A 61 7.634 -31.236 4.894 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.233 -31.200 2.096 1.00 40.01 H new ATOM 0 HB3 GLU A 61 8.973 -31.150 2.302 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.349 -33.151 3.864 1.00 60.43 H new ATOM 0 HG3 GLU A 61 7.701 -33.453 2.174 1.00 60.43 H new ATOM 993 N ALA A 62 9.210 -28.563 3.989 1.00 4.02 N ATOM 994 CA ALA A 62 10.389 -27.741 4.227 1.00 60.23 C ATOM 995 C ALA A 62 9.998 -26.332 4.661 1.00 52.32 C ATOM 996 O ALA A 62 9.253 -25.641 3.966 1.00 12.21 O ATOM 997 CB ALA A 62 11.256 -27.689 2.977 1.00 14.02 C ATOM 0 H ALA A 62 8.445 -28.078 3.521 1.00 4.02 H new ATOM 0 HA ALA A 62 10.962 -28.196 5.035 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.134 -27.072 3.168 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.573 -28.698 2.712 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.683 -27.260 2.155 1.00 14.02 H new ATOM 1003 N THR A 63 10.505 -25.912 5.816 1.00 64.23 N ATOM 1004 CA THR A 63 10.208 -24.587 6.344 1.00 11.41 C ATOM 1005 C THR A 63 11.388 -23.641 6.152 1.00 73.24 C ATOM 1006 O THR A 63 12.517 -23.957 6.527 1.00 53.04 O ATOM 1007 CB THR A 63 9.849 -24.646 7.841 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.675 -25.443 8.032 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.616 -23.249 8.397 1.00 45.10 C ATOM 0 H THR A 63 11.124 -26.471 6.404 1.00 64.23 H new ATOM 0 HA THR A 63 9.350 -24.210 5.787 1.00 11.41 H new ATOM 0 HB THR A 63 10.685 -25.098 8.375 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.454 -25.477 8.986 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.364 -23.316 9.455 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.521 -22.654 8.277 1.00 45.10 H new ATOM 0 HG23 THR A 63 8.796 -22.775 7.858 1.00 45.10 H new ATOM 1017 N LEU A 64 11.119 -22.479 5.567 1.00 31.21 N ATOM 1018 CA LEU A 64 12.160 -21.485 5.327 1.00 23.22 C ATOM 1019 C LEU A 64 11.795 -20.149 5.966 1.00 10.31 C ATOM 1020 O LEU A 64 10.829 -19.499 5.565 1.00 34.35 O ATOM 1021 CB LEU A 64 12.379 -21.301 3.824 1.00 42.20 C ATOM 1022 CG LEU A 64 13.243 -22.360 3.138 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.427 -23.133 2.114 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.454 -21.715 2.479 1.00 33.52 C ATOM 0 H LEU A 64 10.190 -22.202 5.250 1.00 31.21 H new ATOM 0 HA LEU A 64 13.083 -21.844 5.782 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.405 -21.282 3.335 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.837 -20.325 3.660 1.00 42.20 H new ATOM 0 HG LEU A 64 13.595 -23.060 3.896 1.00 33.54 H new ATOM 0 HD11 LEU A 64 13.058 -23.882 1.636 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.592 -23.626 2.612 1.00 24.14 H new ATOM 0 HD13 LEU A 64 12.045 -22.446 1.359 1.00 24.14 H new ATOM 0 HD21 LEU A 64 15.058 -22.483 1.996 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.121 -20.993 1.734 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.052 -21.206 3.235 1.00 33.52 H new ATOM 1036 N THR A 65 12.576 -19.742 6.962 1.00 71.33 N ATOM 1037 CA THR A 65 12.336 -18.484 7.656 1.00 73.12 C ATOM 1038 C THR A 65 13.419 -17.461 7.331 1.00 14.11 C ATOM 1039 O THR A 65 14.611 -17.751 7.434 1.00 44.01 O ATOM 1040 CB THR A 65 12.279 -18.686 9.182 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.954 -20.047 9.485 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.249 -17.761 9.813 1.00 42.34 C ATOM 0 H THR A 65 13.381 -20.266 7.306 1.00 71.33 H new ATOM 0 HA THR A 65 11.372 -18.111 7.310 1.00 73.12 H new ATOM 0 HB THR A 65 13.259 -18.447 9.594 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.767 -20.593 9.451 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.227 -17.922 10.891 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.516 -16.725 9.606 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.265 -17.973 9.394 1.00 42.34 H new ATOM 1050 N MET A 66 12.997 -16.264 6.937 1.00 44.23 N ATOM 1051 CA MET A 66 13.933 -15.198 6.598 1.00 35.33 C ATOM 1052 C MET A 66 13.280 -13.829 6.764 1.00 74.32 C ATOM 1053 O MET A 66 12.088 -13.665 6.506 1.00 1.23 O ATOM 1054 CB MET A 66 14.433 -15.367 5.163 1.00 73.33 C ATOM 1055 CG MET A 66 15.558 -16.380 5.026 1.00 31.14 C ATOM 1056 SD MET A 66 15.022 -17.911 4.240 1.00 74.11 S ATOM 1057 CE MET A 66 16.518 -18.889 4.347 1.00 64.32 C ATOM 0 H MET A 66 12.014 -16.008 6.845 1.00 44.23 H new ATOM 0 HA MET A 66 14.781 -15.262 7.280 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.600 -15.674 4.531 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.777 -14.402 4.791 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.368 -15.941 4.443 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.961 -16.605 6.013 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.885 -19.104 3.343 1.00 64.32 H new ATOM 0 HE2 MET A 66 17.276 -18.334 4.900 1.00 64.32 H new ATOM 0 HE3 MET A 66 16.305 -19.825 4.863 1.00 64.32 H new ATOM 1067 N GLU A 67 14.069 -12.850 7.196 1.00 74.44 N ATOM 1068 CA GLU A 67 13.566 -11.497 7.396 1.00 65.21 C ATOM 1069 C GLU A 67 13.449 -10.757 6.067 1.00 21.25 C ATOM 1070 O GLU A 67 14.093 -11.122 5.083 1.00 71.54 O ATOM 1071 CB GLU A 67 14.485 -10.722 8.344 1.00 61.44 C ATOM 1072 CG GLU A 67 14.442 -11.223 9.777 1.00 20.41 C ATOM 1073 CD GLU A 67 15.428 -10.503 10.677 1.00 50.14 C ATOM 1074 OE1 GLU A 67 15.616 -9.282 10.492 1.00 70.53 O ATOM 1075 OE2 GLU A 67 16.011 -11.159 11.565 1.00 14.41 O1- ATOM 0 H GLU A 67 15.058 -12.969 7.414 1.00 74.44 H new ATOM 0 HA GLU A 67 12.573 -11.569 7.841 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.509 -10.785 7.976 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.205 -9.669 8.328 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.434 -11.095 10.173 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.657 -12.292 9.791 1.00 20.41 H new ATOM 1082 N ASP A 68 12.622 -9.717 6.046 1.00 21.12 N ATOM 1083 CA ASP A 68 12.420 -8.926 4.838 1.00 71.10 C ATOM 1084 C ASP A 68 13.756 -8.512 4.229 1.00 24.42 C ATOM 1085 O ASP A 68 14.005 -8.734 3.044 1.00 74.24 O ATOM 1086 CB ASP A 68 11.582 -7.685 5.150 1.00 64.02 C ATOM 1087 CG ASP A 68 10.383 -7.550 4.232 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.776 -8.588 3.891 1.00 12.13 O ATOM 1089 OD2 ASP A 68 10.051 -6.407 3.854 1.00 75.34 O1- ATOM 0 H ASP A 68 12.081 -9.403 6.852 1.00 21.12 H new ATOM 0 HA ASP A 68 11.887 -9.543 4.115 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.241 -7.731 6.184 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.207 -6.796 5.060 1.00 64.02 H new ATOM 1094 N ASP A 69 14.612 -7.909 5.047 1.00 45.41 N ATOM 1095 CA ASP A 69 15.923 -7.464 4.590 1.00 14.54 C ATOM 1096 C ASP A 69 16.650 -8.584 3.853 1.00 22.43 C ATOM 1097 O ASP A 69 17.381 -8.336 2.893 1.00 53.21 O ATOM 1098 CB ASP A 69 16.764 -6.985 5.774 1.00 1.15 C ATOM 1099 CG ASP A 69 17.437 -5.653 5.505 1.00 54.42 C ATOM 1100 OD1 ASP A 69 16.744 -4.616 5.565 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 18.656 -5.648 5.233 1.00 74.02 O ATOM 0 H ASP A 69 14.421 -7.717 6.030 1.00 45.41 H new ATOM 0 HA ASP A 69 15.777 -6.634 3.899 1.00 14.54 H new ATOM 0 HB2 ASP A 69 16.128 -6.896 6.655 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.523 -7.733 6.003 1.00 1.15 H new ATOM 1106 N ILE A 70 16.446 -9.815 4.309 1.00 1.14 N ATOM 1107 CA ILE A 70 17.083 -10.973 3.693 1.00 43.35 C ATOM 1108 C ILE A 70 16.292 -11.455 2.482 1.00 31.44 C ATOM 1109 O ILE A 70 16.843 -12.084 1.579 1.00 24.31 O ATOM 1110 CB ILE A 70 17.228 -12.135 4.693 1.00 13.31 C ATOM 1111 CG1 ILE A 70 18.366 -11.852 5.676 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.471 -13.442 3.955 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.729 -11.797 5.022 1.00 73.31 C ATOM 0 H ILE A 70 15.845 -10.037 5.103 1.00 1.14 H new ATOM 0 HA ILE A 70 18.075 -10.654 3.373 1.00 43.35 H new ATOM 0 HB ILE A 70 16.300 -12.227 5.257 1.00 13.31 H new ATOM 0 HG12 ILE A 70 18.174 -10.904 6.178 1.00 2.20 H new ATOM 0 HG13 ILE A 70 18.372 -12.624 6.445 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.571 -14.254 4.676 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.630 -13.647 3.292 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.386 -13.363 3.367 1.00 11.14 H new ATOM 0 HD11 ILE A 70 20.487 -11.593 5.778 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.942 -12.753 4.544 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.741 -11.006 4.273 1.00 73.31 H new ATOM 1125 N MET A 71 14.998 -11.155 2.469 1.00 71.51 N ATOM 1126 CA MET A 71 14.131 -11.555 1.367 1.00 43.30 C ATOM 1127 C MET A 71 14.648 -11.005 0.041 1.00 65.43 C ATOM 1128 O MET A 71 14.825 -11.748 -0.924 1.00 75.00 O ATOM 1129 CB MET A 71 12.701 -11.069 1.611 1.00 72.31 C ATOM 1130 CG MET A 71 11.693 -12.197 1.755 1.00 1.33 C ATOM 1131 SD MET A 71 11.022 -12.736 0.171 1.00 74.13 S ATOM 1132 CE MET A 71 11.184 -14.514 0.322 1.00 31.24 C ATOM 0 H MET A 71 14.526 -10.636 3.210 1.00 71.51 H new ATOM 0 HA MET A 71 14.132 -12.644 1.314 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.682 -10.459 2.514 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.399 -10.426 0.785 1.00 72.31 H new ATOM 0 HG2 MET A 71 12.169 -13.043 2.250 1.00 1.33 H new ATOM 0 HG3 MET A 71 10.876 -11.869 2.398 1.00 1.33 H new ATOM 0 HE1 MET A 71 10.810 -14.992 -0.583 1.00 31.24 H new ATOM 0 HE2 MET A 71 12.233 -14.773 0.462 1.00 31.24 H new ATOM 0 HE3 MET A 71 10.608 -14.860 1.180 1.00 31.24 H new ATOM 1142 N PHE A 72 14.888 -9.698 0.001 1.00 41.54 N ATOM 1143 CA PHE A 72 15.384 -9.048 -1.206 1.00 22.30 C ATOM 1144 C PHE A 72 16.856 -9.377 -1.436 1.00 43.01 C ATOM 1145 O PHE A 72 17.326 -9.407 -2.573 1.00 63.32 O ATOM 1146 CB PHE A 72 15.197 -7.533 -1.109 1.00 44.00 C ATOM 1147 CG PHE A 72 16.230 -6.855 -0.254 1.00 52.50 C ATOM 1148 CD1 PHE A 72 17.528 -6.692 -0.712 1.00 61.23 C ATOM 1149 CD2 PHE A 72 15.903 -6.381 1.006 1.00 2.12 C ATOM 1150 CE1 PHE A 72 18.480 -6.070 0.073 1.00 44.43 C ATOM 1151 CE2 PHE A 72 16.851 -5.757 1.795 1.00 51.42 C ATOM 1152 CZ PHE A 72 18.141 -5.601 1.327 1.00 61.11 C ATOM 0 H PHE A 72 14.747 -9.069 0.791 1.00 41.54 H new ATOM 0 HA PHE A 72 14.810 -9.424 -2.053 1.00 22.30 H new ATOM 0 HB2 PHE A 72 15.229 -7.106 -2.111 1.00 44.00 H new ATOM 0 HB3 PHE A 72 14.207 -7.322 -0.705 1.00 44.00 H new ATOM 0 HD1 PHE A 72 17.798 -7.055 -1.693 1.00 61.23 H new ATOM 0 HD2 PHE A 72 14.895 -6.500 1.376 1.00 2.12 H new ATOM 0 HE1 PHE A 72 19.489 -5.951 -0.294 1.00 44.43 H new ATOM 0 HE2 PHE A 72 16.583 -5.392 2.776 1.00 51.42 H new ATOM 0 HZ PHE A 72 18.884 -5.113 1.941 1.00 61.11 H new ATOM 1162 N ALA A 73 17.578 -9.622 -0.347 1.00 72.11 N ATOM 1163 CA ALA A 73 18.996 -9.949 -0.429 1.00 15.10 C ATOM 1164 C ALA A 73 19.209 -11.307 -1.089 1.00 3.03 C ATOM 1165 O ALA A 73 19.867 -11.408 -2.125 1.00 20.54 O ATOM 1166 CB ALA A 73 19.623 -9.931 0.958 1.00 40.23 C ATOM 0 H ALA A 73 17.204 -9.600 0.602 1.00 72.11 H new ATOM 0 HA ALA A 73 19.482 -9.194 -1.046 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.682 -10.177 0.882 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.511 -8.939 1.395 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.125 -10.665 1.592 1.00 40.23 H new ATOM 1172 N ILE A 74 18.649 -12.349 -0.483 1.00 62.02 N ATOM 1173 CA ILE A 74 18.777 -13.701 -1.013 1.00 2.11 C ATOM 1174 C ILE A 74 17.966 -13.868 -2.293 1.00 5.14 C ATOM 1175 O ILE A 74 18.433 -14.463 -3.264 1.00 43.34 O ATOM 1176 CB ILE A 74 18.319 -14.754 0.013 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.284 -14.794 1.200 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.220 -16.123 -0.642 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.866 -15.761 2.286 1.00 30.22 C ATOM 0 H ILE A 74 18.102 -12.283 0.376 1.00 62.02 H new ATOM 0 HA ILE A 74 19.834 -13.855 -1.232 1.00 2.11 H new ATOM 0 HB ILE A 74 17.331 -14.476 0.381 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.276 -15.069 0.842 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.365 -13.794 1.626 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.895 -16.857 0.096 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.498 -16.085 -1.458 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.196 -16.410 -1.034 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.596 -15.737 3.095 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.887 -15.475 2.671 1.00 30.22 H new ATOM 0 HD13 ILE A 74 18.813 -16.769 1.875 1.00 30.22 H new ATOM 1191 N GLY A 75 16.747 -13.337 -2.289 1.00 3.13 N ATOM 1192 CA GLY A 75 15.890 -13.437 -3.456 1.00 32.31 C ATOM 1193 C GLY A 75 16.571 -12.950 -4.719 1.00 1.25 C ATOM 1194 O GLY A 75 16.391 -13.526 -5.793 1.00 54.01 O ATOM 0 H GLY A 75 16.338 -12.839 -1.498 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.583 -14.474 -3.589 1.00 32.31 H new ATOM 0 HA3 GLY A 75 14.984 -12.855 -3.288 1.00 32.31 H new ATOM 1198 N THR A 76 17.356 -11.885 -4.593 1.00 53.52 N ATOM 1199 CA THR A 76 18.065 -11.318 -5.734 1.00 44.22 C ATOM 1200 C THR A 76 19.477 -11.883 -5.839 1.00 51.23 C ATOM 1201 O THR A 76 20.244 -11.502 -6.723 1.00 5.23 O ATOM 1202 CB THR A 76 18.144 -9.783 -5.640 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.005 -9.401 -4.562 1.00 43.24 O ATOM 1204 CG2 THR A 76 16.762 -9.182 -5.429 1.00 74.33 C ATOM 0 H THR A 76 17.517 -11.397 -3.712 1.00 53.52 H new ATOM 0 HA THR A 76 17.500 -11.591 -6.625 1.00 44.22 H new ATOM 0 HB THR A 76 18.549 -9.404 -6.579 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.486 -9.346 -3.732 1.00 43.24 H new ATOM 0 HG21 THR A 76 16.843 -8.097 -5.366 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.117 -9.450 -6.266 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.335 -9.569 -4.504 1.00 74.33 H new ATOM 1212 N GLY A 77 19.814 -12.795 -4.933 1.00 1.41 N ATOM 1213 CA GLY A 77 21.134 -13.397 -4.942 1.00 40.44 C ATOM 1214 C GLY A 77 22.233 -12.391 -4.663 1.00 21.42 C ATOM 1215 O GLY A 77 23.362 -12.550 -5.126 1.00 72.34 O ATOM 0 H GLY A 77 19.196 -13.128 -4.193 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.173 -14.190 -4.195 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.310 -13.863 -5.911 1.00 40.44 H new ATOM 1219 N ALA A 78 21.902 -11.352 -3.903 1.00 14.03 N ATOM 1220 CA ALA A 78 22.870 -10.316 -3.563 1.00 4.53 C ATOM 1221 C ALA A 78 23.904 -10.837 -2.570 1.00 51.42 C ATOM 1222 O ALA A 78 25.091 -10.523 -2.673 1.00 12.13 O ATOM 1223 CB ALA A 78 22.159 -9.096 -2.996 1.00 15.31 C ATOM 0 H ALA A 78 20.972 -11.205 -3.511 1.00 14.03 H new ATOM 0 HA ALA A 78 23.393 -10.027 -4.475 1.00 4.53 H new ATOM 0 HB1 ALA A 78 22.893 -8.330 -2.746 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.463 -8.703 -3.737 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.611 -9.379 -2.098 1.00 15.31 H new ATOM 1229 N LEU A 79 23.448 -11.632 -1.610 1.00 34.13 N ATOM 1230 CA LEU A 79 24.334 -12.196 -0.598 1.00 54.32 C ATOM 1231 C LEU A 79 24.313 -13.721 -0.643 1.00 62.35 C ATOM 1232 O LEU A 79 23.337 -14.340 -1.067 1.00 75.14 O ATOM 1233 CB LEU A 79 23.926 -11.711 0.794 1.00 45.25 C ATOM 1234 CG LEU A 79 24.333 -10.281 1.152 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.519 -9.774 2.333 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.822 -10.212 1.460 1.00 23.31 C ATOM 0 H LEU A 79 22.469 -11.901 -1.510 1.00 34.13 H new ATOM 0 HA LEU A 79 25.348 -11.858 -0.811 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.843 -11.792 0.882 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.357 -12.386 1.533 1.00 45.25 H new ATOM 0 HG LEU A 79 24.129 -9.640 0.294 1.00 22.42 H new ATOM 0 HD11 LEU A 79 23.822 -8.755 2.573 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.460 -9.786 2.077 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.691 -10.417 3.196 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.094 -9.187 1.713 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.050 -10.866 2.302 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.389 -10.533 0.587 1.00 23.31 H new ATOM 1248 N PRO A 80 25.414 -14.342 -0.195 1.00 14.00 N ATOM 1249 CA PRO A 80 25.545 -15.802 -0.172 1.00 41.14 C ATOM 1250 C PRO A 80 24.638 -16.449 0.868 1.00 21.40 C ATOM 1251 O PRO A 80 24.716 -16.135 2.055 1.00 0.41 O ATOM 1252 CB PRO A 80 27.016 -16.020 0.191 1.00 72.45 C ATOM 1253 CG PRO A 80 27.410 -14.789 0.933 1.00 25.51 C ATOM 1254 CD PRO A 80 26.616 -13.667 0.324 1.00 63.44 C ATOM 0 HA PRO A 80 25.255 -16.252 -1.121 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.144 -16.911 0.806 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.628 -16.157 -0.701 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.193 -14.888 1.997 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.480 -14.604 0.842 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.362 -12.907 1.063 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.171 -13.167 -0.470 1.00 63.44 H new ATOM 1262 N ALA A 81 23.778 -17.355 0.415 1.00 32.45 N ATOM 1263 CA ALA A 81 22.857 -18.048 1.308 1.00 0.14 C ATOM 1264 C ALA A 81 23.613 -18.844 2.366 1.00 23.15 C ATOM 1265 O ALA A 81 23.114 -19.060 3.470 1.00 35.22 O ATOM 1266 CB ALA A 81 21.939 -18.964 0.512 1.00 1.12 C ATOM 0 H ALA A 81 23.700 -17.626 -0.565 1.00 32.45 H new ATOM 0 HA ALA A 81 22.252 -17.299 1.818 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.257 -19.475 1.191 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.365 -18.373 -0.202 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.537 -19.701 -0.024 1.00 1.12 H new ATOM 1272 N LYS A 82 24.821 -19.280 2.021 1.00 52.31 N ATOM 1273 CA LYS A 82 25.647 -20.052 2.941 1.00 64.02 C ATOM 1274 C LYS A 82 26.171 -19.172 4.071 1.00 31.13 C ATOM 1275 O LYS A 82 25.940 -19.454 5.247 1.00 60.00 O ATOM 1276 CB LYS A 82 26.819 -20.691 2.192 1.00 15.40 C ATOM 1277 CG LYS A 82 26.694 -22.196 2.036 1.00 55.43 C ATOM 1278 CD LYS A 82 28.049 -22.879 2.102 1.00 25.31 C ATOM 1279 CE LYS A 82 28.488 -23.380 0.735 1.00 43.03 C ATOM 1280 NZ LYS A 82 29.407 -22.422 0.061 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.249 -19.111 1.111 1.00 52.31 H new ATOM 0 HA LYS A 82 25.028 -20.838 3.374 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.898 -20.237 1.204 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.744 -20.465 2.722 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.048 -22.591 2.820 1.00 55.43 H new ATOM 0 HG3 LYS A 82 26.216 -22.425 1.083 1.00 55.43 H new ATOM 0 HD2 LYS A 82 28.791 -22.181 2.490 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.002 -23.715 2.799 1.00 25.31 H new ATOM 0 HE2 LYS A 82 28.985 -24.344 0.844 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.611 -23.543 0.109 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 29.683 -22.800 -0.868 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.925 -21.509 -0.066 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 30.256 -22.286 0.646 1.00 1.31 H new ATOM 1294 N GLU A 83 26.875 -18.105 3.707 1.00 54.33 N ATOM 1295 CA GLU A 83 27.431 -17.184 4.692 1.00 72.13 C ATOM 1296 C GLU A 83 26.321 -16.524 5.506 1.00 22.30 C ATOM 1297 O GLU A 83 26.420 -16.404 6.727 1.00 41.13 O ATOM 1298 CB GLU A 83 28.278 -16.114 4.001 1.00 33.31 C ATOM 1299 CG GLU A 83 29.668 -15.961 4.595 1.00 73.20 C ATOM 1300 CD GLU A 83 30.562 -17.150 4.302 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.547 -17.632 3.150 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.275 -17.598 5.223 1.00 42.32 O1- ATOM 0 H GLU A 83 27.074 -17.857 2.738 1.00 54.33 H new ATOM 0 HA GLU A 83 28.064 -17.756 5.370 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.369 -16.362 2.943 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.759 -15.157 4.061 1.00 33.31 H new ATOM 0 HG2 GLU A 83 30.131 -15.057 4.199 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.586 -15.830 5.674 1.00 73.20 H new ATOM 1309 N ALA A 84 25.265 -16.099 4.820 1.00 31.35 N ATOM 1310 CA ALA A 84 24.137 -15.452 5.478 1.00 33.22 C ATOM 1311 C ALA A 84 23.636 -16.285 6.653 1.00 0.53 C ATOM 1312 O ALA A 84 23.490 -15.780 7.766 1.00 54.02 O ATOM 1313 CB ALA A 84 23.012 -15.212 4.482 1.00 63.32 C ATOM 0 H ALA A 84 25.167 -16.191 3.809 1.00 31.35 H new ATOM 0 HA ALA A 84 24.476 -14.491 5.865 1.00 33.22 H new ATOM 0 HB1 ALA A 84 22.176 -14.728 4.987 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.370 -14.571 3.677 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.683 -16.165 4.068 1.00 63.32 H new ATOM 1319 N MET A 85 23.375 -17.563 6.398 1.00 15.31 N ATOM 1320 CA MET A 85 22.891 -18.465 7.437 1.00 72.33 C ATOM 1321 C MET A 85 24.029 -18.895 8.357 1.00 13.11 C ATOM 1322 O MET A 85 23.807 -19.221 9.523 1.00 65.35 O ATOM 1323 CB MET A 85 22.236 -19.697 6.808 1.00 14.13 C ATOM 1324 CG MET A 85 20.825 -19.444 6.304 1.00 2.33 C ATOM 1325 SD MET A 85 20.324 -20.612 5.025 1.00 30.31 S ATOM 1326 CE MET A 85 20.188 -19.525 3.608 1.00 34.22 C ATOM 0 H MET A 85 23.490 -17.997 5.482 1.00 15.31 H new ATOM 0 HA MET A 85 22.149 -17.930 8.031 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.853 -20.043 5.978 1.00 14.13 H new ATOM 0 HB3 MET A 85 22.212 -20.501 7.544 1.00 14.13 H new ATOM 0 HG2 MET A 85 20.128 -19.506 7.140 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.761 -18.430 5.910 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.345 -20.097 2.694 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.195 -19.075 3.588 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.941 -18.740 3.678 1.00 34.22 H new ATOM 1336 N ALA A 86 25.247 -18.893 7.826 1.00 22.40 N ATOM 1337 CA ALA A 86 26.419 -19.280 8.601 1.00 24.14 C ATOM 1338 C ALA A 86 26.571 -18.406 9.841 1.00 44.20 C ATOM 1339 O ALA A 86 27.063 -18.859 10.874 1.00 35.33 O ATOM 1340 CB ALA A 86 27.671 -19.201 7.740 1.00 41.43 C ATOM 0 H ALA A 86 25.448 -18.628 6.862 1.00 22.40 H new ATOM 0 HA ALA A 86 26.282 -20.310 8.930 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.539 -19.493 8.332 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.570 -19.874 6.888 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.803 -18.180 7.382 1.00 41.43 H new ATOM 1346 N GLN A 87 26.147 -17.151 9.730 1.00 21.33 N ATOM 1347 CA GLN A 87 26.239 -16.213 10.843 1.00 11.30 C ATOM 1348 C GLN A 87 24.977 -16.260 11.699 1.00 13.12 C ATOM 1349 O GLN A 87 24.613 -15.273 12.338 1.00 34.44 O ATOM 1350 CB GLN A 87 26.464 -14.792 10.323 1.00 62.44 C ATOM 1351 CG GLN A 87 27.864 -14.559 9.777 1.00 22.40 C ATOM 1352 CD GLN A 87 28.037 -13.174 9.188 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.316 -12.241 9.542 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.997 -13.031 8.281 1.00 23.23 N ATOM 0 H GLN A 87 25.737 -16.761 8.882 1.00 21.33 H new ATOM 0 HA GLN A 87 27.088 -16.504 11.462 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.737 -14.582 9.538 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.275 -14.084 11.130 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.590 -14.703 10.577 1.00 22.40 H new ATOM 0 HG3 GLN A 87 28.080 -15.305 9.012 1.00 22.40 H new ATOM 0 HE21 GLN A 87 29.572 -13.831 8.016 1.00 23.23 H new ATOM 0 HE22 GLN A 87 29.159 -12.121 7.849 1.00 23.23 H new ATOM 1363 N ASP A 88 24.315 -17.411 11.705 1.00 74.43 N ATOM 1364 CA ASP A 88 23.094 -17.587 12.483 1.00 30.11 C ATOM 1365 C ASP A 88 22.149 -16.406 12.284 1.00 61.34 C ATOM 1366 O ASP A 88 21.380 -16.054 13.180 1.00 12.20 O ATOM 1367 CB ASP A 88 23.428 -17.744 13.967 1.00 42.33 C ATOM 1368 CG ASP A 88 24.275 -18.971 14.243 1.00 10.02 C ATOM 1369 OD1 ASP A 88 25.390 -19.059 13.689 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 23.822 -19.845 15.013 1.00 73.51 O ATOM 0 H ASP A 88 24.603 -18.237 11.180 1.00 74.43 H new ATOM 0 HA ASP A 88 22.596 -18.491 12.133 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.956 -16.856 14.313 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.503 -17.808 14.540 1.00 42.33 H new ATOM 1375 N LYS A 89 22.211 -15.797 11.105 1.00 0.12 N ATOM 1376 CA LYS A 89 21.361 -14.656 10.787 1.00 50.20 C ATOM 1377 C LYS A 89 20.097 -15.104 10.061 1.00 23.34 C ATOM 1378 O LYS A 89 19.313 -14.279 9.593 1.00 54.12 O ATOM 1379 CB LYS A 89 22.126 -13.648 9.926 1.00 12.11 C ATOM 1380 CG LYS A 89 22.949 -12.659 10.734 1.00 1.11 C ATOM 1381 CD LYS A 89 22.227 -11.332 10.893 1.00 0.51 C ATOM 1382 CE LYS A 89 23.050 -10.180 10.336 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.319 -8.885 10.420 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.842 -16.075 10.353 1.00 0.12 H new ATOM 0 HA LYS A 89 21.071 -14.179 11.723 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.786 -14.189 9.248 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.416 -13.098 9.308 1.00 12.11 H new ATOM 0 HG2 LYS A 89 23.161 -13.079 11.717 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.908 -12.496 10.243 1.00 1.11 H new ATOM 0 HD2 LYS A 89 21.266 -11.376 10.380 1.00 0.51 H new ATOM 0 HD3 LYS A 89 22.018 -11.154 11.948 1.00 0.51 H new ATOM 0 HE2 LYS A 89 23.988 -10.104 10.886 1.00 23.00 H new ATOM 0 HE3 LYS A 89 23.306 -10.386 9.297 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.913 -8.125 10.031 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.436 -8.949 9.874 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 22.097 -8.676 11.414 1.00 64.21 H new ATOM 1397 N MET A 90 19.905 -16.417 9.971 1.00 61.54 N ATOM 1398 CA MET A 90 18.734 -16.974 9.304 1.00 34.14 C ATOM 1399 C MET A 90 18.356 -18.323 9.906 1.00 23.11 C ATOM 1400 O MET A 90 19.225 -19.103 10.296 1.00 52.43 O ATOM 1401 CB MET A 90 19.000 -17.127 7.805 1.00 63.10 C ATOM 1402 CG MET A 90 18.628 -15.897 6.993 1.00 53.24 C ATOM 1403 SD MET A 90 19.967 -15.343 5.920 1.00 10.12 S ATOM 1404 CE MET A 90 20.827 -14.210 7.009 1.00 55.23 C ATOM 0 H MET A 90 20.545 -17.114 10.351 1.00 61.54 H new ATOM 0 HA MET A 90 17.901 -16.286 9.450 1.00 34.14 H new ATOM 0 HB2 MET A 90 20.057 -17.347 7.652 1.00 63.10 H new ATOM 0 HB3 MET A 90 18.439 -17.983 7.430 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.750 -16.118 6.387 1.00 53.24 H new ATOM 0 HG3 MET A 90 18.352 -15.089 7.670 1.00 53.24 H new ATOM 0 HE1 MET A 90 21.546 -13.627 6.433 1.00 55.23 H new ATOM 0 HE2 MET A 90 20.107 -13.538 7.477 1.00 55.23 H new ATOM 0 HE3 MET A 90 21.351 -14.774 7.780 1.00 55.23 H new ATOM 1414 N GLU A 91 17.056 -18.591 9.979 1.00 65.45 N ATOM 1415 CA GLU A 91 16.565 -19.847 10.534 1.00 11.40 C ATOM 1416 C GLU A 91 15.770 -20.629 9.493 1.00 34.33 C ATOM 1417 O GLU A 91 14.658 -20.245 9.128 1.00 12.44 O ATOM 1418 CB GLU A 91 15.694 -19.580 11.763 1.00 33.13 C ATOM 1419 CG GLU A 91 16.392 -18.766 12.840 1.00 21.12 C ATOM 1420 CD GLU A 91 16.866 -19.620 14.000 1.00 24.32 C ATOM 1421 OE1 GLU A 91 16.037 -20.354 14.575 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 18.069 -19.553 14.332 1.00 51.55 O ATOM 0 H GLU A 91 16.324 -17.956 9.661 1.00 65.45 H new ATOM 0 HA GLU A 91 17.427 -20.445 10.831 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.791 -19.055 11.451 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.378 -20.533 12.188 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.245 -18.247 12.403 1.00 21.12 H new ATOM 0 HG3 GLU A 91 15.710 -18.001 13.211 1.00 21.12 H new ATOM 1429 N VAL A 92 16.348 -21.727 9.018 1.00 4.22 N ATOM 1430 CA VAL A 92 15.694 -22.564 8.019 1.00 10.32 C ATOM 1431 C VAL A 92 15.666 -24.024 8.459 1.00 5.13 C ATOM 1432 O VAL A 92 16.634 -24.531 9.026 1.00 24.13 O ATOM 1433 CB VAL A 92 16.401 -22.465 6.654 1.00 74.54 C ATOM 1434 CG1 VAL A 92 17.870 -22.834 6.785 1.00 44.34 C ATOM 1435 CG2 VAL A 92 15.708 -23.352 5.630 1.00 24.44 C ATOM 0 H VAL A 92 17.268 -22.058 9.309 1.00 4.22 H new ATOM 0 HA VAL A 92 14.672 -22.197 7.918 1.00 10.32 H new ATOM 0 HB VAL A 92 16.341 -21.433 6.307 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.352 -22.758 5.811 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.355 -22.153 7.484 1.00 44.34 H new ATOM 0 HG13 VAL A 92 17.957 -23.856 7.154 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.220 -23.270 4.671 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.735 -24.388 5.968 1.00 24.44 H new ATOM 0 HG23 VAL A 92 14.672 -23.034 5.516 1.00 24.44 H new ATOM 1445 N ASP A 93 14.550 -24.694 8.193 1.00 5.23 N ATOM 1446 CA ASP A 93 14.395 -26.097 8.560 1.00 71.33 C ATOM 1447 C ASP A 93 13.862 -26.910 7.384 1.00 3.43 C ATOM 1448 O ASP A 93 12.729 -26.719 6.947 1.00 70.13 O ATOM 1449 CB ASP A 93 13.454 -26.232 9.758 1.00 63.55 C ATOM 1450 CG ASP A 93 13.698 -25.168 10.809 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.770 -25.202 11.449 1.00 61.15 O1- ATOM 1452 OD2 ASP A 93 12.818 -24.301 10.993 1.00 3.05 O ATOM 0 H ASP A 93 13.740 -24.288 7.725 1.00 5.23 H new ATOM 0 HA ASP A 93 15.376 -26.486 8.833 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.422 -26.169 9.414 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.581 -27.217 10.207 1.00 63.55 H new ATOM 1457 N GLY A 94 14.690 -27.819 6.876 1.00 62.44 N ATOM 1458 CA GLY A 94 14.285 -28.646 5.755 1.00 54.13 C ATOM 1459 C GLY A 94 15.450 -29.391 5.133 1.00 34.44 C ATOM 1460 O GLY A 94 16.608 -29.103 5.432 1.00 31.24 O ATOM 0 H GLY A 94 15.633 -27.997 7.221 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.536 -29.364 6.089 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.812 -28.020 4.998 1.00 54.13 H new ATOM 1464 N GLN A 95 15.142 -30.352 4.268 1.00 20.11 N ATOM 1465 CA GLN A 95 16.173 -31.141 3.605 1.00 74.11 C ATOM 1466 C GLN A 95 17.177 -30.239 2.896 1.00 14.41 C ATOM 1467 O GLN A 95 16.820 -29.487 1.989 1.00 70.12 O ATOM 1468 CB GLN A 95 15.539 -32.107 2.602 1.00 43.12 C ATOM 1469 CG GLN A 95 16.447 -33.263 2.214 1.00 5.44 C ATOM 1470 CD GLN A 95 16.766 -34.173 3.383 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.867 -34.735 4.010 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.050 -34.323 3.684 1.00 15.42 N ATOM 0 H GLN A 95 14.187 -30.603 4.010 1.00 20.11 H new ATOM 0 HA GLN A 95 16.702 -31.714 4.366 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.618 -32.506 3.027 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.263 -31.555 1.703 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.971 -33.845 1.425 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.376 -32.868 1.802 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.762 -33.838 3.138 1.00 15.42 H new ATOM 0 HE22 GLN A 95 18.325 -34.923 4.462 1.00 15.42 H new ATOM 1481 N VAL A 96 18.436 -30.319 3.316 1.00 3.03 N ATOM 1482 CA VAL A 96 19.493 -29.510 2.720 1.00 31.30 C ATOM 1483 C VAL A 96 19.373 -29.482 1.201 1.00 11.34 C ATOM 1484 O VAL A 96 19.395 -28.415 0.587 1.00 40.02 O ATOM 1485 CB VAL A 96 20.888 -30.039 3.104 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.975 -29.143 2.529 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.019 -30.147 4.616 1.00 14.52 C ATOM 0 H VAL A 96 18.749 -30.935 4.066 1.00 3.03 H new ATOM 0 HA VAL A 96 19.376 -28.499 3.109 1.00 31.30 H new ATOM 0 HB VAL A 96 21.010 -31.036 2.680 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.954 -29.532 2.810 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.892 -29.121 1.442 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.859 -28.133 2.922 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.010 -30.522 4.869 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.878 -29.164 5.065 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.263 -30.833 4.999 1.00 14.52 H new ATOM 1497 N GLU A 97 19.246 -30.661 0.600 1.00 74.25 N ATOM 1498 CA GLU A 97 19.123 -30.770 -0.849 1.00 11.51 C ATOM 1499 C GLU A 97 17.947 -29.942 -1.359 1.00 42.00 C ATOM 1500 O GLU A 97 18.088 -29.151 -2.293 1.00 42.22 O ATOM 1501 CB GLU A 97 18.947 -32.234 -1.259 1.00 74.24 C ATOM 1502 CG GLU A 97 20.053 -32.749 -2.165 1.00 53.13 C ATOM 1503 CD GLU A 97 19.817 -32.410 -3.624 1.00 42.33 C ATOM 1504 OE1 GLU A 97 20.260 -31.326 -4.059 1.00 51.11 O ATOM 1505 OE2 GLU A 97 19.191 -33.227 -4.330 1.00 41.00 O1- ATOM 0 H GLU A 97 19.226 -31.553 1.094 1.00 74.25 H new ATOM 0 HA GLU A 97 20.038 -30.382 -1.296 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.907 -32.852 -0.362 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.990 -32.348 -1.768 1.00 74.24 H new ATOM 0 HG2 GLU A 97 21.005 -32.325 -1.847 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.133 -33.831 -2.055 1.00 53.13 H new ATOM 1512 N LEU A 98 16.787 -30.131 -0.740 1.00 4.22 N ATOM 1513 CA LEU A 98 15.584 -29.402 -1.131 1.00 45.51 C ATOM 1514 C LEU A 98 15.869 -27.909 -1.256 1.00 62.10 C ATOM 1515 O LEU A 98 15.600 -27.301 -2.293 1.00 75.13 O ATOM 1516 CB LEU A 98 14.469 -29.636 -0.111 1.00 63.45 C ATOM 1517 CG LEU A 98 13.509 -30.786 -0.418 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.705 -31.156 0.819 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.583 -30.416 -1.568 1.00 24.12 C ATOM 0 H LEU A 98 16.653 -30.782 0.034 1.00 4.22 H new ATOM 0 HA LEU A 98 15.263 -29.774 -2.104 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.926 -29.821 0.861 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.888 -28.718 -0.021 1.00 63.45 H new ATOM 0 HG LEU A 98 14.097 -31.654 -0.716 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.028 -31.976 0.581 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.383 -31.465 1.615 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.127 -30.293 1.149 1.00 70.31 H new ATOM 0 HD21 LEU A 98 11.907 -31.246 -1.772 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.003 -29.534 -1.298 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.175 -30.203 -2.458 1.00 24.12 H new ATOM 1531 N ILE A 99 16.416 -27.325 -0.196 1.00 14.23 N ATOM 1532 CA ILE A 99 16.741 -25.904 -0.189 1.00 35.14 C ATOM 1533 C ILE A 99 17.896 -25.599 -1.136 1.00 52.03 C ATOM 1534 O ILE A 99 18.040 -24.475 -1.616 1.00 51.23 O ATOM 1535 CB ILE A 99 17.108 -25.417 1.225 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.342 -26.161 1.739 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.934 -25.609 2.173 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.948 -25.542 2.979 1.00 52.41 C ATOM 0 H ILE A 99 16.644 -27.814 0.670 1.00 14.23 H new ATOM 0 HA ILE A 99 15.849 -25.375 -0.526 1.00 35.14 H new ATOM 0 HB ILE A 99 17.341 -24.353 1.178 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.070 -27.194 1.955 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.095 -26.187 0.951 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.209 -25.260 3.168 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.078 -25.039 1.812 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.672 -26.666 2.219 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.818 -26.121 3.287 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.252 -24.518 2.763 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.211 -25.540 3.782 1.00 52.41 H new ATOM 1550 N PHE A 100 18.718 -26.610 -1.403 1.00 71.24 N ATOM 1551 CA PHE A 100 19.861 -26.451 -2.294 1.00 72.33 C ATOM 1552 C PHE A 100 19.412 -26.398 -3.751 1.00 42.50 C ATOM 1553 O PHE A 100 20.171 -25.994 -4.633 1.00 71.51 O ATOM 1554 CB PHE A 100 20.853 -27.598 -2.095 1.00 70.10 C ATOM 1555 CG PHE A 100 22.203 -27.148 -1.614 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.132 -26.629 -2.501 1.00 32.30 C ATOM 1557 CD2 PHE A 100 22.543 -27.243 -0.274 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.374 -26.213 -2.062 1.00 55.43 C ATOM 1559 CE2 PHE A 100 23.784 -26.828 0.172 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.701 -26.314 -0.724 1.00 4.43 C ATOM 0 H PHE A 100 18.613 -27.547 -1.015 1.00 71.24 H new ATOM 0 HA PHE A 100 20.352 -25.509 -2.050 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.438 -28.306 -1.377 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.972 -28.132 -3.038 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.882 -26.549 -3.549 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.830 -27.646 0.430 1.00 64.21 H new ATOM 0 HE1 PHE A 100 25.088 -25.809 -2.764 1.00 55.43 H new ATOM 0 HE2 PHE A 100 24.036 -26.906 1.219 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.672 -25.992 -0.379 1.00 4.43 H new ATOM 1570 N LEU A 101 18.173 -26.811 -3.997 1.00 25.32 N ATOM 1571 CA LEU A 101 17.622 -26.812 -5.347 1.00 40.32 C ATOM 1572 C LEU A 101 17.246 -25.400 -5.784 1.00 65.23 C ATOM 1573 O LEU A 101 17.339 -25.057 -6.963 1.00 62.41 O ATOM 1574 CB LEU A 101 16.395 -27.723 -5.417 1.00 25.44 C ATOM 1575 CG LEU A 101 16.675 -29.226 -5.437 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.611 -29.978 -4.652 1.00 4.34 C ATOM 1577 CD2 LEU A 101 16.744 -29.737 -6.869 1.00 22.30 C ATOM 0 H LEU A 101 17.532 -27.149 -3.279 1.00 25.32 H new ATOM 0 HA LEU A 101 18.388 -27.190 -6.025 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.756 -27.504 -4.562 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.828 -27.467 -6.312 1.00 25.44 H new ATOM 0 HG LEU A 101 17.640 -29.402 -4.962 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.827 -31.046 -4.677 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.609 -29.633 -3.618 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.633 -29.795 -5.097 1.00 4.34 H new ATOM 0 HD21 LEU A 101 16.944 -30.808 -6.864 1.00 22.30 H new ATOM 0 HD22 LEU A 101 15.794 -29.548 -7.369 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.543 -29.221 -7.401 1.00 22.30 H new ATOM 1589 N LEU A 102 16.823 -24.583 -4.825 1.00 30.55 N ATOM 1590 CA LEU A 102 16.436 -23.206 -5.109 1.00 44.41 C ATOM 1591 C LEU A 102 17.653 -22.287 -5.115 1.00 35.10 C ATOM 1592 O LEU A 102 17.575 -21.140 -5.553 1.00 24.35 O ATOM 1593 CB LEU A 102 15.419 -22.717 -4.076 1.00 74.32 C ATOM 1594 CG LEU A 102 13.959 -23.081 -4.346 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.829 -24.561 -4.672 1.00 14.34 C ATOM 1596 CD2 LEU A 102 13.089 -22.718 -3.152 1.00 31.25 C ATOM 0 H LEU A 102 16.740 -24.851 -3.844 1.00 30.55 H new ATOM 0 HA LEU A 102 15.980 -23.181 -6.099 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.699 -23.119 -3.102 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.495 -21.632 -4.007 1.00 74.32 H new ATOM 0 HG LEU A 102 13.616 -22.509 -5.208 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.783 -24.801 -4.861 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.420 -24.792 -5.558 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.191 -25.152 -3.831 1.00 14.34 H new ATOM 0 HD21 LEU A 102 12.053 -22.984 -3.362 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.432 -23.263 -2.273 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.157 -21.646 -2.964 1.00 31.25 H new ATOM 1608 N GLU A 103 18.778 -22.801 -4.628 1.00 43.15 N ATOM 1609 CA GLU A 103 20.013 -22.027 -4.579 1.00 3.21 C ATOM 1610 C GLU A 103 20.434 -21.585 -5.977 1.00 63.23 C ATOM 1611 O GLU A 103 20.665 -20.404 -6.239 1.00 12.34 O ATOM 1612 CB GLU A 103 21.131 -22.848 -3.933 1.00 45.21 C ATOM 1613 CG GLU A 103 21.223 -22.673 -2.427 1.00 43.34 C ATOM 1614 CD GLU A 103 22.459 -23.326 -1.838 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.561 -23.110 -2.383 1.00 12.12 O1- ATOM 1616 OE2 GLU A 103 22.323 -24.052 -0.831 1.00 3.05 O ATOM 0 H GLU A 103 18.860 -23.750 -4.262 1.00 43.15 H new ATOM 0 HA GLU A 103 19.830 -21.138 -3.975 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.973 -23.903 -4.159 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.083 -22.566 -4.382 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.230 -21.609 -2.188 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.335 -23.099 -1.961 1.00 43.34 H new ATOM 1623 N PRO A 104 20.537 -22.555 -6.898 1.00 1.41 N ATOM 1624 CA PRO A 104 20.930 -22.291 -8.285 1.00 73.13 C ATOM 1625 C PRO A 104 19.856 -21.535 -9.059 1.00 4.23 C ATOM 1626 O PRO A 104 20.085 -21.087 -10.182 1.00 22.01 O ATOM 1627 CB PRO A 104 21.126 -23.692 -8.871 1.00 53.34 C ATOM 1628 CG PRO A 104 20.262 -24.574 -8.038 1.00 15.34 C ATOM 1629 CD PRO A 104 20.276 -23.984 -6.656 1.00 52.44 C ATOM 0 HA PRO A 104 21.818 -21.661 -8.344 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.833 -23.727 -9.920 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.171 -24.000 -8.821 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.248 -24.614 -8.435 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.641 -25.596 -8.030 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.326 -24.138 -6.144 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.050 -24.434 -6.035 1.00 52.44 H new ATOM 1637 N PHE A 105 18.682 -21.398 -8.451 1.00 2.15 N ATOM 1638 CA PHE A 105 17.571 -20.696 -9.084 1.00 32.10 C ATOM 1639 C PHE A 105 17.516 -19.241 -8.628 1.00 31.15 C ATOM 1640 O PHE A 105 16.870 -18.405 -9.261 1.00 64.30 O ATOM 1641 CB PHE A 105 16.248 -21.395 -8.760 1.00 54.33 C ATOM 1642 CG PHE A 105 15.806 -22.361 -9.820 1.00 41.41 C ATOM 1643 CD1 PHE A 105 15.519 -21.921 -11.102 1.00 74.43 C ATOM 1644 CD2 PHE A 105 15.675 -23.711 -9.535 1.00 1.41 C ATOM 1645 CE1 PHE A 105 15.112 -22.808 -12.081 1.00 11.53 C ATOM 1646 CE2 PHE A 105 15.268 -24.603 -10.510 1.00 3.32 C ATOM 1647 CZ PHE A 105 14.985 -24.150 -11.784 1.00 12.30 C ATOM 0 H PHE A 105 18.475 -21.764 -7.521 1.00 2.15 H new ATOM 0 HA PHE A 105 17.729 -20.714 -10.162 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.350 -21.927 -7.814 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.473 -20.642 -8.620 1.00 54.33 H new ATOM 0 HD1 PHE A 105 15.614 -20.872 -11.339 1.00 74.43 H new ATOM 0 HD2 PHE A 105 15.893 -24.070 -8.540 1.00 1.41 H new ATOM 0 HE1 PHE A 105 14.894 -22.452 -13.077 1.00 11.53 H new ATOM 0 HE2 PHE A 105 15.171 -25.653 -10.276 1.00 3.32 H new ATOM 0 HZ PHE A 105 14.665 -24.845 -12.546 1.00 12.30 H new ATOM 1657 N ILE A 106 18.197 -18.947 -7.525 1.00 24.22 N ATOM 1658 CA ILE A 106 18.226 -17.594 -6.984 1.00 75.54 C ATOM 1659 C ILE A 106 18.733 -16.598 -8.022 1.00 2.34 C ATOM 1660 O ILE A 106 18.166 -15.519 -8.190 1.00 3.54 O ATOM 1661 CB ILE A 106 19.115 -17.508 -5.730 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.408 -18.146 -4.532 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.472 -16.059 -5.431 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.357 -18.667 -3.477 1.00 25.24 C ATOM 0 H ILE A 106 18.736 -19.627 -6.989 1.00 24.22 H new ATOM 0 HA ILE A 106 17.201 -17.341 -6.711 1.00 75.54 H new ATOM 0 HB ILE A 106 20.037 -18.057 -5.919 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.743 -17.411 -4.079 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.783 -18.967 -4.884 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.101 -16.015 -4.542 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.011 -15.635 -6.278 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.560 -15.488 -5.259 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.786 -19.105 -2.658 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.006 -19.426 -3.914 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.965 -17.846 -3.097 1.00 25.24 H new ATOM 1676 N ALA A 107 19.803 -16.969 -8.717 1.00 3.35 N ATOM 1677 CA ALA A 107 20.384 -16.110 -9.741 1.00 34.20 C ATOM 1678 C ALA A 107 19.352 -15.746 -10.803 1.00 53.41 C ATOM 1679 O ALA A 107 19.336 -14.623 -11.307 1.00 32.33 O ATOM 1680 CB ALA A 107 21.585 -16.791 -10.382 1.00 64.22 C ATOM 0 H ALA A 107 20.285 -17.859 -8.589 1.00 3.35 H new ATOM 0 HA ALA A 107 20.715 -15.188 -9.262 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.009 -16.138 -11.145 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.337 -16.995 -9.620 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.270 -17.728 -10.841 1.00 64.22 H new ATOM 1686 N SER A 108 18.492 -16.702 -11.138 1.00 21.15 N ATOM 1687 CA SER A 108 17.458 -16.482 -12.143 1.00 44.42 C ATOM 1688 C SER A 108 16.674 -15.208 -11.847 1.00 32.13 C ATOM 1689 O SER A 108 16.136 -14.571 -12.753 1.00 64.31 O ATOM 1690 CB SER A 108 16.507 -17.679 -12.197 1.00 55.01 C ATOM 1691 OG SER A 108 17.216 -18.885 -12.422 1.00 5.42 O ATOM 0 H SER A 108 18.490 -17.636 -10.729 1.00 21.15 H new ATOM 0 HA SER A 108 17.946 -16.370 -13.111 1.00 44.42 H new ATOM 0 HB2 SER A 108 15.952 -17.749 -11.261 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.775 -17.530 -12.991 1.00 55.01 H new ATOM 0 HG SER A 108 16.797 -19.379 -13.157 1.00 5.42 H new ATOM 1697 N LEU A 109 16.614 -14.841 -10.571 1.00 35.14 N ATOM 1698 CA LEU A 109 15.895 -13.642 -10.153 1.00 3.21 C ATOM 1699 C LEU A 109 16.787 -12.409 -10.257 1.00 12.12 C ATOM 1700 O LEU A 109 17.996 -12.519 -10.463 1.00 20.34 O ATOM 1701 CB LEU A 109 15.391 -13.801 -8.718 1.00 34.14 C ATOM 1702 CG LEU A 109 14.902 -15.196 -8.329 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.299 -15.181 -6.932 1.00 33.34 C ATOM 1704 CD2 LEU A 109 13.890 -15.709 -9.343 1.00 5.32 C ATOM 0 H LEU A 109 17.054 -15.356 -9.809 1.00 35.14 H new ATOM 0 HA LEU A 109 15.042 -13.508 -10.819 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.195 -13.517 -8.038 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.576 -13.095 -8.560 1.00 34.14 H new ATOM 0 HG LEU A 109 15.758 -15.871 -8.326 1.00 61.52 H new ATOM 0 HD11 LEU A 109 13.957 -16.183 -6.673 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.053 -14.858 -6.214 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.455 -14.491 -6.907 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.553 -16.703 -9.050 1.00 5.32 H new ATOM 0 HD22 LEU A 109 13.036 -15.032 -9.379 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.355 -15.759 -10.328 1.00 5.32 H new ATOM 1716 N LYS A 110 16.183 -11.235 -10.112 1.00 61.55 N ATOM 1717 CA LYS A 110 16.922 -9.980 -10.186 1.00 50.13 C ATOM 1718 C LYS A 110 16.527 -9.048 -9.044 1.00 22.31 C ATOM 1719 O LYS A 110 16.923 -7.884 -9.054 1.00 42.22 O ATOM 1720 CB LYS A 110 16.667 -9.293 -11.530 1.00 44.41 C ATOM 1721 CG LYS A 110 17.788 -9.489 -12.535 1.00 44.45 C ATOM 1722 CD LYS A 110 17.476 -10.616 -13.506 1.00 34.11 C ATOM 1723 CE LYS A 110 17.811 -10.227 -14.938 1.00 5.35 C ATOM 1724 NZ LYS A 110 16.590 -10.122 -15.784 1.00 30.41 N1+ ATOM 0 H LYS A 110 15.183 -11.126 -9.942 1.00 61.55 H new ATOM 0 HA LYS A 110 17.984 -10.207 -10.096 1.00 50.13 H new ATOM 0 HB2 LYS A 110 15.739 -9.676 -11.954 1.00 44.41 H new ATOM 0 HB3 LYS A 110 16.524 -8.226 -11.362 1.00 44.41 H new ATOM 0 HG2 LYS A 110 17.947 -8.564 -13.089 1.00 44.45 H new ATOM 0 HG3 LYS A 110 18.716 -9.708 -12.008 1.00 44.45 H new ATOM 0 HD2 LYS A 110 18.042 -11.505 -13.227 1.00 34.11 H new ATOM 0 HD3 LYS A 110 16.420 -10.876 -13.436 1.00 34.11 H new ATOM 0 HE2 LYS A 110 18.338 -9.273 -14.941 1.00 5.35 H new ATOM 0 HE3 LYS A 110 18.487 -10.967 -15.367 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 16.860 -9.855 -16.752 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 16.100 -11.039 -15.802 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 15.956 -9.398 -15.390 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.661 -27.511 -11.018 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.756 -26.540 -11.324 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.853 -28.498 -11.721 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.418 -27.244 -9.690 1.00 54.31 C HETATM 1743 C3 PLM A 200 12.441 -26.069 -9.884 1.00 13.24 C HETATM 1744 C4 PLM A 200 12.019 -24.726 -9.246 1.00 51.32 C HETATM 1745 C5 PLM A 200 12.260 -24.701 -7.725 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.930 -23.329 -7.107 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.878 -22.222 -7.605 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.598 -20.867 -6.928 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.890 -20.162 -6.469 1.00 71.14 C HETATM 1750 CA PLM A 200 13.858 -19.659 -5.011 1.00 3.31 C HETATM 1751 CB PLM A 200 15.220 -19.043 -4.641 1.00 12.32 C HETATM 1752 CC PLM A 200 14.994 -18.269 -3.187 1.00 52.33 C HETATM 1753 CD PLM A 200 15.196 -19.242 -2.010 1.00 43.24 C HETATM 1754 CE PLM A 200 16.636 -19.788 -1.944 1.00 12.22 C HETATM 1755 CF PLM A 200 16.873 -20.653 -0.694 1.00 51.53 C HETATM 1756 CG PLM A 200 17.815 -21.829 -0.985 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.380 -22.460 -1.760 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.778 -21.448 -1.325 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.957 -22.415 -0.077 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.295 -20.037 0.100 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.919 -21.033 -0.329 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.840 -20.379 -2.837 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.339 -18.955 -1.946 1.00 12.22 H new HETATM 0 HD2 PLM A 200 14.960 -18.733 -1.076 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.498 -20.074 -2.105 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.693 -17.437 -3.101 1.00 52.33 H new HETATM 0 HC1 PLM A 200 13.990 -17.847 -3.147 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.987 -19.813 -4.558 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.553 -18.343 -5.408 1.00 12.32 H new HETATM 0 HA2 PLM A 200 13.068 -18.917 -4.890 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.627 -20.484 -4.337 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.726 -20.851 -6.584 1.00 71.14 H new HETATM 0 H91 PLM A 200 14.081 -19.315 -7.128 1.00 71.14 H new HETATM 0 H82 PLM A 200 12.062 -20.221 -7.623 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.946 -21.021 -6.068 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.910 -22.516 -7.412 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.773 -22.115 -8.685 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.902 -23.061 -7.350 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.993 -23.397 -6.021 1.00 53.20 H new HETATM 0 H52 PLM A 200 11.649 -25.468 -7.249 1.00 43.34 H new HETATM 0 H51 PLM A 200 13.301 -24.949 -7.520 1.00 43.34 H new HETATM 0 H42 PLM A 200 12.575 -23.913 -9.713 1.00 51.32 H new HETATM 0 H41 PLM A 200 10.963 -24.546 -9.447 1.00 51.32 H new HETATM 0 H32 PLM A 200 13.401 -26.369 -9.463 1.00 13.24 H new HETATM 0 H31 PLM A 200 12.596 -25.914 -10.952 1.00 13.24 H new HETATM 0 H22 PLM A 200 10.709 -26.993 -8.901 1.00 54.31 H new HETATM 0 H21 PLM A 200 11.942 -28.145 -9.373 1.00 54.31 H new HETATM 0 H PLM A 200 9.531 -26.036 -10.514 1.00 23.33 H new