USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 28 ASN : amide:sc= -4.99 K(o=-12,f=-8.7) USER MOD Set 1.2: A 64 ASN : amide:sc= -6.81! C(o=-12!,f=-10!) USER MOD Set 2.1: A 1 LEU N :NH3+ -129:sc= -0.207 (180deg=-0.796) USER MOD Set 2.2: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 57:sc= 1.02 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= -0.0306 (180deg=-0.273) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.653 K(o=-0.65,f=-2.9!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -53:sc= 0.967 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 133:sc= -0.0918 (180deg=-0.516) USER MOD Single : A 52 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.16) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 57:sc= 0.97 USER MOD Single : A 58 GLN : amide:sc= -0.733 K(o=-0.73,f=-0.034) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= -0.409 (180deg=-0.519) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 67 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.0059) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.7!) USER MOD Single : A 77 ASN : amide:sc= -4.17! K(o=-4.2!,f=-0.85) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -1.04 K(o=-1,f=-5.5!) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0281 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.492 -8.966 -4.290 1.00 0.00 N ATOM 2 CA LEU A 1 3.069 -7.578 -4.437 1.00 0.00 C ATOM 3 C LEU A 1 4.247 -6.686 -4.813 1.00 0.00 C ATOM 4 O LEU A 1 4.134 -5.824 -5.685 1.00 0.00 O ATOM 5 CB LEU A 1 2.431 -7.079 -3.139 1.00 0.00 C ATOM 6 CG LEU A 1 0.911 -7.215 -3.043 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.232 -6.406 -4.137 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.500 -8.678 -3.126 1.00 0.00 C ATOM 0 H1 LEU A 1 2.870 -9.580 -4.854 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.472 -9.067 -4.622 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.435 -9.242 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 1 2.332 -7.532 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.878 -7.622 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.691 -6.028 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 1 0.591 -6.822 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.849 -6.515 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.500 -5.355 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.558 -6.767 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.585 -8.756 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.833 -9.096 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.957 -9.231 -2.306 1.00 0.00 H new ATOM 20 N LYS A 2 5.379 -6.900 -4.151 1.00 0.00 N ATOM 21 CA LYS A 2 6.581 -6.118 -4.418 1.00 0.00 C ATOM 22 C LYS A 2 6.354 -4.645 -4.095 1.00 0.00 C ATOM 23 O LYS A 2 6.682 -4.181 -3.003 1.00 0.00 O ATOM 24 CB LYS A 2 7.000 -6.272 -5.882 1.00 0.00 C ATOM 25 CG LYS A 2 7.534 -7.653 -6.219 1.00 0.00 C ATOM 26 CD LYS A 2 6.471 -8.517 -6.877 1.00 0.00 C ATOM 27 CE LYS A 2 6.888 -9.978 -6.921 1.00 0.00 C ATOM 28 NZ LYS A 2 5.713 -10.892 -6.897 1.00 0.00 N ATOM 0 H LYS A 2 5.489 -7.608 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 2 7.379 -6.494 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.144 -6.057 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.764 -5.530 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.392 -7.560 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.888 -8.139 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.533 -8.422 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.286 -8.160 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.472 -10.162 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.535 -10.196 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.040 -11.879 -6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.169 -10.735 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.108 -10.701 -7.721 1.00 0.00 H new ATOM 42 N SER A 3 5.791 -3.914 -5.052 1.00 0.00 N ATOM 43 CA SER A 3 5.523 -2.492 -4.870 1.00 0.00 C ATOM 44 C SER A 3 4.895 -1.893 -6.124 1.00 0.00 C ATOM 45 O SER A 3 3.700 -1.596 -6.155 1.00 0.00 O ATOM 46 CB SER A 3 6.814 -1.747 -4.527 1.00 0.00 C ATOM 47 OG SER A 3 6.919 -1.524 -3.131 1.00 0.00 O ATOM 0 H SER A 3 5.512 -4.283 -5.961 1.00 0.00 H new ATOM 0 HA SER A 3 4.819 -2.383 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.673 -2.323 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.838 -0.793 -5.054 1.00 0.00 H new ATOM 0 HG SER A 3 6.867 -2.381 -2.658 1.00 0.00 H new ATOM 53 N THR A 4 5.709 -1.717 -7.160 1.00 0.00 N ATOM 54 CA THR A 4 5.236 -1.152 -8.418 1.00 0.00 C ATOM 55 C THR A 4 3.992 -1.880 -8.914 1.00 0.00 C ATOM 56 O THR A 4 3.130 -1.287 -9.562 1.00 0.00 O ATOM 57 CB THR A 4 6.323 -1.216 -9.507 1.00 0.00 C ATOM 58 OG1 THR A 4 5.912 -0.463 -10.654 1.00 0.00 O ATOM 59 CG2 THR A 4 6.600 -2.656 -9.911 1.00 0.00 C ATOM 0 H THR A 4 6.700 -1.958 -7.153 1.00 0.00 H new ATOM 0 HA THR A 4 4.989 -0.108 -8.223 1.00 0.00 H new ATOM 0 HB THR A 4 7.239 -0.787 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.609 -0.507 -11.341 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.371 -2.676 -10.681 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.941 -3.219 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.687 -3.107 -10.300 1.00 0.00 H new ATOM 67 N PHE A 5 3.904 -3.170 -8.604 1.00 0.00 N ATOM 68 CA PHE A 5 2.765 -3.980 -9.019 1.00 0.00 C ATOM 69 C PHE A 5 1.451 -3.272 -8.703 1.00 0.00 C ATOM 70 O PHE A 5 0.463 -3.424 -9.422 1.00 0.00 O ATOM 71 CB PHE A 5 2.803 -5.344 -8.327 1.00 0.00 C ATOM 72 CG PHE A 5 1.786 -6.314 -8.858 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.469 -6.337 -10.206 1.00 0.00 C ATOM 74 CD2 PHE A 5 1.148 -7.203 -8.008 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.534 -7.228 -10.697 1.00 0.00 C ATOM 76 CE2 PHE A 5 0.212 -8.097 -8.493 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.095 -8.110 -9.840 1.00 0.00 C ATOM 0 H PHE A 5 4.608 -3.676 -8.067 1.00 0.00 H new ATOM 0 HA PHE A 5 2.828 -4.126 -10.097 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.798 -5.774 -8.443 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.638 -5.205 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.958 -5.651 -10.881 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.385 -7.197 -6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.295 -7.235 -11.750 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.279 -8.784 -7.820 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.825 -8.808 -10.222 1.00 0.00 H new ATOM 87 N ASP A 6 1.447 -2.500 -7.622 1.00 0.00 N ATOM 88 CA ASP A 6 0.255 -1.769 -7.209 1.00 0.00 C ATOM 89 C ASP A 6 -0.198 -0.806 -8.302 1.00 0.00 C ATOM 90 O ASP A 6 -1.205 -1.041 -8.971 1.00 0.00 O ATOM 91 CB ASP A 6 0.525 -0.999 -5.915 1.00 0.00 C ATOM 92 CG ASP A 6 0.339 -1.858 -4.680 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.892 -2.978 -4.647 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.360 -1.411 -3.747 1.00 0.00 O ATOM 0 H ASP A 6 2.256 -2.364 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.541 -2.492 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.543 -0.610 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.144 -0.140 -5.861 1.00 0.00 H new ATOM 99 N ASP A 7 0.550 0.277 -8.478 1.00 0.00 N ATOM 100 CA ASP A 7 0.226 1.275 -9.490 1.00 0.00 C ATOM 101 C ASP A 7 0.122 0.635 -10.871 1.00 0.00 C ATOM 102 O ASP A 7 -0.567 1.148 -11.753 1.00 0.00 O ATOM 103 CB ASP A 7 1.284 2.380 -9.505 1.00 0.00 C ATOM 104 CG ASP A 7 1.025 3.444 -8.456 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.311 4.421 -8.766 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.535 3.298 -7.326 1.00 0.00 O ATOM 0 H ASP A 7 1.386 0.486 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.740 1.711 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.267 1.940 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.307 2.844 -10.491 1.00 0.00 H new ATOM 111 N ILE A 8 0.809 -0.488 -11.050 1.00 0.00 N ATOM 112 CA ILE A 8 0.794 -1.198 -12.323 1.00 0.00 C ATOM 113 C ILE A 8 -0.532 -1.922 -12.532 1.00 0.00 C ATOM 114 O ILE A 8 -1.083 -1.927 -13.633 1.00 0.00 O ATOM 115 CB ILE A 8 1.944 -2.218 -12.413 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.262 -1.507 -12.725 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.639 -3.268 -13.471 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.459 -2.432 -12.735 1.00 0.00 C ATOM 0 H ILE A 8 1.383 -0.926 -10.330 1.00 0.00 H new ATOM 0 HA ILE A 8 0.923 -0.449 -13.104 1.00 0.00 H new ATOM 0 HB ILE A 8 2.042 -2.719 -11.450 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.181 -1.019 -13.697 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.426 -0.722 -11.987 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.461 -3.982 -13.523 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.720 -3.792 -13.209 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.517 -2.784 -14.440 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.359 -1.860 -12.963 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.565 -2.900 -11.757 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.317 -3.203 -13.493 1.00 0.00 H new ATOM 130 N LYS A 9 -1.040 -2.533 -11.467 1.00 0.00 N ATOM 131 CA LYS A 9 -2.303 -3.259 -11.531 1.00 0.00 C ATOM 132 C LYS A 9 -3.475 -2.297 -11.699 1.00 0.00 C ATOM 133 O LYS A 9 -4.545 -2.682 -12.173 1.00 0.00 O ATOM 134 CB LYS A 9 -2.496 -4.100 -10.267 1.00 0.00 C ATOM 135 CG LYS A 9 -3.223 -3.366 -9.154 1.00 0.00 C ATOM 136 CD LYS A 9 -2.742 -3.814 -7.784 1.00 0.00 C ATOM 137 CE LYS A 9 -3.716 -4.789 -7.142 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.004 -4.132 -6.785 1.00 0.00 N ATOM 0 H LYS A 9 -0.596 -2.540 -10.549 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.271 -3.919 -12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.054 -5.001 -10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.521 -4.422 -9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.067 -2.293 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.295 -3.543 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.763 -4.284 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.618 -2.944 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.907 -5.615 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.265 -5.216 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.466 -4.665 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.821 -3.159 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.626 -4.112 -7.618 1.00 0.00 H new ATOM 152 N LYS A 10 -3.267 -1.044 -11.308 1.00 0.00 N ATOM 153 CA LYS A 10 -4.305 -0.026 -11.418 1.00 0.00 C ATOM 154 C LYS A 10 -4.386 0.518 -12.840 1.00 0.00 C ATOM 155 O LYS A 10 -5.473 0.644 -13.405 1.00 0.00 O ATOM 156 CB LYS A 10 -4.032 1.117 -10.438 1.00 0.00 C ATOM 157 CG LYS A 10 -4.278 2.495 -11.027 1.00 0.00 C ATOM 158 CD LYS A 10 -4.058 3.590 -9.997 1.00 0.00 C ATOM 159 CE LYS A 10 -5.247 3.718 -9.057 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.740 5.120 -8.974 1.00 0.00 N ATOM 0 H LYS A 10 -2.389 -0.709 -10.912 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.260 -0.489 -11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.663 0.989 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.998 1.055 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.612 2.653 -11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.298 2.552 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.159 3.373 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.890 4.540 -10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.053 3.069 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.963 3.374 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.550 5.165 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.979 5.735 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.036 5.441 -9.918 1.00 0.00 H new ATOM 174 N ILE A 11 -3.231 0.837 -13.414 1.00 0.00 N ATOM 175 CA ILE A 11 -3.172 1.364 -14.771 1.00 0.00 C ATOM 176 C ILE A 11 -3.719 0.357 -15.777 1.00 0.00 C ATOM 177 O ILE A 11 -4.422 0.724 -16.718 1.00 0.00 O ATOM 178 CB ILE A 11 -1.731 1.738 -15.168 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.787 0.562 -14.910 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.274 2.970 -14.402 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.651 0.850 -15.281 1.00 0.00 C ATOM 0 H ILE A 11 -2.323 0.739 -12.960 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.790 2.262 -14.787 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.711 1.969 -16.233 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.835 0.293 -13.855 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.134 -0.303 -15.476 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.254 3.222 -14.693 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.934 3.807 -14.631 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.306 2.766 -13.332 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.263 -0.027 -15.072 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.712 1.090 -16.342 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.015 1.695 -14.697 1.00 0.00 H new ATOM 193 N ILE A 12 -3.393 -0.914 -15.569 1.00 0.00 N ATOM 194 CA ILE A 12 -3.854 -1.975 -16.456 1.00 0.00 C ATOM 195 C ILE A 12 -5.314 -2.322 -16.185 1.00 0.00 C ATOM 196 O ILE A 12 -6.049 -2.711 -17.092 1.00 0.00 O ATOM 197 CB ILE A 12 -2.999 -3.247 -16.305 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.548 -4.366 -17.192 1.00 0.00 C ATOM 199 CG2 ILE A 12 -2.960 -3.689 -14.849 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.488 -5.052 -18.025 1.00 0.00 C ATOM 0 H ILE A 12 -2.812 -1.234 -14.794 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.755 -1.600 -17.475 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.981 -3.023 -16.624 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.041 -5.108 -16.564 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.309 -3.953 -17.855 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.352 -4.589 -14.758 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.527 -2.896 -14.239 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.973 -3.899 -14.505 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.949 -5.834 -18.629 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.011 -4.322 -18.679 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.739 -5.495 -17.368 1.00 0.00 H new ATOM 212 N SER A 13 -5.728 -2.177 -14.930 1.00 0.00 N ATOM 213 CA SER A 13 -7.100 -2.477 -14.539 1.00 0.00 C ATOM 214 C SER A 13 -8.073 -1.483 -15.165 1.00 0.00 C ATOM 215 O SER A 13 -9.239 -1.802 -15.403 1.00 0.00 O ATOM 216 CB SER A 13 -7.236 -2.449 -13.015 1.00 0.00 C ATOM 217 OG SER A 13 -8.594 -2.346 -12.625 1.00 0.00 O ATOM 0 H SER A 13 -5.133 -1.854 -14.167 1.00 0.00 H new ATOM 0 HA SER A 13 -7.344 -3.476 -14.901 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.801 -3.354 -12.591 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.674 -1.606 -12.612 1.00 0.00 H new ATOM 0 HG SER A 13 -8.653 -2.332 -11.647 1.00 0.00 H new ATOM 223 N LYS A 14 -7.587 -0.276 -15.431 1.00 0.00 N ATOM 224 CA LYS A 14 -8.411 0.767 -16.032 1.00 0.00 C ATOM 225 C LYS A 14 -8.141 0.879 -17.529 1.00 0.00 C ATOM 226 O LYS A 14 -8.995 1.333 -18.290 1.00 0.00 O ATOM 227 CB LYS A 14 -8.144 2.112 -15.352 1.00 0.00 C ATOM 228 CG LYS A 14 -8.960 3.256 -15.926 1.00 0.00 C ATOM 229 CD LYS A 14 -8.077 4.269 -16.637 1.00 0.00 C ATOM 230 CE LYS A 14 -7.614 5.366 -15.690 1.00 0.00 C ATOM 231 NZ LYS A 14 -6.882 6.445 -16.408 1.00 0.00 N ATOM 0 H LYS A 14 -6.625 0.005 -15.240 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.457 0.496 -15.889 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.360 2.021 -14.288 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.084 2.351 -15.442 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.699 2.863 -16.624 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.510 3.750 -15.125 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.210 3.763 -17.061 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.626 4.712 -17.468 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.477 5.791 -15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.968 4.936 -14.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.583 7.173 -15.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.045 6.044 -16.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.506 6.873 -17.121 1.00 0.00 H new ATOM 245 N GLN A 15 -6.948 0.463 -17.943 1.00 0.00 N ATOM 246 CA GLN A 15 -6.568 0.517 -19.350 1.00 0.00 C ATOM 247 C GLN A 15 -7.112 -0.690 -20.108 1.00 0.00 C ATOM 248 O GLN A 15 -8.085 -0.580 -20.854 1.00 0.00 O ATOM 249 CB GLN A 15 -5.045 0.575 -19.485 1.00 0.00 C ATOM 250 CG GLN A 15 -4.558 0.464 -20.921 1.00 0.00 C ATOM 251 CD GLN A 15 -5.389 1.288 -21.885 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.782 2.414 -21.579 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.662 0.730 -23.058 1.00 0.00 N ATOM 0 H GLN A 15 -6.229 0.086 -17.325 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.000 1.419 -19.783 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.686 1.512 -19.060 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.605 -0.231 -18.897 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.519 0.788 -20.974 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.582 -0.581 -21.229 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.316 -0.206 -23.270 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.218 1.237 -23.747 1.00 0.00 H new ATOM 262 N LEU A 16 -6.477 -1.840 -19.912 1.00 0.00 N ATOM 263 CA LEU A 16 -6.897 -3.068 -20.577 1.00 0.00 C ATOM 264 C LEU A 16 -8.115 -3.674 -19.885 1.00 0.00 C ATOM 265 O LEU A 16 -8.943 -4.325 -20.521 1.00 0.00 O ATOM 266 CB LEU A 16 -5.751 -4.080 -20.594 1.00 0.00 C ATOM 267 CG LEU A 16 -4.634 -3.812 -21.603 1.00 0.00 C ATOM 268 CD1 LEU A 16 -3.527 -2.984 -20.968 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.078 -5.121 -22.146 1.00 0.00 C ATOM 0 H LEU A 16 -5.670 -1.948 -19.298 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.171 -2.820 -21.603 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.312 -4.118 -19.597 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.167 -5.067 -20.797 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.052 -3.245 -22.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.741 -2.804 -21.702 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.934 -2.031 -20.630 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.112 -3.523 -20.117 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.284 -4.910 -22.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.677 -5.715 -21.324 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.874 -5.677 -22.640 1.00 0.00 H new ATOM 281 N SER A 17 -8.217 -3.452 -18.578 1.00 0.00 N ATOM 282 CA SER A 17 -9.332 -3.977 -17.799 1.00 0.00 C ATOM 283 C SER A 17 -9.316 -5.502 -17.787 1.00 0.00 C ATOM 284 O SER A 17 -10.336 -6.148 -18.030 1.00 0.00 O ATOM 285 CB SER A 17 -10.661 -3.474 -18.368 1.00 0.00 C ATOM 286 OG SER A 17 -11.666 -3.450 -17.370 1.00 0.00 O ATOM 0 H SER A 17 -7.541 -2.912 -18.037 1.00 0.00 H new ATOM 0 HA SER A 17 -9.226 -3.622 -16.774 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.529 -2.473 -18.779 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.975 -4.118 -19.190 1.00 0.00 H new ATOM 0 HG SER A 17 -12.505 -3.124 -17.758 1.00 0.00 H new ATOM 292 N VAL A 18 -8.150 -6.073 -17.502 1.00 0.00 N ATOM 293 CA VAL A 18 -7.999 -7.523 -17.456 1.00 0.00 C ATOM 294 C VAL A 18 -7.300 -7.963 -16.175 1.00 0.00 C ATOM 295 O VAL A 18 -7.100 -7.164 -15.260 1.00 0.00 O ATOM 296 CB VAL A 18 -7.202 -8.042 -18.667 1.00 0.00 C ATOM 297 CG1 VAL A 18 -7.818 -7.545 -19.966 1.00 0.00 C ATOM 298 CG2 VAL A 18 -5.743 -7.622 -18.565 1.00 0.00 C ATOM 0 H VAL A 18 -7.296 -5.554 -17.299 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.003 -7.947 -17.482 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.244 -9.131 -18.666 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.241 -7.922 -20.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.846 -7.901 -20.041 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.810 -6.455 -19.979 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.195 -7.998 -19.429 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.678 -6.534 -18.539 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.309 -8.033 -17.654 1.00 0.00 H new ATOM 308 N GLU A 19 -6.930 -9.238 -16.117 1.00 0.00 N ATOM 309 CA GLU A 19 -6.253 -9.784 -14.946 1.00 0.00 C ATOM 310 C GLU A 19 -4.740 -9.640 -15.077 1.00 0.00 C ATOM 311 O GLU A 19 -4.133 -10.172 -16.006 1.00 0.00 O ATOM 312 CB GLU A 19 -6.622 -11.257 -14.757 1.00 0.00 C ATOM 313 CG GLU A 19 -6.485 -12.086 -16.023 1.00 0.00 C ATOM 314 CD GLU A 19 -6.021 -13.503 -15.745 1.00 0.00 C ATOM 315 OE1 GLU A 19 -5.152 -13.681 -14.866 1.00 0.00 O ATOM 316 OE2 GLU A 19 -6.528 -14.433 -16.406 1.00 0.00 O ATOM 0 H GLU A 19 -7.087 -9.912 -16.866 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.580 -9.220 -14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.987 -11.685 -13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.650 -11.322 -14.399 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.445 -12.117 -16.539 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.777 -11.601 -16.696 1.00 0.00 H new ATOM 323 N GLU A 20 -4.137 -8.915 -14.139 1.00 0.00 N ATOM 324 CA GLU A 20 -2.695 -8.700 -14.150 1.00 0.00 C ATOM 325 C GLU A 20 -1.952 -9.969 -13.741 1.00 0.00 C ATOM 326 O GLU A 20 -0.726 -10.038 -13.825 1.00 0.00 O ATOM 327 CB GLU A 20 -2.321 -7.552 -13.210 1.00 0.00 C ATOM 328 CG GLU A 20 -2.930 -7.677 -11.824 1.00 0.00 C ATOM 329 CD GLU A 20 -4.207 -6.872 -11.673 1.00 0.00 C ATOM 330 OE1 GLU A 20 -4.746 -6.418 -12.703 1.00 0.00 O ATOM 331 OE2 GLU A 20 -4.665 -6.697 -10.525 1.00 0.00 O ATOM 0 H GLU A 20 -4.625 -8.467 -13.363 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.400 -8.439 -15.166 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.236 -7.508 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.642 -6.610 -13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.140 -8.726 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.205 -7.344 -11.081 1.00 0.00 H new ATOM 338 N ASP A 21 -2.704 -10.970 -13.297 1.00 0.00 N ATOM 339 CA ASP A 21 -2.119 -12.237 -12.875 1.00 0.00 C ATOM 340 C ASP A 21 -1.483 -12.963 -14.056 1.00 0.00 C ATOM 341 O ASP A 21 -0.733 -13.923 -13.879 1.00 0.00 O ATOM 342 CB ASP A 21 -3.183 -13.125 -12.228 1.00 0.00 C ATOM 343 CG ASP A 21 -3.127 -13.087 -10.714 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.502 -12.047 -10.133 1.00 0.00 O ATOM 345 OD2 ASP A 21 -2.708 -14.096 -10.109 1.00 0.00 O ATOM 0 H ASP A 21 -3.720 -10.928 -13.220 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.341 -12.022 -12.142 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.170 -12.804 -12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.050 -14.152 -12.568 1.00 0.00 H new ATOM 350 N LYS A 22 -1.788 -12.497 -15.263 1.00 0.00 N ATOM 351 CA LYS A 22 -1.247 -13.100 -16.475 1.00 0.00 C ATOM 352 C LYS A 22 -0.447 -12.080 -17.280 1.00 0.00 C ATOM 353 O LYS A 22 0.276 -12.439 -18.209 1.00 0.00 O ATOM 354 CB LYS A 22 -2.378 -13.670 -17.335 1.00 0.00 C ATOM 355 CG LYS A 22 -3.571 -12.739 -17.465 1.00 0.00 C ATOM 356 CD LYS A 22 -3.265 -11.565 -18.381 1.00 0.00 C ATOM 357 CE LYS A 22 -4.513 -11.081 -19.102 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.482 -11.417 -20.552 1.00 0.00 N ATOM 0 H LYS A 22 -2.407 -11.703 -15.427 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.579 -13.910 -16.181 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.991 -13.892 -18.329 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.710 -14.615 -16.904 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.425 -13.293 -17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.854 -12.369 -16.480 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.841 -10.748 -17.798 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.512 -11.859 -19.112 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.394 -11.530 -18.644 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.606 -10.002 -18.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.350 -11.070 -21.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.655 -10.967 -20.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.419 -12.449 -20.668 1.00 0.00 H new ATOM 372 N ILE A 23 -0.581 -10.810 -16.916 1.00 0.00 N ATOM 373 CA ILE A 23 0.131 -9.740 -17.603 1.00 0.00 C ATOM 374 C ILE A 23 1.442 -9.411 -16.897 1.00 0.00 C ATOM 375 O ILE A 23 2.264 -8.655 -17.414 1.00 0.00 O ATOM 376 CB ILE A 23 -0.724 -8.462 -17.694 1.00 0.00 C ATOM 377 CG1 ILE A 23 -0.673 -7.889 -19.112 1.00 0.00 C ATOM 378 CG2 ILE A 23 -0.246 -7.431 -16.683 1.00 0.00 C ATOM 379 CD1 ILE A 23 0.708 -7.438 -19.532 1.00 0.00 C ATOM 0 H ILE A 23 -1.176 -10.496 -16.149 1.00 0.00 H new ATOM 0 HA ILE A 23 0.343 -10.098 -18.610 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.758 -8.717 -17.462 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.029 -8.644 -19.813 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.358 -7.044 -19.179 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.860 -6.534 -16.760 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.329 -7.842 -15.677 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.794 -7.177 -16.887 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.669 -7.043 -20.547 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.059 -6.660 -18.854 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.393 -8.285 -19.498 1.00 0.00 H new ATOM 391 N GLN A 24 1.631 -9.985 -15.713 1.00 0.00 N ATOM 392 CA GLN A 24 2.843 -9.753 -14.937 1.00 0.00 C ATOM 393 C GLN A 24 3.352 -11.053 -14.321 1.00 0.00 C ATOM 394 O GLN A 24 2.760 -11.578 -13.379 1.00 0.00 O ATOM 395 CB GLN A 24 2.581 -8.723 -13.837 1.00 0.00 C ATOM 396 CG GLN A 24 3.691 -8.643 -12.801 1.00 0.00 C ATOM 397 CD GLN A 24 3.204 -8.956 -11.400 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.586 -8.292 -10.435 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.356 -9.970 -11.280 1.00 0.00 N ATOM 0 H GLN A 24 0.961 -10.614 -15.271 1.00 0.00 H new ATOM 0 HA GLN A 24 3.607 -9.367 -15.612 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.450 -7.742 -14.293 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.645 -8.969 -13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.485 -9.340 -13.070 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.126 -7.643 -12.816 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.066 -10.493 -12.106 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.994 -10.226 -10.361 1.00 0.00 H new ATOM 408 N MET A 25 4.453 -11.566 -14.861 1.00 0.00 N ATOM 409 CA MET A 25 5.041 -12.805 -14.364 1.00 0.00 C ATOM 410 C MET A 25 6.481 -12.580 -13.914 1.00 0.00 C ATOM 411 O MET A 25 6.801 -12.714 -12.734 1.00 0.00 O ATOM 412 CB MET A 25 4.995 -13.886 -15.445 1.00 0.00 C ATOM 413 CG MET A 25 3.586 -14.236 -15.896 1.00 0.00 C ATOM 414 SD MET A 25 3.492 -15.852 -16.689 1.00 0.00 S ATOM 415 CE MET A 25 2.467 -16.743 -15.522 1.00 0.00 C ATOM 0 H MET A 25 4.955 -11.144 -15.642 1.00 0.00 H new ATOM 0 HA MET A 25 4.458 -13.136 -13.505 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.571 -13.550 -16.308 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.481 -14.786 -15.068 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.918 -14.219 -15.035 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.231 -13.474 -16.590 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.318 -17.764 -15.874 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.957 -16.763 -14.549 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.501 -16.245 -15.432 1.00 0.00 H new ATOM 425 N ASN A 26 7.346 -12.237 -14.863 1.00 0.00 N ATOM 426 CA ASN A 26 8.753 -11.994 -14.564 1.00 0.00 C ATOM 427 C ASN A 26 9.519 -11.610 -15.826 1.00 0.00 C ATOM 428 O ASN A 26 10.201 -10.586 -15.862 1.00 0.00 O ATOM 429 CB ASN A 26 9.383 -13.236 -13.930 1.00 0.00 C ATOM 430 CG ASN A 26 10.089 -12.925 -12.625 1.00 0.00 C ATOM 431 OD1 ASN A 26 11.279 -13.199 -12.470 1.00 0.00 O ATOM 432 ND2 ASN A 26 9.357 -12.349 -11.679 1.00 0.00 N ATOM 0 H ASN A 26 7.098 -12.121 -15.845 1.00 0.00 H new ATOM 0 HA ASN A 26 8.811 -11.165 -13.859 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.608 -13.982 -13.752 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.095 -13.676 -14.629 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.778 -12.115 -10.780 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.374 -12.140 -11.851 1.00 0.00 H new ATOM 439 N SER A 27 9.401 -12.438 -16.859 1.00 0.00 N ATOM 440 CA SER A 27 10.085 -12.187 -18.122 1.00 0.00 C ATOM 441 C SER A 27 9.791 -10.778 -18.628 1.00 0.00 C ATOM 442 O SER A 27 10.635 -9.887 -18.542 1.00 0.00 O ATOM 443 CB SER A 27 9.660 -13.217 -19.170 1.00 0.00 C ATOM 444 OG SER A 27 10.434 -14.399 -19.066 1.00 0.00 O ATOM 0 H SER A 27 8.838 -13.289 -16.846 1.00 0.00 H new ATOM 0 HA SER A 27 11.158 -12.276 -17.950 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.605 -13.457 -19.041 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.771 -12.792 -20.168 1.00 0.00 H new ATOM 0 HG SER A 27 10.142 -15.042 -19.745 1.00 0.00 H new ATOM 450 N ASN A 28 8.587 -10.585 -19.157 1.00 0.00 N ATOM 451 CA ASN A 28 8.180 -9.285 -19.678 1.00 0.00 C ATOM 452 C ASN A 28 6.675 -9.085 -19.527 1.00 0.00 C ATOM 453 O ASN A 28 5.938 -10.030 -19.246 1.00 0.00 O ATOM 454 CB ASN A 28 8.578 -9.156 -21.150 1.00 0.00 C ATOM 455 CG ASN A 28 9.836 -9.935 -21.480 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.940 -9.544 -21.099 1.00 0.00 O ATOM 457 ND2 ASN A 28 9.675 -11.045 -22.192 1.00 0.00 N ATOM 0 H ASN A 28 7.876 -11.312 -19.236 1.00 0.00 H new ATOM 0 HA ASN A 28 8.690 -8.514 -19.101 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.760 -9.510 -21.777 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.732 -8.104 -21.391 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.485 -11.611 -22.444 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.741 -11.331 -22.486 1.00 0.00 H new ATOM 464 N PHE A 29 6.226 -7.849 -19.716 1.00 0.00 N ATOM 465 CA PHE A 29 4.809 -7.524 -19.600 1.00 0.00 C ATOM 466 C PHE A 29 4.088 -7.757 -20.924 1.00 0.00 C ATOM 467 O PHE A 29 3.076 -8.456 -20.980 1.00 0.00 O ATOM 468 CB PHE A 29 4.632 -6.070 -19.158 1.00 0.00 C ATOM 469 CG PHE A 29 4.348 -5.919 -17.691 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.347 -6.131 -16.754 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.083 -5.566 -17.249 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.088 -5.994 -15.403 1.00 0.00 C ATOM 473 CE2 PHE A 29 2.819 -5.427 -15.900 1.00 0.00 C ATOM 474 CZ PHE A 29 3.823 -5.640 -14.976 1.00 0.00 C ATOM 0 H PHE A 29 6.823 -7.056 -19.950 1.00 0.00 H new ATOM 0 HA PHE A 29 4.371 -8.180 -18.848 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.535 -5.511 -19.404 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.816 -5.623 -19.726 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.338 -6.406 -17.083 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.294 -5.398 -17.967 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.874 -6.164 -14.682 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.829 -5.152 -15.568 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.619 -5.530 -13.921 1.00 0.00 H new ATOM 484 N THR A 30 4.616 -7.164 -21.991 1.00 0.00 N ATOM 485 CA THR A 30 4.023 -7.304 -23.315 1.00 0.00 C ATOM 486 C THR A 30 5.005 -7.939 -24.293 1.00 0.00 C ATOM 487 O THR A 30 4.820 -7.869 -25.508 1.00 0.00 O ATOM 488 CB THR A 30 3.568 -5.943 -23.874 1.00 0.00 C ATOM 489 OG1 THR A 30 2.953 -6.120 -25.155 1.00 0.00 O ATOM 490 CG2 THR A 30 4.746 -4.988 -23.998 1.00 0.00 C ATOM 0 H THR A 30 5.453 -6.582 -21.963 1.00 0.00 H new ATOM 0 HA THR A 30 3.154 -7.952 -23.204 1.00 0.00 H new ATOM 0 HB THR A 30 2.844 -5.514 -23.181 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.557 -6.623 -25.741 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.400 -4.033 -24.395 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.193 -4.832 -23.016 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.490 -5.413 -24.672 1.00 0.00 H new ATOM 498 N LYS A 31 6.050 -8.560 -23.755 1.00 0.00 N ATOM 499 CA LYS A 31 7.062 -9.210 -24.580 1.00 0.00 C ATOM 500 C LYS A 31 7.138 -10.702 -24.272 1.00 0.00 C ATOM 501 O LYS A 31 7.719 -11.474 -25.034 1.00 0.00 O ATOM 502 CB LYS A 31 8.429 -8.560 -24.354 1.00 0.00 C ATOM 503 CG LYS A 31 8.348 -7.164 -23.762 1.00 0.00 C ATOM 504 CD LYS A 31 9.730 -6.586 -23.506 1.00 0.00 C ATOM 505 CE LYS A 31 10.046 -5.450 -24.467 1.00 0.00 C ATOM 506 NZ LYS A 31 10.814 -5.923 -25.651 1.00 0.00 N ATOM 0 H LYS A 31 6.218 -8.627 -22.751 1.00 0.00 H new ATOM 0 HA LYS A 31 6.777 -9.087 -25.625 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.018 -9.193 -23.691 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.961 -8.512 -25.304 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.800 -6.511 -24.441 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.787 -7.196 -22.828 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.789 -6.223 -22.480 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.479 -7.371 -23.610 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.117 -4.986 -24.798 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.618 -4.682 -23.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.010 -5.119 -26.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.712 -6.343 -25.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.258 -6.637 -26.163 1.00 0.00 H new ATOM 520 N ASP A 32 6.548 -11.100 -23.150 1.00 0.00 N ATOM 521 CA ASP A 32 6.547 -12.500 -22.743 1.00 0.00 C ATOM 522 C ASP A 32 5.187 -13.141 -23.000 1.00 0.00 C ATOM 523 O ASP A 32 5.020 -13.910 -23.948 1.00 0.00 O ATOM 524 CB ASP A 32 6.910 -12.623 -21.262 1.00 0.00 C ATOM 525 CG ASP A 32 6.510 -13.963 -20.676 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.115 -14.985 -21.064 1.00 0.00 O ATOM 527 OD2 ASP A 32 5.593 -13.989 -19.829 1.00 0.00 O ATOM 0 H ASP A 32 6.065 -10.473 -22.507 1.00 0.00 H new ATOM 0 HA ASP A 32 7.294 -13.025 -23.338 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.984 -12.483 -21.142 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.420 -11.825 -20.704 1.00 0.00 H new ATOM 532 N LEU A 33 4.217 -12.820 -22.151 1.00 0.00 N ATOM 533 CA LEU A 33 2.871 -13.364 -22.285 1.00 0.00 C ATOM 534 C LEU A 33 2.325 -13.127 -23.690 1.00 0.00 C ATOM 535 O LEU A 33 1.735 -14.020 -24.297 1.00 0.00 O ATOM 536 CB LEU A 33 1.938 -12.733 -21.250 1.00 0.00 C ATOM 537 CG LEU A 33 2.114 -11.232 -21.015 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.797 -10.501 -21.221 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.658 -10.972 -19.618 1.00 0.00 C ATOM 0 H LEU A 33 4.338 -12.185 -21.362 1.00 0.00 H new ATOM 0 HA LEU A 33 2.922 -14.439 -22.111 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.909 -12.914 -21.560 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.080 -13.248 -20.300 1.00 0.00 H new ATOM 0 HG LEU A 33 2.833 -10.852 -21.740 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.942 -9.434 -21.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.448 -10.660 -22.241 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.055 -10.884 -20.520 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.777 -9.899 -19.468 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.963 -11.367 -18.877 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.625 -11.463 -19.507 1.00 0.00 H new ATOM 551 N GLY A 34 2.530 -11.917 -24.202 1.00 0.00 N ATOM 552 CA GLY A 34 2.054 -11.585 -25.532 1.00 0.00 C ATOM 553 C GLY A 34 0.694 -10.916 -25.512 1.00 0.00 C ATOM 554 O GLY A 34 -0.225 -11.341 -26.211 1.00 0.00 O ATOM 0 H GLY A 34 3.017 -11.161 -23.720 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.773 -10.925 -26.017 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.000 -12.493 -26.132 1.00 0.00 H new ATOM 558 N ALA A 35 0.565 -9.867 -24.706 1.00 0.00 N ATOM 559 CA ALA A 35 -0.693 -9.138 -24.597 1.00 0.00 C ATOM 560 C ALA A 35 -0.883 -8.192 -25.778 1.00 0.00 C ATOM 561 O ALA A 35 -1.655 -8.475 -26.695 1.00 0.00 O ATOM 562 CB ALA A 35 -0.744 -8.366 -23.287 1.00 0.00 C ATOM 0 H ALA A 35 1.316 -9.503 -24.119 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.507 -9.863 -24.611 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.689 -7.826 -23.219 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.662 -9.061 -22.452 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.083 -7.656 -23.250 1.00 0.00 H new ATOM 568 N ASP A 36 -0.176 -7.068 -25.750 1.00 0.00 N ATOM 569 CA ASP A 36 -0.267 -6.080 -26.818 1.00 0.00 C ATOM 570 C ASP A 36 0.648 -4.891 -26.539 1.00 0.00 C ATOM 571 O ASP A 36 0.672 -4.316 -25.453 1.00 0.00 O ATOM 572 CB ASP A 36 -1.711 -5.601 -26.978 1.00 0.00 C ATOM 573 CG ASP A 36 -2.267 -5.892 -28.358 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.697 -7.041 -28.595 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.275 -4.971 -29.201 1.00 0.00 O ATOM 0 H ASP A 36 0.467 -6.818 -24.999 1.00 0.00 H new ATOM 0 HA ASP A 36 0.055 -6.554 -27.745 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.337 -6.085 -26.228 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.758 -4.529 -26.789 1.00 0.00 H new ATOM 580 N SER A 37 1.439 -4.500 -27.553 1.00 0.00 N ATOM 581 CA SER A 37 2.412 -3.385 -27.522 1.00 0.00 C ATOM 582 C SER A 37 1.777 -2.055 -27.082 1.00 0.00 C ATOM 583 O SER A 37 2.249 -1.384 -26.163 1.00 0.00 O ATOM 584 CB SER A 37 3.027 -3.285 -28.927 1.00 0.00 C ATOM 585 OG SER A 37 2.049 -2.890 -29.890 1.00 0.00 O ATOM 0 H SER A 37 1.420 -4.971 -28.458 1.00 0.00 H new ATOM 0 HA SER A 37 3.181 -3.588 -26.777 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.845 -2.565 -28.919 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.453 -4.248 -29.210 1.00 0.00 H new ATOM 590 N LEU A 38 0.696 -1.689 -27.762 1.00 0.00 N ATOM 591 CA LEU A 38 -0.015 -0.452 -27.461 1.00 0.00 C ATOM 592 C LEU A 38 -0.650 -0.511 -26.075 1.00 0.00 C ATOM 593 O LEU A 38 -0.610 0.461 -25.321 1.00 0.00 O ATOM 594 CB LEU A 38 -1.091 -0.189 -28.516 1.00 0.00 C ATOM 595 CG LEU A 38 -0.713 -0.526 -29.959 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.230 -1.905 -30.338 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.255 0.530 -30.912 1.00 0.00 C ATOM 0 H LEU A 38 0.293 -2.232 -28.526 1.00 0.00 H new ATOM 0 HA LEU A 38 0.707 0.365 -27.475 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.979 -0.762 -28.251 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.366 0.865 -28.470 1.00 0.00 H new ATOM 0 HG LEU A 38 0.374 -0.534 -30.038 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.952 -2.128 -31.368 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.794 -2.652 -29.675 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.316 -1.925 -30.243 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.977 0.275 -31.934 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.341 0.570 -30.831 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.836 1.502 -30.654 1.00 0.00 H new ATOM 609 N ASP A 39 -1.232 -1.659 -25.745 1.00 0.00 N ATOM 610 CA ASP A 39 -1.872 -1.847 -24.449 1.00 0.00 C ATOM 611 C ASP A 39 -0.904 -1.525 -23.314 1.00 0.00 C ATOM 612 O ASP A 39 -1.224 -0.749 -22.413 1.00 0.00 O ATOM 613 CB ASP A 39 -2.380 -3.283 -24.310 1.00 0.00 C ATOM 614 CG ASP A 39 -3.816 -3.435 -24.772 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.609 -2.492 -24.567 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.147 -4.497 -25.339 1.00 0.00 O ATOM 0 H ASP A 39 -1.273 -2.473 -26.358 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.718 -1.163 -24.387 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.742 -3.949 -24.891 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.301 -3.594 -23.268 1.00 0.00 H new ATOM 621 N LEU A 40 0.279 -2.128 -23.363 1.00 0.00 N ATOM 622 CA LEU A 40 1.293 -1.907 -22.338 1.00 0.00 C ATOM 623 C LEU A 40 1.739 -0.448 -22.319 1.00 0.00 C ATOM 624 O LEU A 40 1.988 0.123 -21.257 1.00 0.00 O ATOM 625 CB LEU A 40 2.498 -2.817 -22.581 1.00 0.00 C ATOM 626 CG LEU A 40 2.934 -3.683 -21.399 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.384 -2.812 -20.236 1.00 0.00 C ATOM 628 CD2 LEU A 40 1.803 -4.607 -20.969 1.00 0.00 C ATOM 0 H LEU A 40 0.559 -2.773 -24.101 1.00 0.00 H new ATOM 0 HA LEU A 40 0.854 -2.146 -21.369 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.269 -3.473 -23.421 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.342 -2.196 -22.882 1.00 0.00 H new ATOM 0 HG LEU A 40 3.778 -4.296 -21.715 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.691 -3.446 -19.404 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.224 -2.193 -20.549 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.560 -2.172 -19.920 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.131 -5.216 -20.127 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.940 -4.012 -20.672 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.527 -5.256 -21.800 1.00 0.00 H new ATOM 640 N VAL A 41 1.837 0.151 -23.502 1.00 0.00 N ATOM 641 CA VAL A 41 2.249 1.544 -23.622 1.00 0.00 C ATOM 642 C VAL A 41 1.198 2.481 -23.036 1.00 0.00 C ATOM 643 O VAL A 41 1.518 3.574 -22.571 1.00 0.00 O ATOM 644 CB VAL A 41 2.503 1.930 -25.091 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.815 3.415 -25.207 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.632 1.093 -25.674 1.00 0.00 C ATOM 0 H VAL A 41 1.636 -0.307 -24.391 1.00 0.00 H new ATOM 0 HA VAL A 41 3.178 1.648 -23.061 1.00 0.00 H new ATOM 0 HB VAL A 41 1.598 1.727 -25.663 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.992 3.669 -26.252 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.972 3.994 -24.830 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.705 3.647 -24.622 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.798 1.379 -26.713 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.544 1.262 -25.101 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.364 0.037 -25.627 1.00 0.00 H new ATOM 656 N GLU A 42 -0.057 2.043 -23.063 1.00 0.00 N ATOM 657 CA GLU A 42 -1.155 2.844 -22.534 1.00 0.00 C ATOM 658 C GLU A 42 -1.110 2.891 -21.010 1.00 0.00 C ATOM 659 O GLU A 42 -0.930 3.954 -20.415 1.00 0.00 O ATOM 660 CB GLU A 42 -2.499 2.276 -22.999 1.00 0.00 C ATOM 661 CG GLU A 42 -2.830 2.603 -24.445 1.00 0.00 C ATOM 662 CD GLU A 42 -3.959 3.607 -24.573 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.779 4.761 -24.128 1.00 0.00 O ATOM 664 OE2 GLU A 42 -5.022 3.240 -25.116 1.00 0.00 O ATOM 0 H GLU A 42 -0.338 1.140 -23.445 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.046 3.860 -22.914 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.489 1.193 -22.873 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.290 2.665 -22.357 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.941 2.997 -24.937 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.103 1.686 -24.967 1.00 0.00 H new ATOM 671 N LEU A 43 -1.277 1.731 -20.383 1.00 0.00 N ATOM 672 CA LEU A 43 -1.256 1.638 -18.928 1.00 0.00 C ATOM 673 C LEU A 43 0.004 2.282 -18.359 1.00 0.00 C ATOM 674 O LEU A 43 -0.046 2.977 -17.343 1.00 0.00 O ATOM 675 CB LEU A 43 -1.337 0.175 -18.489 1.00 0.00 C ATOM 676 CG LEU A 43 -0.247 -0.750 -19.032 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.831 -0.977 -17.983 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.846 -2.075 -19.479 1.00 0.00 C ATOM 0 H LEU A 43 -1.428 0.842 -20.860 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.122 2.175 -18.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.305 0.141 -17.400 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.306 -0.221 -18.792 1.00 0.00 H new ATOM 0 HG LEU A 43 0.212 -0.271 -19.897 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.598 -1.638 -18.387 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.281 -0.022 -17.711 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.387 -1.434 -17.099 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.056 -2.721 -19.862 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.331 -2.559 -18.632 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.581 -1.896 -20.264 1.00 0.00 H new ATOM 690 N ILE A 44 1.132 2.049 -19.021 1.00 0.00 N ATOM 691 CA ILE A 44 2.405 2.609 -18.583 1.00 0.00 C ATOM 692 C ILE A 44 2.367 4.134 -18.596 1.00 0.00 C ATOM 693 O ILE A 44 2.795 4.783 -17.641 1.00 0.00 O ATOM 694 CB ILE A 44 3.567 2.128 -19.472 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.888 0.661 -19.180 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.796 2.998 -19.253 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.829 0.036 -20.186 1.00 0.00 C ATOM 0 H ILE A 44 1.191 1.476 -19.863 1.00 0.00 H new ATOM 0 HA ILE A 44 2.570 2.260 -17.564 1.00 0.00 H new ATOM 0 HB ILE A 44 3.266 2.214 -20.516 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.329 0.585 -18.186 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.959 0.091 -19.161 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.609 2.646 -19.888 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.560 4.032 -19.506 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.101 2.941 -18.208 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.012 -1.004 -19.916 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.381 0.080 -21.179 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.773 0.581 -20.189 1.00 0.00 H new ATOM 709 N MET A 45 1.852 4.699 -19.682 1.00 0.00 N ATOM 710 CA MET A 45 1.755 6.147 -19.817 1.00 0.00 C ATOM 711 C MET A 45 1.017 6.756 -18.630 1.00 0.00 C ATOM 712 O MET A 45 1.310 7.877 -18.213 1.00 0.00 O ATOM 713 CB MET A 45 1.040 6.513 -21.119 1.00 0.00 C ATOM 714 CG MET A 45 -0.405 6.939 -20.920 1.00 0.00 C ATOM 715 SD MET A 45 -1.305 7.092 -22.475 1.00 0.00 S ATOM 716 CE MET A 45 -0.668 8.651 -23.083 1.00 0.00 C ATOM 0 H MET A 45 1.495 4.176 -20.482 1.00 0.00 H new ATOM 0 HA MET A 45 2.766 6.553 -19.840 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.584 7.321 -21.608 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.068 5.656 -21.792 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.909 6.213 -20.283 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.429 7.894 -20.395 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.131 8.884 -24.042 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.896 9.441 -22.368 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.412 8.578 -23.210 1.00 0.00 H new ATOM 726 N ALA A 46 0.059 6.011 -18.089 1.00 0.00 N ATOM 727 CA ALA A 46 -0.720 6.477 -16.948 1.00 0.00 C ATOM 728 C ALA A 46 0.105 6.433 -15.666 1.00 0.00 C ATOM 729 O ALA A 46 0.051 7.354 -14.850 1.00 0.00 O ATOM 730 CB ALA A 46 -1.983 5.643 -16.795 1.00 0.00 C ATOM 0 H ALA A 46 -0.197 5.082 -18.423 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.003 7.513 -17.131 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.555 6.002 -15.939 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.588 5.730 -17.698 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.713 4.599 -16.638 1.00 0.00 H new ATOM 736 N LEU A 47 0.866 5.359 -15.495 1.00 0.00 N ATOM 737 CA LEU A 47 1.703 5.194 -14.311 1.00 0.00 C ATOM 738 C LEU A 47 2.636 6.388 -14.134 1.00 0.00 C ATOM 739 O LEU A 47 2.629 7.044 -13.093 1.00 0.00 O ATOM 740 CB LEU A 47 2.518 3.905 -14.413 1.00 0.00 C ATOM 741 CG LEU A 47 2.559 3.034 -13.157 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.312 1.741 -13.427 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.196 3.793 -12.002 1.00 0.00 C ATOM 0 H LEU A 47 0.921 4.588 -16.161 1.00 0.00 H new ATOM 0 HA LEU A 47 1.050 5.134 -13.440 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.115 3.308 -15.231 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.541 4.166 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 47 1.535 2.782 -12.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.330 1.135 -12.521 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.813 1.189 -14.223 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.333 1.971 -13.730 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.217 3.158 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.214 4.076 -12.270 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.614 4.690 -11.791 1.00 0.00 H new ATOM 755 N GLU A 48 3.437 6.663 -15.159 1.00 0.00 N ATOM 756 CA GLU A 48 4.376 7.778 -15.116 1.00 0.00 C ATOM 757 C GLU A 48 3.637 9.104 -14.960 1.00 0.00 C ATOM 758 O GLU A 48 4.038 9.960 -14.171 1.00 0.00 O ATOM 759 CB GLU A 48 5.230 7.804 -16.385 1.00 0.00 C ATOM 760 CG GLU A 48 4.416 7.852 -17.666 1.00 0.00 C ATOM 761 CD GLU A 48 4.269 9.260 -18.211 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.226 10.050 -18.077 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.197 9.571 -18.770 1.00 0.00 O ATOM 0 H GLU A 48 3.454 6.130 -16.028 1.00 0.00 H new ATOM 0 HA GLU A 48 5.026 7.639 -14.252 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.890 8.671 -16.351 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.867 6.920 -16.402 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.892 7.223 -18.418 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.427 7.433 -17.480 1.00 0.00 H new ATOM 770 N GLU A 49 2.558 9.267 -15.718 1.00 0.00 N ATOM 771 CA GLU A 49 1.765 10.489 -15.666 1.00 0.00 C ATOM 772 C GLU A 49 1.379 10.826 -14.228 1.00 0.00 C ATOM 773 O GLU A 49 1.278 11.996 -13.858 1.00 0.00 O ATOM 774 CB GLU A 49 0.505 10.344 -16.522 1.00 0.00 C ATOM 775 CG GLU A 49 -0.279 11.637 -16.676 1.00 0.00 C ATOM 776 CD GLU A 49 -1.655 11.416 -17.272 1.00 0.00 C ATOM 777 OE1 GLU A 49 -2.444 10.650 -16.680 1.00 0.00 O ATOM 778 OE2 GLU A 49 -1.944 12.011 -18.332 1.00 0.00 O ATOM 0 H GLU A 49 2.213 8.568 -16.376 1.00 0.00 H new ATOM 0 HA GLU A 49 2.373 11.302 -16.062 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.787 9.980 -17.510 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.142 9.588 -16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.381 12.114 -15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.281 12.324 -17.310 1.00 0.00 H new ATOM 785 N LYS A 50 1.165 9.792 -13.421 1.00 0.00 N ATOM 786 CA LYS A 50 0.792 9.975 -12.024 1.00 0.00 C ATOM 787 C LYS A 50 2.026 10.202 -11.156 1.00 0.00 C ATOM 788 O LYS A 50 2.037 11.079 -10.292 1.00 0.00 O ATOM 789 CB LYS A 50 0.016 8.757 -11.518 1.00 0.00 C ATOM 790 CG LYS A 50 -0.309 8.816 -10.035 1.00 0.00 C ATOM 791 CD LYS A 50 -0.921 7.514 -9.547 1.00 0.00 C ATOM 792 CE LYS A 50 -1.443 7.643 -8.124 1.00 0.00 C ATOM 793 NZ LYS A 50 -2.500 8.686 -8.013 1.00 0.00 N ATOM 0 H LYS A 50 1.244 8.817 -13.712 1.00 0.00 H new ATOM 0 HA LYS A 50 0.155 10.857 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.913 8.669 -12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.598 7.857 -11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.599 9.026 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.000 9.638 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.736 7.223 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.175 6.721 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.843 6.684 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.618 7.889 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.304 8.309 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.115 9.520 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.820 8.959 -8.964 1.00 0.00 H new ATOM 807 N PHE A 51 3.064 9.406 -11.392 1.00 0.00 N ATOM 808 CA PHE A 51 4.303 9.520 -10.632 1.00 0.00 C ATOM 809 C PHE A 51 4.994 10.851 -10.915 1.00 0.00 C ATOM 810 O PHE A 51 5.893 11.263 -10.184 1.00 0.00 O ATOM 811 CB PHE A 51 5.243 8.362 -10.972 1.00 0.00 C ATOM 812 CG PHE A 51 5.168 7.223 -9.997 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.267 7.452 -8.634 1.00 0.00 C ATOM 814 CD2 PHE A 51 4.999 5.922 -10.443 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.198 6.406 -7.733 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.929 4.872 -9.547 1.00 0.00 C ATOM 817 CZ PHE A 51 5.030 5.114 -8.191 1.00 0.00 C ATOM 0 H PHE A 51 3.071 8.675 -12.104 1.00 0.00 H new ATOM 0 HA PHE A 51 4.055 9.478 -9.571 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.005 7.992 -11.969 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.267 8.734 -11.006 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.400 8.460 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.921 5.726 -11.502 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.275 6.599 -6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.795 3.863 -9.907 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.978 4.294 -7.490 1.00 0.00 H new ATOM 827 N ASN A 52 4.567 11.518 -11.983 1.00 0.00 N ATOM 828 CA ASN A 52 5.144 12.801 -12.364 1.00 0.00 C ATOM 829 C ASN A 52 6.588 12.632 -12.826 1.00 0.00 C ATOM 830 O ASN A 52 7.465 13.414 -12.457 1.00 0.00 O ATOM 831 CB ASN A 52 5.084 13.780 -11.189 1.00 0.00 C ATOM 832 CG ASN A 52 5.263 15.221 -11.628 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.317 15.820 -11.416 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.230 15.784 -12.243 1.00 0.00 N ATOM 0 H ASN A 52 3.823 11.190 -12.599 1.00 0.00 H new ATOM 0 HA ASN A 52 4.560 13.202 -13.193 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.126 13.674 -10.680 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.859 13.524 -10.466 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.291 16.751 -12.561 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.375 15.249 -12.398 1.00 0.00 H new ATOM 841 N VAL A 53 6.828 11.606 -13.636 1.00 0.00 N ATOM 842 CA VAL A 53 8.165 11.335 -14.151 1.00 0.00 C ATOM 843 C VAL A 53 8.204 11.452 -15.670 1.00 0.00 C ATOM 844 O VAL A 53 7.180 11.689 -16.312 1.00 0.00 O ATOM 845 CB VAL A 53 8.649 9.930 -13.743 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.475 10.000 -12.468 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.467 8.989 -13.571 1.00 0.00 C ATOM 0 H VAL A 53 6.114 10.949 -13.950 1.00 0.00 H new ATOM 0 HA VAL A 53 8.829 12.082 -13.715 1.00 0.00 H new ATOM 0 HB VAL A 53 9.284 9.538 -14.538 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.808 8.999 -12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.343 10.639 -12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.867 10.412 -11.663 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.827 8.001 -13.283 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.805 9.374 -12.796 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.920 8.916 -14.511 1.00 0.00 H new ATOM 857 N THR A 54 9.393 11.284 -16.241 1.00 0.00 N ATOM 858 CA THR A 54 9.566 11.371 -17.686 1.00 0.00 C ATOM 859 C THR A 54 10.240 10.120 -18.236 1.00 0.00 C ATOM 860 O THR A 54 11.467 10.045 -18.306 1.00 0.00 O ATOM 861 CB THR A 54 10.400 12.605 -18.078 1.00 0.00 C ATOM 862 OG1 THR A 54 9.821 13.787 -17.515 1.00 0.00 O ATOM 863 CG2 THR A 54 10.482 12.745 -19.590 1.00 0.00 C ATOM 0 H THR A 54 10.250 11.087 -15.725 1.00 0.00 H new ATOM 0 HA THR A 54 8.570 11.462 -18.119 1.00 0.00 H new ATOM 0 HB THR A 54 11.409 12.473 -17.686 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.358 14.567 -17.768 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.076 13.623 -19.842 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.951 11.856 -20.013 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.478 12.856 -20.000 1.00 0.00 H new ATOM 871 N ILE A 55 9.432 9.140 -18.625 1.00 0.00 N ATOM 872 CA ILE A 55 9.952 7.892 -19.170 1.00 0.00 C ATOM 873 C ILE A 55 9.202 7.491 -20.436 1.00 0.00 C ATOM 874 O ILE A 55 8.164 8.065 -20.763 1.00 0.00 O ATOM 875 CB ILE A 55 9.857 6.747 -18.145 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.797 7.309 -16.723 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.038 5.800 -18.297 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.398 7.671 -16.275 1.00 0.00 C ATOM 0 H ILE A 55 8.414 9.186 -18.573 1.00 0.00 H new ATOM 0 HA ILE A 55 11.001 8.065 -19.411 1.00 0.00 H new ATOM 0 HB ILE A 55 8.941 6.187 -18.333 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.212 6.575 -16.033 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.429 8.195 -16.664 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.956 4.996 -17.565 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.039 5.378 -19.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.966 6.347 -18.133 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.431 8.063 -15.258 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.987 8.429 -16.942 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.766 6.783 -16.301 1.00 0.00 H new ATOM 890 N SER A 56 9.734 6.499 -21.143 1.00 0.00 N ATOM 891 CA SER A 56 9.117 6.021 -22.374 1.00 0.00 C ATOM 892 C SER A 56 9.945 4.902 -22.998 1.00 0.00 C ATOM 893 O SER A 56 9.588 3.727 -22.909 1.00 0.00 O ATOM 894 CB SER A 56 8.959 7.171 -23.371 1.00 0.00 C ATOM 895 OG SER A 56 7.638 7.682 -23.355 1.00 0.00 O ATOM 0 H SER A 56 10.591 6.011 -20.884 1.00 0.00 H new ATOM 0 HA SER A 56 8.132 5.626 -22.127 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.663 7.967 -23.128 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.206 6.823 -24.374 1.00 0.00 H new ATOM 0 HG SER A 56 7.411 7.972 -22.447 1.00 0.00 H new ATOM 901 N ASP A 57 11.051 5.276 -23.631 1.00 0.00 N ATOM 902 CA ASP A 57 11.932 4.305 -24.270 1.00 0.00 C ATOM 903 C ASP A 57 12.543 3.363 -23.237 1.00 0.00 C ATOM 904 O ASP A 57 13.070 2.306 -23.583 1.00 0.00 O ATOM 905 CB ASP A 57 13.041 5.021 -25.043 1.00 0.00 C ATOM 906 CG ASP A 57 13.913 4.061 -25.827 1.00 0.00 C ATOM 907 OD1 ASP A 57 13.428 3.508 -26.837 1.00 0.00 O ATOM 908 OD2 ASP A 57 15.081 3.863 -25.432 1.00 0.00 O ATOM 0 H ASP A 57 11.359 6.245 -23.716 1.00 0.00 H new ATOM 0 HA ASP A 57 11.336 3.715 -24.967 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.595 5.743 -25.727 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.661 5.583 -24.345 1.00 0.00 H new ATOM 913 N GLN A 58 12.467 3.754 -21.969 1.00 0.00 N ATOM 914 CA GLN A 58 13.014 2.944 -20.887 1.00 0.00 C ATOM 915 C GLN A 58 11.902 2.231 -20.125 1.00 0.00 C ATOM 916 O GLN A 58 12.047 1.072 -19.736 1.00 0.00 O ATOM 917 CB GLN A 58 13.826 3.818 -19.928 1.00 0.00 C ATOM 918 CG GLN A 58 14.900 4.642 -20.619 1.00 0.00 C ATOM 919 CD GLN A 58 16.088 3.806 -21.055 1.00 0.00 C ATOM 920 OE1 GLN A 58 17.157 3.862 -20.447 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.905 3.024 -22.112 1.00 0.00 N ATOM 0 H GLN A 58 12.033 4.626 -21.666 1.00 0.00 H new ATOM 0 HA GLN A 58 13.669 2.191 -21.326 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.149 4.489 -19.399 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.295 3.181 -19.178 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.469 5.136 -21.490 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.241 5.427 -19.944 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.002 3.009 -22.585 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.668 2.438 -22.451 1.00 0.00 H new ATOM 930 N ASP A 59 10.793 2.931 -19.914 1.00 0.00 N ATOM 931 CA ASP A 59 9.655 2.364 -19.199 1.00 0.00 C ATOM 932 C ASP A 59 9.277 1.002 -19.772 1.00 0.00 C ATOM 933 O ASP A 59 9.410 -0.022 -19.103 1.00 0.00 O ATOM 934 CB ASP A 59 8.457 3.312 -19.271 1.00 0.00 C ATOM 935 CG ASP A 59 8.089 3.884 -17.916 1.00 0.00 C ATOM 936 OD1 ASP A 59 8.984 3.981 -17.050 1.00 0.00 O ATOM 937 OD2 ASP A 59 6.907 4.235 -17.722 1.00 0.00 O ATOM 0 H ASP A 59 10.658 3.892 -20.228 1.00 0.00 H new ATOM 0 HA ASP A 59 9.942 2.232 -18.156 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.684 4.128 -19.957 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.600 2.779 -19.682 1.00 0.00 H new ATOM 942 N ALA A 60 8.805 0.998 -21.014 1.00 0.00 N ATOM 943 CA ALA A 60 8.409 -0.238 -21.678 1.00 0.00 C ATOM 944 C ALA A 60 9.556 -1.242 -21.697 1.00 0.00 C ATOM 945 O ALA A 60 9.339 -2.446 -21.841 1.00 0.00 O ATOM 946 CB ALA A 60 7.934 0.052 -23.094 1.00 0.00 C ATOM 0 H ALA A 60 8.687 1.838 -21.581 1.00 0.00 H new ATOM 0 HA ALA A 60 7.586 -0.677 -21.114 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.642 -0.880 -23.578 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.079 0.727 -23.060 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.741 0.517 -23.660 1.00 0.00 H new ATOM 952 N LEU A 61 10.778 -0.741 -21.553 1.00 0.00 N ATOM 953 CA LEU A 61 11.961 -1.595 -21.554 1.00 0.00 C ATOM 954 C LEU A 61 12.518 -1.756 -20.144 1.00 0.00 C ATOM 955 O LEU A 61 13.703 -2.036 -19.960 1.00 0.00 O ATOM 956 CB LEU A 61 13.034 -1.011 -22.475 1.00 0.00 C ATOM 957 CG LEU A 61 12.811 -1.209 -23.975 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.740 -0.310 -24.775 1.00 0.00 C ATOM 959 CD2 LEU A 61 13.017 -2.667 -24.357 1.00 0.00 C ATOM 0 H LEU A 61 10.976 0.253 -21.434 1.00 0.00 H new ATOM 0 HA LEU A 61 11.669 -2.578 -21.923 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.111 0.058 -22.277 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.993 -1.455 -22.209 1.00 0.00 H new ATOM 0 HG LEU A 61 11.782 -0.935 -24.210 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.567 -0.464 -25.840 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.544 0.732 -24.523 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.776 -0.552 -24.536 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.854 -2.789 -25.428 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.035 -2.968 -24.108 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.310 -3.290 -23.809 1.00 0.00 H new ATOM 971 N LYS A 62 11.655 -1.580 -19.149 1.00 0.00 N ATOM 972 CA LYS A 62 12.059 -1.709 -17.753 1.00 0.00 C ATOM 973 C LYS A 62 10.956 -2.363 -16.927 1.00 0.00 C ATOM 974 O LYS A 62 11.174 -3.394 -16.289 1.00 0.00 O ATOM 975 CB LYS A 62 12.402 -0.336 -17.171 1.00 0.00 C ATOM 976 CG LYS A 62 13.824 0.110 -17.463 1.00 0.00 C ATOM 977 CD LYS A 62 14.282 1.183 -16.489 1.00 0.00 C ATOM 978 CE LYS A 62 13.604 2.515 -16.768 1.00 0.00 C ATOM 979 NZ LYS A 62 14.573 3.646 -16.747 1.00 0.00 N ATOM 0 H LYS A 62 10.671 -1.348 -19.283 1.00 0.00 H new ATOM 0 HA LYS A 62 12.944 -2.344 -17.713 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.709 0.403 -17.572 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.252 -0.360 -16.092 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.495 -0.747 -17.404 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.885 0.492 -18.482 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.062 0.868 -15.469 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.363 1.302 -16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.113 2.476 -17.740 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.826 2.689 -16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.116 4.502 -17.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.884 3.818 -15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.397 3.408 -17.336 1.00 0.00 H new ATOM 993 N ILE A 63 9.773 -1.758 -16.943 1.00 0.00 N ATOM 994 CA ILE A 63 8.637 -2.284 -16.197 1.00 0.00 C ATOM 995 C ILE A 63 8.340 -3.727 -16.591 1.00 0.00 C ATOM 996 O ILE A 63 7.751 -4.483 -15.820 1.00 0.00 O ATOM 997 CB ILE A 63 7.373 -1.432 -16.421 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.540 -0.054 -15.777 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.150 -2.141 -15.859 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.185 0.965 -16.690 1.00 0.00 C ATOM 0 H ILE A 63 9.577 -0.904 -17.464 1.00 0.00 H new ATOM 0 HA ILE A 63 8.908 -2.247 -15.142 1.00 0.00 H new ATOM 0 HB ILE A 63 7.229 -1.296 -17.493 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.562 0.315 -15.468 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.143 -0.154 -14.874 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.265 -1.527 -16.025 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.024 -3.101 -16.359 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.283 -2.304 -14.790 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.272 1.918 -16.168 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.177 0.618 -16.979 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.572 1.094 -17.582 1.00 0.00 H new ATOM 1012 N ASN A 64 8.754 -4.102 -17.797 1.00 0.00 N ATOM 1013 CA ASN A 64 8.534 -5.455 -18.294 1.00 0.00 C ATOM 1014 C ASN A 64 8.916 -6.491 -17.240 1.00 0.00 C ATOM 1015 O ASN A 64 8.286 -7.543 -17.129 1.00 0.00 O ATOM 1016 CB ASN A 64 9.341 -5.690 -19.572 1.00 0.00 C ATOM 1017 CG ASN A 64 10.791 -6.031 -19.286 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.265 -7.114 -19.630 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.502 -5.106 -18.652 1.00 0.00 N ATOM 0 H ASN A 64 9.244 -3.488 -18.448 1.00 0.00 H new ATOM 0 HA ASN A 64 7.473 -5.564 -18.518 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.886 -6.500 -20.142 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.297 -4.797 -20.196 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.483 -5.279 -18.431 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.068 -4.222 -18.386 1.00 0.00 H new ATOM 1026 N THR A 65 9.954 -6.185 -16.467 1.00 0.00 N ATOM 1027 CA THR A 65 10.422 -7.088 -15.424 1.00 0.00 C ATOM 1028 C THR A 65 10.153 -6.513 -14.038 1.00 0.00 C ATOM 1029 O THR A 65 10.487 -5.361 -13.757 1.00 0.00 O ATOM 1030 CB THR A 65 11.928 -7.377 -15.564 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.686 -6.225 -15.177 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.275 -7.760 -16.995 1.00 0.00 C ATOM 0 H THR A 65 10.486 -5.318 -16.544 1.00 0.00 H new ATOM 0 HA THR A 65 9.869 -8.020 -15.542 1.00 0.00 H new ATOM 0 HB THR A 65 12.177 -8.213 -14.910 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.643 -6.417 -15.268 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.344 -7.959 -17.069 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.719 -8.654 -17.278 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.011 -6.942 -17.665 1.00 0.00 H new ATOM 1040 N VAL A 66 9.549 -7.322 -13.173 1.00 0.00 N ATOM 1041 CA VAL A 66 9.238 -6.893 -11.815 1.00 0.00 C ATOM 1042 C VAL A 66 10.455 -6.269 -11.143 1.00 0.00 C ATOM 1043 O VAL A 66 10.322 -5.439 -10.243 1.00 0.00 O ATOM 1044 CB VAL A 66 8.738 -8.070 -10.956 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.545 -7.633 -9.512 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.447 -8.636 -11.527 1.00 0.00 C ATOM 0 H VAL A 66 9.266 -8.278 -13.389 1.00 0.00 H new ATOM 0 HA VAL A 66 8.447 -6.147 -11.892 1.00 0.00 H new ATOM 0 HB VAL A 66 9.492 -8.857 -10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.192 -8.478 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.494 -7.279 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.811 -6.828 -9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.108 -9.467 -10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.683 -7.858 -11.540 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.623 -8.989 -12.543 1.00 0.00 H new ATOM 1056 N GLN A 67 11.641 -6.673 -11.586 1.00 0.00 N ATOM 1057 CA GLN A 67 12.883 -6.152 -11.026 1.00 0.00 C ATOM 1058 C GLN A 67 13.100 -4.700 -11.440 1.00 0.00 C ATOM 1059 O GLN A 67 13.196 -3.811 -10.594 1.00 0.00 O ATOM 1060 CB GLN A 67 14.069 -7.007 -11.479 1.00 0.00 C ATOM 1061 CG GLN A 67 15.111 -7.225 -10.394 1.00 0.00 C ATOM 1062 CD GLN A 67 15.928 -5.980 -10.110 1.00 0.00 C ATOM 1063 OE1 GLN A 67 17.028 -5.812 -10.639 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.394 -5.099 -9.273 1.00 0.00 N ATOM 0 H GLN A 67 11.768 -7.359 -12.330 1.00 0.00 H new ATOM 0 HA GLN A 67 12.808 -6.193 -9.939 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.700 -7.975 -11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.544 -6.530 -12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.615 -7.546 -9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.779 -8.032 -10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.480 -5.279 -8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.898 -4.242 -9.045 1.00 0.00 H new ATOM 1073 N ASP A 68 13.177 -4.468 -12.746 1.00 0.00 N ATOM 1074 CA ASP A 68 13.382 -3.123 -13.272 1.00 0.00 C ATOM 1075 C ASP A 68 12.183 -2.231 -12.966 1.00 0.00 C ATOM 1076 O ASP A 68 12.324 -1.019 -12.809 1.00 0.00 O ATOM 1077 CB ASP A 68 13.624 -3.175 -14.782 1.00 0.00 C ATOM 1078 CG ASP A 68 15.089 -3.348 -15.128 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.570 -4.501 -15.119 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.756 -2.330 -15.410 1.00 0.00 O ATOM 0 H ASP A 68 13.101 -5.193 -13.459 1.00 0.00 H new ATOM 0 HA ASP A 68 14.260 -2.699 -12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.053 -3.999 -15.210 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.252 -2.258 -15.238 1.00 0.00 H new ATOM 1085 N ALA A 69 11.005 -2.840 -12.884 1.00 0.00 N ATOM 1086 CA ALA A 69 9.782 -2.101 -12.596 1.00 0.00 C ATOM 1087 C ALA A 69 9.849 -1.442 -11.223 1.00 0.00 C ATOM 1088 O ALA A 69 9.832 -0.215 -11.112 1.00 0.00 O ATOM 1089 CB ALA A 69 8.575 -3.024 -12.682 1.00 0.00 C ATOM 0 H ALA A 69 10.872 -3.843 -13.013 1.00 0.00 H new ATOM 0 HA ALA A 69 9.678 -1.314 -13.343 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.669 -2.459 -12.465 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.509 -3.444 -13.686 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.682 -3.831 -11.957 1.00 0.00 H new ATOM 1095 N ILE A 70 9.926 -2.262 -10.181 1.00 0.00 N ATOM 1096 CA ILE A 70 9.996 -1.757 -8.815 1.00 0.00 C ATOM 1097 C ILE A 70 11.218 -0.866 -8.621 1.00 0.00 C ATOM 1098 O ILE A 70 11.227 0.013 -7.759 1.00 0.00 O ATOM 1099 CB ILE A 70 10.045 -2.907 -7.792 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.365 -3.672 -7.915 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.863 -3.844 -7.990 1.00 0.00 C ATOM 1102 CD1 ILE A 70 12.442 -3.173 -6.977 1.00 0.00 C ATOM 0 H ILE A 70 9.942 -3.279 -10.256 1.00 0.00 H new ATOM 0 HA ILE A 70 9.092 -1.171 -8.648 1.00 0.00 H new ATOM 0 HB ILE A 70 9.984 -2.484 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.183 -4.728 -7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.725 -3.597 -8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.912 -4.651 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.934 -3.290 -7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.895 -4.263 -8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.349 -3.761 -7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.652 -2.125 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.102 -3.274 -5.946 1.00 0.00 H new ATOM 1114 N ASP A 71 12.246 -1.097 -9.429 1.00 0.00 N ATOM 1115 CA ASP A 71 13.473 -0.313 -9.349 1.00 0.00 C ATOM 1116 C ASP A 71 13.317 1.017 -10.081 1.00 0.00 C ATOM 1117 O ASP A 71 14.026 1.982 -9.793 1.00 0.00 O ATOM 1118 CB ASP A 71 14.646 -1.099 -9.938 1.00 0.00 C ATOM 1119 CG ASP A 71 15.874 -0.236 -10.147 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.415 0.279 -9.147 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.295 -0.074 -11.313 1.00 0.00 O ATOM 0 H ASP A 71 12.254 -1.821 -10.147 1.00 0.00 H new ATOM 0 HA ASP A 71 13.675 -0.107 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.896 -1.926 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.346 -1.535 -10.891 1.00 0.00 H new ATOM 1126 N TYR A 72 12.387 1.060 -11.028 1.00 0.00 N ATOM 1127 CA TYR A 72 12.141 2.269 -11.803 1.00 0.00 C ATOM 1128 C TYR A 72 11.305 3.266 -11.007 1.00 0.00 C ATOM 1129 O TYR A 72 11.483 4.479 -11.127 1.00 0.00 O ATOM 1130 CB TYR A 72 11.431 1.925 -13.114 1.00 0.00 C ATOM 1131 CG TYR A 72 10.211 2.776 -13.384 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.339 4.096 -13.799 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.931 2.260 -13.226 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.227 4.877 -14.047 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.813 3.034 -13.472 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.967 4.342 -13.882 1.00 0.00 C ATOM 1137 OH TYR A 72 6.857 5.117 -14.129 1.00 0.00 O ATOM 0 H TYR A 72 11.791 0.271 -11.277 1.00 0.00 H new ATOM 0 HA TYR A 72 13.104 2.727 -12.028 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.134 2.041 -13.939 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.134 0.876 -13.092 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.324 4.518 -13.930 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.807 1.236 -12.905 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.344 5.901 -14.368 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.825 2.617 -13.344 1.00 0.00 H new ATOM 0 HH TYR A 72 6.047 4.590 -13.966 1.00 0.00 H new ATOM 1147 N ILE A 73 10.393 2.746 -10.192 1.00 0.00 N ATOM 1148 CA ILE A 73 9.530 3.590 -9.374 1.00 0.00 C ATOM 1149 C ILE A 73 10.223 3.990 -8.076 1.00 0.00 C ATOM 1150 O ILE A 73 9.973 5.065 -7.534 1.00 0.00 O ATOM 1151 CB ILE A 73 8.205 2.881 -9.038 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.452 1.725 -8.065 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.536 2.377 -10.308 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.255 2.104 -6.614 1.00 0.00 C ATOM 0 H ILE A 73 10.233 1.745 -10.081 1.00 0.00 H new ATOM 0 HA ILE A 73 9.316 4.484 -9.959 1.00 0.00 H new ATOM 0 HB ILE A 73 7.538 3.598 -8.560 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.780 0.903 -8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.469 1.357 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.601 1.878 -10.053 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.330 3.219 -10.969 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.197 1.672 -10.813 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.447 1.237 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.946 2.905 -6.350 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.230 2.444 -6.463 1.00 0.00 H new ATOM 1166 N GLU A 74 11.098 3.117 -7.585 1.00 0.00 N ATOM 1167 CA GLU A 74 11.828 3.380 -6.351 1.00 0.00 C ATOM 1168 C GLU A 74 12.984 4.346 -6.598 1.00 0.00 C ATOM 1169 O GLU A 74 13.329 5.153 -5.735 1.00 0.00 O ATOM 1170 CB GLU A 74 12.359 2.074 -5.758 1.00 0.00 C ATOM 1171 CG GLU A 74 11.287 1.229 -5.089 1.00 0.00 C ATOM 1172 CD GLU A 74 10.652 1.926 -3.902 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.206 2.948 -3.447 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.600 1.448 -3.427 1.00 0.00 O ATOM 0 H GLU A 74 11.318 2.222 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 74 11.139 3.839 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.829 1.490 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.135 2.305 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.514 0.985 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.725 0.286 -4.761 1.00 0.00 H new ATOM 1181 N LYS A 75 13.578 4.257 -7.783 1.00 0.00 N ATOM 1182 CA LYS A 75 14.694 5.121 -8.147 1.00 0.00 C ATOM 1183 C LYS A 75 14.200 6.507 -8.551 1.00 0.00 C ATOM 1184 O LYS A 75 14.839 7.515 -8.254 1.00 0.00 O ATOM 1185 CB LYS A 75 15.496 4.499 -9.293 1.00 0.00 C ATOM 1186 CG LYS A 75 14.819 4.626 -10.647 1.00 0.00 C ATOM 1187 CD LYS A 75 15.467 3.719 -11.681 1.00 0.00 C ATOM 1188 CE LYS A 75 16.801 4.277 -12.153 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.262 3.623 -13.409 1.00 0.00 N ATOM 0 H LYS A 75 13.305 3.594 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 75 15.340 5.225 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.476 4.974 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.664 3.444 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.763 4.375 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.871 5.661 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.617 2.727 -11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.798 3.601 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.709 5.351 -12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.550 4.136 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.174 4.031 -13.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.375 2.602 -13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.560 3.779 -14.160 1.00 0.00 H new ATOM 1203 N ASN A 76 13.059 6.548 -9.230 1.00 0.00 N ATOM 1204 CA ASN A 76 12.479 7.810 -9.675 1.00 0.00 C ATOM 1205 C ASN A 76 11.758 8.511 -8.527 1.00 0.00 C ATOM 1206 O ASN A 76 12.259 9.489 -7.972 1.00 0.00 O ATOM 1207 CB ASN A 76 11.506 7.569 -10.831 1.00 0.00 C ATOM 1208 CG ASN A 76 12.220 7.359 -12.152 1.00 0.00 C ATOM 1209 OD1 ASN A 76 13.431 7.556 -12.255 1.00 0.00 O ATOM 1210 ND2 ASN A 76 11.470 6.958 -13.172 1.00 0.00 N ATOM 0 H ASN A 76 12.517 5.722 -9.484 1.00 0.00 H new ATOM 0 HA ASN A 76 13.289 8.453 -10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.892 6.696 -10.610 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.830 8.420 -10.917 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.894 6.801 -14.086 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.470 6.807 -13.041 1.00 0.00 H new ATOM 1217 N ASN A 77 10.581 8.005 -8.177 1.00 0.00 N ATOM 1218 CA ASN A 77 9.791 8.582 -7.096 1.00 0.00 C ATOM 1219 C ASN A 77 10.176 7.969 -5.753 1.00 0.00 C ATOM 1220 O ASN A 77 10.080 6.756 -5.561 1.00 0.00 O ATOM 1221 CB ASN A 77 8.298 8.370 -7.357 1.00 0.00 C ATOM 1222 CG ASN A 77 7.743 9.354 -8.368 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.901 10.190 -8.040 1.00 0.00 O ATOM 1224 ND2 ASN A 77 8.212 9.257 -9.607 1.00 0.00 N ATOM 0 H ASN A 77 10.153 7.196 -8.627 1.00 0.00 H new ATOM 0 HA ASN A 77 9.998 9.652 -7.060 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.135 7.354 -7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.750 8.468 -6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.874 9.891 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.910 8.549 -9.834 1.00 0.00 H new ATOM 1231 N LYS A 78 10.612 8.814 -4.825 1.00 0.00 N ATOM 1232 CA LYS A 78 11.010 8.357 -3.499 1.00 0.00 C ATOM 1233 C LYS A 78 10.246 9.107 -2.413 1.00 0.00 C ATOM 1234 O LYS A 78 10.755 10.065 -1.832 1.00 0.00 O ATOM 1235 CB LYS A 78 12.516 8.549 -3.303 1.00 0.00 C ATOM 1236 CG LYS A 78 13.357 7.470 -3.963 1.00 0.00 C ATOM 1237 CD LYS A 78 14.817 7.882 -4.058 1.00 0.00 C ATOM 1238 CE LYS A 78 15.606 7.426 -2.841 1.00 0.00 C ATOM 1239 NZ LYS A 78 16.987 7.982 -2.835 1.00 0.00 N ATOM 0 H LYS A 78 10.699 9.820 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 78 10.771 7.296 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.805 9.520 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.736 8.567 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.275 6.544 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.970 7.265 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.258 7.456 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.885 8.966 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.086 7.735 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.653 6.337 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.492 7.648 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.492 7.666 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.943 9.021 -2.824 1.00 0.00 H new ATOM 1253 N GLN A 79 9.022 8.664 -2.144 1.00 0.00 N ATOM 1254 CA GLN A 79 8.189 9.293 -1.126 1.00 0.00 C ATOM 1255 C GLN A 79 8.754 9.048 0.269 1.00 0.00 C ATOM 1256 O GLN A 79 8.211 9.529 1.264 1.00 0.00 O ATOM 1257 CB GLN A 79 6.757 8.762 -1.209 1.00 0.00 C ATOM 1258 CG GLN A 79 5.956 9.347 -2.361 1.00 0.00 C ATOM 1259 CD GLN A 79 6.437 8.858 -3.713 1.00 0.00 C ATOM 1260 OE1 GLN A 79 7.357 9.427 -4.301 1.00 0.00 O ATOM 1261 NE2 GLN A 79 5.814 7.798 -4.215 1.00 0.00 N ATOM 0 H GLN A 79 8.586 7.872 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 79 8.183 10.367 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.786 7.677 -1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.243 8.980 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.905 9.086 -2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.020 10.435 -2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.056 7.357 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.093 7.425 -5.122 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 2.204 -3.247 -31.450 1.00 0.00 P HETATM 1272 O25 PNS A 137 1.443 -2.066 -32.242 1.00 0.00 O HETATM 1273 O26 PNS A 137 3.605 -3.420 -31.892 1.00 0.00 O HETATM 1274 O27 PNS A 137 1.292 -4.561 -31.650 1.00 0.00 O HETATM 1275 C28 PNS A 137 1.842 -5.881 -31.598 1.00 0.00 C HETATM 1276 C29 PNS A 137 0.776 -6.995 -31.530 1.00 0.00 C HETATM 1277 C30 PNS A 137 -0.222 -6.804 -32.688 1.00 0.00 C HETATM 1278 C31 PNS A 137 0.034 -6.851 -30.185 1.00 0.00 C HETATM 1279 C32 PNS A 137 1.519 -8.351 -31.605 1.00 0.00 C HETATM 1280 O33 PNS A 137 2.190 -8.500 -32.862 1.00 0.00 O HETATM 1281 C34 PNS A 137 0.649 -9.617 -31.400 1.00 0.00 C HETATM 1282 O35 PNS A 137 -0.565 -9.616 -31.626 1.00 0.00 O HETATM 1283 N36 PNS A 137 1.237 -10.746 -30.981 1.00 0.00 N HETATM 1284 C37 PNS A 137 2.675 -10.934 -30.709 1.00 0.00 C HETATM 1285 C38 PNS A 137 2.968 -12.434 -30.618 1.00 0.00 C HETATM 1286 C39 PNS A 137 4.487 -12.713 -30.595 1.00 0.00 C HETATM 1287 O40 PNS A 137 5.135 -12.533 -31.627 1.00 0.00 O HETATM 1288 N41 PNS A 137 5.063 -13.133 -29.462 1.00 0.00 N HETATM 1289 C42 PNS A 137 4.408 -13.399 -28.165 1.00 0.00 C HETATM 1290 C43 PNS A 137 5.453 -13.803 -27.125 1.00 0.00 C HETATM 1291 S44 PNS A 137 6.333 -15.359 -27.530 1.00 0.00 S HETATM 0 H432 PNS A 137 6.182 -12.999 -27.025 1.00 0.00 H new HETATM 0 H431 PNS A 137 4.965 -13.913 -26.157 1.00 0.00 H new HETATM 0 H422 PNS A 137 3.669 -14.192 -28.277 1.00 0.00 H new HETATM 0 H421 PNS A 137 3.873 -12.510 -27.829 1.00 0.00 H new HETATM 0 H382 PNS A 137 2.516 -12.946 -31.467 1.00 0.00 H new HETATM 0 H381 PNS A 137 2.508 -12.842 -29.718 1.00 0.00 H new HETATM 0 H372 PNS A 137 2.951 -10.438 -29.778 1.00 0.00 H new HETATM 0 H371 PNS A 137 3.271 -10.480 -31.501 1.00 0.00 H new HETATM 0 H313 PNS A 137 -0.729 -7.626 -30.105 1.00 0.00 H new HETATM 0 H312 PNS A 137 -0.439 -5.870 -30.133 1.00 0.00 H new HETATM 0 H311 PNS A 137 0.744 -6.955 -29.365 1.00 0.00 H new HETATM 0 H303 PNS A 137 -0.979 -7.587 -32.648 1.00 0.00 H new HETATM 0 H302 PNS A 137 0.308 -6.860 -33.639 1.00 0.00 H new HETATM 0 H301 PNS A 137 -0.702 -5.830 -32.598 1.00 0.00 H new HETATM 0 H282 PNS A 137 2.493 -5.960 -30.727 1.00 0.00 H new HETATM 0 H281 PNS A 137 2.465 -6.040 -32.478 1.00 0.00 H new HETATM 0 H44 PNS A 137 7.199 -15.623 -26.597 1.00 0.00 H new HETATM 0 H41 PNS A 137 6.071 -13.287 -29.498 1.00 0.00 H new HETATM 0 H36 PNS A 137 0.632 -11.554 -30.836 1.00 0.00 H new HETATM 0 H33 PNS A 137 1.660 -9.079 -33.449 1.00 0.00 H new HETATM 0 H32 PNS A 137 2.211 -8.297 -30.764 1.00 0.00 H new