USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 939 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 SER OG : rot 180:sc= 0.699 USER MOD Set 1.2: A 90 TYR OH : rot -153:sc= 0.795 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 50:sc= 0.0742 USER MOD Single : A 11 GLN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 0.394 (180deg=0.253) USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= 0.266 (180deg=-1.1) USER MOD Single : A 26 TYR OH : rot 166:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0315 K(o=-0.031,f=-1) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 31 SER OG : rot 132:sc= 0.463 USER MOD Single : A 32 ASN : amide:sc= -0.84 K(o=-0.84,f=-3.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 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 45 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.6!) USER MOD Single : A 48 MET CE :methyl -168:sc= -0.0415 (180deg=-0.47) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0.627 (180deg=0.581) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0108) USER MOD Single : A 58 SER OG : rot -35:sc= 1.01 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0338) USER MOD Single : A 65 GLN : amide:sc= -0.766 K(o=-0.77,f=-0.024) USER MOD Single : A 69 SER OG : rot 180:sc= -1.42! USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0.385 (180deg=0.154) USER MOD Single : A 77 SER OG : rot -72:sc= 1.05 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 85 SER OG : rot 73:sc= 1.01 USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0.499 (180deg=0.482) USER MOD Single : A 89 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -172:sc=-0.00956 (180deg=-0.0866) USER MOD Single : A 95 THR OG1 : rot -110:sc=-0.00454 USER MOD Single : A 99 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.14) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= 0.0198 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -170:sc= 0.807 (180deg=0.736) USER MOD Single : A 113 LYS NZ :NH3+ -179:sc= 0.734 (180deg=0.733) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 10.540 8.023 -3.208 1.00 40.45 N ATOM 28 CA LYS A 3 9.144 8.450 -3.052 1.00 74.01 C ATOM 29 C LYS A 3 8.360 7.384 -2.283 1.00 63.45 C ATOM 30 O LYS A 3 8.104 6.295 -2.821 1.00 20.15 O ATOM 31 CB LYS A 3 8.492 8.707 -4.432 1.00 23.42 C ATOM 32 CG LYS A 3 7.119 9.415 -4.394 1.00 24.11 C ATOM 33 CD LYS A 3 7.224 10.869 -3.872 1.00 60.05 C ATOM 34 CE LYS A 3 5.883 11.612 -3.897 1.00 22.31 C ATOM 35 NZ LYS A 3 6.042 13.035 -3.511 1.00 34.44 N ATOM 0 HA LYS A 3 9.124 9.383 -2.489 1.00 74.01 H new ATOM 0 HB2 LYS A 3 9.175 9.308 -5.032 1.00 23.42 H new ATOM 0 HB3 LYS A 3 8.375 7.752 -4.943 1.00 23.42 H new ATOM 0 HG2 LYS A 3 6.687 9.421 -5.395 1.00 24.11 H new ATOM 0 HG3 LYS A 3 6.439 8.850 -3.757 1.00 24.11 H new ATOM 0 HD2 LYS A 3 7.607 10.856 -2.852 1.00 60.05 H new ATOM 0 HD3 LYS A 3 7.947 11.415 -4.477 1.00 60.05 H new ATOM 0 HE2 LYS A 3 5.451 11.551 -4.896 1.00 22.31 H new ATOM 0 HE3 LYS A 3 5.184 11.126 -3.217 1.00 22.31 H new ATOM 0 HZ1 LYS A 3 5.116 13.508 -3.538 1.00 34.44 H new ATOM 0 HZ2 LYS A 3 6.431 13.092 -2.548 1.00 34.44 H new ATOM 0 HZ3 LYS A 3 6.690 13.505 -4.175 1.00 34.44 H new ATOM 49 N VAL A 4 8.009 7.694 -1.021 1.00 3.14 N ATOM 50 CA VAL A 4 7.159 6.845 -0.183 1.00 3.02 C ATOM 51 C VAL A 4 5.713 7.331 -0.317 1.00 42.12 C ATOM 52 O VAL A 4 5.430 8.505 -0.064 1.00 54.54 O ATOM 53 CB VAL A 4 7.578 6.869 1.336 1.00 53.10 C ATOM 54 CG1 VAL A 4 6.841 5.759 2.128 1.00 5.42 C ATOM 55 CG2 VAL A 4 9.112 6.753 1.502 1.00 62.14 C ATOM 0 H VAL A 4 8.313 8.549 -0.556 1.00 3.14 H new ATOM 0 HA VAL A 4 7.270 5.816 -0.526 1.00 3.02 H new ATOM 0 HB VAL A 4 7.279 7.832 1.749 1.00 53.10 H new ATOM 0 HG11 VAL A 4 7.146 5.795 3.174 1.00 5.42 H new ATOM 0 HG12 VAL A 4 5.765 5.916 2.058 1.00 5.42 H new ATOM 0 HG13 VAL A 4 7.094 4.785 1.710 1.00 5.42 H new ATOM 0 HG21 VAL A 4 9.366 6.773 2.562 1.00 62.14 H new ATOM 0 HG22 VAL A 4 9.456 5.816 1.064 1.00 62.14 H new ATOM 0 HG23 VAL A 4 9.597 7.589 0.997 1.00 62.14 H new ATOM 65 N VAL A 5 4.816 6.446 -0.754 1.00 71.10 N ATOM 66 CA VAL A 5 3.392 6.766 -0.940 1.00 54.22 C ATOM 67 C VAL A 5 2.531 5.768 -0.166 1.00 21.21 C ATOM 68 O VAL A 5 2.820 4.573 -0.157 1.00 62.10 O ATOM 69 CB VAL A 5 3.002 6.761 -2.465 1.00 3.44 C ATOM 70 CG1 VAL A 5 1.484 6.986 -2.688 1.00 31.20 C ATOM 71 CG2 VAL A 5 3.829 7.813 -3.229 1.00 31.41 C ATOM 0 H VAL A 5 5.053 5.483 -0.991 1.00 71.10 H new ATOM 0 HA VAL A 5 3.212 7.769 -0.554 1.00 54.22 H new ATOM 0 HB VAL A 5 3.234 5.771 -2.857 1.00 3.44 H new ATOM 0 HG11 VAL A 5 1.267 6.974 -3.756 1.00 31.20 H new ATOM 0 HG12 VAL A 5 0.922 6.193 -2.195 1.00 31.20 H new ATOM 0 HG13 VAL A 5 1.194 7.950 -2.270 1.00 31.20 H new ATOM 0 HG21 VAL A 5 3.550 7.800 -4.283 1.00 31.41 H new ATOM 0 HG22 VAL A 5 3.633 8.802 -2.814 1.00 31.41 H new ATOM 0 HG23 VAL A 5 4.890 7.583 -3.132 1.00 31.41 H new ATOM 81 N PHE A 6 1.494 6.272 0.509 1.00 71.14 N ATOM 82 CA PHE A 6 0.466 5.434 1.124 1.00 1.25 C ATOM 83 C PHE A 6 -0.859 5.626 0.373 1.00 11.11 C ATOM 84 O PHE A 6 -1.455 6.703 0.426 1.00 64.24 O ATOM 85 CB PHE A 6 0.290 5.766 2.627 1.00 11.41 C ATOM 86 CG PHE A 6 -0.757 4.887 3.302 1.00 71.15 C ATOM 87 CD1 PHE A 6 -0.531 3.520 3.452 1.00 2.41 C ATOM 88 CD2 PHE A 6 -1.975 5.410 3.746 1.00 40.53 C ATOM 89 CE1 PHE A 6 -1.481 2.703 4.019 1.00 62.02 C ATOM 90 CE2 PHE A 6 -2.919 4.589 4.320 1.00 71.35 C ATOM 91 CZ PHE A 6 -2.673 3.237 4.451 1.00 72.20 C ATOM 0 H PHE A 6 1.345 7.272 0.643 1.00 71.14 H new ATOM 0 HA PHE A 6 0.778 4.392 1.055 1.00 1.25 H new ATOM 0 HB2 PHE A 6 1.246 5.643 3.137 1.00 11.41 H new ATOM 0 HB3 PHE A 6 0.004 6.812 2.733 1.00 11.41 H new ATOM 0 HD1 PHE A 6 0.404 3.096 3.118 1.00 2.41 H new ATOM 0 HD2 PHE A 6 -2.177 6.465 3.638 1.00 40.53 H new ATOM 0 HE1 PHE A 6 -1.292 1.645 4.125 1.00 62.02 H new ATOM 0 HE2 PHE A 6 -3.854 5.003 4.668 1.00 71.35 H new ATOM 0 HZ PHE A 6 -3.420 2.595 4.895 1.00 72.20 H new ATOM 101 N LEU A 7 -1.294 4.585 -0.332 1.00 42.54 N ATOM 102 CA LEU A 7 -2.618 4.521 -0.958 1.00 71.21 C ATOM 103 C LEU A 7 -3.574 3.775 -0.016 1.00 33.34 C ATOM 104 O LEU A 7 -3.193 2.765 0.575 1.00 5.34 O ATOM 105 CB LEU A 7 -2.520 3.798 -2.326 1.00 43.30 C ATOM 106 CG LEU A 7 -3.866 3.511 -3.070 1.00 72.23 C ATOM 107 CD1 LEU A 7 -4.638 4.809 -3.360 1.00 10.44 C ATOM 108 CD2 LEU A 7 -3.622 2.699 -4.357 1.00 2.42 C ATOM 0 H LEU A 7 -0.731 3.749 -0.489 1.00 42.54 H new ATOM 0 HA LEU A 7 -2.999 5.527 -1.133 1.00 71.21 H new ATOM 0 HB2 LEU A 7 -1.890 4.398 -2.983 1.00 43.30 H new ATOM 0 HB3 LEU A 7 -2.007 2.848 -2.172 1.00 43.30 H new ATOM 0 HG LEU A 7 -4.489 2.908 -2.409 1.00 72.23 H new ATOM 0 HD11 LEU A 7 -5.568 4.572 -3.877 1.00 10.44 H new ATOM 0 HD12 LEU A 7 -4.864 5.315 -2.422 1.00 10.44 H new ATOM 0 HD13 LEU A 7 -4.030 5.462 -3.987 1.00 10.44 H new ATOM 0 HD21 LEU A 7 -4.573 2.513 -4.856 1.00 2.42 H new ATOM 0 HD22 LEU A 7 -2.967 3.261 -5.023 1.00 2.42 H new ATOM 0 HD23 LEU A 7 -3.153 1.748 -4.104 1.00 2.42 H new ATOM 120 N SER A 8 -4.800 4.296 0.146 1.00 24.04 N ATOM 121 CA SER A 8 -5.880 3.625 0.881 1.00 60.44 C ATOM 122 C SER A 8 -7.228 4.211 0.457 1.00 72.41 C ATOM 123 O SER A 8 -7.365 5.422 0.346 1.00 60.11 O ATOM 124 CB SER A 8 -5.701 3.768 2.405 1.00 1.32 C ATOM 125 OG SER A 8 -6.771 3.175 3.121 1.00 1.32 O ATOM 0 H SER A 8 -5.071 5.203 -0.234 1.00 24.04 H new ATOM 0 HA SER A 8 -5.846 2.562 0.640 1.00 60.44 H new ATOM 0 HB2 SER A 8 -4.762 3.304 2.705 1.00 1.32 H new ATOM 0 HB3 SER A 8 -5.632 4.824 2.665 1.00 1.32 H new ATOM 0 HG SER A 8 -6.921 2.265 2.790 1.00 1.32 H new ATOM 131 N ASP A 9 -8.221 3.333 0.270 1.00 25.23 N ATOM 132 CA ASP A 9 -9.576 3.717 -0.184 1.00 44.13 C ATOM 133 C ASP A 9 -10.380 4.376 0.955 1.00 71.24 C ATOM 134 O ASP A 9 -11.291 5.178 0.708 1.00 22.51 O ATOM 135 CB ASP A 9 -10.307 2.468 -0.744 1.00 23.02 C ATOM 136 CG ASP A 9 -11.782 2.723 -1.115 1.00 13.13 C ATOM 137 OD1 ASP A 9 -12.038 3.431 -2.112 1.00 21.30 O ATOM 138 OD2 ASP A 9 -12.687 2.217 -0.413 1.00 60.55 O ATOM 0 H ASP A 9 -8.113 2.331 0.428 1.00 25.23 H new ATOM 0 HA ASP A 9 -9.487 4.457 -0.979 1.00 44.13 H new ATOM 0 HB2 ASP A 9 -9.776 2.114 -1.628 1.00 23.02 H new ATOM 0 HB3 ASP A 9 -10.261 1.670 -0.003 1.00 23.02 H new ATOM 143 N ASP A 10 -10.032 4.040 2.196 1.00 72.31 N ATOM 144 CA ASP A 10 -10.713 4.561 3.393 1.00 21.11 C ATOM 145 C ASP A 10 -9.891 5.707 4.008 1.00 2.43 C ATOM 146 O ASP A 10 -8.687 5.551 4.245 1.00 14.22 O ATOM 147 CB ASP A 10 -10.942 3.427 4.422 1.00 52.42 C ATOM 148 CG ASP A 10 -11.698 3.913 5.673 1.00 60.11 C ATOM 149 OD1 ASP A 10 -11.042 4.345 6.643 1.00 11.22 O ATOM 150 OD2 ASP A 10 -12.946 3.896 5.671 1.00 10.45 O ATOM 0 H ASP A 10 -9.268 3.397 2.406 1.00 72.31 H new ATOM 0 HA ASP A 10 -11.688 4.953 3.104 1.00 21.11 H new ATOM 0 HB2 ASP A 10 -11.505 2.621 3.951 1.00 52.42 H new ATOM 0 HB3 ASP A 10 -9.980 3.012 4.721 1.00 52.42 H new ATOM 155 N GLN A 11 -10.579 6.833 4.282 1.00 33.34 N ATOM 156 CA GLN A 11 -9.975 8.069 4.805 1.00 74.45 C ATOM 157 C GLN A 11 -9.396 7.881 6.221 1.00 40.41 C ATOM 158 O GLN A 11 -8.306 8.370 6.501 1.00 54.34 O ATOM 159 CB GLN A 11 -11.017 9.224 4.800 1.00 21.33 C ATOM 160 CG GLN A 11 -10.494 10.586 5.320 1.00 22.14 C ATOM 161 CD GLN A 11 -9.374 11.199 4.470 1.00 64.01 C ATOM 162 OE1 GLN A 11 -9.637 11.947 3.532 1.00 4.24 O ATOM 163 NE2 GLN A 11 -8.120 10.896 4.796 1.00 51.04 N ATOM 0 H GLN A 11 -11.587 6.908 4.143 1.00 33.34 H new ATOM 0 HA GLN A 11 -9.146 8.327 4.146 1.00 74.45 H new ATOM 0 HB2 GLN A 11 -11.382 9.358 3.782 1.00 21.33 H new ATOM 0 HB3 GLN A 11 -11.871 8.924 5.408 1.00 21.33 H new ATOM 0 HG2 GLN A 11 -11.326 11.288 5.364 1.00 22.14 H new ATOM 0 HG3 GLN A 11 -10.131 10.457 6.340 1.00 22.14 H new ATOM 0 HE21 GLN A 11 -7.934 10.272 5.581 1.00 51.04 H new ATOM 0 HE22 GLN A 11 -7.345 11.288 4.261 1.00 51.04 H new ATOM 172 N GLU A 12 -10.115 7.152 7.092 1.00 64.44 N ATOM 173 CA GLU A 12 -9.726 6.991 8.516 1.00 71.10 C ATOM 174 C GLU A 12 -8.418 6.191 8.636 1.00 23.10 C ATOM 175 O GLU A 12 -7.610 6.444 9.532 1.00 31.02 O ATOM 176 CB GLU A 12 -10.854 6.304 9.318 1.00 1.33 C ATOM 177 CG GLU A 12 -12.222 6.992 9.184 1.00 43.43 C ATOM 178 CD GLU A 12 -13.342 6.234 9.907 1.00 24.04 C ATOM 179 OE1 GLU A 12 -13.901 6.756 10.897 1.00 55.51 O ATOM 180 OE2 GLU A 12 -13.662 5.103 9.490 1.00 20.21 O ATOM 0 H GLU A 12 -10.973 6.661 6.840 1.00 64.44 H new ATOM 0 HA GLU A 12 -9.562 7.984 8.935 1.00 71.10 H new ATOM 0 HB2 GLU A 12 -10.944 5.270 8.986 1.00 1.33 H new ATOM 0 HB3 GLU A 12 -10.573 6.277 10.371 1.00 1.33 H new ATOM 0 HG2 GLU A 12 -12.156 8.003 9.586 1.00 43.43 H new ATOM 0 HG3 GLU A 12 -12.475 7.084 8.128 1.00 43.43 H new ATOM 187 N ILE A 13 -8.222 5.257 7.689 1.00 64.14 N ATOM 188 CA ILE A 13 -6.978 4.488 7.554 1.00 64.11 C ATOM 189 C ILE A 13 -5.816 5.446 7.201 1.00 13.12 C ATOM 190 O ILE A 13 -4.743 5.418 7.831 1.00 51.11 O ATOM 191 CB ILE A 13 -7.111 3.400 6.427 1.00 32.02 C ATOM 192 CG1 ILE A 13 -8.253 2.367 6.725 1.00 44.54 C ATOM 193 CG2 ILE A 13 -5.770 2.690 6.204 1.00 43.33 C ATOM 194 CD1 ILE A 13 -8.001 1.420 7.881 1.00 61.25 C ATOM 0 H ILE A 13 -8.928 5.015 6.993 1.00 64.14 H new ATOM 0 HA ILE A 13 -6.778 3.987 8.501 1.00 64.11 H new ATOM 0 HB ILE A 13 -7.389 3.918 5.509 1.00 32.02 H new ATOM 0 HG12 ILE A 13 -9.172 2.918 6.925 1.00 44.54 H new ATOM 0 HG13 ILE A 13 -8.425 1.775 5.826 1.00 44.54 H new ATOM 0 HG21 ILE A 13 -5.881 1.940 5.421 1.00 43.33 H new ATOM 0 HG22 ILE A 13 -5.018 3.419 5.904 1.00 43.33 H new ATOM 0 HG23 ILE A 13 -5.457 2.205 7.129 1.00 43.33 H new ATOM 0 HD11 ILE A 13 -8.854 0.751 7.996 1.00 61.25 H new ATOM 0 HD12 ILE A 13 -7.104 0.833 7.682 1.00 61.25 H new ATOM 0 HD13 ILE A 13 -7.863 1.993 8.798 1.00 61.25 H new ATOM 206 N ILE A 14 -6.084 6.309 6.188 1.00 21.23 N ATOM 207 CA ILE A 14 -5.147 7.333 5.707 1.00 44.50 C ATOM 208 C ILE A 14 -4.719 8.247 6.865 1.00 15.42 C ATOM 209 O ILE A 14 -3.548 8.535 6.999 1.00 3.13 O ATOM 210 CB ILE A 14 -5.794 8.203 4.557 1.00 64.35 C ATOM 211 CG1 ILE A 14 -6.161 7.324 3.319 1.00 60.54 C ATOM 212 CG2 ILE A 14 -4.889 9.385 4.144 1.00 72.25 C ATOM 213 CD1 ILE A 14 -7.011 8.030 2.269 1.00 32.53 C ATOM 0 H ILE A 14 -6.970 6.306 5.682 1.00 21.23 H new ATOM 0 HA ILE A 14 -4.272 6.823 5.304 1.00 44.50 H new ATOM 0 HB ILE A 14 -6.715 8.625 4.960 1.00 64.35 H new ATOM 0 HG12 ILE A 14 -5.240 6.978 2.849 1.00 60.54 H new ATOM 0 HG13 ILE A 14 -6.695 6.438 3.664 1.00 60.54 H new ATOM 0 HG21 ILE A 14 -5.374 9.955 3.351 1.00 72.25 H new ATOM 0 HG22 ILE A 14 -4.720 10.032 5.005 1.00 72.25 H new ATOM 0 HG23 ILE A 14 -3.934 9.003 3.784 1.00 72.25 H new ATOM 0 HD11 ILE A 14 -7.217 7.345 1.447 1.00 32.53 H new ATOM 0 HD12 ILE A 14 -7.951 8.351 2.718 1.00 32.53 H new ATOM 0 HD13 ILE A 14 -6.474 8.900 1.891 1.00 32.53 H new ATOM 225 N GLU A 15 -5.685 8.631 7.718 1.00 45.21 N ATOM 226 CA GLU A 15 -5.473 9.579 8.830 1.00 74.43 C ATOM 227 C GLU A 15 -4.618 8.963 9.950 1.00 42.41 C ATOM 228 O GLU A 15 -3.818 9.667 10.569 1.00 45.12 O ATOM 229 CB GLU A 15 -6.843 10.065 9.371 1.00 11.30 C ATOM 230 CG GLU A 15 -7.659 10.849 8.324 1.00 21.13 C ATOM 231 CD GLU A 15 -9.045 11.282 8.815 1.00 31.13 C ATOM 232 OE1 GLU A 15 -9.220 12.459 9.191 1.00 52.14 O ATOM 233 OE2 GLU A 15 -9.967 10.441 8.821 1.00 2.42 O ATOM 0 H GLU A 15 -6.644 8.290 7.656 1.00 45.21 H new ATOM 0 HA GLU A 15 -4.919 10.437 8.449 1.00 74.43 H new ATOM 0 HB2 GLU A 15 -7.422 9.204 9.705 1.00 11.30 H new ATOM 0 HB3 GLU A 15 -6.680 10.697 10.244 1.00 11.30 H new ATOM 0 HG2 GLU A 15 -7.096 11.734 8.028 1.00 21.13 H new ATOM 0 HG3 GLU A 15 -7.776 10.232 7.433 1.00 21.13 H new ATOM 240 N GLU A 16 -4.779 7.643 10.177 1.00 62.33 N ATOM 241 CA GLU A 16 -3.968 6.894 11.160 1.00 1.30 C ATOM 242 C GLU A 16 -2.486 6.882 10.752 1.00 20.52 C ATOM 243 O GLU A 16 -1.600 7.172 11.569 1.00 53.12 O ATOM 244 CB GLU A 16 -4.496 5.442 11.319 1.00 33.13 C ATOM 245 CG GLU A 16 -5.849 5.339 12.043 1.00 21.14 C ATOM 246 CD GLU A 16 -5.820 5.873 13.492 1.00 22.53 C ATOM 247 OE1 GLU A 16 -5.306 5.166 14.390 1.00 34.43 O ATOM 248 OE2 GLU A 16 -6.326 6.987 13.744 1.00 42.51 O ATOM 0 H GLU A 16 -5.468 7.070 9.689 1.00 62.33 H new ATOM 0 HA GLU A 16 -4.056 7.400 12.121 1.00 1.30 H new ATOM 0 HB2 GLU A 16 -4.590 4.991 10.331 1.00 33.13 H new ATOM 0 HB3 GLU A 16 -3.758 4.857 11.867 1.00 33.13 H new ATOM 0 HG2 GLU A 16 -6.597 5.893 11.476 1.00 21.14 H new ATOM 0 HG3 GLU A 16 -6.166 4.296 12.056 1.00 21.14 H new ATOM 255 N VAL A 17 -2.250 6.561 9.475 1.00 15.32 N ATOM 256 CA VAL A 17 -0.899 6.478 8.898 1.00 33.10 C ATOM 257 C VAL A 17 -0.269 7.878 8.751 1.00 52.21 C ATOM 258 O VAL A 17 0.890 8.062 9.094 1.00 45.31 O ATOM 259 CB VAL A 17 -0.945 5.741 7.511 1.00 5.34 C ATOM 260 CG1 VAL A 17 0.442 5.703 6.826 1.00 12.31 C ATOM 261 CG2 VAL A 17 -1.529 4.314 7.686 1.00 4.43 C ATOM 0 H VAL A 17 -2.992 6.350 8.808 1.00 15.32 H new ATOM 0 HA VAL A 17 -0.272 5.902 9.579 1.00 33.10 H new ATOM 0 HB VAL A 17 -1.601 6.308 6.851 1.00 5.34 H new ATOM 0 HG11 VAL A 17 0.362 5.184 5.871 1.00 12.31 H new ATOM 0 HG12 VAL A 17 0.793 6.721 6.658 1.00 12.31 H new ATOM 0 HG13 VAL A 17 1.150 5.177 7.466 1.00 12.31 H new ATOM 0 HG21 VAL A 17 -1.557 3.811 6.719 1.00 4.43 H new ATOM 0 HG22 VAL A 17 -0.902 3.746 8.373 1.00 4.43 H new ATOM 0 HG23 VAL A 17 -2.539 4.381 8.089 1.00 4.43 H new ATOM 271 N SER A 18 -1.068 8.842 8.266 1.00 11.15 N ATOM 272 CA SER A 18 -0.629 10.220 7.971 1.00 24.13 C ATOM 273 C SER A 18 -0.181 10.942 9.246 1.00 30.44 C ATOM 274 O SER A 18 0.848 11.623 9.245 1.00 55.52 O ATOM 275 CB SER A 18 -1.772 11.013 7.288 1.00 12.53 C ATOM 276 OG SER A 18 -1.399 12.349 6.985 1.00 22.23 O ATOM 0 H SER A 18 -2.055 8.685 8.063 1.00 11.15 H new ATOM 0 HA SER A 18 0.223 10.163 7.293 1.00 24.13 H new ATOM 0 HB2 SER A 18 -2.066 10.504 6.370 1.00 12.53 H new ATOM 0 HB3 SER A 18 -2.645 11.022 7.941 1.00 12.53 H new ATOM 0 HG SER A 18 -2.150 12.809 6.555 1.00 22.23 H new ATOM 282 N LYS A 19 -0.975 10.783 10.327 1.00 13.34 N ATOM 283 CA LYS A 19 -0.703 11.413 11.611 1.00 74.14 C ATOM 284 C LYS A 19 0.602 10.890 12.219 1.00 41.21 C ATOM 285 O LYS A 19 1.436 11.674 12.650 1.00 53.40 O ATOM 286 CB LYS A 19 -1.869 11.180 12.603 1.00 11.13 C ATOM 287 CG LYS A 19 -1.827 12.126 13.815 1.00 74.24 C ATOM 288 CD LYS A 19 -2.027 13.604 13.387 1.00 70.23 C ATOM 289 CE LYS A 19 -1.893 14.585 14.550 1.00 32.44 C ATOM 290 NZ LYS A 19 -0.497 14.685 15.048 1.00 52.42 N ATOM 0 H LYS A 19 -1.820 10.211 10.321 1.00 13.34 H new ATOM 0 HA LYS A 19 -0.601 12.483 11.431 1.00 74.14 H new ATOM 0 HB2 LYS A 19 -2.816 11.312 12.079 1.00 11.13 H new ATOM 0 HB3 LYS A 19 -1.840 10.148 12.953 1.00 11.13 H new ATOM 0 HG2 LYS A 19 -2.603 11.843 14.526 1.00 74.24 H new ATOM 0 HG3 LYS A 19 -0.871 12.020 14.328 1.00 74.24 H new ATOM 0 HD2 LYS A 19 -1.295 13.857 12.620 1.00 70.23 H new ATOM 0 HD3 LYS A 19 -3.013 13.716 12.936 1.00 70.23 H new ATOM 0 HE2 LYS A 19 -2.234 15.570 14.232 1.00 32.44 H new ATOM 0 HE3 LYS A 19 -2.545 14.270 15.365 1.00 32.44 H new ATOM 0 HZ1 LYS A 19 -0.497 15.105 15.999 1.00 52.42 H new ATOM 0 HZ2 LYS A 19 -0.074 13.736 15.089 1.00 52.42 H new ATOM 0 HZ3 LYS A 19 0.059 15.284 14.405 1.00 52.42 H new ATOM 304 N LYS A 20 0.759 9.557 12.232 1.00 5.42 N ATOM 305 CA LYS A 20 1.938 8.901 12.822 1.00 11.41 C ATOM 306 C LYS A 20 3.204 9.149 11.971 1.00 75.13 C ATOM 307 O LYS A 20 4.315 9.267 12.505 1.00 52.01 O ATOM 308 CB LYS A 20 1.679 7.391 13.019 1.00 11.34 C ATOM 309 CG LYS A 20 2.720 6.717 13.935 1.00 63.45 C ATOM 310 CD LYS A 20 2.333 5.279 14.326 1.00 41.55 C ATOM 311 CE LYS A 20 3.097 4.799 15.568 1.00 44.42 C ATOM 312 NZ LYS A 20 4.564 4.869 15.389 1.00 62.41 N ATOM 0 H LYS A 20 0.079 8.907 11.837 1.00 5.42 H new ATOM 0 HA LYS A 20 2.115 9.343 13.802 1.00 11.41 H new ATOM 0 HB2 LYS A 20 0.685 7.251 13.443 1.00 11.34 H new ATOM 0 HB3 LYS A 20 1.684 6.897 12.047 1.00 11.34 H new ATOM 0 HG2 LYS A 20 3.686 6.703 13.430 1.00 63.45 H new ATOM 0 HG3 LYS A 20 2.841 7.314 14.839 1.00 63.45 H new ATOM 0 HD2 LYS A 20 1.261 5.231 14.518 1.00 41.55 H new ATOM 0 HD3 LYS A 20 2.538 4.608 13.492 1.00 41.55 H new ATOM 0 HE2 LYS A 20 2.809 5.407 16.426 1.00 44.42 H new ATOM 0 HE3 LYS A 20 2.810 3.772 15.794 1.00 44.42 H new ATOM 0 HZ1 LYS A 20 4.997 3.984 15.722 1.00 62.41 H new ATOM 0 HZ2 LYS A 20 4.785 5.005 14.382 1.00 62.41 H new ATOM 0 HZ3 LYS A 20 4.943 5.668 15.937 1.00 62.41 H new ATOM 326 N ALA A 21 3.009 9.253 10.645 1.00 35.11 N ATOM 327 CA ALA A 21 4.070 9.631 9.705 1.00 42.22 C ATOM 328 C ALA A 21 4.537 11.064 9.987 1.00 3.02 C ATOM 329 O ALA A 21 5.716 11.366 9.873 1.00 14.25 O ATOM 330 CB ALA A 21 3.586 9.492 8.257 1.00 53.13 C ATOM 0 H ALA A 21 2.109 9.076 10.198 1.00 35.11 H new ATOM 0 HA ALA A 21 4.915 8.956 9.843 1.00 42.22 H new ATOM 0 HB1 ALA A 21 4.388 9.777 7.576 1.00 53.13 H new ATOM 0 HB2 ALA A 21 3.299 8.458 8.067 1.00 53.13 H new ATOM 0 HB3 ALA A 21 2.726 10.142 8.097 1.00 53.13 H new ATOM 336 N GLU A 22 3.584 11.930 10.378 1.00 54.22 N ATOM 337 CA GLU A 22 3.864 13.313 10.792 1.00 22.24 C ATOM 338 C GLU A 22 4.692 13.325 12.093 1.00 44.14 C ATOM 339 O GLU A 22 5.671 14.068 12.195 1.00 2.35 O ATOM 340 CB GLU A 22 2.532 14.088 10.976 1.00 41.10 C ATOM 341 CG GLU A 22 2.690 15.567 11.377 1.00 64.54 C ATOM 342 CD GLU A 22 1.363 16.229 11.775 1.00 21.12 C ATOM 343 OE1 GLU A 22 1.022 16.242 12.984 1.00 41.42 O ATOM 344 OE2 GLU A 22 0.643 16.729 10.883 1.00 35.10 O ATOM 0 H GLU A 22 2.594 11.687 10.415 1.00 54.22 H new ATOM 0 HA GLU A 22 4.448 13.807 10.016 1.00 22.24 H new ATOM 0 HB2 GLU A 22 1.968 14.038 10.045 1.00 41.10 H new ATOM 0 HB3 GLU A 22 1.937 13.582 11.736 1.00 41.10 H new ATOM 0 HG2 GLU A 22 3.389 15.638 12.210 1.00 64.54 H new ATOM 0 HG3 GLU A 22 3.129 16.118 10.545 1.00 64.54 H new ATOM 351 N GLU A 23 4.298 12.473 13.067 1.00 42.05 N ATOM 352 CA GLU A 23 4.995 12.342 14.366 1.00 43.14 C ATOM 353 C GLU A 23 6.478 11.976 14.183 1.00 40.04 C ATOM 354 O GLU A 23 7.354 12.523 14.859 1.00 45.20 O ATOM 355 CB GLU A 23 4.313 11.261 15.252 1.00 42.23 C ATOM 356 CG GLU A 23 2.800 11.444 15.467 1.00 2.35 C ATOM 357 CD GLU A 23 2.403 12.793 16.095 1.00 44.13 C ATOM 358 OE1 GLU A 23 2.357 12.882 17.342 1.00 50.03 O ATOM 359 OE2 GLU A 23 2.108 13.758 15.353 1.00 3.44 O ATOM 0 H GLU A 23 3.489 11.858 12.974 1.00 42.05 H new ATOM 0 HA GLU A 23 4.932 13.313 14.857 1.00 43.14 H new ATOM 0 HB2 GLU A 23 4.483 10.284 14.800 1.00 42.23 H new ATOM 0 HB3 GLU A 23 4.803 11.251 16.226 1.00 42.23 H new ATOM 0 HG2 GLU A 23 2.294 11.342 14.507 1.00 2.35 H new ATOM 0 HG3 GLU A 23 2.437 10.639 16.106 1.00 2.35 H new ATOM 366 N GLU A 24 6.742 11.036 13.259 1.00 34.21 N ATOM 367 CA GLU A 24 8.097 10.506 13.013 1.00 71.33 C ATOM 368 C GLU A 24 8.838 11.278 11.909 1.00 15.12 C ATOM 369 O GLU A 24 10.043 11.084 11.722 1.00 10.54 O ATOM 370 CB GLU A 24 8.010 9.005 12.667 1.00 4.10 C ATOM 371 CG GLU A 24 7.346 8.138 13.754 1.00 31.13 C ATOM 372 CD GLU A 24 7.970 8.338 15.153 1.00 73.44 C ATOM 373 OE1 GLU A 24 7.299 8.903 16.044 1.00 2.42 O ATOM 374 OE2 GLU A 24 9.136 7.946 15.363 1.00 51.31 O ATOM 0 H GLU A 24 6.025 10.622 12.663 1.00 34.21 H new ATOM 0 HA GLU A 24 8.677 10.637 13.926 1.00 71.33 H new ATOM 0 HB2 GLU A 24 7.452 8.891 11.738 1.00 4.10 H new ATOM 0 HB3 GLU A 24 9.016 8.628 12.483 1.00 4.10 H new ATOM 0 HG2 GLU A 24 6.283 8.374 13.800 1.00 31.13 H new ATOM 0 HG3 GLU A 24 7.427 7.088 13.473 1.00 31.13 H new ATOM 381 N GLY A 25 8.111 12.142 11.184 1.00 12.02 N ATOM 382 CA GLY A 25 8.684 12.934 10.091 1.00 52.41 C ATOM 383 C GLY A 25 8.892 12.140 8.802 1.00 15.33 C ATOM 384 O GLY A 25 9.720 12.522 7.970 1.00 33.41 O ATOM 0 H GLY A 25 7.117 12.309 11.339 1.00 12.02 H new ATOM 0 HA2 GLY A 25 8.029 13.780 9.885 1.00 52.41 H new ATOM 0 HA3 GLY A 25 9.641 13.344 10.414 1.00 52.41 H new ATOM 388 N TYR A 26 8.156 11.018 8.661 1.00 2.44 N ATOM 389 CA TYR A 26 8.124 10.210 7.431 1.00 40.33 C ATOM 390 C TYR A 26 7.447 11.003 6.294 1.00 44.13 C ATOM 391 O TYR A 26 6.241 11.272 6.361 1.00 74.42 O ATOM 392 CB TYR A 26 7.353 8.875 7.659 1.00 44.21 C ATOM 393 CG TYR A 26 8.039 7.836 8.552 1.00 43.54 C ATOM 394 CD1 TYR A 26 9.355 7.438 8.300 1.00 71.44 C ATOM 395 CD2 TYR A 26 7.356 7.203 9.600 1.00 44.40 C ATOM 396 CE1 TYR A 26 9.960 6.461 9.059 1.00 12.14 C ATOM 397 CE2 TYR A 26 7.967 6.229 10.371 1.00 51.44 C ATOM 398 CZ TYR A 26 9.269 5.859 10.092 1.00 52.14 C ATOM 399 OH TYR A 26 9.883 4.877 10.837 1.00 60.31 O ATOM 0 H TYR A 26 7.564 10.647 9.405 1.00 2.44 H new ATOM 0 HA TYR A 26 9.152 9.977 7.155 1.00 40.33 H new ATOM 0 HB2 TYR A 26 6.382 9.111 8.094 1.00 44.21 H new ATOM 0 HB3 TYR A 26 7.165 8.419 6.687 1.00 44.21 H new ATOM 0 HD1 TYR A 26 9.906 7.904 7.497 1.00 71.44 H new ATOM 0 HD2 TYR A 26 6.334 7.481 9.810 1.00 44.40 H new ATOM 0 HE1 TYR A 26 10.977 6.165 8.846 1.00 12.14 H new ATOM 0 HE2 TYR A 26 7.431 5.762 11.184 1.00 51.44 H new ATOM 0 HH TYR A 26 9.368 4.717 11.655 1.00 60.31 H new ATOM 409 N ASP A 27 8.232 11.383 5.274 1.00 3.33 N ATOM 410 CA ASP A 27 7.728 12.091 4.089 1.00 11.33 C ATOM 411 C ASP A 27 6.965 11.102 3.184 1.00 40.24 C ATOM 412 O ASP A 27 7.550 10.439 2.314 1.00 31.22 O ATOM 413 CB ASP A 27 8.895 12.788 3.339 1.00 31.30 C ATOM 414 CG ASP A 27 8.449 13.551 2.077 1.00 63.22 C ATOM 415 OD1 ASP A 27 8.800 13.132 0.956 1.00 14.11 O ATOM 416 OD2 ASP A 27 7.741 14.574 2.205 1.00 71.41 O ATOM 0 H ASP A 27 9.236 11.207 5.249 1.00 3.33 H new ATOM 0 HA ASP A 27 7.032 12.873 4.394 1.00 11.33 H new ATOM 0 HB2 ASP A 27 9.389 13.483 4.018 1.00 31.30 H new ATOM 0 HB3 ASP A 27 9.634 12.038 3.058 1.00 31.30 H new ATOM 421 N ILE A 28 5.661 10.952 3.472 1.00 20.43 N ATOM 422 CA ILE A 28 4.765 10.033 2.755 1.00 0.44 C ATOM 423 C ILE A 28 3.627 10.828 2.100 1.00 11.25 C ATOM 424 O ILE A 28 2.905 11.563 2.788 1.00 1.11 O ATOM 425 CB ILE A 28 4.152 8.937 3.713 1.00 73.03 C ATOM 426 CG1 ILE A 28 5.275 8.192 4.499 1.00 54.24 C ATOM 427 CG2 ILE A 28 3.276 7.938 2.918 1.00 14.31 C ATOM 428 CD1 ILE A 28 4.784 7.089 5.424 1.00 13.21 C ATOM 0 H ILE A 28 5.196 11.471 4.217 1.00 20.43 H new ATOM 0 HA ILE A 28 5.357 9.522 1.996 1.00 0.44 H new ATOM 0 HB ILE A 28 3.514 9.442 4.438 1.00 73.03 H new ATOM 0 HG12 ILE A 28 5.975 7.761 3.783 1.00 54.24 H new ATOM 0 HG13 ILE A 28 5.830 8.921 5.089 1.00 54.24 H new ATOM 0 HG21 ILE A 28 2.865 7.193 3.599 1.00 14.31 H new ATOM 0 HG22 ILE A 28 2.461 8.475 2.433 1.00 14.31 H new ATOM 0 HG23 ILE A 28 3.885 7.442 2.162 1.00 14.31 H new ATOM 0 HD11 ILE A 28 5.635 6.630 5.926 1.00 13.21 H new ATOM 0 HD12 ILE A 28 4.109 7.512 6.168 1.00 13.21 H new ATOM 0 HD13 ILE A 28 4.256 6.334 4.842 1.00 13.21 H new ATOM 440 N GLN A 29 3.479 10.688 0.774 1.00 5.22 N ATOM 441 CA GLN A 29 2.347 11.237 0.027 1.00 10.35 C ATOM 442 C GLN A 29 1.166 10.264 0.152 1.00 41.12 C ATOM 443 O GLN A 29 1.279 9.107 -0.238 1.00 51.23 O ATOM 444 CB GLN A 29 2.731 11.450 -1.464 1.00 45.41 C ATOM 445 CG GLN A 29 1.579 11.947 -2.371 1.00 50.13 C ATOM 446 CD GLN A 29 0.892 13.218 -1.857 1.00 75.43 C ATOM 447 OE1 GLN A 29 -0.063 13.153 -1.095 1.00 52.41 O ATOM 448 NE2 GLN A 29 1.360 14.374 -2.278 1.00 22.42 N ATOM 0 H GLN A 29 4.148 10.187 0.190 1.00 5.22 H new ATOM 0 HA GLN A 29 2.067 12.208 0.436 1.00 10.35 H new ATOM 0 HB2 GLN A 29 3.549 12.169 -1.514 1.00 45.41 H new ATOM 0 HB3 GLN A 29 3.109 10.509 -1.864 1.00 45.41 H new ATOM 0 HG2 GLN A 29 1.971 12.136 -3.370 1.00 50.13 H new ATOM 0 HG3 GLN A 29 0.835 11.156 -2.465 1.00 50.13 H new ATOM 0 HE21 GLN A 29 2.158 14.400 -2.913 1.00 22.42 H new ATOM 0 HE22 GLN A 29 0.925 15.243 -1.969 1.00 22.42 H new ATOM 457 N THR A 30 0.050 10.728 0.711 1.00 10.34 N ATOM 458 CA THR A 30 -1.145 9.905 0.920 1.00 10.04 C ATOM 459 C THR A 30 -2.183 10.190 -0.180 1.00 14.41 C ATOM 460 O THR A 30 -2.336 11.333 -0.625 1.00 62.34 O ATOM 461 CB THR A 30 -1.739 10.155 2.344 1.00 25.32 C ATOM 462 OG1 THR A 30 -1.853 11.570 2.581 1.00 42.01 O ATOM 463 CG2 THR A 30 -0.876 9.509 3.454 1.00 63.35 C ATOM 0 H THR A 30 -0.054 11.690 1.034 1.00 10.34 H new ATOM 0 HA THR A 30 -0.867 8.853 0.858 1.00 10.04 H new ATOM 0 HB THR A 30 -2.724 9.690 2.377 1.00 25.32 H new ATOM 0 HG1 THR A 30 -2.227 11.723 3.474 1.00 42.01 H new ATOM 0 HG21 THR A 30 -1.326 9.708 4.427 1.00 63.35 H new ATOM 0 HG22 THR A 30 -0.822 8.432 3.292 1.00 63.35 H new ATOM 0 HG23 THR A 30 0.129 9.931 3.426 1.00 63.35 H new ATOM 471 N SER A 31 -2.882 9.134 -0.622 1.00 2.23 N ATOM 472 CA SER A 31 -3.893 9.211 -1.688 1.00 73.10 C ATOM 473 C SER A 31 -4.998 8.174 -1.427 1.00 3.30 C ATOM 474 O SER A 31 -4.767 7.159 -0.764 1.00 1.24 O ATOM 475 CB SER A 31 -3.233 8.970 -3.071 1.00 13.35 C ATOM 476 OG SER A 31 -4.167 9.093 -4.136 1.00 13.44 O ATOM 0 H SER A 31 -2.761 8.194 -0.246 1.00 2.23 H new ATOM 0 HA SER A 31 -4.338 10.206 -1.691 1.00 73.10 H new ATOM 0 HB2 SER A 31 -2.423 9.684 -3.215 1.00 13.35 H new ATOM 0 HB3 SER A 31 -2.788 7.975 -3.092 1.00 13.35 H new ATOM 0 HG SER A 31 -3.792 9.668 -4.836 1.00 13.44 H new ATOM 482 N ASN A 32 -6.204 8.469 -1.931 1.00 2.30 N ATOM 483 CA ASN A 32 -7.350 7.541 -1.947 1.00 61.22 C ATOM 484 C ASN A 32 -7.538 7.008 -3.373 1.00 14.11 C ATOM 485 O ASN A 32 -7.734 5.802 -3.579 1.00 42.30 O ATOM 486 CB ASN A 32 -8.637 8.258 -1.433 1.00 63.31 C ATOM 487 CG ASN A 32 -9.896 7.367 -1.365 1.00 3.03 C ATOM 488 OD1 ASN A 32 -10.107 6.455 -2.158 1.00 41.22 O ATOM 489 ND2 ASN A 32 -10.751 7.626 -0.395 1.00 5.13 N ATOM 0 H ASN A 32 -6.417 9.375 -2.347 1.00 2.30 H new ATOM 0 HA ASN A 32 -7.157 6.701 -1.279 1.00 61.22 H new ATOM 0 HB2 ASN A 32 -8.439 8.659 -0.439 1.00 63.31 H new ATOM 0 HB3 ASN A 32 -8.846 9.108 -2.083 1.00 63.31 H new ATOM 0 HD21 ASN A 32 -11.598 7.066 -0.298 1.00 5.13 H new ATOM 0 HD22 ASN A 32 -10.566 8.387 0.259 1.00 5.13 H new ATOM 496 N ASP A 33 -7.474 7.925 -4.343 1.00 4.23 N ATOM 497 CA ASP A 33 -7.701 7.624 -5.766 1.00 30.42 C ATOM 498 C ASP A 33 -6.512 6.839 -6.348 1.00 24.54 C ATOM 499 O ASP A 33 -5.399 7.369 -6.472 1.00 32.11 O ATOM 500 CB ASP A 33 -7.931 8.936 -6.553 1.00 62.34 C ATOM 501 CG ASP A 33 -8.059 8.709 -8.062 1.00 52.34 C ATOM 502 OD1 ASP A 33 -7.171 9.141 -8.821 1.00 54.01 O ATOM 503 OD2 ASP A 33 -9.024 8.040 -8.487 1.00 73.24 O ATOM 0 H ASP A 33 -7.262 8.907 -4.165 1.00 4.23 H new ATOM 0 HA ASP A 33 -8.592 7.003 -5.857 1.00 30.42 H new ATOM 0 HB2 ASP A 33 -8.835 9.421 -6.185 1.00 62.34 H new ATOM 0 HB3 ASP A 33 -7.103 9.619 -6.362 1.00 62.34 H new ATOM 508 N LYS A 34 -6.767 5.560 -6.676 1.00 21.23 N ATOM 509 CA LYS A 34 -5.758 4.658 -7.263 1.00 53.01 C ATOM 510 C LYS A 34 -5.385 5.060 -8.710 1.00 32.12 C ATOM 511 O LYS A 34 -4.324 4.678 -9.183 1.00 70.21 O ATOM 512 CB LYS A 34 -6.217 3.163 -7.234 1.00 3.11 C ATOM 513 CG LYS A 34 -7.276 2.757 -8.296 1.00 11.42 C ATOM 514 CD LYS A 34 -8.720 3.202 -7.959 1.00 24.32 C ATOM 515 CE LYS A 34 -9.356 2.356 -6.843 1.00 71.22 C ATOM 516 NZ LYS A 34 -10.774 2.717 -6.605 1.00 63.54 N ATOM 0 H LYS A 34 -7.678 5.122 -6.542 1.00 21.23 H new ATOM 0 HA LYS A 34 -4.871 4.760 -6.638 1.00 53.01 H new ATOM 0 HB2 LYS A 34 -5.339 2.531 -7.365 1.00 3.11 H new ATOM 0 HB3 LYS A 34 -6.621 2.946 -6.245 1.00 3.11 H new ATOM 0 HG2 LYS A 34 -6.992 3.185 -9.257 1.00 11.42 H new ATOM 0 HG3 LYS A 34 -7.260 1.673 -8.412 1.00 11.42 H new ATOM 0 HD2 LYS A 34 -8.712 4.249 -7.656 1.00 24.32 H new ATOM 0 HD3 LYS A 34 -9.335 3.135 -8.856 1.00 24.32 H new ATOM 0 HE2 LYS A 34 -9.291 1.301 -7.108 1.00 71.22 H new ATOM 0 HE3 LYS A 34 -8.790 2.489 -5.921 1.00 71.22 H new ATOM 0 HZ1 LYS A 34 -11.161 2.122 -5.845 1.00 63.54 H new ATOM 0 HZ2 LYS A 34 -10.836 3.717 -6.327 1.00 63.54 H new ATOM 0 HZ3 LYS A 34 -11.322 2.566 -7.476 1.00 63.54 H new ATOM 530 N LYS A 35 -6.267 5.812 -9.410 1.00 11.24 N ATOM 531 CA LYS A 35 -6.049 6.184 -10.831 1.00 13.00 C ATOM 532 C LYS A 35 -4.818 7.109 -10.966 1.00 51.42 C ATOM 533 O LYS A 35 -4.028 6.979 -11.910 1.00 32.30 O ATOM 534 CB LYS A 35 -7.315 6.877 -11.412 1.00 30.53 C ATOM 535 CG LYS A 35 -8.669 6.138 -11.183 1.00 50.13 C ATOM 536 CD LYS A 35 -8.956 4.944 -12.137 1.00 40.02 C ATOM 537 CE LYS A 35 -8.203 3.647 -11.792 1.00 1.30 C ATOM 538 NZ LYS A 35 -8.627 2.511 -12.644 1.00 4.22 N ATOM 0 H LYS A 35 -7.136 6.173 -9.016 1.00 11.24 H new ATOM 0 HA LYS A 35 -5.861 5.274 -11.400 1.00 13.00 H new ATOM 0 HB2 LYS A 35 -7.390 7.874 -10.977 1.00 30.53 H new ATOM 0 HB3 LYS A 35 -7.173 7.007 -12.485 1.00 30.53 H new ATOM 0 HG2 LYS A 35 -8.693 5.773 -10.156 1.00 50.13 H new ATOM 0 HG3 LYS A 35 -9.478 6.862 -11.283 1.00 50.13 H new ATOM 0 HD2 LYS A 35 -10.027 4.739 -12.128 1.00 40.02 H new ATOM 0 HD3 LYS A 35 -8.696 5.239 -13.154 1.00 40.02 H new ATOM 0 HE2 LYS A 35 -7.132 3.808 -11.911 1.00 1.30 H new ATOM 0 HE3 LYS A 35 -8.374 3.397 -10.745 1.00 1.30 H new ATOM 0 HZ1 LYS A 35 -8.094 1.659 -12.377 1.00 4.22 H new ATOM 0 HZ2 LYS A 35 -9.644 2.339 -12.512 1.00 4.22 H new ATOM 0 HZ3 LYS A 35 -8.441 2.737 -13.642 1.00 4.22 H new ATOM 552 N GLU A 36 -4.678 8.022 -9.984 1.00 3.15 N ATOM 553 CA GLU A 36 -3.501 8.895 -9.825 1.00 4.14 C ATOM 554 C GLU A 36 -2.236 8.052 -9.610 1.00 22.02 C ATOM 555 O GLU A 36 -1.211 8.266 -10.255 1.00 4.23 O ATOM 556 CB GLU A 36 -3.708 9.846 -8.610 1.00 2.32 C ATOM 557 CG GLU A 36 -2.487 10.735 -8.266 1.00 31.11 C ATOM 558 CD GLU A 36 -2.645 11.503 -6.950 1.00 4.42 C ATOM 559 OE1 GLU A 36 -2.899 12.730 -6.971 1.00 23.30 O ATOM 560 OE2 GLU A 36 -2.536 10.867 -5.881 1.00 43.42 O ATOM 0 H GLU A 36 -5.390 8.175 -9.270 1.00 3.15 H new ATOM 0 HA GLU A 36 -3.381 9.487 -10.732 1.00 4.14 H new ATOM 0 HB2 GLU A 36 -4.563 10.490 -8.813 1.00 2.32 H new ATOM 0 HB3 GLU A 36 -3.961 9.246 -7.736 1.00 2.32 H new ATOM 0 HG2 GLU A 36 -1.596 10.109 -8.208 1.00 31.11 H new ATOM 0 HG3 GLU A 36 -2.325 11.446 -9.076 1.00 31.11 H new ATOM 567 N ILE A 37 -2.363 7.086 -8.691 1.00 41.32 N ATOM 568 CA ILE A 37 -1.271 6.213 -8.256 1.00 74.42 C ATOM 569 C ILE A 37 -0.679 5.407 -9.424 1.00 24.11 C ATOM 570 O ILE A 37 0.528 5.437 -9.644 1.00 61.42 O ATOM 571 CB ILE A 37 -1.793 5.236 -7.147 1.00 25.15 C ATOM 572 CG1 ILE A 37 -2.239 6.023 -5.881 1.00 15.21 C ATOM 573 CG2 ILE A 37 -0.752 4.162 -6.803 1.00 63.13 C ATOM 574 CD1 ILE A 37 -1.145 6.830 -5.219 1.00 71.31 C ATOM 0 H ILE A 37 -3.246 6.888 -8.221 1.00 41.32 H new ATOM 0 HA ILE A 37 -0.477 6.844 -7.856 1.00 74.42 H new ATOM 0 HB ILE A 37 -2.666 4.719 -7.545 1.00 25.15 H new ATOM 0 HG12 ILE A 37 -3.052 6.695 -6.156 1.00 15.21 H new ATOM 0 HG13 ILE A 37 -2.641 5.317 -5.154 1.00 15.21 H new ATOM 0 HG21 ILE A 37 -1.150 3.504 -6.031 1.00 63.13 H new ATOM 0 HG22 ILE A 37 -0.523 3.578 -7.695 1.00 63.13 H new ATOM 0 HG23 ILE A 37 0.157 4.640 -6.439 1.00 63.13 H new ATOM 0 HD11 ILE A 37 -1.549 7.344 -4.347 1.00 71.31 H new ATOM 0 HD12 ILE A 37 -0.340 6.165 -4.908 1.00 71.31 H new ATOM 0 HD13 ILE A 37 -0.757 7.564 -5.925 1.00 71.31 H new ATOM 586 N ILE A 38 -1.564 4.711 -10.162 1.00 51.21 N ATOM 587 CA ILE A 38 -1.193 3.833 -11.289 1.00 22.22 C ATOM 588 C ILE A 38 -0.471 4.641 -12.378 1.00 73.53 C ATOM 589 O ILE A 38 0.496 4.156 -12.971 1.00 14.40 O ATOM 590 CB ILE A 38 -2.475 3.112 -11.864 1.00 12.23 C ATOM 591 CG1 ILE A 38 -3.121 2.216 -10.757 1.00 45.04 C ATOM 592 CG2 ILE A 38 -2.161 2.286 -13.138 1.00 0.21 C ATOM 593 CD1 ILE A 38 -4.498 1.677 -11.092 1.00 61.14 C ATOM 0 H ILE A 38 -2.569 4.743 -9.991 1.00 51.21 H new ATOM 0 HA ILE A 38 -0.507 3.065 -10.931 1.00 22.22 H new ATOM 0 HB ILE A 38 -3.188 3.882 -12.161 1.00 12.23 H new ATOM 0 HG12 ILE A 38 -2.457 1.375 -10.558 1.00 45.04 H new ATOM 0 HG13 ILE A 38 -3.188 2.795 -9.836 1.00 45.04 H new ATOM 0 HG21 ILE A 38 -3.073 1.809 -13.496 1.00 0.21 H new ATOM 0 HG22 ILE A 38 -1.768 2.946 -13.912 1.00 0.21 H new ATOM 0 HG23 ILE A 38 -1.420 1.522 -12.903 1.00 0.21 H new ATOM 0 HD11 ILE A 38 -4.862 1.068 -10.264 1.00 61.14 H new ATOM 0 HD12 ILE A 38 -5.183 2.508 -11.260 1.00 61.14 H new ATOM 0 HD13 ILE A 38 -4.440 1.067 -11.993 1.00 61.14 H new ATOM 605 N ASP A 39 -0.928 5.899 -12.567 1.00 11.55 N ATOM 606 CA ASP A 39 -0.310 6.863 -13.494 1.00 44.24 C ATOM 607 C ASP A 39 1.131 7.187 -13.067 1.00 33.02 C ATOM 608 O ASP A 39 2.046 7.168 -13.891 1.00 60.40 O ATOM 609 CB ASP A 39 -1.159 8.163 -13.574 1.00 31.13 C ATOM 610 CG ASP A 39 -0.458 9.293 -14.343 1.00 24.05 C ATOM 611 OD1 ASP A 39 -0.303 9.182 -15.575 1.00 21.12 O ATOM 612 OD2 ASP A 39 -0.015 10.277 -13.715 1.00 41.51 O ATOM 0 H ASP A 39 -1.741 6.272 -12.076 1.00 11.55 H new ATOM 0 HA ASP A 39 -0.277 6.409 -14.484 1.00 44.24 H new ATOM 0 HB2 ASP A 39 -2.111 7.939 -14.056 1.00 31.13 H new ATOM 0 HB3 ASP A 39 -1.386 8.505 -12.564 1.00 31.13 H new ATOM 617 N ARG A 40 1.318 7.466 -11.772 1.00 61.53 N ATOM 618 CA ARG A 40 2.638 7.813 -11.209 1.00 74.30 C ATOM 619 C ARG A 40 3.585 6.600 -11.236 1.00 44.13 C ATOM 620 O ARG A 40 4.790 6.756 -11.395 1.00 35.53 O ATOM 621 CB ARG A 40 2.475 8.377 -9.777 1.00 2.24 C ATOM 622 CG ARG A 40 1.652 9.674 -9.740 1.00 2.34 C ATOM 623 CD ARG A 40 1.580 10.337 -8.358 1.00 4.43 C ATOM 624 NE ARG A 40 1.013 11.695 -8.459 1.00 62.40 N ATOM 625 CZ ARG A 40 0.875 12.566 -7.449 1.00 31.40 C ATOM 626 NH1 ARG A 40 1.250 12.260 -6.212 1.00 52.03 N ATOM 627 NH2 ARG A 40 0.377 13.764 -7.693 1.00 33.22 N ATOM 0 H ARG A 40 0.566 7.459 -11.083 1.00 61.53 H new ATOM 0 HA ARG A 40 3.090 8.588 -11.828 1.00 74.30 H new ATOM 0 HB2 ARG A 40 1.993 7.628 -9.149 1.00 2.24 H new ATOM 0 HB3 ARG A 40 3.460 8.565 -9.351 1.00 2.24 H new ATOM 0 HG2 ARG A 40 2.081 10.383 -10.448 1.00 2.34 H new ATOM 0 HG3 ARG A 40 0.639 9.458 -10.079 1.00 2.34 H new ATOM 0 HD2 ARG A 40 0.968 9.731 -7.690 1.00 4.43 H new ATOM 0 HD3 ARG A 40 2.577 10.386 -7.920 1.00 4.43 H new ATOM 0 HE ARG A 40 0.697 11.999 -9.380 1.00 62.40 H new ATOM 0 HH11 ARG A 40 1.654 11.345 -6.013 1.00 52.03 H new ATOM 0 HH12 ARG A 40 1.134 12.940 -5.461 1.00 52.03 H new ATOM 0 HH21 ARG A 40 0.102 14.018 -8.642 1.00 33.22 H new ATOM 0 HH22 ARG A 40 0.267 14.435 -6.933 1.00 33.22 H new ATOM 641 N LEU A 41 3.016 5.396 -11.109 1.00 24.14 N ATOM 642 CA LEU A 41 3.759 4.135 -11.228 1.00 11.41 C ATOM 643 C LEU A 41 4.234 3.911 -12.682 1.00 45.11 C ATOM 644 O LEU A 41 5.324 3.360 -12.894 1.00 72.25 O ATOM 645 CB LEU A 41 2.880 2.963 -10.732 1.00 2.15 C ATOM 646 CG LEU A 41 2.569 2.931 -9.202 1.00 44.24 C ATOM 647 CD1 LEU A 41 1.528 1.844 -8.858 1.00 70.25 C ATOM 648 CD2 LEU A 41 3.855 2.738 -8.374 1.00 4.35 C ATOM 0 H LEU A 41 2.022 5.268 -10.920 1.00 24.14 H new ATOM 0 HA LEU A 41 4.650 4.186 -10.602 1.00 11.41 H new ATOM 0 HB2 LEU A 41 1.934 2.992 -11.273 1.00 2.15 H new ATOM 0 HB3 LEU A 41 3.372 2.028 -11.001 1.00 2.15 H new ATOM 0 HG LEU A 41 2.140 3.898 -8.939 1.00 44.24 H new ATOM 0 HD11 LEU A 41 1.336 1.851 -7.785 1.00 70.25 H new ATOM 0 HD12 LEU A 41 0.601 2.046 -9.394 1.00 70.25 H new ATOM 0 HD13 LEU A 41 1.911 0.867 -9.152 1.00 70.25 H new ATOM 0 HD21 LEU A 41 3.605 2.720 -7.313 1.00 4.35 H new ATOM 0 HD22 LEU A 41 4.328 1.796 -8.651 1.00 4.35 H new ATOM 0 HD23 LEU A 41 4.542 3.561 -8.571 1.00 4.35 H new ATOM 660 N LYS A 42 3.416 4.358 -13.679 1.00 65.13 N ATOM 661 CA LYS A 42 3.789 4.322 -15.123 1.00 61.33 C ATOM 662 C LYS A 42 5.076 5.121 -15.366 1.00 51.43 C ATOM 663 O LYS A 42 5.942 4.718 -16.149 1.00 53.41 O ATOM 664 CB LYS A 42 2.673 4.921 -16.034 1.00 4.55 C ATOM 665 CG LYS A 42 1.327 4.181 -16.010 1.00 73.51 C ATOM 666 CD LYS A 42 0.220 4.936 -16.783 1.00 4.31 C ATOM 667 CE LYS A 42 -1.160 4.264 -16.649 1.00 12.20 C ATOM 668 NZ LYS A 42 -1.201 2.910 -17.263 1.00 62.03 N ATOM 0 H LYS A 42 2.490 4.749 -13.506 1.00 65.13 H new ATOM 0 HA LYS A 42 3.932 3.272 -15.378 1.00 61.33 H new ATOM 0 HB2 LYS A 42 2.503 5.956 -15.737 1.00 4.55 H new ATOM 0 HB3 LYS A 42 3.038 4.940 -17.061 1.00 4.55 H new ATOM 0 HG2 LYS A 42 1.454 3.188 -16.442 1.00 73.51 H new ATOM 0 HG3 LYS A 42 1.012 4.041 -14.976 1.00 73.51 H new ATOM 0 HD2 LYS A 42 0.159 5.960 -16.415 1.00 4.31 H new ATOM 0 HD3 LYS A 42 0.492 4.992 -17.837 1.00 4.31 H new ATOM 0 HE2 LYS A 42 -1.422 4.188 -15.594 1.00 12.20 H new ATOM 0 HE3 LYS A 42 -1.914 4.895 -17.120 1.00 12.20 H new ATOM 0 HZ1 LYS A 42 -2.151 2.504 -17.145 1.00 62.03 H new ATOM 0 HZ2 LYS A 42 -0.979 2.982 -18.276 1.00 62.03 H new ATOM 0 HZ3 LYS A 42 -0.502 2.297 -16.798 1.00 62.03 H new ATOM 682 N ARG A 43 5.170 6.266 -14.675 1.00 34.14 N ATOM 683 CA ARG A 43 6.265 7.239 -14.838 1.00 2.22 C ATOM 684 C ARG A 43 7.458 6.909 -13.912 1.00 13.24 C ATOM 685 O ARG A 43 8.499 7.567 -14.003 1.00 73.42 O ATOM 686 CB ARG A 43 5.735 8.668 -14.534 1.00 1.43 C ATOM 687 CG ARG A 43 4.382 9.004 -15.189 1.00 42.23 C ATOM 688 CD ARG A 43 3.921 10.444 -14.926 1.00 25.44 C ATOM 689 NE ARG A 43 2.536 10.672 -15.366 1.00 13.54 N ATOM 690 CZ ARG A 43 2.051 11.820 -15.864 1.00 1.33 C ATOM 691 NH1 ARG A 43 2.825 12.893 -16.010 1.00 53.50 N ATOM 692 NH2 ARG A 43 0.768 11.890 -16.185 1.00 62.30 N ATOM 0 H ARG A 43 4.480 6.548 -13.978 1.00 34.14 H new ATOM 0 HA ARG A 43 6.620 7.187 -15.867 1.00 2.22 H new ATOM 0 HB2 ARG A 43 5.640 8.784 -13.454 1.00 1.43 H new ATOM 0 HB3 ARG A 43 6.476 9.395 -14.868 1.00 1.43 H new ATOM 0 HG2 ARG A 43 4.458 8.845 -16.265 1.00 42.23 H new ATOM 0 HG3 ARG A 43 3.625 8.314 -14.817 1.00 42.23 H new ATOM 0 HD2 ARG A 43 4.003 10.661 -13.861 1.00 25.44 H new ATOM 0 HD3 ARG A 43 4.584 11.137 -15.444 1.00 25.44 H new ATOM 0 HE ARG A 43 1.887 9.889 -15.286 1.00 13.54 H new ATOM 0 HH11 ARG A 43 3.808 12.853 -15.741 1.00 53.50 H new ATOM 0 HH12 ARG A 43 2.435 13.755 -16.391 1.00 53.50 H new ATOM 0 HH21 ARG A 43 0.164 11.079 -16.053 1.00 62.30 H new ATOM 0 HH22 ARG A 43 0.384 12.755 -16.565 1.00 62.30 H new ATOM 706 N ARG A 44 7.266 5.920 -13.007 1.00 54.44 N ATOM 707 CA ARG A 44 8.249 5.531 -11.967 1.00 54.21 C ATOM 708 C ARG A 44 8.478 6.722 -10.991 1.00 75.53 C ATOM 709 O ARG A 44 9.568 6.907 -10.451 1.00 33.05 O ATOM 710 CB ARG A 44 9.593 4.997 -12.612 1.00 71.13 C ATOM 711 CG ARG A 44 10.252 3.779 -11.900 1.00 23.33 C ATOM 712 CD ARG A 44 10.693 4.050 -10.450 1.00 41.45 C ATOM 713 NE ARG A 44 11.214 2.856 -9.773 1.00 11.12 N ATOM 714 CZ ARG A 44 11.902 2.870 -8.616 1.00 23.54 C ATOM 715 NH1 ARG A 44 12.170 4.012 -7.995 1.00 1.01 N ATOM 716 NH2 ARG A 44 12.301 1.738 -8.076 1.00 33.54 N ATOM 0 H ARG A 44 6.412 5.362 -12.978 1.00 54.44 H new ATOM 0 HA ARG A 44 7.848 4.700 -11.387 1.00 54.21 H new ATOM 0 HB2 ARG A 44 9.392 4.723 -13.648 1.00 71.13 H new ATOM 0 HB3 ARG A 44 10.313 5.815 -12.632 1.00 71.13 H new ATOM 0 HG2 ARG A 44 9.547 2.947 -11.903 1.00 23.33 H new ATOM 0 HG3 ARG A 44 11.121 3.463 -12.478 1.00 23.33 H new ATOM 0 HD2 ARG A 44 11.460 4.825 -10.449 1.00 41.45 H new ATOM 0 HD3 ARG A 44 9.846 4.439 -9.886 1.00 41.45 H new ATOM 0 HE ARG A 44 11.042 1.951 -10.211 1.00 11.12 H new ATOM 0 HH11 ARG A 44 11.854 4.896 -8.394 1.00 1.01 H new ATOM 0 HH12 ARG A 44 12.692 4.006 -7.119 1.00 1.01 H new ATOM 0 HH21 ARG A 44 12.089 0.852 -8.534 1.00 33.54 H new ATOM 0 HH22 ARG A 44 12.822 1.747 -7.199 1.00 33.54 H new ATOM 730 N ASN A 45 7.429 7.536 -10.801 1.00 22.31 N ATOM 731 CA ASN A 45 7.418 8.638 -9.819 1.00 41.34 C ATOM 732 C ASN A 45 7.472 8.094 -8.387 1.00 3.10 C ATOM 733 O ASN A 45 8.032 8.738 -7.508 1.00 20.22 O ATOM 734 CB ASN A 45 6.154 9.528 -9.993 1.00 50.45 C ATOM 735 CG ASN A 45 6.088 10.309 -11.308 1.00 73.14 C ATOM 736 OD1 ASN A 45 5.001 10.576 -11.818 1.00 53.31 O ATOM 737 ND2 ASN A 45 7.226 10.703 -11.862 1.00 30.33 N ATOM 0 H ASN A 45 6.558 7.450 -11.326 1.00 22.31 H new ATOM 0 HA ASN A 45 8.304 9.247 -10.000 1.00 41.34 H new ATOM 0 HB2 ASN A 45 5.270 8.895 -9.919 1.00 50.45 H new ATOM 0 HB3 ASN A 45 6.110 10.236 -9.165 1.00 50.45 H new ATOM 0 HD21 ASN A 45 7.212 11.239 -12.729 1.00 30.33 H new ATOM 0 HD22 ASN A 45 8.116 10.470 -11.421 1.00 30.33 H new ATOM 744 N ILE A 46 6.906 6.884 -8.184 1.00 20.21 N ATOM 745 CA ILE A 46 6.808 6.236 -6.863 1.00 45.22 C ATOM 746 C ILE A 46 7.894 5.142 -6.749 1.00 73.32 C ATOM 747 O ILE A 46 8.011 4.283 -7.629 1.00 45.41 O ATOM 748 CB ILE A 46 5.379 5.620 -6.629 1.00 41.31 C ATOM 749 CG1 ILE A 46 4.266 6.709 -6.825 1.00 4.12 C ATOM 750 CG2 ILE A 46 5.278 4.962 -5.231 1.00 41.03 C ATOM 751 CD1 ILE A 46 2.833 6.222 -6.618 1.00 23.44 C ATOM 0 H ILE A 46 6.503 6.328 -8.938 1.00 20.21 H new ATOM 0 HA ILE A 46 6.967 6.991 -6.093 1.00 45.22 H new ATOM 0 HB ILE A 46 5.221 4.839 -7.373 1.00 41.31 H new ATOM 0 HG12 ILE A 46 4.457 7.529 -6.133 1.00 4.12 H new ATOM 0 HG13 ILE A 46 4.352 7.116 -7.833 1.00 4.12 H new ATOM 0 HG21 ILE A 46 4.280 4.545 -5.097 1.00 41.03 H new ATOM 0 HG22 ILE A 46 6.018 4.166 -5.149 1.00 41.03 H new ATOM 0 HG23 ILE A 46 5.465 5.711 -4.462 1.00 41.03 H new ATOM 0 HD11 ILE A 46 2.141 7.049 -6.776 1.00 23.44 H new ATOM 0 HD12 ILE A 46 2.614 5.424 -7.328 1.00 23.44 H new ATOM 0 HD13 ILE A 46 2.720 5.844 -5.602 1.00 23.44 H new ATOM 763 N ASP A 47 8.690 5.204 -5.662 1.00 35.22 N ATOM 764 CA ASP A 47 9.801 4.254 -5.401 1.00 23.33 C ATOM 765 C ASP A 47 9.348 3.116 -4.474 1.00 34.04 C ATOM 766 O ASP A 47 9.829 1.982 -4.584 1.00 41.33 O ATOM 767 CB ASP A 47 11.007 5.013 -4.794 1.00 2.40 C ATOM 768 CG ASP A 47 12.160 4.098 -4.348 1.00 1.51 C ATOM 769 OD1 ASP A 47 12.756 3.409 -5.204 1.00 32.42 O ATOM 770 OD2 ASP A 47 12.471 4.042 -3.134 1.00 42.31 O ATOM 0 H ASP A 47 8.584 5.914 -4.937 1.00 35.22 H new ATOM 0 HA ASP A 47 10.106 3.805 -6.346 1.00 23.33 H new ATOM 0 HB2 ASP A 47 11.384 5.723 -5.530 1.00 2.40 H new ATOM 0 HB3 ASP A 47 10.664 5.593 -3.937 1.00 2.40 H new ATOM 775 N MET A 48 8.446 3.438 -3.548 1.00 34.32 N ATOM 776 CA MET A 48 7.879 2.476 -2.593 1.00 75.40 C ATOM 777 C MET A 48 6.473 2.930 -2.207 1.00 71.40 C ATOM 778 O MET A 48 6.237 4.122 -1.987 1.00 23.24 O ATOM 779 CB MET A 48 8.798 2.308 -1.350 1.00 63.14 C ATOM 780 CG MET A 48 9.143 3.601 -0.601 1.00 4.25 C ATOM 781 SD MET A 48 10.409 3.364 0.669 1.00 42.23 S ATOM 782 CE MET A 48 9.634 2.171 1.759 1.00 63.41 C ATOM 0 H MET A 48 8.082 4.384 -3.435 1.00 34.32 H new ATOM 0 HA MET A 48 7.814 1.494 -3.061 1.00 75.40 H new ATOM 0 HB2 MET A 48 8.315 1.624 -0.653 1.00 63.14 H new ATOM 0 HB3 MET A 48 9.727 1.835 -1.669 1.00 63.14 H new ATOM 0 HG2 MET A 48 9.488 4.348 -1.316 1.00 4.25 H new ATOM 0 HG3 MET A 48 8.240 3.998 -0.137 1.00 4.25 H new ATOM 0 HE1 MET A 48 10.206 2.098 2.684 1.00 63.41 H new ATOM 0 HE2 MET A 48 8.617 2.492 1.985 1.00 63.41 H new ATOM 0 HE3 MET A 48 9.607 1.196 1.272 1.00 63.41 H new ATOM 792 N ILE A 49 5.538 1.977 -2.138 1.00 45.43 N ATOM 793 CA ILE A 49 4.124 2.266 -1.880 1.00 54.33 C ATOM 794 C ILE A 49 3.503 1.182 -0.990 1.00 53.40 C ATOM 795 O ILE A 49 3.933 0.031 -0.996 1.00 22.20 O ATOM 796 CB ILE A 49 3.310 2.418 -3.222 1.00 42.14 C ATOM 797 CG1 ILE A 49 1.822 2.795 -2.934 1.00 2.34 C ATOM 798 CG2 ILE A 49 3.418 1.151 -4.103 1.00 42.14 C ATOM 799 CD1 ILE A 49 0.971 3.005 -4.154 1.00 74.34 C ATOM 0 H ILE A 49 5.740 0.985 -2.259 1.00 45.43 H new ATOM 0 HA ILE A 49 4.073 3.219 -1.353 1.00 54.33 H new ATOM 0 HB ILE A 49 3.755 3.236 -3.788 1.00 42.14 H new ATOM 0 HG12 ILE A 49 1.374 2.007 -2.329 1.00 2.34 H new ATOM 0 HG13 ILE A 49 1.803 3.706 -2.336 1.00 2.34 H new ATOM 0 HG21 ILE A 49 2.844 1.294 -5.018 1.00 42.14 H new ATOM 0 HG22 ILE A 49 4.463 0.971 -4.354 1.00 42.14 H new ATOM 0 HG23 ILE A 49 3.023 0.294 -3.558 1.00 42.14 H new ATOM 0 HD11 ILE A 49 -0.044 3.262 -3.850 1.00 74.34 H new ATOM 0 HD12 ILE A 49 1.387 3.815 -4.753 1.00 74.34 H new ATOM 0 HD13 ILE A 49 0.951 2.090 -4.746 1.00 74.34 H new ATOM 811 N ILE A 50 2.511 1.589 -0.184 1.00 33.22 N ATOM 812 CA ILE A 50 1.739 0.701 0.686 1.00 71.24 C ATOM 813 C ILE A 50 0.250 0.938 0.408 1.00 65.31 C ATOM 814 O ILE A 50 -0.249 2.044 0.606 1.00 11.24 O ATOM 815 CB ILE A 50 2.081 0.976 2.190 1.00 0.21 C ATOM 816 CG1 ILE A 50 3.618 0.820 2.419 1.00 24.24 C ATOM 817 CG2 ILE A 50 1.263 0.053 3.128 1.00 1.45 C ATOM 818 CD1 ILE A 50 4.106 1.213 3.783 1.00 71.11 C ATOM 0 H ILE A 50 2.220 2.565 -0.120 1.00 33.22 H new ATOM 0 HA ILE A 50 1.989 -0.340 0.481 1.00 71.24 H new ATOM 0 HB ILE A 50 1.801 2.001 2.435 1.00 0.21 H new ATOM 0 HG12 ILE A 50 3.892 -0.219 2.239 1.00 24.24 H new ATOM 0 HG13 ILE A 50 4.142 1.421 1.676 1.00 24.24 H new ATOM 0 HG21 ILE A 50 1.522 0.267 4.165 1.00 1.45 H new ATOM 0 HG22 ILE A 50 0.198 0.231 2.975 1.00 1.45 H new ATOM 0 HG23 ILE A 50 1.493 -0.989 2.904 1.00 1.45 H new ATOM 0 HD11 ILE A 50 5.185 1.068 3.839 1.00 71.11 H new ATOM 0 HD12 ILE A 50 3.871 2.262 3.965 1.00 71.11 H new ATOM 0 HD13 ILE A 50 3.617 0.595 4.536 1.00 71.11 H new ATOM 830 N VAL A 51 -0.432 -0.098 -0.091 1.00 11.42 N ATOM 831 CA VAL A 51 -1.843 -0.038 -0.502 1.00 30.13 C ATOM 832 C VAL A 51 -2.718 -0.795 0.509 1.00 51.33 C ATOM 833 O VAL A 51 -2.620 -2.016 0.622 1.00 35.24 O ATOM 834 CB VAL A 51 -2.032 -0.641 -1.940 1.00 21.04 C ATOM 835 CG1 VAL A 51 -3.509 -0.578 -2.403 1.00 54.43 C ATOM 836 CG2 VAL A 51 -1.103 0.063 -2.951 1.00 74.04 C ATOM 0 H VAL A 51 -0.014 -1.019 -0.224 1.00 11.42 H new ATOM 0 HA VAL A 51 -2.150 1.008 -0.527 1.00 30.13 H new ATOM 0 HB VAL A 51 -1.756 -1.694 -1.894 1.00 21.04 H new ATOM 0 HG11 VAL A 51 -3.596 -1.005 -3.402 1.00 54.43 H new ATOM 0 HG12 VAL A 51 -4.132 -1.145 -1.711 1.00 54.43 H new ATOM 0 HG13 VAL A 51 -3.840 0.460 -2.422 1.00 54.43 H new ATOM 0 HG21 VAL A 51 -1.249 -0.369 -3.941 1.00 74.04 H new ATOM 0 HG22 VAL A 51 -1.338 1.127 -2.981 1.00 74.04 H new ATOM 0 HG23 VAL A 51 -0.065 -0.071 -2.646 1.00 74.04 H new ATOM 846 N LYS A 52 -3.555 -0.057 1.249 1.00 51.02 N ATOM 847 CA LYS A 52 -4.573 -0.632 2.122 1.00 71.12 C ATOM 848 C LYS A 52 -5.941 -0.489 1.444 1.00 62.00 C ATOM 849 O LYS A 52 -6.470 0.612 1.341 1.00 62.41 O ATOM 850 CB LYS A 52 -4.582 0.058 3.509 1.00 71.53 C ATOM 851 CG LYS A 52 -5.719 -0.426 4.448 1.00 12.33 C ATOM 852 CD LYS A 52 -5.660 -1.938 4.737 1.00 53.23 C ATOM 853 CE LYS A 52 -6.831 -2.428 5.589 1.00 22.21 C ATOM 854 NZ LYS A 52 -8.142 -2.159 4.949 1.00 45.34 N ATOM 0 H LYS A 52 -3.541 0.963 1.255 1.00 51.02 H new ATOM 0 HA LYS A 52 -4.347 -1.686 2.286 1.00 71.12 H new ATOM 0 HB2 LYS A 52 -3.623 -0.117 3.997 1.00 71.53 H new ATOM 0 HB3 LYS A 52 -4.676 1.135 3.367 1.00 71.53 H new ATOM 0 HG2 LYS A 52 -5.662 0.120 5.389 1.00 12.33 H new ATOM 0 HG3 LYS A 52 -6.682 -0.185 3.997 1.00 12.33 H new ATOM 0 HD2 LYS A 52 -5.651 -2.483 3.793 1.00 53.23 H new ATOM 0 HD3 LYS A 52 -4.725 -2.169 5.247 1.00 53.23 H new ATOM 0 HE2 LYS A 52 -6.727 -3.499 5.764 1.00 22.21 H new ATOM 0 HE3 LYS A 52 -6.798 -1.941 6.563 1.00 22.21 H new ATOM 0 HZ1 LYS A 52 -8.908 -2.446 5.592 1.00 45.34 H new ATOM 0 HZ2 LYS A 52 -8.226 -1.143 4.743 1.00 45.34 H new ATOM 0 HZ3 LYS A 52 -8.213 -2.699 4.063 1.00 45.34 H new ATOM 868 N THR A 53 -6.473 -1.606 0.957 1.00 4.10 N ATOM 869 CA THR A 53 -7.837 -1.699 0.427 1.00 21.42 C ATOM 870 C THR A 53 -8.160 -3.168 0.165 1.00 1.45 C ATOM 871 O THR A 53 -7.266 -4.011 0.141 1.00 52.45 O ATOM 872 CB THR A 53 -8.059 -0.851 -0.884 1.00 25.44 C ATOM 873 OG1 THR A 53 -9.436 -0.916 -1.297 1.00 4.32 O ATOM 874 CG2 THR A 53 -7.160 -1.307 -2.045 1.00 31.22 C ATOM 0 H THR A 53 -5.963 -2.489 0.917 1.00 4.10 H new ATOM 0 HA THR A 53 -8.510 -1.278 1.174 1.00 21.42 H new ATOM 0 HB THR A 53 -7.789 0.176 -0.638 1.00 25.44 H new ATOM 0 HG1 THR A 53 -9.559 -0.384 -2.111 1.00 4.32 H new ATOM 0 HG21 THR A 53 -7.355 -0.689 -2.921 1.00 31.22 H new ATOM 0 HG22 THR A 53 -6.114 -1.207 -1.756 1.00 31.22 H new ATOM 0 HG23 THR A 53 -7.373 -2.349 -2.282 1.00 31.22 H new ATOM 882 N GLU A 54 -9.445 -3.461 0.029 1.00 3.00 N ATOM 883 CA GLU A 54 -9.942 -4.803 -0.317 1.00 2.53 C ATOM 884 C GLU A 54 -10.329 -4.854 -1.802 1.00 40.52 C ATOM 885 O GLU A 54 -10.692 -5.915 -2.320 1.00 73.20 O ATOM 886 CB GLU A 54 -11.161 -5.169 0.575 1.00 52.11 C ATOM 887 CG GLU A 54 -10.846 -5.365 2.076 1.00 12.25 C ATOM 888 CD GLU A 54 -10.393 -4.090 2.808 1.00 50.21 C ATOM 889 OE1 GLU A 54 -9.221 -4.018 3.236 1.00 13.51 O ATOM 890 OE2 GLU A 54 -11.201 -3.137 2.915 1.00 24.00 O ATOM 0 H GLU A 54 -10.187 -2.773 0.155 1.00 3.00 H new ATOM 0 HA GLU A 54 -9.151 -5.531 -0.138 1.00 2.53 H new ATOM 0 HB2 GLU A 54 -11.911 -4.384 0.477 1.00 52.11 H new ATOM 0 HB3 GLU A 54 -11.608 -6.086 0.192 1.00 52.11 H new ATOM 0 HG2 GLU A 54 -11.734 -5.757 2.572 1.00 12.25 H new ATOM 0 HG3 GLU A 54 -10.067 -6.121 2.174 1.00 12.25 H new ATOM 897 N ASP A 55 -10.251 -3.695 -2.486 1.00 35.13 N ATOM 898 CA ASP A 55 -10.580 -3.584 -3.913 1.00 11.31 C ATOM 899 C ASP A 55 -9.490 -4.287 -4.740 1.00 21.55 C ATOM 900 O ASP A 55 -8.460 -3.691 -5.062 1.00 60.12 O ATOM 901 CB ASP A 55 -10.743 -2.093 -4.316 1.00 34.05 C ATOM 902 CG ASP A 55 -11.225 -1.915 -5.762 1.00 51.11 C ATOM 903 OD1 ASP A 55 -10.398 -1.652 -6.659 1.00 13.33 O ATOM 904 OD2 ASP A 55 -12.440 -2.064 -6.012 1.00 33.12 O ATOM 0 H ASP A 55 -9.959 -2.814 -2.062 1.00 35.13 H new ATOM 0 HA ASP A 55 -11.532 -4.076 -4.114 1.00 11.31 H new ATOM 0 HB2 ASP A 55 -11.452 -1.615 -3.640 1.00 34.05 H new ATOM 0 HB3 ASP A 55 -9.789 -1.581 -4.191 1.00 34.05 H new ATOM 909 N LYS A 56 -9.725 -5.582 -5.024 1.00 30.10 N ATOM 910 CA LYS A 56 -8.759 -6.477 -5.704 1.00 53.42 C ATOM 911 C LYS A 56 -8.297 -5.919 -7.060 1.00 5.34 C ATOM 912 O LYS A 56 -7.162 -6.161 -7.482 1.00 33.45 O ATOM 913 CB LYS A 56 -9.390 -7.872 -5.905 1.00 15.12 C ATOM 914 CG LYS A 56 -9.905 -8.520 -4.605 1.00 54.50 C ATOM 915 CD LYS A 56 -10.484 -9.930 -4.820 1.00 52.41 C ATOM 916 CE LYS A 56 -11.663 -9.961 -5.811 1.00 63.00 C ATOM 917 NZ LYS A 56 -12.797 -9.106 -5.373 1.00 33.14 N ATOM 0 H LYS A 56 -10.602 -6.046 -4.786 1.00 30.10 H new ATOM 0 HA LYS A 56 -7.880 -6.550 -5.064 1.00 53.42 H new ATOM 0 HB2 LYS A 56 -10.218 -7.787 -6.609 1.00 15.12 H new ATOM 0 HB3 LYS A 56 -8.651 -8.532 -6.360 1.00 15.12 H new ATOM 0 HG2 LYS A 56 -9.088 -8.575 -3.886 1.00 54.50 H new ATOM 0 HG3 LYS A 56 -10.673 -7.882 -4.167 1.00 54.50 H new ATOM 0 HD2 LYS A 56 -9.695 -10.587 -5.185 1.00 52.41 H new ATOM 0 HD3 LYS A 56 -10.814 -10.330 -3.861 1.00 52.41 H new ATOM 0 HE2 LYS A 56 -11.319 -9.629 -6.791 1.00 63.00 H new ATOM 0 HE3 LYS A 56 -12.010 -10.988 -5.926 1.00 63.00 H new ATOM 0 HZ1 LYS A 56 -13.577 -9.188 -6.056 1.00 33.14 H new ATOM 0 HZ2 LYS A 56 -13.123 -9.416 -4.435 1.00 33.14 H new ATOM 0 HZ3 LYS A 56 -12.485 -8.115 -5.321 1.00 33.14 H new ATOM 931 N GLU A 57 -9.207 -5.182 -7.723 1.00 14.53 N ATOM 932 CA GLU A 57 -8.954 -4.542 -9.027 1.00 53.23 C ATOM 933 C GLU A 57 -7.801 -3.523 -8.940 1.00 41.14 C ATOM 934 O GLU A 57 -6.885 -3.554 -9.763 1.00 31.54 O ATOM 935 CB GLU A 57 -10.251 -3.866 -9.542 1.00 4.33 C ATOM 936 CG GLU A 57 -11.417 -4.848 -9.752 1.00 72.31 C ATOM 937 CD GLU A 57 -12.737 -4.153 -10.106 1.00 43.20 C ATOM 938 OE1 GLU A 57 -13.549 -3.883 -9.192 1.00 24.42 O ATOM 939 OE2 GLU A 57 -12.964 -3.859 -11.302 1.00 33.34 O ATOM 0 H GLU A 57 -10.147 -5.013 -7.365 1.00 14.53 H new ATOM 0 HA GLU A 57 -8.652 -5.313 -9.735 1.00 53.23 H new ATOM 0 HB2 GLU A 57 -10.557 -3.098 -8.831 1.00 4.33 H new ATOM 0 HB3 GLU A 57 -10.038 -3.361 -10.484 1.00 4.33 H new ATOM 0 HG2 GLU A 57 -11.157 -5.546 -10.548 1.00 72.31 H new ATOM 0 HG3 GLU A 57 -11.556 -5.436 -8.845 1.00 72.31 H new ATOM 946 N SER A 58 -7.839 -2.648 -7.911 1.00 54.25 N ATOM 947 CA SER A 58 -6.799 -1.623 -7.707 1.00 33.34 C ATOM 948 C SER A 58 -5.488 -2.279 -7.283 1.00 35.04 C ATOM 949 O SER A 58 -4.462 -2.048 -7.914 1.00 75.22 O ATOM 950 CB SER A 58 -7.236 -0.573 -6.666 1.00 53.41 C ATOM 951 OG SER A 58 -7.523 -1.150 -5.407 1.00 3.42 O ATOM 0 H SER A 58 -8.580 -2.634 -7.210 1.00 54.25 H new ATOM 0 HA SER A 58 -6.648 -1.106 -8.655 1.00 33.34 H new ATOM 0 HB2 SER A 58 -6.447 0.171 -6.551 1.00 53.41 H new ATOM 0 HB3 SER A 58 -8.118 -0.048 -7.032 1.00 53.41 H new ATOM 0 HG SER A 58 -7.921 -2.036 -5.536 1.00 3.42 H new ATOM 957 N ILE A 59 -5.571 -3.132 -6.233 1.00 74.12 N ATOM 958 CA ILE A 59 -4.425 -3.866 -5.659 1.00 73.32 C ATOM 959 C ILE A 59 -3.567 -4.518 -6.764 1.00 4.33 C ATOM 960 O ILE A 59 -2.367 -4.249 -6.863 1.00 73.15 O ATOM 961 CB ILE A 59 -4.918 -4.986 -4.664 1.00 61.51 C ATOM 962 CG1 ILE A 59 -5.715 -4.379 -3.471 1.00 44.42 C ATOM 963 CG2 ILE A 59 -3.741 -5.843 -4.158 1.00 52.23 C ATOM 964 CD1 ILE A 59 -6.340 -5.415 -2.546 1.00 3.31 C ATOM 0 H ILE A 59 -6.451 -3.330 -5.757 1.00 74.12 H new ATOM 0 HA ILE A 59 -3.817 -3.141 -5.118 1.00 73.32 H new ATOM 0 HB ILE A 59 -5.594 -5.637 -5.219 1.00 61.51 H new ATOM 0 HG12 ILE A 59 -5.048 -3.744 -2.888 1.00 44.42 H new ATOM 0 HG13 ILE A 59 -6.503 -3.737 -3.864 1.00 44.42 H new ATOM 0 HG21 ILE A 59 -4.114 -6.606 -3.474 1.00 52.23 H new ATOM 0 HG22 ILE A 59 -3.250 -6.323 -5.005 1.00 52.23 H new ATOM 0 HG23 ILE A 59 -3.026 -5.207 -3.637 1.00 52.23 H new ATOM 0 HD11 ILE A 59 -6.876 -4.909 -1.743 1.00 3.31 H new ATOM 0 HD12 ILE A 59 -7.035 -6.036 -3.112 1.00 3.31 H new ATOM 0 HD13 ILE A 59 -5.557 -6.043 -2.121 1.00 3.31 H new ATOM 976 N SER A 60 -4.243 -5.334 -7.597 1.00 53.31 N ATOM 977 CA SER A 60 -3.637 -6.057 -8.716 1.00 73.14 C ATOM 978 C SER A 60 -2.881 -5.102 -9.649 1.00 62.05 C ATOM 979 O SER A 60 -1.698 -5.320 -9.909 1.00 62.22 O ATOM 980 CB SER A 60 -4.725 -6.830 -9.492 1.00 45.42 C ATOM 981 OG SER A 60 -4.189 -7.549 -10.594 1.00 70.12 O ATOM 0 H SER A 60 -5.244 -5.507 -7.503 1.00 53.31 H new ATOM 0 HA SER A 60 -2.914 -6.768 -8.316 1.00 73.14 H new ATOM 0 HB2 SER A 60 -5.227 -7.524 -8.817 1.00 45.42 H new ATOM 0 HB3 SER A 60 -5.480 -6.130 -9.850 1.00 45.42 H new ATOM 0 HG SER A 60 -4.910 -8.025 -11.056 1.00 70.12 H new ATOM 987 N GLU A 61 -3.566 -4.020 -10.093 1.00 72.40 N ATOM 988 CA GLU A 61 -2.990 -3.061 -11.052 1.00 13.04 C ATOM 989 C GLU A 61 -1.739 -2.372 -10.487 1.00 62.45 C ATOM 990 O GLU A 61 -0.753 -2.243 -11.204 1.00 22.40 O ATOM 991 CB GLU A 61 -4.033 -2.012 -11.514 1.00 3.10 C ATOM 992 CG GLU A 61 -5.230 -2.597 -12.289 1.00 24.12 C ATOM 993 CD GLU A 61 -4.821 -3.507 -13.467 1.00 50.21 C ATOM 994 OE1 GLU A 61 -5.050 -4.732 -13.405 1.00 44.53 O ATOM 995 OE2 GLU A 61 -4.262 -2.998 -14.461 1.00 52.42 O ATOM 0 H GLU A 61 -4.516 -3.795 -9.799 1.00 72.40 H new ATOM 0 HA GLU A 61 -2.687 -3.637 -11.926 1.00 13.04 H new ATOM 0 HB2 GLU A 61 -4.408 -1.481 -10.639 1.00 3.10 H new ATOM 0 HB3 GLU A 61 -3.534 -1.275 -12.144 1.00 3.10 H new ATOM 0 HG2 GLU A 61 -5.854 -3.167 -11.600 1.00 24.12 H new ATOM 0 HG3 GLU A 61 -5.841 -1.778 -12.669 1.00 24.12 H new ATOM 1002 N ILE A 62 -1.777 -1.979 -9.190 1.00 71.20 N ATOM 1003 CA ILE A 62 -0.616 -1.366 -8.510 1.00 0.33 C ATOM 1004 C ILE A 62 0.594 -2.315 -8.576 1.00 72.45 C ATOM 1005 O ILE A 62 1.663 -1.898 -9.012 1.00 13.42 O ATOM 1006 CB ILE A 62 -0.916 -0.940 -7.000 1.00 3.43 C ATOM 1007 CG1 ILE A 62 -1.603 0.469 -6.905 1.00 42.44 C ATOM 1008 CG2 ILE A 62 0.370 -0.936 -6.129 1.00 31.25 C ATOM 1009 CD1 ILE A 62 -2.980 0.588 -7.515 1.00 41.21 C ATOM 0 H ILE A 62 -2.601 -2.077 -8.596 1.00 71.20 H new ATOM 0 HA ILE A 62 -0.390 -0.443 -9.044 1.00 0.33 H new ATOM 0 HB ILE A 62 -1.604 -1.693 -6.615 1.00 3.43 H new ATOM 0 HG12 ILE A 62 -1.670 0.746 -5.853 1.00 42.44 H new ATOM 0 HG13 ILE A 62 -0.952 1.199 -7.386 1.00 42.44 H new ATOM 0 HG21 ILE A 62 0.119 -0.640 -5.110 1.00 31.25 H new ATOM 0 HG22 ILE A 62 0.806 -1.935 -6.120 1.00 31.25 H new ATOM 0 HG23 ILE A 62 1.089 -0.230 -6.545 1.00 31.25 H new ATOM 0 HD11 ILE A 62 -3.348 1.606 -7.386 1.00 41.21 H new ATOM 0 HD12 ILE A 62 -2.929 0.352 -8.578 1.00 41.21 H new ATOM 0 HD13 ILE A 62 -3.658 -0.108 -7.021 1.00 41.21 H new ATOM 1021 N ILE A 63 0.392 -3.592 -8.177 1.00 62.33 N ATOM 1022 CA ILE A 63 1.472 -4.603 -8.130 1.00 71.12 C ATOM 1023 C ILE A 63 2.097 -4.795 -9.520 1.00 22.54 C ATOM 1024 O ILE A 63 3.317 -4.794 -9.641 1.00 55.10 O ATOM 1025 CB ILE A 63 0.973 -5.990 -7.595 1.00 74.30 C ATOM 1026 CG1 ILE A 63 0.276 -5.830 -6.217 1.00 23.15 C ATOM 1027 CG2 ILE A 63 2.146 -7.003 -7.500 1.00 30.21 C ATOM 1028 CD1 ILE A 63 -0.440 -7.076 -5.744 1.00 72.33 C ATOM 0 H ILE A 63 -0.517 -3.948 -7.881 1.00 62.33 H new ATOM 0 HA ILE A 63 2.220 -4.222 -7.435 1.00 71.12 H new ATOM 0 HB ILE A 63 0.244 -6.381 -8.304 1.00 74.30 H new ATOM 0 HG12 ILE A 63 1.022 -5.547 -5.474 1.00 23.15 H new ATOM 0 HG13 ILE A 63 -0.441 -5.011 -6.276 1.00 23.15 H new ATOM 0 HG21 ILE A 63 1.774 -7.957 -7.126 1.00 30.21 H new ATOM 0 HG22 ILE A 63 2.584 -7.146 -8.488 1.00 30.21 H new ATOM 0 HG23 ILE A 63 2.905 -6.618 -6.819 1.00 30.21 H new ATOM 0 HD11 ILE A 63 -0.901 -6.885 -4.775 1.00 72.33 H new ATOM 0 HD12 ILE A 63 -1.210 -7.349 -6.465 1.00 72.33 H new ATOM 0 HD13 ILE A 63 0.275 -7.893 -5.650 1.00 72.33 H new ATOM 1040 N LYS A 64 1.233 -4.906 -10.554 1.00 42.22 N ATOM 1041 CA LYS A 64 1.649 -5.056 -11.968 1.00 3.22 C ATOM 1042 C LYS A 64 2.572 -3.903 -12.380 1.00 70.24 C ATOM 1043 O LYS A 64 3.620 -4.115 -13.002 1.00 35.55 O ATOM 1044 CB LYS A 64 0.398 -5.091 -12.892 1.00 14.22 C ATOM 1045 CG LYS A 64 -0.538 -6.303 -12.657 1.00 43.11 C ATOM 1046 CD LYS A 64 -1.853 -6.214 -13.468 1.00 30.23 C ATOM 1047 CE LYS A 64 -1.621 -6.215 -14.988 1.00 12.34 C ATOM 1048 NZ LYS A 64 -1.012 -7.490 -15.457 1.00 73.01 N ATOM 0 H LYS A 64 0.221 -4.894 -10.431 1.00 42.22 H new ATOM 0 HA LYS A 64 2.194 -5.994 -12.072 1.00 3.22 H new ATOM 0 HB2 LYS A 64 -0.172 -4.174 -12.746 1.00 14.22 H new ATOM 0 HB3 LYS A 64 0.729 -5.099 -13.931 1.00 14.22 H new ATOM 0 HG2 LYS A 64 -0.012 -7.219 -12.926 1.00 43.11 H new ATOM 0 HG3 LYS A 64 -0.776 -6.372 -11.595 1.00 43.11 H new ATOM 0 HD2 LYS A 64 -2.495 -7.054 -13.203 1.00 30.23 H new ATOM 0 HD3 LYS A 64 -2.386 -5.305 -13.188 1.00 30.23 H new ATOM 0 HE2 LYS A 64 -2.570 -6.056 -15.500 1.00 12.34 H new ATOM 0 HE3 LYS A 64 -0.971 -5.382 -15.256 1.00 12.34 H new ATOM 0 HZ1 LYS A 64 -0.950 -7.484 -16.495 1.00 73.01 H new ATOM 0 HZ2 LYS A 64 -0.058 -7.588 -15.054 1.00 73.01 H new ATOM 0 HZ3 LYS A 64 -1.602 -8.290 -15.150 1.00 73.01 H new ATOM 1062 N GLN A 65 2.170 -2.688 -11.973 1.00 25.22 N ATOM 1063 CA GLN A 65 2.912 -1.458 -12.249 1.00 45.45 C ATOM 1064 C GLN A 65 4.245 -1.423 -11.473 1.00 44.24 C ATOM 1065 O GLN A 65 5.241 -0.900 -11.975 1.00 53.24 O ATOM 1066 CB GLN A 65 2.055 -0.228 -11.877 1.00 51.51 C ATOM 1067 CG GLN A 65 0.770 -0.035 -12.694 1.00 4.52 C ATOM 1068 CD GLN A 65 1.013 0.137 -14.186 1.00 21.14 C ATOM 1069 OE1 GLN A 65 0.989 -0.817 -14.954 1.00 72.12 O ATOM 1070 NE2 GLN A 65 1.283 1.352 -14.599 1.00 72.41 N ATOM 0 H GLN A 65 1.314 -2.536 -11.440 1.00 25.22 H new ATOM 0 HA GLN A 65 3.138 -1.433 -13.315 1.00 45.45 H new ATOM 0 HB2 GLN A 65 1.785 -0.302 -10.824 1.00 51.51 H new ATOM 0 HB3 GLN A 65 2.670 0.665 -11.986 1.00 51.51 H new ATOM 0 HG2 GLN A 65 0.118 -0.895 -12.538 1.00 4.52 H new ATOM 0 HG3 GLN A 65 0.239 0.840 -12.318 1.00 4.52 H new ATOM 0 HE21 GLN A 65 1.295 2.126 -13.934 1.00 72.41 H new ATOM 0 HE22 GLN A 65 1.481 1.523 -15.585 1.00 72.41 H new ATOM 1079 N VAL A 66 4.246 -1.976 -10.248 1.00 73.53 N ATOM 1080 CA VAL A 66 5.442 -2.047 -9.390 1.00 25.13 C ATOM 1081 C VAL A 66 6.455 -3.074 -9.949 1.00 52.51 C ATOM 1082 O VAL A 66 7.673 -2.900 -9.799 1.00 31.33 O ATOM 1083 CB VAL A 66 5.053 -2.360 -7.896 1.00 10.12 C ATOM 1084 CG1 VAL A 66 6.292 -2.664 -7.023 1.00 64.33 C ATOM 1085 CG2 VAL A 66 4.235 -1.186 -7.291 1.00 23.31 C ATOM 0 H VAL A 66 3.415 -2.388 -9.823 1.00 73.53 H new ATOM 0 HA VAL A 66 5.926 -1.070 -9.396 1.00 25.13 H new ATOM 0 HB VAL A 66 4.435 -3.258 -7.903 1.00 10.12 H new ATOM 0 HG11 VAL A 66 5.975 -2.874 -6.002 1.00 64.33 H new ATOM 0 HG12 VAL A 66 6.817 -3.531 -7.425 1.00 64.33 H new ATOM 0 HG13 VAL A 66 6.959 -1.802 -7.026 1.00 64.33 H new ATOM 0 HG21 VAL A 66 3.974 -1.418 -6.258 1.00 23.31 H new ATOM 0 HG22 VAL A 66 4.832 -0.274 -7.318 1.00 23.31 H new ATOM 0 HG23 VAL A 66 3.324 -1.040 -7.871 1.00 23.31 H new ATOM 1095 N LEU A 67 5.941 -4.120 -10.622 1.00 40.04 N ATOM 1096 CA LEU A 67 6.775 -5.122 -11.313 1.00 54.52 C ATOM 1097 C LEU A 67 7.506 -4.465 -12.504 1.00 43.41 C ATOM 1098 O LEU A 67 8.684 -4.739 -12.747 1.00 62.24 O ATOM 1099 CB LEU A 67 5.907 -6.325 -11.793 1.00 44.02 C ATOM 1100 CG LEU A 67 5.150 -7.123 -10.678 1.00 54.23 C ATOM 1101 CD1 LEU A 67 4.211 -8.187 -11.283 1.00 22.50 C ATOM 1102 CD2 LEU A 67 6.124 -7.748 -9.653 1.00 4.52 C ATOM 0 H LEU A 67 4.939 -4.294 -10.702 1.00 40.04 H new ATOM 0 HA LEU A 67 7.518 -5.504 -10.613 1.00 54.52 H new ATOM 0 HB2 LEU A 67 5.172 -5.953 -12.507 1.00 44.02 H new ATOM 0 HB3 LEU A 67 6.552 -7.019 -12.332 1.00 44.02 H new ATOM 0 HG LEU A 67 4.531 -6.407 -10.137 1.00 54.23 H new ATOM 0 HD11 LEU A 67 3.702 -8.722 -10.481 1.00 22.50 H new ATOM 0 HD12 LEU A 67 3.473 -7.700 -11.920 1.00 22.50 H new ATOM 0 HD13 LEU A 67 4.794 -8.892 -11.876 1.00 22.50 H new ATOM 0 HD21 LEU A 67 5.557 -8.292 -8.898 1.00 4.52 H new ATOM 0 HD22 LEU A 67 6.799 -8.434 -10.164 1.00 4.52 H new ATOM 0 HD23 LEU A 67 6.703 -6.959 -9.174 1.00 4.52 H new ATOM 1114 N ASP A 68 6.787 -3.581 -13.225 1.00 43.22 N ATOM 1115 CA ASP A 68 7.341 -2.813 -14.366 1.00 2.41 C ATOM 1116 C ASP A 68 8.355 -1.749 -13.889 1.00 45.03 C ATOM 1117 O ASP A 68 9.418 -1.574 -14.498 1.00 21.52 O ATOM 1118 CB ASP A 68 6.190 -2.134 -15.168 1.00 14.24 C ATOM 1119 CG ASP A 68 6.693 -1.275 -16.350 1.00 1.54 C ATOM 1120 OD1 ASP A 68 6.986 -1.841 -17.426 1.00 53.35 O ATOM 1121 OD2 ASP A 68 6.815 -0.032 -16.208 1.00 34.12 O ATOM 0 H ASP A 68 5.806 -3.377 -13.035 1.00 43.22 H new ATOM 0 HA ASP A 68 7.867 -3.512 -15.016 1.00 2.41 H new ATOM 0 HB2 ASP A 68 5.518 -2.904 -15.547 1.00 14.24 H new ATOM 0 HB3 ASP A 68 5.608 -1.506 -14.494 1.00 14.24 H new ATOM 1126 N SER A 69 8.022 -1.063 -12.784 1.00 31.20 N ATOM 1127 CA SER A 69 8.805 0.079 -12.276 1.00 25.41 C ATOM 1128 C SER A 69 10.043 -0.398 -11.497 1.00 1.21 C ATOM 1129 O SER A 69 11.042 0.331 -11.408 1.00 75.32 O ATOM 1130 CB SER A 69 7.906 0.967 -11.382 1.00 12.03 C ATOM 1131 OG SER A 69 7.395 0.251 -10.276 1.00 2.34 O ATOM 0 H SER A 69 7.203 -1.283 -12.217 1.00 31.20 H new ATOM 0 HA SER A 69 9.157 0.665 -13.125 1.00 25.41 H new ATOM 0 HB2 SER A 69 8.479 1.824 -11.027 1.00 12.03 H new ATOM 0 HB3 SER A 69 7.079 1.360 -11.974 1.00 12.03 H new ATOM 0 HG SER A 69 6.834 0.844 -9.734 1.00 2.34 H new ATOM 1137 N GLY A 70 9.963 -1.626 -10.956 1.00 44.12 N ATOM 1138 CA GLY A 70 10.998 -2.164 -10.081 1.00 61.13 C ATOM 1139 C GLY A 70 11.025 -1.436 -8.748 1.00 72.11 C ATOM 1140 O GLY A 70 12.093 -1.059 -8.260 1.00 4.12 O ATOM 0 H GLY A 70 9.182 -2.263 -11.116 1.00 44.12 H new ATOM 0 HA2 GLY A 70 10.821 -3.226 -9.914 1.00 61.13 H new ATOM 0 HA3 GLY A 70 11.970 -2.075 -10.566 1.00 61.13 H new ATOM 1144 N ALA A 71 9.826 -1.199 -8.187 1.00 54.52 N ATOM 1145 CA ALA A 71 9.639 -0.481 -6.907 1.00 31.43 C ATOM 1146 C ALA A 71 9.400 -1.481 -5.752 1.00 62.32 C ATOM 1147 O ALA A 71 9.547 -2.696 -5.933 1.00 31.55 O ATOM 1148 CB ALA A 71 8.458 0.503 -7.051 1.00 44.23 C ATOM 0 H ALA A 71 8.949 -1.502 -8.611 1.00 54.52 H new ATOM 0 HA ALA A 71 10.541 0.082 -6.666 1.00 31.43 H new ATOM 0 HB1 ALA A 71 8.313 1.037 -6.112 1.00 44.23 H new ATOM 0 HB2 ALA A 71 8.675 1.218 -7.845 1.00 44.23 H new ATOM 0 HB3 ALA A 71 7.552 -0.050 -7.298 1.00 44.23 H new ATOM 1154 N LYS A 72 9.082 -0.958 -4.553 1.00 32.43 N ATOM 1155 CA LYS A 72 8.606 -1.769 -3.406 1.00 33.51 C ATOM 1156 C LYS A 72 7.103 -1.546 -3.243 1.00 30.43 C ATOM 1157 O LYS A 72 6.612 -0.439 -3.493 1.00 22.11 O ATOM 1158 CB LYS A 72 9.321 -1.398 -2.069 1.00 44.25 C ATOM 1159 CG LYS A 72 10.787 -1.862 -1.942 1.00 51.24 C ATOM 1160 CD LYS A 72 11.763 -1.100 -2.853 1.00 22.35 C ATOM 1161 CE LYS A 72 11.806 0.400 -2.539 1.00 21.31 C ATOM 1162 NZ LYS A 72 12.797 1.111 -3.365 1.00 12.42 N ATOM 0 H LYS A 72 9.146 0.039 -4.348 1.00 32.43 H new ATOM 0 HA LYS A 72 8.836 -2.813 -3.619 1.00 33.51 H new ATOM 0 HB2 LYS A 72 9.291 -0.315 -1.951 1.00 44.25 H new ATOM 0 HB3 LYS A 72 8.751 -1.825 -1.243 1.00 44.25 H new ATOM 0 HG2 LYS A 72 11.106 -1.746 -0.906 1.00 51.24 H new ATOM 0 HG3 LYS A 72 10.843 -2.925 -2.175 1.00 51.24 H new ATOM 0 HD2 LYS A 72 12.763 -1.520 -2.742 1.00 22.35 H new ATOM 0 HD3 LYS A 72 11.471 -1.242 -3.893 1.00 22.35 H new ATOM 0 HE2 LYS A 72 10.819 0.833 -2.704 1.00 21.31 H new ATOM 0 HE3 LYS A 72 12.044 0.543 -1.485 1.00 21.31 H new ATOM 0 HZ1 LYS A 72 12.903 2.086 -3.018 1.00 12.42 H new ATOM 0 HZ2 LYS A 72 13.713 0.622 -3.307 1.00 12.42 H new ATOM 0 HZ3 LYS A 72 12.476 1.128 -4.354 1.00 12.42 H new ATOM 1176 N VAL A 73 6.379 -2.595 -2.834 1.00 54.45 N ATOM 1177 CA VAL A 73 4.939 -2.508 -2.551 1.00 3.55 C ATOM 1178 C VAL A 73 4.542 -3.440 -1.387 1.00 65.20 C ATOM 1179 O VAL A 73 5.015 -4.581 -1.297 1.00 1.25 O ATOM 1180 CB VAL A 73 4.071 -2.810 -3.826 1.00 4.30 C ATOM 1181 CG1 VAL A 73 4.395 -4.194 -4.427 1.00 74.41 C ATOM 1182 CG2 VAL A 73 2.552 -2.637 -3.552 1.00 63.22 C ATOM 0 H VAL A 73 6.772 -3.525 -2.690 1.00 54.45 H new ATOM 0 HA VAL A 73 4.735 -1.480 -2.251 1.00 3.55 H new ATOM 0 HB VAL A 73 4.341 -2.066 -4.576 1.00 4.30 H new ATOM 0 HG11 VAL A 73 3.773 -4.363 -5.306 1.00 74.41 H new ATOM 0 HG12 VAL A 73 5.446 -4.229 -4.713 1.00 74.41 H new ATOM 0 HG13 VAL A 73 4.195 -4.968 -3.686 1.00 74.41 H new ATOM 0 HG21 VAL A 73 1.991 -2.856 -4.461 1.00 63.22 H new ATOM 0 HG22 VAL A 73 2.244 -3.322 -2.762 1.00 63.22 H new ATOM 0 HG23 VAL A 73 2.353 -1.611 -3.241 1.00 63.22 H new ATOM 1192 N LEU A 74 3.691 -2.922 -0.493 1.00 73.51 N ATOM 1193 CA LEU A 74 3.047 -3.690 0.578 1.00 75.11 C ATOM 1194 C LEU A 74 1.544 -3.697 0.319 1.00 40.01 C ATOM 1195 O LEU A 74 0.962 -2.653 0.022 1.00 62.55 O ATOM 1196 CB LEU A 74 3.350 -3.075 1.964 1.00 1.33 C ATOM 1197 CG LEU A 74 2.636 -3.734 3.194 1.00 33.23 C ATOM 1198 CD1 LEU A 74 2.886 -5.251 3.255 1.00 3.44 C ATOM 1199 CD2 LEU A 74 3.048 -3.045 4.511 1.00 22.22 C ATOM 0 H LEU A 74 3.426 -1.937 -0.495 1.00 73.51 H new ATOM 0 HA LEU A 74 3.436 -4.708 0.582 1.00 75.11 H new ATOM 0 HB2 LEU A 74 4.426 -3.121 2.130 1.00 1.33 H new ATOM 0 HB3 LEU A 74 3.077 -2.020 1.936 1.00 1.33 H new ATOM 0 HG LEU A 74 1.564 -3.590 3.062 1.00 33.23 H new ATOM 0 HD11 LEU A 74 2.374 -5.670 4.122 1.00 3.44 H new ATOM 0 HD12 LEU A 74 2.505 -5.719 2.347 1.00 3.44 H new ATOM 0 HD13 LEU A 74 3.956 -5.440 3.339 1.00 3.44 H new ATOM 0 HD21 LEU A 74 2.537 -3.523 5.347 1.00 22.22 H new ATOM 0 HD22 LEU A 74 4.126 -3.133 4.646 1.00 22.22 H new ATOM 0 HD23 LEU A 74 2.772 -1.991 4.472 1.00 22.22 H new ATOM 1211 N ILE A 75 0.925 -4.875 0.420 1.00 2.13 N ATOM 1212 CA ILE A 75 -0.516 -5.045 0.249 1.00 22.20 C ATOM 1213 C ILE A 75 -1.137 -5.416 1.593 1.00 65.32 C ATOM 1214 O ILE A 75 -0.800 -6.447 2.190 1.00 35.40 O ATOM 1215 CB ILE A 75 -0.848 -6.133 -0.829 1.00 45.13 C ATOM 1216 CG1 ILE A 75 -0.263 -5.719 -2.220 1.00 1.11 C ATOM 1217 CG2 ILE A 75 -2.374 -6.407 -0.911 1.00 74.33 C ATOM 1218 CD1 ILE A 75 -0.688 -4.345 -2.724 1.00 71.22 C ATOM 0 H ILE A 75 1.416 -5.745 0.625 1.00 2.13 H new ATOM 0 HA ILE A 75 -0.937 -4.104 -0.106 1.00 22.20 H new ATOM 0 HB ILE A 75 -0.374 -7.067 -0.526 1.00 45.13 H new ATOM 0 HG12 ILE A 75 0.825 -5.745 -2.160 1.00 1.11 H new ATOM 0 HG13 ILE A 75 -0.560 -6.465 -2.957 1.00 1.11 H new ATOM 0 HG21 ILE A 75 -2.567 -7.166 -1.669 1.00 74.33 H new ATOM 0 HG22 ILE A 75 -2.733 -6.760 0.056 1.00 74.33 H new ATOM 0 HG23 ILE A 75 -2.895 -5.488 -1.178 1.00 74.33 H new ATOM 0 HD11 ILE A 75 -0.229 -4.155 -3.694 1.00 71.22 H new ATOM 0 HD12 ILE A 75 -1.773 -4.314 -2.824 1.00 71.22 H new ATOM 0 HD13 ILE A 75 -0.367 -3.582 -2.015 1.00 71.22 H new ATOM 1230 N LEU A 76 -2.021 -4.539 2.064 1.00 60.32 N ATOM 1231 CA LEU A 76 -2.785 -4.717 3.289 1.00 33.54 C ATOM 1232 C LEU A 76 -4.273 -4.791 2.926 1.00 33.32 C ATOM 1233 O LEU A 76 -4.797 -3.918 2.224 1.00 61.31 O ATOM 1234 CB LEU A 76 -2.493 -3.530 4.249 1.00 22.13 C ATOM 1235 CG LEU A 76 -1.007 -3.356 4.688 1.00 13.44 C ATOM 1236 CD1 LEU A 76 -0.810 -2.085 5.540 1.00 64.40 C ATOM 1237 CD2 LEU A 76 -0.506 -4.611 5.425 1.00 55.20 C ATOM 0 H LEU A 76 -2.229 -3.661 1.588 1.00 60.32 H new ATOM 0 HA LEU A 76 -2.502 -5.639 3.797 1.00 33.54 H new ATOM 0 HB2 LEU A 76 -2.819 -2.609 3.766 1.00 22.13 H new ATOM 0 HB3 LEU A 76 -3.103 -3.653 5.144 1.00 22.13 H new ATOM 0 HG LEU A 76 -0.406 -3.232 3.787 1.00 13.44 H new ATOM 0 HD11 LEU A 76 0.238 -1.998 5.827 1.00 64.40 H new ATOM 0 HD12 LEU A 76 -1.101 -1.209 4.960 1.00 64.40 H new ATOM 0 HD13 LEU A 76 -1.427 -2.148 6.436 1.00 64.40 H new ATOM 0 HD21 LEU A 76 0.533 -4.468 5.722 1.00 55.20 H new ATOM 0 HD22 LEU A 76 -1.117 -4.781 6.312 1.00 55.20 H new ATOM 0 HD23 LEU A 76 -0.579 -5.474 4.764 1.00 55.20 H new ATOM 1249 N SER A 77 -4.935 -5.856 3.377 1.00 62.15 N ATOM 1250 CA SER A 77 -6.380 -6.061 3.193 1.00 71.10 C ATOM 1251 C SER A 77 -6.914 -6.772 4.439 1.00 5.13 C ATOM 1252 O SER A 77 -6.212 -7.609 5.026 1.00 41.40 O ATOM 1253 CB SER A 77 -6.679 -6.913 1.925 1.00 62.42 C ATOM 1254 OG SER A 77 -5.985 -6.428 0.788 1.00 22.54 O ATOM 0 H SER A 77 -4.481 -6.613 3.888 1.00 62.15 H new ATOM 0 HA SER A 77 -6.868 -5.096 3.055 1.00 71.10 H new ATOM 0 HB2 SER A 77 -6.396 -7.949 2.109 1.00 62.42 H new ATOM 0 HB3 SER A 77 -7.751 -6.906 1.727 1.00 62.42 H new ATOM 0 HG SER A 77 -6.391 -5.587 0.491 1.00 22.54 H new ATOM 1260 N SER A 78 -8.143 -6.431 4.844 1.00 72.33 N ATOM 1261 CA SER A 78 -8.801 -7.056 5.999 1.00 51.43 C ATOM 1262 C SER A 78 -9.123 -8.524 5.698 1.00 24.44 C ATOM 1263 O SER A 78 -8.869 -9.403 6.522 1.00 23.43 O ATOM 1264 CB SER A 78 -10.071 -6.265 6.372 1.00 44.42 C ATOM 1265 OG SER A 78 -10.935 -6.140 5.267 1.00 20.43 O ATOM 0 H SER A 78 -8.708 -5.717 4.383 1.00 72.33 H new ATOM 0 HA SER A 78 -8.125 -7.034 6.854 1.00 51.43 H new ATOM 0 HB2 SER A 78 -10.590 -6.768 7.188 1.00 44.42 H new ATOM 0 HB3 SER A 78 -9.793 -5.275 6.734 1.00 44.42 H new ATOM 0 HG SER A 78 -11.733 -5.636 5.531 1.00 20.43 H new ATOM 1271 N ASP A 79 -9.623 -8.774 4.477 1.00 44.31 N ATOM 1272 CA ASP A 79 -10.085 -10.102 4.041 1.00 44.33 C ATOM 1273 C ASP A 79 -8.896 -11.036 3.746 1.00 12.52 C ATOM 1274 O ASP A 79 -8.069 -10.756 2.859 1.00 21.32 O ATOM 1275 CB ASP A 79 -10.991 -9.964 2.790 1.00 54.24 C ATOM 1276 CG ASP A 79 -12.323 -9.249 3.081 1.00 32.31 C ATOM 1277 OD1 ASP A 79 -13.398 -9.885 3.001 1.00 33.31 O ATOM 1278 OD2 ASP A 79 -12.299 -8.044 3.409 1.00 52.31 O ATOM 0 H ASP A 79 -9.719 -8.055 3.760 1.00 44.31 H new ATOM 0 HA ASP A 79 -10.664 -10.546 4.851 1.00 44.33 H new ATOM 0 HB2 ASP A 79 -10.452 -9.414 2.018 1.00 54.24 H new ATOM 0 HB3 ASP A 79 -11.199 -10.956 2.389 1.00 54.24 H new ATOM 1283 N GLU A 80 -8.840 -12.146 4.500 1.00 22.03 N ATOM 1284 CA GLU A 80 -7.815 -13.201 4.351 1.00 2.20 C ATOM 1285 C GLU A 80 -7.889 -13.904 2.974 1.00 51.30 C ATOM 1286 O GLU A 80 -6.865 -14.400 2.490 1.00 24.12 O ATOM 1287 CB GLU A 80 -7.904 -14.248 5.525 1.00 21.33 C ATOM 1288 CG GLU A 80 -9.310 -14.494 6.153 1.00 24.15 C ATOM 1289 CD GLU A 80 -10.403 -14.896 5.156 1.00 31.33 C ATOM 1290 OE1 GLU A 80 -10.496 -16.093 4.811 1.00 3.34 O ATOM 1291 OE2 GLU A 80 -11.158 -14.005 4.691 1.00 41.02 O ATOM 0 H GLU A 80 -9.513 -12.342 5.241 1.00 22.03 H new ATOM 0 HA GLU A 80 -6.844 -12.708 4.404 1.00 2.20 H new ATOM 0 HB2 GLU A 80 -7.527 -15.202 5.157 1.00 21.33 H new ATOM 0 HB3 GLU A 80 -7.231 -13.924 6.319 1.00 21.33 H new ATOM 0 HG2 GLU A 80 -9.223 -15.275 6.908 1.00 24.15 H new ATOM 0 HG3 GLU A 80 -9.625 -13.587 6.668 1.00 24.15 H new ATOM 1298 N ASN A 81 -9.097 -13.942 2.357 1.00 34.41 N ATOM 1299 CA ASN A 81 -9.300 -14.502 0.998 1.00 53.44 C ATOM 1300 C ASN A 81 -8.503 -13.691 -0.031 1.00 73.31 C ATOM 1301 O ASN A 81 -7.862 -14.256 -0.921 1.00 32.24 O ATOM 1302 CB ASN A 81 -10.816 -14.513 0.609 1.00 32.13 C ATOM 1303 CG ASN A 81 -11.590 -15.707 1.186 1.00 45.45 C ATOM 1304 OD1 ASN A 81 -11.672 -16.761 0.562 1.00 52.04 O ATOM 1305 ND2 ASN A 81 -12.148 -15.569 2.376 1.00 3.15 N ATOM 0 H ASN A 81 -9.952 -13.588 2.785 1.00 34.41 H new ATOM 0 HA ASN A 81 -8.943 -15.532 1.002 1.00 53.44 H new ATOM 0 HB2 ASN A 81 -11.278 -13.589 0.956 1.00 32.13 H new ATOM 0 HB3 ASN A 81 -10.904 -14.525 -0.477 1.00 32.13 H new ATOM 0 HD21 ASN A 81 -12.659 -16.347 2.793 1.00 3.15 H new ATOM 0 HD22 ASN A 81 -12.068 -14.684 2.877 1.00 3.15 H new ATOM 1312 N ILE A 82 -8.540 -12.360 0.138 1.00 54.14 N ATOM 1313 CA ILE A 82 -7.893 -11.409 -0.769 1.00 61.11 C ATOM 1314 C ILE A 82 -6.368 -11.455 -0.596 1.00 14.33 C ATOM 1315 O ILE A 82 -5.648 -11.491 -1.590 1.00 22.33 O ATOM 1316 CB ILE A 82 -8.464 -9.955 -0.560 1.00 51.21 C ATOM 1317 CG1 ILE A 82 -10.002 -9.961 -0.856 1.00 74.44 C ATOM 1318 CG2 ILE A 82 -7.723 -8.903 -1.430 1.00 5.44 C ATOM 1319 CD1 ILE A 82 -10.712 -8.642 -0.640 1.00 21.03 C ATOM 0 H ILE A 82 -9.025 -11.913 0.916 1.00 54.14 H new ATOM 0 HA ILE A 82 -8.118 -11.698 -1.796 1.00 61.11 H new ATOM 0 HB ILE A 82 -8.296 -9.662 0.476 1.00 51.21 H new ATOM 0 HG12 ILE A 82 -10.154 -10.271 -1.890 1.00 74.44 H new ATOM 0 HG13 ILE A 82 -10.473 -10.715 -0.225 1.00 74.44 H new ATOM 0 HG21 ILE A 82 -8.151 -7.917 -1.252 1.00 5.44 H new ATOM 0 HG22 ILE A 82 -6.666 -8.892 -1.166 1.00 5.44 H new ATOM 0 HG23 ILE A 82 -7.831 -9.161 -2.484 1.00 5.44 H new ATOM 0 HD11 ILE A 82 -11.771 -8.756 -0.873 1.00 21.03 H new ATOM 0 HD12 ILE A 82 -10.601 -8.335 0.400 1.00 21.03 H new ATOM 0 HD13 ILE A 82 -10.277 -7.884 -1.291 1.00 21.03 H new ATOM 1331 N ILE A 83 -5.884 -11.500 0.667 1.00 2.50 N ATOM 1332 CA ILE A 83 -4.435 -11.629 0.959 1.00 64.22 C ATOM 1333 C ILE A 83 -3.865 -12.942 0.368 1.00 3.43 C ATOM 1334 O ILE A 83 -2.775 -12.942 -0.207 1.00 60.35 O ATOM 1335 CB ILE A 83 -4.144 -11.529 2.515 1.00 3.21 C ATOM 1336 CG1 ILE A 83 -4.568 -10.127 3.062 1.00 55.40 C ATOM 1337 CG2 ILE A 83 -2.651 -11.809 2.846 1.00 23.52 C ATOM 1338 CD1 ILE A 83 -3.762 -8.960 2.502 1.00 13.40 C ATOM 0 H ILE A 83 -6.473 -11.449 1.498 1.00 2.50 H new ATOM 0 HA ILE A 83 -3.926 -10.794 0.477 1.00 64.22 H new ATOM 0 HB ILE A 83 -4.739 -12.298 3.007 1.00 3.21 H new ATOM 0 HG12 ILE A 83 -5.622 -9.966 2.835 1.00 55.40 H new ATOM 0 HG13 ILE A 83 -4.472 -10.130 4.148 1.00 55.40 H new ATOM 0 HG21 ILE A 83 -2.496 -11.730 3.922 1.00 23.52 H new ATOM 0 HG22 ILE A 83 -2.387 -12.813 2.514 1.00 23.52 H new ATOM 0 HG23 ILE A 83 -2.022 -11.080 2.334 1.00 23.52 H new ATOM 0 HD11 ILE A 83 -4.123 -8.027 2.935 1.00 13.40 H new ATOM 0 HD12 ILE A 83 -2.709 -9.092 2.751 1.00 13.40 H new ATOM 0 HD13 ILE A 83 -3.877 -8.925 1.419 1.00 13.40 H new ATOM 1350 N GLU A 84 -4.638 -14.041 0.497 1.00 63.51 N ATOM 1351 CA GLU A 84 -4.283 -15.362 -0.067 1.00 54.25 C ATOM 1352 C GLU A 84 -4.176 -15.281 -1.598 1.00 2.35 C ATOM 1353 O GLU A 84 -3.207 -15.780 -2.186 1.00 75.05 O ATOM 1354 CB GLU A 84 -5.324 -16.428 0.391 1.00 62.30 C ATOM 1355 CG GLU A 84 -4.878 -17.913 0.294 1.00 25.22 C ATOM 1356 CD GLU A 84 -4.834 -18.500 -1.130 1.00 31.03 C ATOM 1357 OE1 GLU A 84 -5.894 -18.551 -1.791 1.00 13.43 O ATOM 1358 OE2 GLU A 84 -3.751 -18.932 -1.592 1.00 52.20 O ATOM 0 H GLU A 84 -5.528 -14.038 0.996 1.00 63.51 H new ATOM 0 HA GLU A 84 -3.306 -15.667 0.307 1.00 54.25 H new ATOM 0 HB2 GLU A 84 -5.595 -16.219 1.426 1.00 62.30 H new ATOM 0 HB3 GLU A 84 -6.227 -16.303 -0.206 1.00 62.30 H new ATOM 0 HG2 GLU A 84 -3.887 -18.006 0.738 1.00 25.22 H new ATOM 0 HG3 GLU A 84 -5.555 -18.518 0.897 1.00 25.22 H new ATOM 1365 N SER A 85 -5.172 -14.622 -2.219 1.00 45.00 N ATOM 1366 CA SER A 85 -5.204 -14.400 -3.669 1.00 74.54 C ATOM 1367 C SER A 85 -3.975 -13.622 -4.149 1.00 52.31 C ATOM 1368 O SER A 85 -3.338 -14.019 -5.111 1.00 22.31 O ATOM 1369 CB SER A 85 -6.501 -13.671 -4.078 1.00 10.41 C ATOM 1370 OG SER A 85 -7.644 -14.430 -3.728 1.00 20.10 O ATOM 0 H SER A 85 -5.975 -14.230 -1.726 1.00 45.00 H new ATOM 0 HA SER A 85 -5.185 -15.377 -4.152 1.00 74.54 H new ATOM 0 HB2 SER A 85 -6.544 -12.697 -3.590 1.00 10.41 H new ATOM 0 HB3 SER A 85 -6.496 -13.489 -5.153 1.00 10.41 H new ATOM 0 HG SER A 85 -7.768 -14.406 -2.756 1.00 20.10 H new ATOM 1376 N ILE A 86 -3.635 -12.540 -3.444 1.00 14.21 N ATOM 1377 CA ILE A 86 -2.518 -11.669 -3.820 1.00 30.42 C ATOM 1378 C ILE A 86 -1.172 -12.402 -3.654 1.00 50.43 C ATOM 1379 O ILE A 86 -0.260 -12.188 -4.442 1.00 43.12 O ATOM 1380 CB ILE A 86 -2.563 -10.320 -3.006 1.00 13.03 C ATOM 1381 CG1 ILE A 86 -3.890 -9.542 -3.308 1.00 15.42 C ATOM 1382 CG2 ILE A 86 -1.332 -9.435 -3.295 1.00 74.33 C ATOM 1383 CD1 ILE A 86 -4.191 -9.318 -4.788 1.00 10.31 C ATOM 0 H ILE A 86 -4.124 -12.244 -2.599 1.00 14.21 H new ATOM 0 HA ILE A 86 -2.617 -11.413 -4.875 1.00 30.42 H new ATOM 0 HB ILE A 86 -2.539 -10.573 -1.946 1.00 13.03 H new ATOM 0 HG12 ILE A 86 -4.722 -10.089 -2.863 1.00 15.42 H new ATOM 0 HG13 ILE A 86 -3.844 -8.572 -2.812 1.00 15.42 H new ATOM 0 HG21 ILE A 86 -1.401 -8.515 -2.715 1.00 74.33 H new ATOM 0 HG22 ILE A 86 -0.425 -9.972 -3.018 1.00 74.33 H new ATOM 0 HG23 ILE A 86 -1.300 -9.192 -4.357 1.00 74.33 H new ATOM 0 HD11 ILE A 86 -5.129 -8.772 -4.890 1.00 10.31 H new ATOM 0 HD12 ILE A 86 -3.384 -8.741 -5.240 1.00 10.31 H new ATOM 0 HD13 ILE A 86 -4.275 -10.281 -5.292 1.00 10.31 H new ATOM 1395 N ARG A 87 -1.090 -13.307 -2.665 1.00 2.54 N ATOM 1396 CA ARG A 87 0.113 -14.128 -2.430 1.00 2.55 C ATOM 1397 C ARG A 87 0.325 -15.178 -3.543 1.00 15.34 C ATOM 1398 O ARG A 87 1.462 -15.405 -3.967 1.00 75.21 O ATOM 1399 CB ARG A 87 0.044 -14.805 -1.034 1.00 53.44 C ATOM 1400 CG ARG A 87 0.315 -13.847 0.147 1.00 21.22 C ATOM 1401 CD ARG A 87 0.210 -14.532 1.525 1.00 72.04 C ATOM 1402 NE ARG A 87 -1.190 -14.794 1.920 1.00 40.23 N ATOM 1403 CZ ARG A 87 -1.651 -15.933 2.463 1.00 31.10 C ATOM 1404 NH1 ARG A 87 -0.848 -16.984 2.650 1.00 53.25 N ATOM 1405 NH2 ARG A 87 -2.912 -16.001 2.874 1.00 45.24 N ATOM 0 H ARG A 87 -1.849 -13.491 -2.009 1.00 2.54 H new ATOM 0 HA ARG A 87 0.975 -13.461 -2.453 1.00 2.55 H new ATOM 0 HB2 ARG A 87 -0.943 -15.251 -0.907 1.00 53.44 H new ATOM 0 HB3 ARG A 87 0.768 -15.619 -1.001 1.00 53.44 H new ATOM 0 HG2 ARG A 87 1.311 -13.419 0.037 1.00 21.22 H new ATOM 0 HG3 ARG A 87 -0.394 -13.020 0.105 1.00 21.22 H new ATOM 0 HD2 ARG A 87 0.760 -15.473 1.503 1.00 72.04 H new ATOM 0 HD3 ARG A 87 0.685 -13.903 2.278 1.00 72.04 H new ATOM 0 HE ARG A 87 -1.865 -14.045 1.767 1.00 40.23 H new ATOM 0 HH11 ARG A 87 0.134 -16.930 2.379 1.00 53.25 H new ATOM 0 HH12 ARG A 87 -1.217 -17.840 3.064 1.00 53.25 H new ATOM 0 HH21 ARG A 87 -3.525 -15.191 2.777 1.00 45.24 H new ATOM 0 HH22 ARG A 87 -3.268 -16.863 3.287 1.00 45.24 H new ATOM 1419 N LYS A 88 -0.763 -15.823 -4.010 1.00 13.55 N ATOM 1420 CA LYS A 88 -0.661 -16.926 -4.996 1.00 21.04 C ATOM 1421 C LYS A 88 -0.521 -16.390 -6.436 1.00 64.52 C ATOM 1422 O LYS A 88 0.156 -17.002 -7.265 1.00 51.22 O ATOM 1423 CB LYS A 88 -1.857 -17.909 -4.867 1.00 65.01 C ATOM 1424 CG LYS A 88 -3.242 -17.336 -5.243 1.00 33.44 C ATOM 1425 CD LYS A 88 -4.385 -18.325 -4.917 1.00 33.41 C ATOM 1426 CE LYS A 88 -5.782 -17.773 -5.245 1.00 42.53 C ATOM 1427 NZ LYS A 88 -6.857 -18.607 -4.652 1.00 3.25 N ATOM 0 H LYS A 88 -1.717 -15.604 -3.725 1.00 13.55 H new ATOM 0 HA LYS A 88 0.248 -17.483 -4.771 1.00 21.04 H new ATOM 0 HB2 LYS A 88 -1.660 -18.776 -5.498 1.00 65.01 H new ATOM 0 HB3 LYS A 88 -1.900 -18.266 -3.838 1.00 65.01 H new ATOM 0 HG2 LYS A 88 -3.406 -16.402 -4.706 1.00 33.44 H new ATOM 0 HG3 LYS A 88 -3.260 -17.099 -6.307 1.00 33.44 H new ATOM 0 HD2 LYS A 88 -4.227 -19.248 -5.475 1.00 33.41 H new ATOM 0 HD3 LYS A 88 -4.343 -18.581 -3.858 1.00 33.41 H new ATOM 0 HE2 LYS A 88 -5.866 -16.752 -4.872 1.00 42.53 H new ATOM 0 HE3 LYS A 88 -5.911 -17.729 -6.326 1.00 42.53 H new ATOM 0 HZ1 LYS A 88 -7.779 -18.158 -4.823 1.00 3.25 H new ATOM 0 HZ2 LYS A 88 -6.845 -19.551 -5.089 1.00 3.25 H new ATOM 0 HZ3 LYS A 88 -6.701 -18.698 -3.628 1.00 3.25 H new ATOM 1441 N GLN A 89 -1.166 -15.249 -6.731 1.00 15.31 N ATOM 1442 CA GLN A 89 -1.038 -14.577 -8.042 1.00 34.41 C ATOM 1443 C GLN A 89 0.314 -13.850 -8.137 1.00 63.15 C ATOM 1444 O GLN A 89 0.938 -13.804 -9.203 1.00 65.20 O ATOM 1445 CB GLN A 89 -2.209 -13.576 -8.261 1.00 64.11 C ATOM 1446 CG GLN A 89 -3.611 -14.205 -8.175 1.00 51.42 C ATOM 1447 CD GLN A 89 -4.746 -13.192 -8.325 1.00 53.40 C ATOM 1448 OE1 GLN A 89 -5.251 -12.965 -9.420 1.00 12.30 O ATOM 1449 NE2 GLN A 89 -5.127 -12.546 -7.233 1.00 11.22 N ATOM 0 H GLN A 89 -1.785 -14.768 -6.078 1.00 15.31 H new ATOM 0 HA GLN A 89 -1.084 -15.334 -8.825 1.00 34.41 H new ATOM 0 HB2 GLN A 89 -2.135 -12.782 -7.518 1.00 64.11 H new ATOM 0 HB3 GLN A 89 -2.093 -13.110 -9.239 1.00 64.11 H new ATOM 0 HG2 GLN A 89 -3.708 -14.964 -8.951 1.00 51.42 H new ATOM 0 HG3 GLN A 89 -3.714 -14.714 -7.217 1.00 51.42 H new ATOM 0 HE21 GLN A 89 -4.688 -12.757 -6.337 1.00 11.22 H new ATOM 0 HE22 GLN A 89 -5.859 -11.838 -7.289 1.00 11.22 H new ATOM 1458 N TYR A 90 0.748 -13.277 -6.997 1.00 3.10 N ATOM 1459 CA TYR A 90 1.992 -12.492 -6.890 1.00 3.22 C ATOM 1460 C TYR A 90 2.782 -12.959 -5.640 1.00 54.51 C ATOM 1461 O TYR A 90 2.473 -12.536 -4.527 1.00 32.03 O ATOM 1462 CB TYR A 90 1.654 -10.974 -6.784 1.00 50.54 C ATOM 1463 CG TYR A 90 0.727 -10.432 -7.881 1.00 42.11 C ATOM 1464 CD1 TYR A 90 1.222 -10.101 -9.147 1.00 14.13 C ATOM 1465 CD2 TYR A 90 -0.644 -10.256 -7.650 1.00 11.11 C ATOM 1466 CE1 TYR A 90 0.388 -9.619 -10.131 1.00 41.30 C ATOM 1467 CE2 TYR A 90 -1.482 -9.775 -8.638 1.00 70.22 C ATOM 1468 CZ TYR A 90 -0.959 -9.459 -9.875 1.00 70.34 C ATOM 1469 OH TYR A 90 -1.787 -8.984 -10.866 1.00 33.31 O ATOM 0 H TYR A 90 0.239 -13.347 -6.116 1.00 3.10 H new ATOM 0 HA TYR A 90 2.603 -12.648 -7.779 1.00 3.22 H new ATOM 0 HB2 TYR A 90 1.191 -10.788 -5.815 1.00 50.54 H new ATOM 0 HB3 TYR A 90 2.586 -10.408 -6.806 1.00 50.54 H new ATOM 0 HD1 TYR A 90 2.274 -10.225 -9.356 1.00 14.13 H new ATOM 0 HD2 TYR A 90 -1.054 -10.501 -6.681 1.00 11.11 H new ATOM 0 HE1 TYR A 90 0.787 -9.366 -11.102 1.00 41.30 H new ATOM 0 HE2 TYR A 90 -2.537 -9.648 -8.444 1.00 70.22 H new ATOM 0 HH TYR A 90 -2.556 -8.531 -10.461 1.00 33.31 H new ATOM 1479 N PRO A 91 3.768 -13.894 -5.780 1.00 73.32 N ATOM 1480 CA PRO A 91 4.603 -14.336 -4.632 1.00 63.01 C ATOM 1481 C PRO A 91 5.661 -13.288 -4.213 1.00 2.31 C ATOM 1482 O PRO A 91 6.067 -13.240 -3.050 1.00 63.32 O ATOM 1483 CB PRO A 91 5.260 -15.634 -5.169 1.00 23.02 C ATOM 1484 CG PRO A 91 5.342 -15.432 -6.657 1.00 24.25 C ATOM 1485 CD PRO A 91 4.110 -14.626 -7.032 1.00 71.52 C ATOM 0 HA PRO A 91 4.018 -14.484 -3.724 1.00 63.01 H new ATOM 0 HB2 PRO A 91 6.248 -15.787 -4.735 1.00 23.02 H new ATOM 0 HB3 PRO A 91 4.664 -16.512 -4.921 1.00 23.02 H new ATOM 0 HG2 PRO A 91 6.254 -14.902 -6.930 1.00 24.25 H new ATOM 0 HG3 PRO A 91 5.359 -16.387 -7.181 1.00 24.25 H new ATOM 0 HD2 PRO A 91 4.316 -13.939 -7.853 1.00 71.52 H new ATOM 0 HD3 PRO A 91 3.293 -15.271 -7.354 1.00 71.52 H new ATOM 1493 N LYS A 92 6.083 -12.445 -5.173 1.00 72.22 N ATOM 1494 CA LYS A 92 7.213 -11.506 -4.995 1.00 65.01 C ATOM 1495 C LYS A 92 6.778 -10.154 -4.372 1.00 71.04 C ATOM 1496 O LYS A 92 7.611 -9.256 -4.203 1.00 34.34 O ATOM 1497 CB LYS A 92 7.898 -11.278 -6.374 1.00 34.30 C ATOM 1498 CG LYS A 92 8.253 -12.574 -7.154 1.00 73.22 C ATOM 1499 CD LYS A 92 9.304 -13.461 -6.449 1.00 22.24 C ATOM 1500 CE LYS A 92 10.679 -12.781 -6.321 1.00 22.51 C ATOM 1501 NZ LYS A 92 11.257 -12.408 -7.637 1.00 30.43 N ATOM 0 H LYS A 92 5.652 -12.393 -6.096 1.00 72.22 H new ATOM 0 HA LYS A 92 7.916 -11.953 -4.292 1.00 65.01 H new ATOM 0 HB2 LYS A 92 7.240 -10.668 -6.993 1.00 34.30 H new ATOM 0 HB3 LYS A 92 8.811 -10.704 -6.218 1.00 34.30 H new ATOM 0 HG2 LYS A 92 7.344 -13.156 -7.306 1.00 73.22 H new ATOM 0 HG3 LYS A 92 8.625 -12.302 -8.142 1.00 73.22 H new ATOM 0 HD2 LYS A 92 8.941 -13.724 -5.455 1.00 22.24 H new ATOM 0 HD3 LYS A 92 9.416 -14.392 -7.004 1.00 22.24 H new ATOM 0 HE2 LYS A 92 10.582 -11.887 -5.705 1.00 22.51 H new ATOM 0 HE3 LYS A 92 11.365 -13.452 -5.804 1.00 22.51 H new ATOM 0 HZ1 LYS A 92 12.235 -12.080 -7.506 1.00 30.43 H new ATOM 0 HZ2 LYS A 92 11.251 -13.236 -8.266 1.00 30.43 H new ATOM 0 HZ3 LYS A 92 10.690 -11.646 -8.062 1.00 30.43 H new ATOM 1515 N VAL A 93 5.481 -10.010 -4.039 1.00 34.45 N ATOM 1516 CA VAL A 93 4.949 -8.803 -3.357 1.00 33.33 C ATOM 1517 C VAL A 93 4.960 -9.015 -1.824 1.00 74.05 C ATOM 1518 O VAL A 93 4.816 -10.152 -1.351 1.00 61.43 O ATOM 1519 CB VAL A 93 3.481 -8.467 -3.847 1.00 10.41 C ATOM 1520 CG1 VAL A 93 2.497 -9.611 -3.560 1.00 30.21 C ATOM 1521 CG2 VAL A 93 2.952 -7.158 -3.237 1.00 24.52 C ATOM 0 H VAL A 93 4.773 -10.719 -4.231 1.00 34.45 H new ATOM 0 HA VAL A 93 5.591 -7.960 -3.611 1.00 33.33 H new ATOM 0 HB VAL A 93 3.551 -8.339 -4.927 1.00 10.41 H new ATOM 0 HG11 VAL A 93 1.504 -9.334 -3.914 1.00 30.21 H new ATOM 0 HG12 VAL A 93 2.827 -10.513 -4.075 1.00 30.21 H new ATOM 0 HG13 VAL A 93 2.461 -9.799 -2.487 1.00 30.21 H new ATOM 0 HG21 VAL A 93 1.942 -6.969 -3.602 1.00 24.52 H new ATOM 0 HG22 VAL A 93 2.935 -7.244 -2.150 1.00 24.52 H new ATOM 0 HG23 VAL A 93 3.603 -6.333 -3.526 1.00 24.52 H new ATOM 1531 N GLU A 94 5.155 -7.927 -1.049 1.00 61.24 N ATOM 1532 CA GLU A 94 4.970 -7.964 0.409 1.00 52.13 C ATOM 1533 C GLU A 94 3.475 -7.893 0.722 1.00 55.23 C ATOM 1534 O GLU A 94 2.756 -7.080 0.143 1.00 5.55 O ATOM 1535 CB GLU A 94 5.737 -6.819 1.111 1.00 71.12 C ATOM 1536 CG GLU A 94 7.269 -6.944 1.026 1.00 64.22 C ATOM 1537 CD GLU A 94 7.786 -8.291 1.569 1.00 73.31 C ATOM 1538 OE1 GLU A 94 8.188 -9.159 0.775 1.00 33.44 O ATOM 1539 OE2 GLU A 94 7.751 -8.505 2.800 1.00 20.23 O ATOM 0 H GLU A 94 5.440 -7.017 -1.412 1.00 61.24 H new ATOM 0 HA GLU A 94 5.380 -8.898 0.792 1.00 52.13 H new ATOM 0 HB2 GLU A 94 5.436 -5.870 0.669 1.00 71.12 H new ATOM 0 HB3 GLU A 94 5.443 -6.789 2.160 1.00 71.12 H new ATOM 0 HG2 GLU A 94 7.582 -6.831 -0.012 1.00 64.22 H new ATOM 0 HG3 GLU A 94 7.728 -6.130 1.588 1.00 64.22 H new ATOM 1546 N THR A 95 3.018 -8.748 1.634 1.00 75.51 N ATOM 1547 CA THR A 95 1.598 -8.885 1.990 1.00 35.21 C ATOM 1548 C THR A 95 1.465 -9.113 3.496 1.00 21.15 C ATOM 1549 O THR A 95 2.349 -9.716 4.123 1.00 2.12 O ATOM 1550 CB THR A 95 0.931 -10.078 1.221 1.00 21.42 C ATOM 1551 OG1 THR A 95 1.796 -11.234 1.267 1.00 13.44 O ATOM 1552 CG2 THR A 95 0.624 -9.737 -0.244 1.00 31.12 C ATOM 0 H THR A 95 3.628 -9.376 2.157 1.00 75.51 H new ATOM 0 HA THR A 95 1.087 -7.965 1.706 1.00 35.21 H new ATOM 0 HB THR A 95 -0.016 -10.288 1.718 1.00 21.42 H new ATOM 0 HG1 THR A 95 2.164 -11.403 0.375 1.00 13.44 H new ATOM 0 HG21 THR A 95 0.163 -10.598 -0.729 1.00 31.12 H new ATOM 0 HG22 THR A 95 -0.059 -8.889 -0.285 1.00 31.12 H new ATOM 0 HG23 THR A 95 1.550 -9.482 -0.760 1.00 31.12 H new ATOM 1560 N ARG A 96 0.360 -8.617 4.055 1.00 71.14 N ATOM 1561 CA ARG A 96 -0.033 -8.858 5.445 1.00 34.42 C ATOM 1562 C ARG A 96 -1.544 -8.606 5.582 1.00 33.34 C ATOM 1563 O ARG A 96 -2.080 -7.666 4.977 1.00 51.53 O ATOM 1564 CB ARG A 96 0.744 -7.943 6.437 1.00 60.11 C ATOM 1565 CG ARG A 96 0.303 -8.122 7.913 1.00 54.41 C ATOM 1566 CD ARG A 96 0.639 -6.940 8.830 1.00 54.34 C ATOM 1567 NE ARG A 96 -0.194 -6.973 10.048 1.00 61.04 N ATOM 1568 CZ ARG A 96 0.064 -6.330 11.187 1.00 25.42 C ATOM 1569 NH1 ARG A 96 1.150 -5.570 11.324 1.00 45.12 N ATOM 1570 NH2 ARG A 96 -0.788 -6.438 12.197 1.00 2.42 N ATOM 0 H ARG A 96 -0.298 -8.027 3.546 1.00 71.14 H new ATOM 0 HA ARG A 96 0.210 -9.891 5.696 1.00 34.42 H new ATOM 0 HB2 ARG A 96 1.810 -8.154 6.356 1.00 60.11 H new ATOM 0 HB3 ARG A 96 0.602 -6.902 6.147 1.00 60.11 H new ATOM 0 HG2 ARG A 96 -0.774 -8.289 7.938 1.00 54.41 H new ATOM 0 HG3 ARG A 96 0.775 -9.020 8.313 1.00 54.41 H new ATOM 0 HD2 ARG A 96 1.694 -6.973 9.103 1.00 54.34 H new ATOM 0 HD3 ARG A 96 0.477 -6.003 8.298 1.00 54.34 H new ATOM 0 HE ARG A 96 -1.043 -7.538 10.015 1.00 61.04 H new ATOM 0 HH11 ARG A 96 1.804 -5.471 10.548 1.00 45.12 H new ATOM 0 HH12 ARG A 96 1.327 -5.087 12.205 1.00 45.12 H new ATOM 0 HH21 ARG A 96 -1.628 -7.008 12.097 1.00 2.42 H new ATOM 0 HH22 ARG A 96 -0.603 -5.952 13.074 1.00 2.42 H new ATOM 1584 N ARG A 97 -2.211 -9.446 6.383 1.00 50.31 N ATOM 1585 CA ARG A 97 -3.603 -9.235 6.788 1.00 75.52 C ATOM 1586 C ARG A 97 -3.658 -8.048 7.777 1.00 43.44 C ATOM 1587 O ARG A 97 -2.950 -8.043 8.795 1.00 61.22 O ATOM 1588 CB ARG A 97 -4.173 -10.509 7.468 1.00 2.41 C ATOM 1589 CG ARG A 97 -5.687 -10.431 7.840 1.00 21.13 C ATOM 1590 CD ARG A 97 -6.011 -11.073 9.198 1.00 14.43 C ATOM 1591 NE ARG A 97 -5.506 -10.263 10.328 1.00 13.24 N ATOM 1592 CZ ARG A 97 -5.779 -10.498 11.626 1.00 60.33 C ATOM 1593 NH1 ARG A 97 -6.540 -11.527 12.001 1.00 25.21 N ATOM 1594 NH2 ARG A 97 -5.328 -9.664 12.547 1.00 15.14 N ATOM 0 H ARG A 97 -1.797 -10.294 6.769 1.00 50.31 H new ATOM 0 HA ARG A 97 -4.206 -9.018 5.906 1.00 75.52 H new ATOM 0 HB2 ARG A 97 -4.020 -11.358 6.802 1.00 2.41 H new ATOM 0 HB3 ARG A 97 -3.600 -10.707 8.374 1.00 2.41 H new ATOM 0 HG2 ARG A 97 -5.997 -9.386 7.856 1.00 21.13 H new ATOM 0 HG3 ARG A 97 -6.271 -10.925 7.063 1.00 21.13 H new ATOM 0 HD2 ARG A 97 -7.090 -11.195 9.293 1.00 14.43 H new ATOM 0 HD3 ARG A 97 -5.572 -12.070 9.242 1.00 14.43 H new ATOM 0 HE ARG A 97 -4.907 -9.468 10.108 1.00 13.24 H new ATOM 0 HH11 ARG A 97 -6.929 -12.156 11.299 1.00 25.21 H new ATOM 0 HH12 ARG A 97 -6.733 -11.685 12.990 1.00 25.21 H new ATOM 0 HH21 ARG A 97 -4.778 -8.850 12.273 1.00 15.14 H new ATOM 0 HH22 ARG A 97 -5.530 -9.834 13.532 1.00 15.14 H new ATOM 1608 N ALA A 98 -4.502 -7.057 7.476 1.00 60.35 N ATOM 1609 CA ALA A 98 -4.693 -5.879 8.326 1.00 23.54 C ATOM 1610 C ALA A 98 -6.189 -5.557 8.368 1.00 34.51 C ATOM 1611 O ALA A 98 -6.742 -5.020 7.410 1.00 34.30 O ATOM 1612 CB ALA A 98 -3.865 -4.692 7.794 1.00 43.24 C ATOM 0 H ALA A 98 -5.075 -7.050 6.632 1.00 60.35 H new ATOM 0 HA ALA A 98 -4.343 -6.078 9.339 1.00 23.54 H new ATOM 0 HB1 ALA A 98 -4.018 -3.825 8.436 1.00 43.24 H new ATOM 0 HB2 ALA A 98 -2.808 -4.959 7.790 1.00 43.24 H new ATOM 0 HB3 ALA A 98 -4.183 -4.452 6.779 1.00 43.24 H new ATOM 1618 N GLN A 99 -6.829 -5.911 9.488 1.00 1.41 N ATOM 1619 CA GLN A 99 -8.286 -5.751 9.691 1.00 1.31 C ATOM 1620 C GLN A 99 -8.575 -4.457 10.450 1.00 75.21 C ATOM 1621 O GLN A 99 -9.522 -3.733 10.136 1.00 64.14 O ATOM 1622 CB GLN A 99 -8.859 -6.970 10.461 1.00 11.20 C ATOM 1623 CG GLN A 99 -8.608 -8.328 9.776 1.00 14.34 C ATOM 1624 CD GLN A 99 -9.119 -9.543 10.564 1.00 4.11 C ATOM 1625 OE1 GLN A 99 -9.515 -10.554 9.979 1.00 11.03 O ATOM 1626 NE2 GLN A 99 -9.069 -9.481 11.887 1.00 4.00 N ATOM 0 H GLN A 99 -6.352 -6.321 10.291 1.00 1.41 H new ATOM 0 HA GLN A 99 -8.771 -5.698 8.716 1.00 1.31 H new ATOM 0 HB2 GLN A 99 -8.421 -6.993 11.459 1.00 11.20 H new ATOM 0 HB3 GLN A 99 -9.933 -6.833 10.587 1.00 11.20 H new ATOM 0 HG2 GLN A 99 -9.085 -8.320 8.796 1.00 14.34 H new ATOM 0 HG3 GLN A 99 -7.537 -8.444 9.609 1.00 14.34 H new ATOM 0 HE21 GLN A 99 -8.737 -8.632 12.346 1.00 4.00 H new ATOM 0 HE22 GLN A 99 -9.362 -10.282 12.447 1.00 4.00 H new ATOM 1635 N ASP A 100 -7.760 -4.189 11.474 1.00 4.52 N ATOM 1636 CA ASP A 100 -7.863 -2.949 12.258 1.00 72.51 C ATOM 1637 C ASP A 100 -6.930 -1.890 11.645 1.00 55.40 C ATOM 1638 O ASP A 100 -5.882 -2.228 11.080 1.00 24.15 O ATOM 1639 CB ASP A 100 -7.495 -3.218 13.746 1.00 52.14 C ATOM 1640 CG ASP A 100 -8.044 -2.152 14.725 1.00 53.41 C ATOM 1641 OD1 ASP A 100 -7.629 -0.978 14.657 1.00 21.41 O ATOM 1642 OD2 ASP A 100 -8.896 -2.483 15.573 1.00 3.22 O ATOM 0 H ASP A 100 -7.017 -4.816 11.783 1.00 4.52 H new ATOM 0 HA ASP A 100 -8.889 -2.581 12.230 1.00 72.51 H new ATOM 0 HB2 ASP A 100 -7.879 -4.196 14.035 1.00 52.14 H new ATOM 0 HB3 ASP A 100 -6.410 -3.261 13.841 1.00 52.14 H new ATOM 1647 N LYS A 101 -7.320 -0.614 11.783 1.00 72.11 N ATOM 1648 CA LYS A 101 -6.538 0.546 11.302 1.00 71.34 C ATOM 1649 C LYS A 101 -5.164 0.662 12.011 1.00 60.10 C ATOM 1650 O LYS A 101 -4.205 1.230 11.450 1.00 52.43 O ATOM 1651 CB LYS A 101 -7.388 1.852 11.439 1.00 22.11 C ATOM 1652 CG LYS A 101 -8.170 2.040 12.768 1.00 0.32 C ATOM 1653 CD LYS A 101 -7.294 2.460 13.966 1.00 34.51 C ATOM 1654 CE LYS A 101 -8.124 2.793 15.207 1.00 55.21 C ATOM 1655 NZ LYS A 101 -7.276 3.311 16.312 1.00 74.22 N ATOM 0 H LYS A 101 -8.195 -0.351 12.236 1.00 72.11 H new ATOM 0 HA LYS A 101 -6.313 0.394 10.247 1.00 71.34 H new ATOM 0 HB2 LYS A 101 -6.722 2.706 11.312 1.00 22.11 H new ATOM 0 HB3 LYS A 101 -8.103 1.880 10.617 1.00 22.11 H new ATOM 0 HG2 LYS A 101 -8.944 2.793 12.617 1.00 0.32 H new ATOM 0 HG3 LYS A 101 -8.677 1.107 13.013 1.00 0.32 H new ATOM 0 HD2 LYS A 101 -6.598 1.656 14.203 1.00 34.51 H new ATOM 0 HD3 LYS A 101 -6.696 3.328 13.689 1.00 34.51 H new ATOM 0 HE2 LYS A 101 -8.881 3.534 14.951 1.00 55.21 H new ATOM 0 HE3 LYS A 101 -8.653 1.900 15.542 1.00 55.21 H new ATOM 0 HZ1 LYS A 101 -7.869 3.833 16.989 1.00 74.22 H new ATOM 0 HZ2 LYS A 101 -6.814 2.516 16.797 1.00 74.22 H new ATOM 0 HZ3 LYS A 101 -6.551 3.948 15.924 1.00 74.22 H new ATOM 1669 N GLU A 102 -5.085 0.111 13.250 1.00 53.42 N ATOM 1670 CA GLU A 102 -3.835 0.061 14.019 1.00 60.04 C ATOM 1671 C GLU A 102 -2.840 -0.871 13.305 1.00 4.20 C ATOM 1672 O GLU A 102 -1.687 -0.499 13.120 1.00 20.13 O ATOM 1673 CB GLU A 102 -4.064 -0.370 15.497 1.00 24.05 C ATOM 1674 CG GLU A 102 -4.543 -1.820 15.715 1.00 70.02 C ATOM 1675 CD GLU A 102 -4.621 -2.230 17.196 1.00 25.51 C ATOM 1676 OE1 GLU A 102 -3.722 -2.950 17.680 1.00 1.04 O ATOM 1677 OE2 GLU A 102 -5.567 -1.818 17.896 1.00 35.34 O ATOM 0 H GLU A 102 -5.883 -0.304 13.731 1.00 53.42 H new ATOM 0 HA GLU A 102 -3.418 1.067 14.064 1.00 60.04 H new ATOM 0 HB2 GLU A 102 -3.131 -0.231 16.043 1.00 24.05 H new ATOM 0 HB3 GLU A 102 -4.797 0.304 15.941 1.00 24.05 H new ATOM 0 HG2 GLU A 102 -5.527 -1.940 15.262 1.00 70.02 H new ATOM 0 HG3 GLU A 102 -3.867 -2.499 15.194 1.00 70.02 H new ATOM 1684 N GLU A 103 -3.332 -2.055 12.838 1.00 45.44 N ATOM 1685 CA GLU A 103 -2.518 -3.041 12.100 1.00 24.10 C ATOM 1686 C GLU A 103 -1.896 -2.414 10.849 1.00 72.22 C ATOM 1687 O GLU A 103 -0.765 -2.741 10.482 1.00 31.21 O ATOM 1688 CB GLU A 103 -3.356 -4.264 11.658 1.00 33.40 C ATOM 1689 CG GLU A 103 -3.953 -5.098 12.793 1.00 14.42 C ATOM 1690 CD GLU A 103 -4.526 -6.424 12.269 1.00 5.03 C ATOM 1691 OE1 GLU A 103 -5.760 -6.586 12.211 1.00 54.11 O ATOM 1692 OE2 GLU A 103 -3.724 -7.289 11.843 1.00 43.52 O ATOM 0 H GLU A 103 -4.302 -2.343 12.967 1.00 45.44 H new ATOM 0 HA GLU A 103 -1.736 -3.367 12.786 1.00 24.10 H new ATOM 0 HB2 GLU A 103 -4.169 -3.915 11.021 1.00 33.40 H new ATOM 0 HB3 GLU A 103 -2.727 -4.911 11.047 1.00 33.40 H new ATOM 0 HG2 GLU A 103 -3.186 -5.301 13.541 1.00 14.42 H new ATOM 0 HG3 GLU A 103 -4.740 -4.530 13.290 1.00 14.42 H new ATOM 1699 N VAL A 104 -2.670 -1.514 10.210 1.00 11.35 N ATOM 1700 CA VAL A 104 -2.257 -0.840 8.984 1.00 52.14 C ATOM 1701 C VAL A 104 -1.061 0.075 9.254 1.00 52.40 C ATOM 1702 O VAL A 104 -0.001 -0.125 8.663 1.00 33.35 O ATOM 1703 CB VAL A 104 -3.420 -0.005 8.340 1.00 34.03 C ATOM 1704 CG1 VAL A 104 -2.977 0.586 6.979 1.00 25.44 C ATOM 1705 CG2 VAL A 104 -4.703 -0.858 8.202 1.00 64.35 C ATOM 0 H VAL A 104 -3.597 -1.241 10.537 1.00 11.35 H new ATOM 0 HA VAL A 104 -1.974 -1.619 8.276 1.00 52.14 H new ATOM 0 HB VAL A 104 -3.654 0.828 9.002 1.00 34.03 H new ATOM 0 HG11 VAL A 104 -3.796 1.161 6.548 1.00 25.44 H new ATOM 0 HG12 VAL A 104 -2.116 1.237 7.128 1.00 25.44 H new ATOM 0 HG13 VAL A 104 -2.707 -0.224 6.301 1.00 25.44 H new ATOM 0 HG21 VAL A 104 -5.493 -0.256 7.753 1.00 64.35 H new ATOM 0 HG22 VAL A 104 -4.500 -1.721 7.568 1.00 64.35 H new ATOM 0 HG23 VAL A 104 -5.021 -1.199 9.187 1.00 64.35 H new ATOM 1715 N LYS A 105 -1.236 1.051 10.181 1.00 75.22 N ATOM 1716 CA LYS A 105 -0.199 2.068 10.457 1.00 12.14 C ATOM 1717 C LYS A 105 1.074 1.431 11.046 1.00 45.44 C ATOM 1718 O LYS A 105 2.184 1.928 10.809 1.00 53.51 O ATOM 1719 CB LYS A 105 -0.734 3.202 11.370 1.00 33.12 C ATOM 1720 CG LYS A 105 -1.175 2.770 12.784 1.00 34.35 C ATOM 1721 CD LYS A 105 -1.712 3.965 13.606 1.00 51.23 C ATOM 1722 CE LYS A 105 -2.151 3.568 15.022 1.00 63.12 C ATOM 1723 NZ LYS A 105 -2.742 4.723 15.747 1.00 41.45 N ATOM 0 H LYS A 105 -2.080 1.152 10.744 1.00 75.22 H new ATOM 0 HA LYS A 105 0.069 2.519 9.502 1.00 12.14 H new ATOM 0 HB2 LYS A 105 0.042 3.962 11.467 1.00 33.12 H new ATOM 0 HB3 LYS A 105 -1.582 3.674 10.873 1.00 33.12 H new ATOM 0 HG2 LYS A 105 -1.948 2.005 12.706 1.00 34.35 H new ATOM 0 HG3 LYS A 105 -0.331 2.319 13.306 1.00 34.35 H new ATOM 0 HD2 LYS A 105 -0.939 4.730 13.672 1.00 51.23 H new ATOM 0 HD3 LYS A 105 -2.557 4.410 13.081 1.00 51.23 H new ATOM 0 HE2 LYS A 105 -2.880 2.759 14.966 1.00 63.12 H new ATOM 0 HE3 LYS A 105 -1.294 3.187 15.577 1.00 63.12 H new ATOM 0 HZ1 LYS A 105 -2.873 4.474 16.748 1.00 41.45 H new ATOM 0 HZ2 LYS A 105 -2.105 5.542 15.674 1.00 41.45 H new ATOM 0 HZ3 LYS A 105 -3.663 4.962 15.327 1.00 41.45 H new ATOM 1737 N ASP A 106 0.897 0.336 11.825 1.00 73.34 N ATOM 1738 CA ASP A 106 2.015 -0.500 12.292 1.00 53.30 C ATOM 1739 C ASP A 106 2.782 -1.092 11.110 1.00 21.44 C ATOM 1740 O ASP A 106 3.979 -0.866 10.995 1.00 31.32 O ATOM 1741 CB ASP A 106 1.547 -1.639 13.238 1.00 71.23 C ATOM 1742 CG ASP A 106 0.882 -1.156 14.540 1.00 0.43 C ATOM 1743 OD1 ASP A 106 1.236 -0.068 15.053 1.00 2.42 O ATOM 1744 OD2 ASP A 106 0.017 -1.878 15.077 1.00 35.12 O ATOM 0 H ASP A 106 -0.018 0.015 12.141 1.00 73.34 H new ATOM 0 HA ASP A 106 2.676 0.154 12.861 1.00 53.30 H new ATOM 0 HB2 ASP A 106 0.844 -2.275 12.700 1.00 71.23 H new ATOM 0 HB3 ASP A 106 2.407 -2.259 13.492 1.00 71.23 H new ATOM 1749 N ALA A 107 2.061 -1.800 10.216 1.00 62.44 N ATOM 1750 CA ALA A 107 2.658 -2.510 9.065 1.00 21.12 C ATOM 1751 C ALA A 107 3.364 -1.542 8.102 1.00 72.24 C ATOM 1752 O ALA A 107 4.340 -1.919 7.451 1.00 15.54 O ATOM 1753 CB ALA A 107 1.589 -3.322 8.319 1.00 10.53 C ATOM 0 H ALA A 107 1.047 -1.896 10.272 1.00 62.44 H new ATOM 0 HA ALA A 107 3.411 -3.193 9.457 1.00 21.12 H new ATOM 0 HB1 ALA A 107 2.047 -3.838 7.475 1.00 10.53 H new ATOM 0 HB2 ALA A 107 1.150 -4.054 8.997 1.00 10.53 H new ATOM 0 HB3 ALA A 107 0.811 -2.651 7.955 1.00 10.53 H new ATOM 1759 N VAL A 108 2.845 -0.295 8.028 1.00 25.34 N ATOM 1760 CA VAL A 108 3.454 0.796 7.266 1.00 75.24 C ATOM 1761 C VAL A 108 4.841 1.118 7.835 1.00 4.33 C ATOM 1762 O VAL A 108 5.846 1.046 7.118 1.00 11.23 O ATOM 1763 CB VAL A 108 2.547 2.092 7.269 1.00 32.32 C ATOM 1764 CG1 VAL A 108 3.287 3.321 6.674 1.00 1.44 C ATOM 1765 CG2 VAL A 108 1.220 1.840 6.511 1.00 1.23 C ATOM 0 H VAL A 108 1.984 -0.025 8.503 1.00 25.34 H new ATOM 0 HA VAL A 108 3.552 0.467 6.231 1.00 75.24 H new ATOM 0 HB VAL A 108 2.317 2.319 8.310 1.00 32.32 H new ATOM 0 HG11 VAL A 108 2.627 4.188 6.696 1.00 1.44 H new ATOM 0 HG12 VAL A 108 4.180 3.529 7.264 1.00 1.44 H new ATOM 0 HG13 VAL A 108 3.574 3.109 5.644 1.00 1.44 H new ATOM 0 HG21 VAL A 108 0.614 2.746 6.527 1.00 1.23 H new ATOM 0 HG22 VAL A 108 1.437 1.567 5.478 1.00 1.23 H new ATOM 0 HG23 VAL A 108 0.674 1.029 6.993 1.00 1.23 H new ATOM 1775 N GLU A 109 4.874 1.421 9.141 1.00 51.11 N ATOM 1776 CA GLU A 109 6.096 1.834 9.829 1.00 41.22 C ATOM 1777 C GLU A 109 7.140 0.694 9.833 1.00 63.03 C ATOM 1778 O GLU A 109 8.325 0.949 9.658 1.00 22.43 O ATOM 1779 CB GLU A 109 5.783 2.309 11.264 1.00 14.30 C ATOM 1780 CG GLU A 109 7.002 2.892 12.000 1.00 11.52 C ATOM 1781 CD GLU A 109 6.656 3.458 13.376 1.00 22.51 C ATOM 1782 OE1 GLU A 109 6.417 2.663 14.307 1.00 54.42 O ATOM 1783 OE2 GLU A 109 6.628 4.701 13.537 1.00 61.33 O ATOM 0 H GLU A 109 4.053 1.385 9.745 1.00 51.11 H new ATOM 0 HA GLU A 109 6.525 2.675 9.284 1.00 41.22 H new ATOM 0 HB2 GLU A 109 4.998 3.064 11.225 1.00 14.30 H new ATOM 0 HB3 GLU A 109 5.390 1.470 11.838 1.00 14.30 H new ATOM 0 HG2 GLU A 109 7.757 2.114 12.113 1.00 11.52 H new ATOM 0 HG3 GLU A 109 7.445 3.680 11.390 1.00 11.52 H new ATOM 1790 N GLU A 110 6.663 -0.560 9.979 1.00 60.55 N ATOM 1791 CA GLU A 110 7.511 -1.762 9.934 1.00 43.54 C ATOM 1792 C GLU A 110 8.130 -1.934 8.530 1.00 63.31 C ATOM 1793 O GLU A 110 9.292 -2.331 8.407 1.00 61.10 O ATOM 1794 CB GLU A 110 6.691 -3.025 10.308 1.00 53.44 C ATOM 1795 CG GLU A 110 6.129 -3.048 11.741 1.00 25.43 C ATOM 1796 CD GLU A 110 7.212 -2.990 12.832 1.00 3.53 C ATOM 1797 OE1 GLU A 110 7.939 -3.989 13.005 1.00 12.24 O ATOM 1798 OE2 GLU A 110 7.340 -1.959 13.522 1.00 73.01 O ATOM 0 H GLU A 110 5.675 -0.764 10.132 1.00 60.55 H new ATOM 0 HA GLU A 110 8.313 -1.638 10.661 1.00 43.54 H new ATOM 0 HB2 GLU A 110 5.860 -3.118 9.609 1.00 53.44 H new ATOM 0 HB3 GLU A 110 7.323 -3.902 10.170 1.00 53.44 H new ATOM 0 HG2 GLU A 110 5.451 -2.204 11.869 1.00 25.43 H new ATOM 0 HG3 GLU A 110 5.539 -3.954 11.876 1.00 25.43 H new ATOM 1805 N PHE A 111 7.332 -1.610 7.486 1.00 3.30 N ATOM 1806 CA PHE A 111 7.763 -1.692 6.073 1.00 3.02 C ATOM 1807 C PHE A 111 8.911 -0.706 5.818 1.00 4.31 C ATOM 1808 O PHE A 111 9.844 -1.000 5.065 1.00 55.05 O ATOM 1809 CB PHE A 111 6.564 -1.408 5.126 1.00 55.10 C ATOM 1810 CG PHE A 111 6.820 -1.644 3.630 1.00 54.42 C ATOM 1811 CD1 PHE A 111 6.790 -2.934 3.099 1.00 41.43 C ATOM 1812 CD2 PHE A 111 7.046 -0.583 2.748 1.00 11.44 C ATOM 1813 CE1 PHE A 111 6.980 -3.151 1.747 1.00 15.43 C ATOM 1814 CE2 PHE A 111 7.239 -0.804 1.397 1.00 23.13 C ATOM 1815 CZ PHE A 111 7.202 -2.086 0.900 1.00 64.53 C ATOM 0 H PHE A 111 6.372 -1.285 7.601 1.00 3.30 H new ATOM 0 HA PHE A 111 8.123 -2.700 5.868 1.00 3.02 H new ATOM 0 HB2 PHE A 111 5.726 -2.033 5.435 1.00 55.10 H new ATOM 0 HB3 PHE A 111 6.255 -0.372 5.263 1.00 55.10 H new ATOM 0 HD1 PHE A 111 6.616 -3.775 3.754 1.00 41.43 H new ATOM 0 HD2 PHE A 111 7.070 0.427 3.129 1.00 11.44 H new ATOM 0 HE1 PHE A 111 6.954 -4.156 1.354 1.00 15.43 H new ATOM 0 HE2 PHE A 111 7.419 0.029 0.733 1.00 23.13 H new ATOM 0 HZ PHE A 111 7.347 -2.259 -0.156 1.00 64.53 H new ATOM 1825 N LEU A 112 8.827 0.452 6.493 1.00 72.11 N ATOM 1826 CA LEU A 112 9.840 1.513 6.418 1.00 41.12 C ATOM 1827 C LEU A 112 11.129 1.100 7.163 1.00 2.34 C ATOM 1828 O LEU A 112 12.235 1.345 6.670 1.00 62.00 O ATOM 1829 CB LEU A 112 9.241 2.829 6.989 1.00 60.31 C ATOM 1830 CG LEU A 112 7.926 3.301 6.292 1.00 1.13 C ATOM 1831 CD1 LEU A 112 7.300 4.517 6.990 1.00 43.54 C ATOM 1832 CD2 LEU A 112 8.152 3.566 4.793 1.00 2.41 C ATOM 0 H LEU A 112 8.047 0.678 7.110 1.00 72.11 H new ATOM 0 HA LEU A 112 10.118 1.678 5.377 1.00 41.12 H new ATOM 0 HB2 LEU A 112 9.044 2.692 8.052 1.00 60.31 H new ATOM 0 HB3 LEU A 112 9.986 3.620 6.902 1.00 60.31 H new ATOM 0 HG LEU A 112 7.209 2.485 6.382 1.00 1.13 H new ATOM 0 HD11 LEU A 112 6.388 4.807 6.468 1.00 43.54 H new ATOM 0 HD12 LEU A 112 7.061 4.261 8.022 1.00 43.54 H new ATOM 0 HD13 LEU A 112 8.006 5.348 6.976 1.00 43.54 H new ATOM 0 HD21 LEU A 112 7.218 3.893 4.336 1.00 2.41 H new ATOM 0 HD22 LEU A 112 8.907 4.343 4.671 1.00 2.41 H new ATOM 0 HD23 LEU A 112 8.491 2.650 4.309 1.00 2.41 H new ATOM 1844 N LYS A 113 10.970 0.451 8.341 1.00 75.24 N ATOM 1845 CA LYS A 113 12.101 -0.041 9.171 1.00 12.33 C ATOM 1846 C LYS A 113 12.961 -1.081 8.434 1.00 21.34 C ATOM 1847 O LYS A 113 14.193 -1.053 8.521 1.00 12.33 O ATOM 1848 CB LYS A 113 11.564 -0.655 10.490 1.00 60.10 C ATOM 1849 CG LYS A 113 10.889 0.357 11.443 1.00 44.34 C ATOM 1850 CD LYS A 113 10.318 -0.331 12.702 1.00 0.03 C ATOM 1851 CE LYS A 113 9.631 0.650 13.656 1.00 1.13 C ATOM 1852 NZ LYS A 113 9.109 -0.036 14.863 1.00 53.20 N ATOM 0 H LYS A 113 10.055 0.253 8.745 1.00 75.24 H new ATOM 0 HA LYS A 113 12.736 0.818 9.388 1.00 12.33 H new ATOM 0 HB2 LYS A 113 10.846 -1.438 10.245 1.00 60.10 H new ATOM 0 HB3 LYS A 113 12.390 -1.133 11.016 1.00 60.10 H new ATOM 0 HG2 LYS A 113 11.614 1.115 11.740 1.00 44.34 H new ATOM 0 HG3 LYS A 113 10.087 0.873 10.916 1.00 44.34 H new ATOM 0 HD2 LYS A 113 9.604 -1.097 12.399 1.00 0.03 H new ATOM 0 HD3 LYS A 113 11.125 -0.839 13.230 1.00 0.03 H new ATOM 0 HE2 LYS A 113 10.338 1.424 13.954 1.00 1.13 H new ATOM 0 HE3 LYS A 113 8.812 1.149 13.138 1.00 1.13 H new ATOM 0 HZ1 LYS A 113 8.636 0.656 15.478 1.00 53.20 H new ATOM 0 HZ2 LYS A 113 8.428 -0.769 14.579 1.00 53.20 H new ATOM 0 HZ3 LYS A 113 9.897 -0.477 15.380 1.00 53.20 H new ATOM 1866 N GLU A 114 12.301 -1.995 7.702 1.00 60.24 N ATOM 1867 CA GLU A 114 12.983 -3.096 6.988 1.00 51.22 C ATOM 1868 C GLU A 114 13.519 -2.650 5.608 1.00 31.40 C ATOM 1869 O GLU A 114 13.949 -3.494 4.810 1.00 60.33 O ATOM 1870 CB GLU A 114 12.013 -4.293 6.831 1.00 60.55 C ATOM 1871 CG GLU A 114 11.391 -4.806 8.145 1.00 64.23 C ATOM 1872 CD GLU A 114 12.433 -5.312 9.152 1.00 61.23 C ATOM 1873 OE1 GLU A 114 12.838 -6.489 9.057 1.00 13.02 O ATOM 1874 OE2 GLU A 114 12.856 -4.539 10.039 1.00 32.41 O ATOM 0 H GLU A 114 11.288 -1.995 7.587 1.00 60.24 H new ATOM 0 HA GLU A 114 13.845 -3.399 7.583 1.00 51.22 H new ATOM 0 HB2 GLU A 114 11.209 -4.003 6.155 1.00 60.55 H new ATOM 0 HB3 GLU A 114 12.548 -5.115 6.355 1.00 60.55 H new ATOM 0 HG2 GLU A 114 10.813 -4.003 8.603 1.00 64.23 H new ATOM 0 HG3 GLU A 114 10.693 -5.612 7.918 1.00 64.23 H new