USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 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 22 THR OG1 : rot -150:sc= 0.929 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -174:sc= 0.341 (180deg=-0.7) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -136:sc= -1.07 (180deg=-4.84!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.0217 (180deg=-0.287) USER MOD Single : A 15 THR OG1 : rot -23:sc= -1.33 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -0.0581 (180deg=-0.269) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= -0.0679 (180deg=-0.466) USER MOD Single : A 39 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.9) USER MOD Single : A 48 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.3!) USER MOD Single : A 49 GLN : amide:sc= -8.43! C(o=-8.4!,f=-10!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.24 K(o=-0.24,f=-2.7!) USER MOD Single : A 63 THR OG1 : rot -87:sc= 0.233 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.463 K(o=-0.46,f=-4.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= -2.53! (180deg=-2.61!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -3.45 X(o=-3.5,f=-3.8) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.507 16.973 -7.708 1.00 34.41 N ATOM 92 CA SER A 8 1.210 16.758 -8.967 1.00 33.35 C ATOM 93 C SER A 8 1.106 15.300 -9.405 1.00 34.55 C ATOM 94 O SER A 8 1.253 14.983 -10.584 1.00 5.13 O ATOM 95 CB SER A 8 2.680 17.158 -8.829 1.00 3.15 C ATOM 96 OG SER A 8 3.290 17.304 -10.100 1.00 35.13 O ATOM 0 HA SER A 8 0.741 17.382 -9.728 1.00 33.35 H new ATOM 0 HB2 SER A 8 2.755 18.095 -8.276 1.00 3.15 H new ATOM 0 HB3 SER A 8 3.213 16.403 -8.251 1.00 3.15 H new ATOM 0 HG SER A 8 4.229 17.561 -9.985 1.00 35.13 H new ATOM 101 N MET A 9 0.852 14.417 -8.444 1.00 4.24 N ATOM 102 CA MET A 9 0.728 12.993 -8.731 1.00 13.10 C ATOM 103 C MET A 9 -0.729 12.547 -8.650 1.00 72.44 C ATOM 104 O MET A 9 -1.424 12.843 -7.678 1.00 61.11 O ATOM 105 CB MET A 9 1.577 12.178 -7.753 1.00 61.10 C ATOM 106 CG MET A 9 2.722 12.968 -7.139 1.00 33.42 C ATOM 107 SD MET A 9 4.069 11.912 -6.574 1.00 64.30 S ATOM 108 CE MET A 9 5.266 12.162 -7.882 1.00 4.55 C ATOM 0 H MET A 9 0.728 14.662 -7.462 1.00 4.24 H new ATOM 0 HA MET A 9 1.087 12.820 -9.745 1.00 13.10 H new ATOM 0 HB2 MET A 9 0.937 11.802 -6.955 1.00 61.10 H new ATOM 0 HB3 MET A 9 1.983 11.310 -8.273 1.00 61.10 H new ATOM 0 HG2 MET A 9 3.105 13.677 -7.874 1.00 33.42 H new ATOM 0 HG3 MET A 9 2.346 13.552 -6.299 1.00 33.42 H new ATOM 0 HE1 MET A 9 5.697 11.203 -8.169 1.00 4.55 H new ATOM 0 HE2 MET A 9 4.774 12.611 -8.745 1.00 4.55 H new ATOM 0 HE3 MET A 9 6.057 12.825 -7.530 1.00 4.55 H new ATOM 116 N GLN A 10 -1.183 11.835 -9.676 1.00 33.33 N ATOM 117 CA GLN A 10 -2.558 11.350 -9.719 1.00 34.32 C ATOM 118 C GLN A 10 -2.602 9.871 -10.088 1.00 31.32 C ATOM 119 O GLN A 10 -1.800 9.398 -10.893 1.00 43.50 O ATOM 120 CB GLN A 10 -3.376 12.163 -10.724 1.00 21.02 C ATOM 121 CG GLN A 10 -3.640 13.592 -10.279 1.00 20.44 C ATOM 122 CD GLN A 10 -4.836 14.209 -10.976 1.00 12.21 C ATOM 123 OE1 GLN A 10 -5.920 14.311 -10.401 1.00 22.43 O ATOM 124 NE2 GLN A 10 -4.646 14.625 -12.223 1.00 22.54 N ATOM 0 H GLN A 10 -0.620 11.581 -10.488 1.00 33.33 H new ATOM 0 HA GLN A 10 -2.991 11.471 -8.726 1.00 34.32 H new ATOM 0 HB2 GLN A 10 -2.850 12.180 -11.679 1.00 21.02 H new ATOM 0 HB3 GLN A 10 -4.329 11.662 -10.894 1.00 21.02 H new ATOM 0 HG2 GLN A 10 -3.804 13.608 -9.202 1.00 20.44 H new ATOM 0 HG3 GLN A 10 -2.756 14.199 -10.476 1.00 20.44 H new ATOM 0 HE21 GLN A 10 -3.731 14.521 -12.661 1.00 22.54 H new ATOM 0 HE22 GLN A 10 -5.415 15.048 -12.742 1.00 22.54 H new ATOM 131 N ILE A 11 -3.544 9.146 -9.494 1.00 42.23 N ATOM 132 CA ILE A 11 -3.693 7.721 -9.761 1.00 60.10 C ATOM 133 C ILE A 11 -5.152 7.292 -9.660 1.00 51.40 C ATOM 134 O ILE A 11 -6.021 8.086 -9.297 1.00 41.35 O ATOM 135 CB ILE A 11 -2.853 6.875 -8.786 1.00 64.11 C ATOM 136 CG1 ILE A 11 -2.281 5.649 -9.502 1.00 64.33 C ATOM 137 CG2 ILE A 11 -3.694 6.453 -7.591 1.00 55.41 C ATOM 138 CD1 ILE A 11 -1.000 5.132 -8.884 1.00 21.12 C ATOM 0 H ILE A 11 -4.215 9.522 -8.825 1.00 42.23 H new ATOM 0 HA ILE A 11 -3.337 7.552 -10.777 1.00 60.10 H new ATOM 0 HB ILE A 11 -2.022 7.481 -8.425 1.00 64.11 H new ATOM 0 HG12 ILE A 11 -3.026 4.853 -9.494 1.00 64.33 H new ATOM 0 HG13 ILE A 11 -2.095 5.902 -10.546 1.00 64.33 H new ATOM 0 HG21 ILE A 11 -3.086 5.856 -6.911 1.00 55.41 H new ATOM 0 HG22 ILE A 11 -4.057 7.339 -7.070 1.00 55.41 H new ATOM 0 HG23 ILE A 11 -4.543 5.861 -7.934 1.00 55.41 H new ATOM 0 HD11 ILE A 11 -0.652 4.263 -9.442 1.00 21.12 H new ATOM 0 HD12 ILE A 11 -0.240 5.912 -8.916 1.00 21.12 H new ATOM 0 HD13 ILE A 11 -1.185 4.848 -7.848 1.00 21.12 H new ATOM 149 N PHE A 12 -5.416 6.030 -9.984 1.00 71.21 N ATOM 150 CA PHE A 12 -6.772 5.494 -9.930 1.00 23.12 C ATOM 151 C PHE A 12 -6.947 4.580 -8.721 1.00 51.32 C ATOM 152 O PHE A 12 -6.236 3.586 -8.572 1.00 22.13 O ATOM 153 CB PHE A 12 -7.091 4.727 -11.215 1.00 60.31 C ATOM 154 CG PHE A 12 -8.387 5.140 -11.853 1.00 61.40 C ATOM 155 CD1 PHE A 12 -8.516 6.387 -12.446 1.00 54.03 C ATOM 156 CD2 PHE A 12 -9.475 4.283 -11.859 1.00 1.34 C ATOM 157 CE1 PHE A 12 -9.706 6.770 -13.034 1.00 14.13 C ATOM 158 CE2 PHE A 12 -10.667 4.661 -12.447 1.00 33.11 C ATOM 159 CZ PHE A 12 -10.784 5.906 -13.034 1.00 45.12 C ATOM 0 H PHE A 12 -4.709 5.360 -10.287 1.00 71.21 H new ATOM 0 HA PHE A 12 -7.464 6.331 -9.834 1.00 23.12 H new ATOM 0 HB2 PHE A 12 -6.280 4.876 -11.928 1.00 60.31 H new ATOM 0 HB3 PHE A 12 -7.128 3.661 -10.993 1.00 60.31 H new ATOM 0 HD1 PHE A 12 -7.677 7.066 -12.448 1.00 54.03 H new ATOM 0 HD2 PHE A 12 -9.391 3.309 -11.399 1.00 1.34 H new ATOM 0 HE1 PHE A 12 -9.793 7.744 -13.493 1.00 14.13 H new ATOM 0 HE2 PHE A 12 -11.507 3.983 -12.448 1.00 33.11 H new ATOM 0 HZ PHE A 12 -11.716 6.203 -13.492 1.00 45.12 H new ATOM 168 N VAL A 13 -7.899 4.924 -7.859 1.00 44.43 N ATOM 169 CA VAL A 13 -8.169 4.135 -6.663 1.00 4.54 C ATOM 170 C VAL A 13 -9.665 3.910 -6.480 1.00 73.54 C ATOM 171 O VAL A 13 -10.449 4.860 -6.455 1.00 55.40 O ATOM 172 CB VAL A 13 -7.605 4.816 -5.402 1.00 43.44 C ATOM 173 CG1 VAL A 13 -7.854 3.955 -4.173 1.00 35.01 C ATOM 174 CG2 VAL A 13 -6.120 5.102 -5.570 1.00 2.32 C ATOM 0 H VAL A 13 -8.496 5.744 -7.967 1.00 44.43 H new ATOM 0 HA VAL A 13 -7.674 3.174 -6.799 1.00 4.54 H new ATOM 0 HB VAL A 13 -8.121 5.766 -5.262 1.00 43.44 H new ATOM 0 HG11 VAL A 13 -7.449 4.453 -3.292 1.00 35.01 H new ATOM 0 HG12 VAL A 13 -8.926 3.806 -4.044 1.00 35.01 H new ATOM 0 HG13 VAL A 13 -7.366 2.989 -4.301 1.00 35.01 H new ATOM 0 HG21 VAL A 13 -5.738 5.583 -4.670 1.00 2.32 H new ATOM 0 HG22 VAL A 13 -5.586 4.166 -5.736 1.00 2.32 H new ATOM 0 HG23 VAL A 13 -5.971 5.761 -6.425 1.00 2.32 H new ATOM 184 N LYS A 14 -10.057 2.647 -6.351 1.00 20.40 N ATOM 185 CA LYS A 14 -11.460 2.295 -6.168 1.00 40.23 C ATOM 186 C LYS A 14 -11.667 1.554 -4.851 1.00 33.43 C ATOM 187 O LYS A 14 -11.129 0.466 -4.646 1.00 51.45 O ATOM 188 CB LYS A 14 -11.946 1.431 -7.333 1.00 35.10 C ATOM 189 CG LYS A 14 -12.088 2.194 -8.638 1.00 13.54 C ATOM 190 CD LYS A 14 -13.131 3.294 -8.530 1.00 10.03 C ATOM 191 CE LYS A 14 -14.498 2.733 -8.169 1.00 52.24 C ATOM 192 NZ LYS A 14 -14.941 1.687 -9.133 1.00 71.43 N ATOM 0 H LYS A 14 -9.422 1.849 -6.370 1.00 20.40 H new ATOM 0 HA LYS A 14 -12.040 3.217 -6.141 1.00 40.23 H new ATOM 0 HB2 LYS A 14 -11.249 0.606 -7.478 1.00 35.10 H new ATOM 0 HB3 LYS A 14 -12.909 0.992 -7.072 1.00 35.10 H new ATOM 0 HG2 LYS A 14 -11.127 2.628 -8.913 1.00 13.54 H new ATOM 0 HG3 LYS A 14 -12.366 1.505 -9.435 1.00 13.54 H new ATOM 0 HD2 LYS A 14 -12.822 4.017 -7.775 1.00 10.03 H new ATOM 0 HD3 LYS A 14 -13.195 3.830 -9.477 1.00 10.03 H new ATOM 0 HE2 LYS A 14 -14.463 2.310 -7.165 1.00 52.24 H new ATOM 0 HE3 LYS A 14 -15.229 3.542 -8.149 1.00 52.24 H new ATOM 0 HZ1 LYS A 14 -15.947 1.476 -8.978 1.00 71.43 H new ATOM 0 HZ2 LYS A 14 -14.805 2.031 -10.105 1.00 71.43 H new ATOM 0 HZ3 LYS A 14 -14.380 0.823 -8.990 1.00 71.43 H new ATOM 202 N THR A 15 -12.452 2.150 -3.959 1.00 33.12 N ATOM 203 CA THR A 15 -12.731 1.547 -2.662 1.00 34.15 C ATOM 204 C THR A 15 -13.703 0.380 -2.796 1.00 43.24 C ATOM 205 O THR A 15 -14.137 0.044 -3.897 1.00 2.43 O ATOM 206 CB THR A 15 -13.318 2.577 -1.677 1.00 31.15 C ATOM 207 OG1 THR A 15 -14.573 3.063 -2.167 1.00 24.23 O ATOM 208 CG2 THR A 15 -12.359 3.741 -1.478 1.00 34.14 C ATOM 0 H THR A 15 -12.906 3.051 -4.112 1.00 33.12 H new ATOM 0 HA THR A 15 -11.780 1.183 -2.272 1.00 34.15 H new ATOM 0 HB THR A 15 -13.470 2.084 -0.717 1.00 31.15 H new ATOM 0 HG1 THR A 15 -14.614 2.941 -3.138 1.00 24.23 H new ATOM 0 HG21 THR A 15 -12.794 4.455 -0.779 1.00 34.14 H new ATOM 0 HG22 THR A 15 -11.415 3.371 -1.078 1.00 34.14 H new ATOM 0 HG23 THR A 15 -12.180 4.232 -2.434 1.00 34.14 H new ATOM 216 N LEU A 16 -14.039 -0.236 -1.668 1.00 54.04 N ATOM 217 CA LEU A 16 -14.959 -1.367 -1.659 1.00 13.53 C ATOM 218 C LEU A 16 -16.400 -0.898 -1.839 1.00 74.13 C ATOM 219 O LEU A 16 -17.246 -1.634 -2.350 1.00 25.23 O ATOM 220 CB LEU A 16 -14.825 -2.149 -0.351 1.00 54.44 C ATOM 221 CG LEU A 16 -14.775 -1.314 0.928 1.00 33.31 C ATOM 222 CD1 LEU A 16 -15.879 -1.738 1.886 1.00 23.32 C ATOM 223 CD2 LEU A 16 -13.412 -1.439 1.594 1.00 2.21 C ATOM 0 H LEU A 16 -13.688 0.029 -0.748 1.00 54.04 H new ATOM 0 HA LEU A 16 -14.701 -2.020 -2.493 1.00 13.53 H new ATOM 0 HB2 LEU A 16 -15.664 -2.841 -0.277 1.00 54.44 H new ATOM 0 HB3 LEU A 16 -13.919 -2.752 -0.403 1.00 54.44 H new ATOM 0 HG LEU A 16 -14.933 -0.269 0.663 1.00 33.31 H new ATOM 0 HD11 LEU A 16 -15.828 -1.133 2.791 1.00 23.32 H new ATOM 0 HD12 LEU A 16 -16.849 -1.596 1.409 1.00 23.32 H new ATOM 0 HD13 LEU A 16 -15.752 -2.789 2.145 1.00 23.32 H new ATOM 0 HD21 LEU A 16 -13.395 -0.838 2.503 1.00 2.21 H new ATOM 0 HD22 LEU A 16 -13.224 -2.483 1.846 1.00 2.21 H new ATOM 0 HD23 LEU A 16 -12.639 -1.086 0.911 1.00 2.21 H new ATOM 234 N THR A 17 -16.674 0.333 -1.417 1.00 42.33 N ATOM 235 CA THR A 17 -18.011 0.900 -1.532 1.00 22.14 C ATOM 236 C THR A 17 -18.234 1.505 -2.914 1.00 74.51 C ATOM 237 O THR A 17 -19.365 1.588 -3.390 1.00 54.14 O ATOM 238 CB THR A 17 -18.254 1.983 -0.465 1.00 31.43 C ATOM 239 OG1 THR A 17 -19.658 2.233 -0.331 1.00 3.00 O ATOM 240 CG2 THR A 17 -17.537 3.274 -0.830 1.00 31.32 C ATOM 0 H THR A 17 -15.987 0.956 -0.992 1.00 42.33 H new ATOM 0 HA THR A 17 -18.716 0.083 -1.378 1.00 22.14 H new ATOM 0 HB THR A 17 -17.857 1.622 0.484 1.00 31.43 H new ATOM 0 HG1 THR A 17 -19.804 2.922 0.351 1.00 3.00 H new ATOM 0 HG21 THR A 17 -17.724 4.024 -0.061 1.00 31.32 H new ATOM 0 HG22 THR A 17 -16.466 3.087 -0.902 1.00 31.32 H new ATOM 0 HG23 THR A 17 -17.907 3.637 -1.789 1.00 31.32 H new ATOM 248 N GLY A 18 -17.147 1.925 -3.553 1.00 31.25 N ATOM 249 CA GLY A 18 -17.247 2.517 -4.875 1.00 64.42 C ATOM 250 C GLY A 18 -16.679 3.921 -4.926 1.00 44.11 C ATOM 251 O GLY A 18 -16.613 4.534 -5.992 1.00 3.00 O ATOM 0 H GLY A 18 -16.200 1.866 -3.180 1.00 31.25 H new ATOM 0 HA2 GLY A 18 -16.719 1.888 -5.592 1.00 64.42 H new ATOM 0 HA3 GLY A 18 -18.293 2.540 -5.181 1.00 64.42 H new ATOM 255 N LYS A 19 -16.268 4.434 -3.771 1.00 0.21 N ATOM 256 CA LYS A 19 -15.703 5.776 -3.687 1.00 53.24 C ATOM 257 C LYS A 19 -14.346 5.839 -4.380 1.00 30.34 C ATOM 258 O LYS A 19 -13.578 4.877 -4.353 1.00 22.20 O ATOM 259 CB LYS A 19 -15.560 6.200 -2.223 1.00 32.03 C ATOM 260 CG LYS A 19 -16.823 6.813 -1.642 1.00 72.10 C ATOM 261 CD LYS A 19 -16.896 8.306 -1.915 1.00 4.33 C ATOM 262 CE LYS A 19 -18.204 8.901 -1.418 1.00 20.30 C ATOM 263 NZ LYS A 19 -18.474 8.537 0.001 1.00 22.54 N ATOM 0 H LYS A 19 -16.316 3.940 -2.880 1.00 0.21 H new ATOM 0 HA LYS A 19 -16.382 6.462 -4.193 1.00 53.24 H new ATOM 0 HB2 LYS A 19 -15.280 5.331 -1.627 1.00 32.03 H new ATOM 0 HB3 LYS A 19 -14.745 6.919 -2.139 1.00 32.03 H new ATOM 0 HG2 LYS A 19 -17.697 6.321 -2.069 1.00 72.10 H new ATOM 0 HG3 LYS A 19 -16.852 6.637 -0.567 1.00 72.10 H new ATOM 0 HD2 LYS A 19 -16.059 8.807 -1.428 1.00 4.33 H new ATOM 0 HD3 LYS A 19 -16.797 8.486 -2.985 1.00 4.33 H new ATOM 0 HE2 LYS A 19 -18.169 9.986 -1.515 1.00 20.30 H new ATOM 0 HE3 LYS A 19 -19.024 8.551 -2.045 1.00 20.30 H new ATOM 0 HZ1 LYS A 19 -19.245 9.129 0.371 1.00 22.54 H new ATOM 0 HZ2 LYS A 19 -18.749 7.536 0.056 1.00 22.54 H new ATOM 0 HZ3 LYS A 19 -17.616 8.692 0.568 1.00 22.54 H new ATOM 273 N THR A 20 -14.057 6.979 -5.001 1.00 41.40 N ATOM 274 CA THR A 20 -12.792 7.168 -5.701 1.00 13.10 C ATOM 275 C THR A 20 -11.938 8.228 -5.016 1.00 23.40 C ATOM 276 O THR A 20 -12.429 9.299 -4.661 1.00 23.14 O ATOM 277 CB THR A 20 -13.018 7.576 -7.169 1.00 72.45 C ATOM 278 OG1 THR A 20 -14.368 7.292 -7.554 1.00 23.11 O ATOM 279 CG2 THR A 20 -12.057 6.839 -8.090 1.00 21.33 C ATOM 0 H THR A 20 -14.682 7.785 -5.033 1.00 41.40 H new ATOM 0 HA THR A 20 -12.270 6.212 -5.674 1.00 13.10 H new ATOM 0 HB THR A 20 -12.832 8.646 -7.258 1.00 72.45 H new ATOM 0 HG1 THR A 20 -14.504 7.556 -8.488 1.00 23.11 H new ATOM 0 HG21 THR A 20 -12.236 7.144 -9.121 1.00 21.33 H new ATOM 0 HG22 THR A 20 -11.031 7.080 -7.813 1.00 21.33 H new ATOM 0 HG23 THR A 20 -12.215 5.765 -7.996 1.00 21.33 H new ATOM 287 N ILE A 21 -10.657 7.923 -4.834 1.00 1.21 N ATOM 288 CA ILE A 21 -9.735 8.851 -4.193 1.00 23.14 C ATOM 289 C ILE A 21 -8.432 8.962 -4.979 1.00 73.25 C ATOM 290 O ILE A 21 -7.882 7.959 -5.436 1.00 32.25 O ATOM 291 CB ILE A 21 -9.415 8.421 -2.750 1.00 30.30 C ATOM 292 CG1 ILE A 21 -9.244 6.902 -2.672 1.00 13.23 C ATOM 293 CG2 ILE A 21 -10.513 8.884 -1.803 1.00 3.42 C ATOM 294 CD1 ILE A 21 -10.540 6.160 -2.436 1.00 53.31 C ATOM 0 H ILE A 21 -10.235 7.040 -5.122 1.00 1.21 H new ATOM 0 HA ILE A 21 -10.229 9.822 -4.173 1.00 23.14 H new ATOM 0 HB ILE A 21 -8.478 8.889 -2.447 1.00 30.30 H new ATOM 0 HG12 ILE A 21 -8.795 6.547 -3.600 1.00 13.23 H new ATOM 0 HG13 ILE A 21 -8.547 6.664 -1.869 1.00 13.23 H new ATOM 0 HG21 ILE A 21 -10.272 8.572 -0.787 1.00 3.42 H new ATOM 0 HG22 ILE A 21 -10.591 9.971 -1.840 1.00 3.42 H new ATOM 0 HG23 ILE A 21 -11.463 8.441 -2.103 1.00 3.42 H new ATOM 0 HD11 ILE A 21 -10.343 5.089 -2.392 1.00 53.31 H new ATOM 0 HD12 ILE A 21 -10.980 6.487 -1.494 1.00 53.31 H new ATOM 0 HD13 ILE A 21 -11.232 6.368 -3.252 1.00 53.31 H new ATOM 305 N THR A 22 -7.941 10.188 -5.131 1.00 14.14 N ATOM 306 CA THR A 22 -6.703 10.431 -5.860 1.00 55.01 C ATOM 307 C THR A 22 -5.486 10.131 -4.992 1.00 41.33 C ATOM 308 O THR A 22 -5.301 10.735 -3.935 1.00 61.15 O ATOM 309 CB THR A 22 -6.620 11.887 -6.356 1.00 64.02 C ATOM 310 OG1 THR A 22 -7.936 12.423 -6.528 1.00 52.34 O ATOM 311 CG2 THR A 22 -5.857 11.968 -7.670 1.00 12.02 C ATOM 0 H THR A 22 -8.383 11.029 -4.758 1.00 14.14 H new ATOM 0 HA THR A 22 -6.706 9.762 -6.720 1.00 55.01 H new ATOM 0 HB THR A 22 -6.086 12.472 -5.607 1.00 64.02 H new ATOM 0 HG1 THR A 22 -7.925 13.094 -7.243 1.00 52.34 H new ATOM 0 HG21 THR A 22 -5.811 13.006 -8.001 1.00 12.02 H new ATOM 0 HG22 THR A 22 -4.846 11.588 -7.527 1.00 12.02 H new ATOM 0 HG23 THR A 22 -6.367 11.369 -8.424 1.00 12.02 H new ATOM 319 N LEU A 23 -4.659 9.195 -5.446 1.00 71.40 N ATOM 320 CA LEU A 23 -3.458 8.816 -4.710 1.00 50.31 C ATOM 321 C LEU A 23 -2.201 9.191 -5.488 1.00 22.05 C ATOM 322 O LEU A 23 -2.201 9.198 -6.719 1.00 22.44 O ATOM 323 CB LEU A 23 -3.464 7.312 -4.425 1.00 20.42 C ATOM 324 CG LEU A 23 -3.885 6.899 -3.015 1.00 72.45 C ATOM 325 CD1 LEU A 23 -2.788 7.226 -2.013 1.00 33.11 C ATOM 326 CD2 LEU A 23 -5.187 7.582 -2.624 1.00 52.21 C ATOM 0 H LEU A 23 -4.798 8.686 -6.319 1.00 71.40 H new ATOM 0 HA LEU A 23 -3.455 9.360 -3.765 1.00 50.31 H new ATOM 0 HB2 LEU A 23 -4.133 6.830 -5.138 1.00 20.42 H new ATOM 0 HB3 LEU A 23 -2.463 6.923 -4.613 1.00 20.42 H new ATOM 0 HG LEU A 23 -4.047 5.821 -3.007 1.00 72.45 H new ATOM 0 HD11 LEU A 23 -3.106 6.925 -1.015 1.00 33.11 H new ATOM 0 HD12 LEU A 23 -1.878 6.689 -2.282 1.00 33.11 H new ATOM 0 HD13 LEU A 23 -2.593 8.298 -2.024 1.00 33.11 H new ATOM 0 HD21 LEU A 23 -5.471 7.276 -1.617 1.00 52.21 H new ATOM 0 HD22 LEU A 23 -5.053 8.663 -2.650 1.00 52.21 H new ATOM 0 HD23 LEU A 23 -5.972 7.297 -3.325 1.00 52.21 H new ATOM 337 N GLU A 24 -1.131 9.500 -4.763 1.00 73.52 N ATOM 338 CA GLU A 24 0.133 9.876 -5.386 1.00 52.41 C ATOM 339 C GLU A 24 1.048 8.664 -5.530 1.00 43.14 C ATOM 340 O GLU A 24 0.981 7.723 -4.740 1.00 54.52 O ATOM 341 CB GLU A 24 0.830 10.961 -4.564 1.00 72.12 C ATOM 342 CG GLU A 24 1.316 10.479 -3.207 1.00 33.13 C ATOM 343 CD GLU A 24 2.601 11.155 -2.773 1.00 61.12 C ATOM 344 OE1 GLU A 24 3.671 10.794 -3.309 1.00 1.04 O ATOM 345 OE2 GLU A 24 2.539 12.045 -1.899 1.00 44.24 O ATOM 0 H GLU A 24 -1.114 9.497 -3.743 1.00 73.52 H new ATOM 0 HA GLU A 24 -0.083 10.268 -6.380 1.00 52.41 H new ATOM 0 HB2 GLU A 24 1.679 11.344 -5.130 1.00 72.12 H new ATOM 0 HB3 GLU A 24 0.142 11.794 -4.419 1.00 72.12 H new ATOM 0 HG2 GLU A 24 0.543 10.665 -2.462 1.00 33.13 H new ATOM 0 HG3 GLU A 24 1.472 9.401 -3.243 1.00 33.13 H new ATOM 350 N VAL A 25 1.905 8.694 -6.547 1.00 63.44 N ATOM 351 CA VAL A 25 2.836 7.600 -6.796 1.00 60.44 C ATOM 352 C VAL A 25 4.203 8.127 -7.216 1.00 44.00 C ATOM 353 O VAL A 25 4.304 9.143 -7.902 1.00 32.31 O ATOM 354 CB VAL A 25 2.306 6.650 -7.886 1.00 21.12 C ATOM 355 CG1 VAL A 25 1.749 7.442 -9.059 1.00 32.21 C ATOM 356 CG2 VAL A 25 3.404 5.703 -8.345 1.00 41.21 C ATOM 0 H VAL A 25 1.973 9.465 -7.212 1.00 63.44 H new ATOM 0 HA VAL A 25 2.935 7.049 -5.861 1.00 60.44 H new ATOM 0 HB VAL A 25 1.497 6.055 -7.464 1.00 21.12 H new ATOM 0 HG11 VAL A 25 1.379 6.754 -9.819 1.00 32.21 H new ATOM 0 HG12 VAL A 25 0.932 8.076 -8.715 1.00 32.21 H new ATOM 0 HG13 VAL A 25 2.536 8.064 -9.485 1.00 32.21 H new ATOM 0 HG21 VAL A 25 3.013 5.038 -9.115 1.00 41.21 H new ATOM 0 HG22 VAL A 25 4.235 6.279 -8.751 1.00 41.21 H new ATOM 0 HG23 VAL A 25 3.752 5.112 -7.498 1.00 41.21 H new ATOM 366 N GLU A 26 5.254 7.427 -6.801 1.00 72.04 N ATOM 367 CA GLU A 26 6.617 7.825 -7.134 1.00 33.14 C ATOM 368 C GLU A 26 7.610 6.726 -6.768 1.00 70.14 C ATOM 369 O GLU A 26 7.535 6.118 -5.699 1.00 1.52 O ATOM 370 CB GLU A 26 6.985 9.122 -6.411 1.00 34.30 C ATOM 371 CG GLU A 26 7.933 10.011 -7.198 1.00 43.35 C ATOM 372 CD GLU A 26 8.133 11.368 -6.553 1.00 12.44 C ATOM 373 OE1 GLU A 26 7.590 11.585 -5.449 1.00 62.34 O ATOM 374 OE2 GLU A 26 8.830 12.213 -7.152 1.00 14.11 O ATOM 0 H GLU A 26 5.188 6.582 -6.234 1.00 72.04 H new ATOM 0 HA GLU A 26 6.666 7.991 -8.210 1.00 33.14 H new ATOM 0 HB2 GLU A 26 6.073 9.679 -6.196 1.00 34.30 H new ATOM 0 HB3 GLU A 26 7.442 8.876 -5.453 1.00 34.30 H new ATOM 0 HG2 GLU A 26 8.898 9.513 -7.293 1.00 43.35 H new ATOM 0 HG3 GLU A 26 7.544 10.147 -8.207 1.00 43.35 H new ATOM 379 N PRO A 27 8.563 6.464 -7.674 1.00 43.21 N ATOM 380 CA PRO A 27 9.590 5.438 -7.469 1.00 2.14 C ATOM 381 C PRO A 27 10.590 5.827 -6.385 1.00 74.13 C ATOM 382 O PRO A 27 11.369 4.996 -5.920 1.00 71.02 O ATOM 383 CB PRO A 27 10.284 5.354 -8.831 1.00 75.33 C ATOM 384 CG PRO A 27 10.059 6.688 -9.454 1.00 72.35 C ATOM 385 CD PRO A 27 8.714 7.150 -8.968 1.00 33.01 C ATOM 0 HA PRO A 27 9.161 4.493 -7.134 1.00 2.14 H new ATOM 0 HB2 PRO A 27 11.348 5.143 -8.721 1.00 75.33 H new ATOM 0 HB3 PRO A 27 9.862 4.556 -9.442 1.00 75.33 H new ATOM 0 HG2 PRO A 27 10.841 7.390 -9.165 1.00 72.35 H new ATOM 0 HG3 PRO A 27 10.078 6.619 -10.542 1.00 72.35 H new ATOM 0 HD2 PRO A 27 8.678 8.234 -8.855 1.00 33.01 H new ATOM 0 HD3 PRO A 27 7.920 6.876 -9.663 1.00 33.01 H new ATOM 390 N SER A 28 10.562 7.095 -5.988 1.00 73.43 N ATOM 391 CA SER A 28 11.468 7.594 -4.959 1.00 14.42 C ATOM 392 C SER A 28 10.714 7.889 -3.667 1.00 71.32 C ATOM 393 O SER A 28 11.318 8.062 -2.608 1.00 52.52 O ATOM 394 CB SER A 28 12.180 8.857 -5.448 1.00 54.12 C ATOM 395 OG SER A 28 13.586 8.725 -5.335 1.00 61.54 O ATOM 0 H SER A 28 9.922 7.796 -6.363 1.00 73.43 H new ATOM 0 HA SER A 28 12.210 6.822 -4.756 1.00 14.42 H new ATOM 0 HB2 SER A 28 11.912 9.050 -6.487 1.00 54.12 H new ATOM 0 HB3 SER A 28 11.844 9.716 -4.867 1.00 54.12 H new ATOM 0 HG SER A 28 14.018 9.544 -5.655 1.00 61.54 H new ATOM 400 N ASP A 29 9.390 7.947 -3.761 1.00 41.41 N ATOM 401 CA ASP A 29 8.552 8.220 -2.600 1.00 0.13 C ATOM 402 C ASP A 29 7.740 6.987 -2.213 1.00 63.02 C ATOM 403 O ASP A 29 7.083 6.373 -3.055 1.00 0.12 O ATOM 404 CB ASP A 29 7.614 9.394 -2.887 1.00 61.32 C ATOM 405 CG ASP A 29 7.375 10.256 -1.662 1.00 10.14 C ATOM 406 OD1 ASP A 29 7.756 9.829 -0.553 1.00 24.20 O ATOM 407 OD2 ASP A 29 6.806 11.358 -1.814 1.00 41.54 O ATOM 0 H ASP A 29 8.874 7.808 -4.630 1.00 41.41 H new ATOM 0 HA ASP A 29 9.203 8.480 -1.766 1.00 0.13 H new ATOM 0 HB2 ASP A 29 8.037 10.007 -3.683 1.00 61.32 H new ATOM 0 HB3 ASP A 29 6.660 9.013 -3.251 1.00 61.32 H new ATOM 411 N THR A 30 7.791 6.628 -0.934 1.00 65.50 N ATOM 412 CA THR A 30 7.063 5.468 -0.436 1.00 4.10 C ATOM 413 C THR A 30 5.650 5.847 -0.011 1.00 12.20 C ATOM 414 O THR A 30 5.296 7.026 0.021 1.00 64.01 O ATOM 415 CB THR A 30 7.790 4.820 0.757 1.00 54.44 C ATOM 416 OG1 THR A 30 7.494 5.538 1.961 1.00 1.05 O ATOM 417 CG2 THR A 30 9.294 4.800 0.530 1.00 4.21 C ATOM 0 H THR A 30 8.329 7.125 -0.224 1.00 65.50 H new ATOM 0 HA THR A 30 7.012 4.750 -1.255 1.00 4.10 H new ATOM 0 HB THR A 30 7.439 3.792 0.851 1.00 54.44 H new ATOM 0 HG1 THR A 30 7.959 5.118 2.715 1.00 1.05 H new ATOM 0 HG21 THR A 30 9.785 4.338 1.386 1.00 4.21 H new ATOM 0 HG22 THR A 30 9.519 4.227 -0.370 1.00 4.21 H new ATOM 0 HG23 THR A 30 9.658 5.821 0.411 1.00 4.21 H new ATOM 425 N ILE A 31 4.846 4.841 0.315 1.00 52.40 N ATOM 426 CA ILE A 31 3.470 5.070 0.741 1.00 42.52 C ATOM 427 C ILE A 31 3.419 5.949 1.986 1.00 54.44 C ATOM 428 O ILE A 31 2.420 6.619 2.243 1.00 33.14 O ATOM 429 CB ILE A 31 2.743 3.744 1.030 1.00 32.11 C ATOM 430 CG1 ILE A 31 2.419 3.017 -0.277 1.00 22.43 C ATOM 431 CG2 ILE A 31 1.472 4.000 1.828 1.00 62.54 C ATOM 432 CD1 ILE A 31 3.616 2.334 -0.900 1.00 2.43 C ATOM 0 H ILE A 31 5.123 3.860 0.293 1.00 52.40 H new ATOM 0 HA ILE A 31 2.965 5.579 -0.080 1.00 42.52 H new ATOM 0 HB ILE A 31 3.401 3.109 1.623 1.00 32.11 H new ATOM 0 HG12 ILE A 31 1.644 2.274 -0.088 1.00 22.43 H new ATOM 0 HG13 ILE A 31 2.007 3.732 -0.989 1.00 22.43 H new ATOM 0 HG21 ILE A 31 0.969 3.053 2.025 1.00 62.54 H new ATOM 0 HG22 ILE A 31 1.726 4.479 2.774 1.00 62.54 H new ATOM 0 HG23 ILE A 31 0.809 4.651 1.258 1.00 62.54 H new ATOM 0 HD11 ILE A 31 3.313 1.839 -1.823 1.00 2.43 H new ATOM 0 HD12 ILE A 31 4.384 3.075 -1.121 1.00 2.43 H new ATOM 0 HD13 ILE A 31 4.015 1.594 -0.206 1.00 2.43 H new ATOM 443 N GLU A 32 4.504 5.940 2.754 1.00 52.03 N ATOM 444 CA GLU A 32 4.582 6.737 3.973 1.00 23.53 C ATOM 445 C GLU A 32 4.186 8.186 3.702 1.00 0.04 C ATOM 446 O GLU A 32 3.312 8.736 4.370 1.00 22.42 O ATOM 447 CB GLU A 32 5.996 6.685 4.554 1.00 43.53 C ATOM 448 CG GLU A 32 6.127 7.371 5.903 1.00 0.32 C ATOM 449 CD GLU A 32 7.218 6.765 6.763 1.00 1.01 C ATOM 450 OE1 GLU A 32 7.141 5.553 7.053 1.00 63.25 O ATOM 451 OE2 GLU A 32 8.150 7.504 7.145 1.00 55.02 O ATOM 0 H GLU A 32 5.340 5.391 2.554 1.00 52.03 H new ATOM 0 HA GLU A 32 3.884 6.316 4.696 1.00 23.53 H new ATOM 0 HB2 GLU A 32 6.300 5.643 4.655 1.00 43.53 H new ATOM 0 HB3 GLU A 32 6.686 7.151 3.851 1.00 43.53 H new ATOM 0 HG2 GLU A 32 6.337 8.429 5.749 1.00 0.32 H new ATOM 0 HG3 GLU A 32 5.176 7.308 6.432 1.00 0.32 H new ATOM 456 N ASN A 33 4.835 8.796 2.716 1.00 63.12 N ATOM 457 CA ASN A 33 4.552 10.181 2.356 1.00 12.21 C ATOM 458 C ASN A 33 3.260 10.281 1.550 1.00 61.44 C ATOM 459 O ASN A 33 2.555 11.288 1.611 1.00 53.51 O ATOM 460 CB ASN A 33 5.714 10.769 1.553 1.00 23.32 C ATOM 461 CG ASN A 33 5.839 12.270 1.731 1.00 60.01 C ATOM 462 OD1 ASN A 33 6.715 12.750 2.451 1.00 54.42 O ATOM 463 ND2 ASN A 33 4.961 13.019 1.074 1.00 50.32 N ATOM 0 H ASN A 33 5.560 8.353 2.152 1.00 63.12 H new ATOM 0 HA ASN A 33 4.430 10.752 3.277 1.00 12.21 H new ATOM 0 HB2 ASN A 33 6.644 10.291 1.861 1.00 23.32 H new ATOM 0 HB3 ASN A 33 5.574 10.542 0.496 1.00 23.32 H new ATOM 0 HD21 ASN A 33 4.996 14.035 1.155 1.00 50.32 H new ATOM 0 HD22 ASN A 33 4.252 12.578 0.488 1.00 50.32 H new ATOM 469 N VAL A 34 2.957 9.228 0.797 1.00 34.41 N ATOM 470 CA VAL A 34 1.749 9.196 -0.019 1.00 12.14 C ATOM 471 C VAL A 34 0.500 9.353 0.840 1.00 33.44 C ATOM 472 O VAL A 34 -0.499 9.927 0.405 1.00 53.25 O ATOM 473 CB VAL A 34 1.647 7.884 -0.818 1.00 42.34 C ATOM 474 CG1 VAL A 34 0.331 7.821 -1.579 1.00 22.53 C ATOM 475 CG2 VAL A 34 2.828 7.744 -1.767 1.00 31.11 C ATOM 0 H VAL A 34 3.531 8.387 0.735 1.00 34.41 H new ATOM 0 HA VAL A 34 1.815 10.033 -0.714 1.00 12.14 H new ATOM 0 HB VAL A 34 1.673 7.050 -0.116 1.00 42.34 H new ATOM 0 HG11 VAL A 34 0.278 6.886 -2.137 1.00 22.53 H new ATOM 0 HG12 VAL A 34 -0.499 7.870 -0.875 1.00 22.53 H new ATOM 0 HG13 VAL A 34 0.270 8.661 -2.271 1.00 22.53 H new ATOM 0 HG21 VAL A 34 2.739 6.811 -2.323 1.00 31.11 H new ATOM 0 HG22 VAL A 34 2.836 8.582 -2.464 1.00 31.11 H new ATOM 0 HG23 VAL A 34 3.756 7.738 -1.195 1.00 31.11 H new ATOM 485 N LYS A 35 0.562 8.840 2.065 1.00 3.42 N ATOM 486 CA LYS A 35 -0.563 8.924 2.988 1.00 64.40 C ATOM 487 C LYS A 35 -1.051 10.363 3.122 1.00 1.23 C ATOM 488 O LYS A 35 -2.230 10.607 3.373 1.00 31.45 O ATOM 489 CB LYS A 35 -0.162 8.381 4.361 1.00 75.42 C ATOM 490 CG LYS A 35 0.584 9.386 5.220 1.00 20.31 C ATOM 491 CD LYS A 35 1.260 8.717 6.405 1.00 12.31 C ATOM 492 CE LYS A 35 0.271 8.443 7.529 1.00 25.32 C ATOM 493 NZ LYS A 35 0.145 9.606 8.451 1.00 70.14 N ATOM 0 H LYS A 35 1.381 8.361 2.441 1.00 3.42 H new ATOM 0 HA LYS A 35 -1.376 8.319 2.587 1.00 64.40 H new ATOM 0 HB2 LYS A 35 -1.059 8.058 4.890 1.00 75.42 H new ATOM 0 HB3 LYS A 35 0.463 7.498 4.225 1.00 75.42 H new ATOM 0 HG2 LYS A 35 1.332 9.898 4.615 1.00 20.31 H new ATOM 0 HG3 LYS A 35 -0.111 10.146 5.578 1.00 20.31 H new ATOM 0 HD2 LYS A 35 1.716 7.781 6.084 1.00 12.31 H new ATOM 0 HD3 LYS A 35 2.064 9.354 6.774 1.00 12.31 H new ATOM 0 HE2 LYS A 35 -0.705 8.208 7.105 1.00 25.32 H new ATOM 0 HE3 LYS A 35 0.594 7.567 8.091 1.00 25.32 H new ATOM 0 HZ1 LYS A 35 -0.537 9.381 9.203 1.00 70.14 H new ATOM 0 HZ2 LYS A 35 1.071 9.815 8.875 1.00 70.14 H new ATOM 0 HZ3 LYS A 35 -0.187 10.436 7.920 1.00 70.14 H new ATOM 503 N ALA A 36 -0.136 11.312 2.951 1.00 1.14 N ATOM 504 CA ALA A 36 -0.474 12.726 3.048 1.00 34.02 C ATOM 505 C ALA A 36 -1.441 13.137 1.943 1.00 13.41 C ATOM 506 O ALA A 36 -2.269 14.030 2.128 1.00 44.40 O ATOM 507 CB ALA A 36 0.786 13.576 2.992 1.00 42.15 C ATOM 0 H ALA A 36 0.845 11.126 2.744 1.00 1.14 H new ATOM 0 HA ALA A 36 -0.967 12.890 4.006 1.00 34.02 H new ATOM 0 HB1 ALA A 36 0.518 14.630 3.066 1.00 42.15 H new ATOM 0 HB2 ALA A 36 1.442 13.310 3.821 1.00 42.15 H new ATOM 0 HB3 ALA A 36 1.303 13.398 2.049 1.00 42.15 H new ATOM 513 N LYS A 37 -1.333 12.480 0.793 1.00 62.15 N ATOM 514 CA LYS A 37 -2.197 12.775 -0.342 1.00 25.33 C ATOM 515 C LYS A 37 -3.596 12.206 -0.125 1.00 71.52 C ATOM 516 O LYS A 37 -4.590 12.927 -0.216 1.00 43.55 O ATOM 517 CB LYS A 37 -1.597 12.204 -1.629 1.00 10.33 C ATOM 518 CG LYS A 37 -0.764 13.206 -2.409 1.00 42.04 C ATOM 519 CD LYS A 37 -1.479 13.664 -3.670 1.00 63.42 C ATOM 520 CE LYS A 37 -2.224 14.971 -3.444 1.00 4.31 C ATOM 521 NZ LYS A 37 -1.292 16.102 -3.180 1.00 34.40 N ATOM 0 H LYS A 37 -0.654 11.738 0.623 1.00 62.15 H new ATOM 0 HA LYS A 37 -2.275 13.858 -0.434 1.00 25.33 H new ATOM 0 HB2 LYS A 37 -0.976 11.344 -1.380 1.00 10.33 H new ATOM 0 HB3 LYS A 37 -2.404 11.841 -2.266 1.00 10.33 H new ATOM 0 HG2 LYS A 37 -0.547 14.069 -1.779 1.00 42.04 H new ATOM 0 HG3 LYS A 37 0.193 12.757 -2.675 1.00 42.04 H new ATOM 0 HD2 LYS A 37 -0.755 13.791 -4.475 1.00 63.42 H new ATOM 0 HD3 LYS A 37 -2.181 12.895 -3.992 1.00 63.42 H new ATOM 0 HE2 LYS A 37 -2.832 15.198 -4.319 1.00 4.31 H new ATOM 0 HE3 LYS A 37 -2.907 14.859 -2.602 1.00 4.31 H new ATOM 0 HZ1 LYS A 37 -1.736 16.994 -3.477 1.00 34.40 H new ATOM 0 HZ2 LYS A 37 -1.076 16.144 -2.163 1.00 34.40 H new ATOM 0 HZ3 LYS A 37 -0.412 15.959 -3.715 1.00 34.40 H new ATOM 531 N ILE A 38 -3.663 10.911 0.166 1.00 71.10 N ATOM 532 CA ILE A 38 -4.940 10.248 0.400 1.00 11.42 C ATOM 533 C ILE A 38 -5.636 10.812 1.633 1.00 72.11 C ATOM 534 O ILE A 38 -6.853 10.997 1.641 1.00 64.11 O ATOM 535 CB ILE A 38 -4.760 8.728 0.576 1.00 73.15 C ATOM 536 CG1 ILE A 38 -6.107 8.063 0.868 1.00 64.53 C ATOM 537 CG2 ILE A 38 -3.767 8.438 1.692 1.00 30.10 C ATOM 538 CD1 ILE A 38 -7.204 8.476 -0.087 1.00 3.32 C ATOM 0 H ILE A 38 -2.849 10.301 0.245 1.00 71.10 H new ATOM 0 HA ILE A 38 -5.558 10.434 -0.479 1.00 11.42 H new ATOM 0 HB ILE A 38 -4.365 8.314 -0.352 1.00 73.15 H new ATOM 0 HG12 ILE A 38 -5.986 6.981 0.823 1.00 64.53 H new ATOM 0 HG13 ILE A 38 -6.411 8.308 1.886 1.00 64.53 H new ATOM 0 HG21 ILE A 38 -3.650 7.360 1.804 1.00 30.10 H new ATOM 0 HG22 ILE A 38 -2.803 8.884 1.446 1.00 30.10 H new ATOM 0 HG23 ILE A 38 -4.135 8.862 2.626 1.00 30.10 H new ATOM 0 HD11 ILE A 38 -8.130 7.966 0.180 1.00 3.32 H new ATOM 0 HD12 ILE A 38 -7.353 9.554 -0.026 1.00 3.32 H new ATOM 0 HD13 ILE A 38 -6.921 8.206 -1.105 1.00 3.32 H new ATOM 549 N GLN A 39 -4.854 11.085 2.674 1.00 0.23 N ATOM 550 CA GLN A 39 -5.396 11.631 3.912 1.00 54.12 C ATOM 551 C GLN A 39 -6.256 12.860 3.637 1.00 5.34 C ATOM 552 O GLN A 39 -7.275 13.077 4.292 1.00 51.21 O ATOM 553 CB GLN A 39 -4.263 11.992 4.874 1.00 42.22 C ATOM 554 CG GLN A 39 -3.826 10.837 5.761 1.00 32.42 C ATOM 555 CD GLN A 39 -4.538 10.828 7.099 1.00 31.31 C ATOM 556 OE1 GLN A 39 -5.627 11.386 7.239 1.00 74.32 O ATOM 557 NE2 GLN A 39 -3.926 10.193 8.091 1.00 52.24 N ATOM 0 H GLN A 39 -3.845 10.937 2.684 1.00 0.23 H new ATOM 0 HA GLN A 39 -6.024 10.867 4.371 1.00 54.12 H new ATOM 0 HB2 GLN A 39 -3.406 12.341 4.298 1.00 42.22 H new ATOM 0 HB3 GLN A 39 -4.583 12.822 5.504 1.00 42.22 H new ATOM 0 HG2 GLN A 39 -4.017 9.896 5.246 1.00 32.42 H new ATOM 0 HG3 GLN A 39 -2.750 10.898 5.926 1.00 32.42 H new ATOM 0 HE21 GLN A 39 -3.024 9.744 7.930 1.00 52.24 H new ATOM 0 HE22 GLN A 39 -4.358 10.154 9.014 1.00 52.24 H new ATOM 564 N ASP A 40 -5.838 13.661 2.663 1.00 2.02 N ATOM 565 CA ASP A 40 -6.570 14.869 2.298 1.00 73.13 C ATOM 566 C ASP A 40 -7.808 14.526 1.474 1.00 24.21 C ATOM 567 O ASP A 40 -8.791 15.268 1.472 1.00 0.10 O ATOM 568 CB ASP A 40 -5.668 15.822 1.515 1.00 44.20 C ATOM 569 CG ASP A 40 -6.455 16.864 0.745 1.00 52.42 C ATOM 570 OD1 ASP A 40 -7.331 17.513 1.353 1.00 3.24 O ATOM 571 OD2 ASP A 40 -6.195 17.029 -0.466 1.00 23.22 O ATOM 0 H ASP A 40 -4.996 13.496 2.112 1.00 2.02 H new ATOM 0 HA ASP A 40 -6.892 15.360 3.216 1.00 73.13 H new ATOM 0 HB2 ASP A 40 -4.987 16.321 2.204 1.00 44.20 H new ATOM 0 HB3 ASP A 40 -5.054 15.248 0.821 1.00 44.20 H new ATOM 575 N LYS A 41 -7.752 13.399 0.773 1.00 31.42 N ATOM 576 CA LYS A 41 -8.867 12.957 -0.056 1.00 24.32 C ATOM 577 C LYS A 41 -9.999 12.404 0.804 1.00 4.43 C ATOM 578 O LYS A 41 -11.137 12.863 0.716 1.00 23.21 O ATOM 579 CB LYS A 41 -8.399 11.890 -1.049 1.00 23.22 C ATOM 580 CG LYS A 41 -7.327 12.381 -2.009 1.00 34.41 C ATOM 581 CD LYS A 41 -7.802 13.583 -2.808 1.00 51.21 C ATOM 582 CE LYS A 41 -6.689 14.150 -3.675 1.00 63.41 C ATOM 583 NZ LYS A 41 -7.199 14.632 -4.988 1.00 53.03 N ATOM 0 H LYS A 41 -6.946 12.774 0.762 1.00 31.42 H new ATOM 0 HA LYS A 41 -9.241 13.819 -0.608 1.00 24.32 H new ATOM 0 HB2 LYS A 41 -8.014 11.034 -0.495 1.00 23.22 H new ATOM 0 HB3 LYS A 41 -9.256 11.539 -1.623 1.00 23.22 H new ATOM 0 HG2 LYS A 41 -6.430 12.646 -1.449 1.00 34.41 H new ATOM 0 HG3 LYS A 41 -7.051 11.576 -2.690 1.00 34.41 H new ATOM 0 HD2 LYS A 41 -8.643 13.293 -3.437 1.00 51.21 H new ATOM 0 HD3 LYS A 41 -8.163 14.354 -2.128 1.00 51.21 H new ATOM 0 HE2 LYS A 41 -6.203 14.973 -3.150 1.00 63.41 H new ATOM 0 HE3 LYS A 41 -5.931 13.384 -3.839 1.00 63.41 H new ATOM 0 HZ1 LYS A 41 -6.399 14.916 -5.588 1.00 53.03 H new ATOM 0 HZ2 LYS A 41 -7.729 13.869 -5.456 1.00 53.03 H new ATOM 0 HZ3 LYS A 41 -7.827 15.448 -4.838 1.00 53.03 H new ATOM 593 N GLU A 42 -9.677 11.418 1.634 1.00 53.43 N ATOM 594 CA GLU A 42 -10.668 10.804 2.510 1.00 14.11 C ATOM 595 C GLU A 42 -10.198 10.821 3.962 1.00 23.33 C ATOM 596 O GLU A 42 -10.995 10.995 4.882 1.00 43.02 O ATOM 597 CB GLU A 42 -10.949 9.365 2.071 1.00 1.41 C ATOM 598 CG GLU A 42 -12.002 9.256 0.982 1.00 3.51 C ATOM 599 CD GLU A 42 -13.411 9.437 1.511 1.00 40.15 C ATOM 600 OE1 GLU A 42 -13.563 9.658 2.731 1.00 3.44 O ATOM 601 OE2 GLU A 42 -14.361 9.358 0.706 1.00 13.25 O ATOM 0 H GLU A 42 -8.739 11.027 1.719 1.00 53.43 H new ATOM 0 HA GLU A 42 -11.587 11.385 2.437 1.00 14.11 H new ATOM 0 HB2 GLU A 42 -10.022 8.915 1.715 1.00 1.41 H new ATOM 0 HB3 GLU A 42 -11.272 8.787 2.936 1.00 1.41 H new ATOM 0 HG2 GLU A 42 -11.806 10.007 0.217 1.00 3.51 H new ATOM 0 HG3 GLU A 42 -11.921 8.281 0.500 1.00 3.51 H new ATOM 606 N GLY A 43 -8.895 10.639 4.158 1.00 10.11 N ATOM 607 CA GLY A 43 -8.339 10.636 5.498 1.00 31.53 C ATOM 608 C GLY A 43 -8.003 9.241 5.984 1.00 44.53 C ATOM 609 O GLY A 43 -7.822 9.020 7.182 1.00 43.54 O ATOM 0 H GLY A 43 -8.215 10.494 3.412 1.00 10.11 H new ATOM 0 HA2 GLY A 43 -7.439 11.250 5.516 1.00 31.53 H new ATOM 0 HA3 GLY A 43 -9.051 11.095 6.184 1.00 31.53 H new ATOM 613 N ILE A 44 -7.920 8.296 5.053 1.00 21.10 N ATOM 614 CA ILE A 44 -7.603 6.915 5.393 1.00 62.23 C ATOM 615 C ILE A 44 -6.141 6.597 5.097 1.00 51.25 C ATOM 616 O ILE A 44 -5.745 6.386 3.950 1.00 22.32 O ATOM 617 CB ILE A 44 -8.497 5.926 4.622 1.00 54.13 C ATOM 618 CG1 ILE A 44 -9.953 6.395 4.648 1.00 21.11 C ATOM 619 CG2 ILE A 44 -8.375 4.529 5.213 1.00 62.51 C ATOM 620 CD1 ILE A 44 -10.529 6.504 6.042 1.00 31.54 C ATOM 0 H ILE A 44 -8.068 8.462 4.058 1.00 21.10 H new ATOM 0 HA ILE A 44 -7.788 6.803 6.461 1.00 62.23 H new ATOM 0 HB ILE A 44 -8.164 5.891 3.585 1.00 54.13 H new ATOM 0 HG12 ILE A 44 -10.022 7.366 4.158 1.00 21.11 H new ATOM 0 HG13 ILE A 44 -10.560 5.701 4.066 1.00 21.11 H new ATOM 0 HG21 ILE A 44 -9.013 3.842 4.657 1.00 62.51 H new ATOM 0 HG22 ILE A 44 -7.339 4.196 5.148 1.00 62.51 H new ATOM 0 HG23 ILE A 44 -8.685 4.548 6.258 1.00 62.51 H new ATOM 0 HD11 ILE A 44 -11.564 6.842 5.983 1.00 31.54 H new ATOM 0 HD12 ILE A 44 -10.493 5.529 6.528 1.00 31.54 H new ATOM 0 HD13 ILE A 44 -9.946 7.220 6.621 1.00 31.54 H new ATOM 631 N PRO A 45 -5.318 6.560 6.155 1.00 61.41 N ATOM 632 CA PRO A 45 -3.886 6.266 6.035 1.00 12.42 C ATOM 633 C PRO A 45 -3.624 4.813 5.656 1.00 45.44 C ATOM 634 O PRO A 45 -4.501 3.954 5.746 1.00 64.34 O ATOM 635 CB PRO A 45 -3.345 6.559 7.436 1.00 62.21 C ATOM 636 CG PRO A 45 -4.515 6.374 8.340 1.00 62.13 C ATOM 637 CD PRO A 45 -5.721 6.802 7.551 1.00 51.13 C ATOM 0 HA PRO A 45 -3.413 6.855 5.249 1.00 12.42 H new ATOM 0 HB2 PRO A 45 -2.532 5.881 7.696 1.00 62.21 H new ATOM 0 HB3 PRO A 45 -2.949 7.572 7.504 1.00 62.21 H new ATOM 0 HG2 PRO A 45 -4.604 5.334 8.655 1.00 62.13 H new ATOM 0 HG3 PRO A 45 -4.408 6.973 9.244 1.00 62.13 H new ATOM 0 HD2 PRO A 45 -6.604 6.223 7.821 1.00 51.13 H new ATOM 0 HD3 PRO A 45 -5.963 7.851 7.724 1.00 51.13 H new ATOM 642 N PRO A 46 -2.386 4.529 5.221 1.00 54.52 N ATOM 643 CA PRO A 46 -1.979 3.179 4.820 1.00 3.22 C ATOM 644 C PRO A 46 -1.887 2.224 6.006 1.00 25.34 C ATOM 645 O PRO A 46 -2.221 1.046 5.893 1.00 75.32 O ATOM 646 CB PRO A 46 -0.596 3.396 4.199 1.00 11.23 C ATOM 647 CG PRO A 46 -0.085 4.640 4.838 1.00 11.03 C ATOM 648 CD PRO A 46 -1.291 5.503 5.087 1.00 63.22 C ATOM 0 HA PRO A 46 -2.699 2.721 4.142 1.00 3.22 H new ATOM 0 HB2 PRO A 46 0.063 2.550 4.395 1.00 11.23 H new ATOM 0 HB3 PRO A 46 -0.661 3.505 3.116 1.00 11.23 H new ATOM 0 HG2 PRO A 46 0.433 4.415 5.770 1.00 11.03 H new ATOM 0 HG3 PRO A 46 0.630 5.146 4.190 1.00 11.03 H new ATOM 0 HD2 PRO A 46 -1.175 6.104 5.989 1.00 63.22 H new ATOM 0 HD3 PRO A 46 -1.467 6.195 4.263 1.00 63.22 H new ATOM 653 N ASP A 47 -1.431 2.743 7.141 1.00 14.40 N ATOM 654 CA ASP A 47 -1.296 1.937 8.349 1.00 75.11 C ATOM 655 C ASP A 47 -2.659 1.443 8.828 1.00 22.41 C ATOM 656 O ASP A 47 -2.745 0.531 9.648 1.00 71.34 O ATOM 657 CB ASP A 47 -0.616 2.746 9.454 1.00 41.44 C ATOM 658 CG ASP A 47 0.589 3.515 8.950 1.00 43.23 C ATOM 659 OD1 ASP A 47 1.615 2.874 8.638 1.00 72.34 O ATOM 660 OD2 ASP A 47 0.507 4.757 8.865 1.00 33.30 O ATOM 0 H ASP A 47 -1.149 3.717 7.250 1.00 14.40 H new ATOM 0 HA ASP A 47 -0.678 1.071 8.111 1.00 75.11 H new ATOM 0 HB2 ASP A 47 -1.335 3.444 9.884 1.00 41.44 H new ATOM 0 HB3 ASP A 47 -0.306 2.074 10.254 1.00 41.44 H new ATOM 664 N GLN A 48 -3.719 2.055 8.311 1.00 24.13 N ATOM 665 CA GLN A 48 -5.077 1.680 8.687 1.00 51.23 C ATOM 666 C GLN A 48 -5.765 0.921 7.557 1.00 62.31 C ATOM 667 O GLN A 48 -6.962 0.645 7.622 1.00 32.52 O ATOM 668 CB GLN A 48 -5.890 2.923 9.053 1.00 4.44 C ATOM 669 CG GLN A 48 -5.478 3.553 10.373 1.00 64.30 C ATOM 670 CD GLN A 48 -6.491 4.560 10.880 1.00 13.14 C ATOM 671 OE1 GLN A 48 -7.685 4.456 10.595 1.00 45.50 O ATOM 672 NE2 GLN A 48 -6.021 5.544 11.638 1.00 5.15 N ATOM 0 H GLN A 48 -3.664 2.813 7.630 1.00 24.13 H new ATOM 0 HA GLN A 48 -5.018 1.025 9.556 1.00 51.23 H new ATOM 0 HB2 GLN A 48 -5.785 3.662 8.259 1.00 4.44 H new ATOM 0 HB3 GLN A 48 -6.945 2.655 9.102 1.00 4.44 H new ATOM 0 HG2 GLN A 48 -5.345 2.770 11.119 1.00 64.30 H new ATOM 0 HG3 GLN A 48 -4.513 4.044 10.251 1.00 64.30 H new ATOM 0 HE21 GLN A 48 -5.024 5.593 11.850 1.00 5.15 H new ATOM 0 HE22 GLN A 48 -6.657 6.251 12.008 1.00 5.15 H new ATOM 679 N GLN A 49 -5.000 0.586 6.524 1.00 5.03 N ATOM 680 CA GLN A 49 -5.537 -0.140 5.379 1.00 21.20 C ATOM 681 C GLN A 49 -4.461 -1.001 4.727 1.00 44.40 C ATOM 682 O GLN A 49 -3.374 -1.176 5.278 1.00 23.03 O ATOM 683 CB GLN A 49 -6.115 0.838 4.354 1.00 11.30 C ATOM 684 CG GLN A 49 -5.062 1.483 3.467 1.00 51.02 C ATOM 685 CD GLN A 49 -5.396 2.919 3.115 1.00 54.11 C ATOM 686 OE1 GLN A 49 -6.517 3.379 3.333 1.00 12.11 O ATOM 687 NE2 GLN A 49 -4.422 3.637 2.568 1.00 53.24 N ATOM 0 H GLN A 49 -4.006 0.806 6.456 1.00 5.03 H new ATOM 0 HA GLN A 49 -6.333 -0.794 5.736 1.00 21.20 H new ATOM 0 HB2 GLN A 49 -6.833 0.311 3.726 1.00 11.30 H new ATOM 0 HB3 GLN A 49 -6.664 1.620 4.879 1.00 11.30 H new ATOM 0 HG2 GLN A 49 -4.097 1.452 3.973 1.00 51.02 H new ATOM 0 HG3 GLN A 49 -4.960 0.903 2.550 1.00 51.02 H new ATOM 0 HE21 GLN A 49 -3.508 3.216 2.405 1.00 53.24 H new ATOM 0 HE22 GLN A 49 -4.588 4.610 2.311 1.00 53.24 H new ATOM 694 N ARG A 50 -4.771 -1.538 3.552 1.00 12.30 N ATOM 695 CA ARG A 50 -3.832 -2.384 2.825 1.00 23.21 C ATOM 696 C ARG A 50 -3.628 -1.872 1.402 1.00 15.52 C ATOM 697 O ARG A 50 -4.418 -1.072 0.900 1.00 24.43 O ATOM 698 CB ARG A 50 -4.332 -3.829 2.794 1.00 45.24 C ATOM 699 CG ARG A 50 -5.654 -4.000 2.063 1.00 64.54 C ATOM 700 CD ARG A 50 -6.594 -4.924 2.821 1.00 62.31 C ATOM 701 NE ARG A 50 -6.279 -6.332 2.592 1.00 52.11 N ATOM 702 CZ ARG A 50 -6.498 -6.956 1.440 1.00 24.53 C ATOM 703 NH1 ARG A 50 -7.028 -6.299 0.418 1.00 3.42 N ATOM 704 NH2 ARG A 50 -6.185 -8.238 1.309 1.00 54.24 N ATOM 0 H ARG A 50 -5.666 -1.402 3.082 1.00 12.30 H new ATOM 0 HA ARG A 50 -2.874 -2.351 3.344 1.00 23.21 H new ATOM 0 HB2 ARG A 50 -3.579 -4.455 2.316 1.00 45.24 H new ATOM 0 HB3 ARG A 50 -4.443 -4.188 3.817 1.00 45.24 H new ATOM 0 HG2 ARG A 50 -6.127 -3.027 1.931 1.00 64.54 H new ATOM 0 HG3 ARG A 50 -5.471 -4.403 1.067 1.00 64.54 H new ATOM 0 HD2 ARG A 50 -6.533 -4.708 3.888 1.00 62.31 H new ATOM 0 HD3 ARG A 50 -7.621 -4.728 2.514 1.00 62.31 H new ATOM 0 HE ARG A 50 -5.868 -6.865 3.359 1.00 52.11 H new ATOM 0 HH11 ARG A 50 -7.268 -5.313 0.515 1.00 3.42 H new ATOM 0 HH12 ARG A 50 -7.195 -6.780 -0.466 1.00 3.42 H new ATOM 0 HH21 ARG A 50 -5.776 -8.746 2.093 1.00 54.24 H new ATOM 0 HH22 ARG A 50 -6.354 -8.716 0.424 1.00 54.24 H new ATOM 715 N LEU A 51 -2.566 -2.341 0.756 1.00 32.42 N ATOM 716 CA LEU A 51 -2.258 -1.931 -0.609 1.00 51.22 C ATOM 717 C LEU A 51 -2.625 -3.029 -1.603 1.00 52.04 C ATOM 718 O LEU A 51 -2.430 -4.215 -1.331 1.00 4.23 O ATOM 719 CB LEU A 51 -0.774 -1.587 -0.738 1.00 71.45 C ATOM 720 CG LEU A 51 -0.451 -0.154 -1.164 1.00 20.52 C ATOM 721 CD1 LEU A 51 -0.694 0.813 -0.015 1.00 41.54 C ATOM 722 CD2 LEU A 51 0.986 -0.054 -1.654 1.00 22.11 C ATOM 0 H LEU A 51 -1.904 -3.006 1.156 1.00 32.42 H new ATOM 0 HA LEU A 51 -2.851 -1.045 -0.838 1.00 51.22 H new ATOM 0 HB2 LEU A 51 -0.293 -1.777 0.222 1.00 71.45 H new ATOM 0 HB3 LEU A 51 -0.325 -2.269 -1.460 1.00 71.45 H new ATOM 0 HG LEU A 51 -1.113 0.118 -1.986 1.00 20.52 H new ATOM 0 HD11 LEU A 51 -0.459 1.827 -0.337 1.00 41.54 H new ATOM 0 HD12 LEU A 51 -1.740 0.762 0.289 1.00 41.54 H new ATOM 0 HD13 LEU A 51 -0.058 0.543 0.828 1.00 41.54 H new ATOM 0 HD21 LEU A 51 1.198 0.973 -1.953 1.00 22.11 H new ATOM 0 HD22 LEU A 51 1.665 -0.346 -0.853 1.00 22.11 H new ATOM 0 HD23 LEU A 51 1.126 -0.717 -2.508 1.00 22.11 H new ATOM 733 N ILE A 52 -3.154 -2.627 -2.753 1.00 0.04 N ATOM 734 CA ILE A 52 -3.544 -3.577 -3.788 1.00 72.54 C ATOM 735 C ILE A 52 -2.940 -3.200 -5.136 1.00 70.13 C ATOM 736 O ILE A 52 -3.207 -2.124 -5.669 1.00 22.45 O ATOM 737 CB ILE A 52 -5.076 -3.658 -3.929 1.00 41.04 C ATOM 738 CG1 ILE A 52 -5.674 -4.466 -2.775 1.00 50.11 C ATOM 739 CG2 ILE A 52 -5.451 -4.276 -5.267 1.00 54.11 C ATOM 740 CD1 ILE A 52 -5.601 -3.758 -1.440 1.00 42.44 C ATOM 0 H ILE A 52 -3.323 -1.650 -2.992 1.00 0.04 H new ATOM 0 HA ILE A 52 -3.163 -4.551 -3.482 1.00 72.54 H new ATOM 0 HB ILE A 52 -5.485 -2.648 -3.890 1.00 41.04 H new ATOM 0 HG12 ILE A 52 -6.716 -4.691 -3.001 1.00 50.11 H new ATOM 0 HG13 ILE A 52 -5.151 -5.420 -2.701 1.00 50.11 H new ATOM 0 HG21 ILE A 52 -6.536 -4.327 -5.353 1.00 54.11 H new ATOM 0 HG22 ILE A 52 -5.051 -3.664 -6.075 1.00 54.11 H new ATOM 0 HG23 ILE A 52 -5.034 -5.281 -5.333 1.00 54.11 H new ATOM 0 HD11 ILE A 52 -6.043 -4.389 -0.669 1.00 42.44 H new ATOM 0 HD12 ILE A 52 -4.559 -3.557 -1.191 1.00 42.44 H new ATOM 0 HD13 ILE A 52 -6.148 -2.817 -1.497 1.00 42.44 H new ATOM 751 N PHE A 53 -2.123 -4.095 -5.683 1.00 72.32 N ATOM 752 CA PHE A 53 -1.481 -3.857 -6.971 1.00 72.44 C ATOM 753 C PHE A 53 -1.762 -5.002 -7.938 1.00 55.11 C ATOM 754 O PHE A 53 -1.269 -6.116 -7.759 1.00 24.43 O ATOM 755 CB PHE A 53 0.029 -3.688 -6.787 1.00 25.11 C ATOM 756 CG PHE A 53 0.800 -3.756 -8.074 1.00 1.01 C ATOM 757 CD1 PHE A 53 0.364 -3.067 -9.195 1.00 24.11 C ATOM 758 CD2 PHE A 53 1.960 -4.507 -8.164 1.00 41.54 C ATOM 759 CE1 PHE A 53 1.072 -3.128 -10.381 1.00 23.50 C ATOM 760 CE2 PHE A 53 2.672 -4.572 -9.346 1.00 4.55 C ATOM 761 CZ PHE A 53 2.227 -3.880 -10.456 1.00 44.44 C ATOM 0 H PHE A 53 -1.890 -4.991 -5.255 1.00 72.32 H new ATOM 0 HA PHE A 53 -1.894 -2.940 -7.392 1.00 72.44 H new ATOM 0 HB2 PHE A 53 0.223 -2.729 -6.306 1.00 25.11 H new ATOM 0 HB3 PHE A 53 0.394 -4.463 -6.113 1.00 25.11 H new ATOM 0 HD1 PHE A 53 -0.538 -2.476 -9.141 1.00 24.11 H new ATOM 0 HD2 PHE A 53 2.313 -5.049 -7.299 1.00 41.54 H new ATOM 0 HE1 PHE A 53 0.722 -2.588 -11.248 1.00 23.50 H new ATOM 0 HE2 PHE A 53 3.575 -5.162 -9.402 1.00 4.55 H new ATOM 0 HZ PHE A 53 2.782 -3.927 -11.381 1.00 44.44 H new ATOM 770 N ALA A 54 -2.559 -4.721 -8.964 1.00 23.53 N ATOM 771 CA ALA A 54 -2.906 -5.725 -9.961 1.00 44.31 C ATOM 772 C ALA A 54 -3.484 -6.975 -9.304 1.00 65.20 C ATOM 773 O ALA A 54 -3.321 -8.085 -9.808 1.00 23.23 O ATOM 774 CB ALA A 54 -1.685 -6.083 -10.796 1.00 42.30 C ATOM 0 H ALA A 54 -2.977 -3.805 -9.126 1.00 23.53 H new ATOM 0 HA ALA A 54 -3.670 -5.303 -10.615 1.00 44.31 H new ATOM 0 HB1 ALA A 54 -1.958 -6.834 -11.537 1.00 42.30 H new ATOM 0 HB2 ALA A 54 -1.316 -5.191 -11.303 1.00 42.30 H new ATOM 0 HB3 ALA A 54 -0.904 -6.481 -10.147 1.00 42.30 H new ATOM 780 N GLY A 55 -4.160 -6.785 -8.175 1.00 62.34 N ATOM 781 CA GLY A 55 -4.751 -7.905 -7.467 1.00 24.31 C ATOM 782 C GLY A 55 -3.841 -8.454 -6.387 1.00 61.53 C ATOM 783 O GLY A 55 -4.292 -9.150 -5.477 1.00 55.20 O ATOM 0 H GLY A 55 -4.309 -5.875 -7.738 1.00 62.34 H new ATOM 0 HA2 GLY A 55 -5.693 -7.591 -7.018 1.00 24.31 H new ATOM 0 HA3 GLY A 55 -4.985 -8.697 -8.178 1.00 24.31 H new ATOM 787 N LYS A 56 -2.553 -8.141 -6.485 1.00 72.51 N ATOM 788 CA LYS A 56 -1.575 -8.607 -5.508 1.00 1.33 C ATOM 789 C LYS A 56 -1.275 -7.523 -4.479 1.00 63.02 C ATOM 790 O LYS A 56 -0.918 -6.400 -4.835 1.00 34.54 O ATOM 791 CB LYS A 56 -0.284 -9.030 -6.212 1.00 23.12 C ATOM 792 CG LYS A 56 0.697 -9.749 -5.303 1.00 72.23 C ATOM 793 CD LYS A 56 2.133 -9.545 -5.758 1.00 71.14 C ATOM 794 CE LYS A 56 2.744 -8.301 -5.131 1.00 71.22 C ATOM 795 NZ LYS A 56 3.999 -7.892 -5.821 1.00 13.20 N ATOM 0 H LYS A 56 -2.162 -7.566 -7.231 1.00 72.51 H new ATOM 0 HA LYS A 56 -1.997 -9.467 -4.989 1.00 1.33 H new ATOM 0 HB2 LYS A 56 -0.534 -9.681 -7.050 1.00 23.12 H new ATOM 0 HB3 LYS A 56 0.200 -8.146 -6.628 1.00 23.12 H new ATOM 0 HG2 LYS A 56 0.583 -9.384 -4.282 1.00 72.23 H new ATOM 0 HG3 LYS A 56 0.467 -10.814 -5.288 1.00 72.23 H new ATOM 0 HD2 LYS A 56 2.728 -10.418 -5.491 1.00 71.14 H new ATOM 0 HD3 LYS A 56 2.163 -9.459 -6.844 1.00 71.14 H new ATOM 0 HE2 LYS A 56 2.024 -7.483 -5.171 1.00 71.22 H new ATOM 0 HE3 LYS A 56 2.953 -8.490 -4.078 1.00 71.22 H new ATOM 0 HZ1 LYS A 56 4.385 -7.041 -5.364 1.00 13.20 H new ATOM 0 HZ2 LYS A 56 4.695 -8.662 -5.761 1.00 13.20 H new ATOM 0 HZ3 LYS A 56 3.795 -7.687 -6.820 1.00 13.20 H new ATOM 805 N GLN A 57 -1.418 -7.868 -3.204 1.00 32.53 N ATOM 806 CA GLN A 57 -1.161 -6.922 -2.123 1.00 1.50 C ATOM 807 C GLN A 57 0.334 -6.810 -1.843 1.00 42.34 C ATOM 808 O GLN A 57 1.083 -7.773 -2.014 1.00 11.00 O ATOM 809 CB GLN A 57 -1.899 -7.353 -0.854 1.00 3.11 C ATOM 810 CG GLN A 57 -1.430 -6.628 0.397 1.00 52.33 C ATOM 811 CD GLN A 57 -2.336 -6.873 1.587 1.00 72.13 C ATOM 812 OE1 GLN A 57 -3.523 -7.162 1.430 1.00 11.50 O ATOM 813 NE2 GLN A 57 -1.781 -6.758 2.788 1.00 32.21 N ATOM 0 H GLN A 57 -1.710 -8.795 -2.893 1.00 32.53 H new ATOM 0 HA GLN A 57 -1.528 -5.944 -2.434 1.00 1.50 H new ATOM 0 HB2 GLN A 57 -2.967 -7.178 -0.987 1.00 3.11 H new ATOM 0 HB3 GLN A 57 -1.767 -8.426 -0.713 1.00 3.11 H new ATOM 0 HG2 GLN A 57 -0.419 -6.952 0.642 1.00 52.33 H new ATOM 0 HG3 GLN A 57 -1.382 -5.558 0.196 1.00 52.33 H new ATOM 0 HE21 GLN A 57 -0.794 -6.517 2.873 1.00 32.21 H new ATOM 0 HE22 GLN A 57 -2.342 -6.911 3.626 1.00 32.21 H new ATOM 820 N LEU A 58 0.762 -5.628 -1.413 1.00 44.55 N ATOM 821 CA LEU A 58 2.169 -5.390 -1.109 1.00 70.34 C ATOM 822 C LEU A 58 2.340 -4.890 0.322 1.00 24.05 C ATOM 823 O LEU A 58 1.411 -4.955 1.127 1.00 64.13 O ATOM 824 CB LEU A 58 2.758 -4.375 -2.090 1.00 63.41 C ATOM 825 CG LEU A 58 2.294 -4.498 -3.542 1.00 1.03 C ATOM 826 CD1 LEU A 58 1.008 -3.716 -3.759 1.00 72.51 C ATOM 827 CD2 LEU A 58 3.380 -4.014 -4.492 1.00 54.42 C ATOM 0 H LEU A 58 0.156 -4.821 -1.267 1.00 44.55 H new ATOM 0 HA LEU A 58 2.702 -6.335 -1.210 1.00 70.34 H new ATOM 0 HB2 LEU A 58 2.515 -3.373 -1.735 1.00 63.41 H new ATOM 0 HB3 LEU A 58 3.844 -4.466 -2.068 1.00 63.41 H new ATOM 0 HG LEU A 58 2.097 -5.549 -3.752 1.00 1.03 H new ATOM 0 HD11 LEU A 58 0.693 -3.815 -4.798 1.00 72.51 H new ATOM 0 HD12 LEU A 58 0.229 -4.108 -3.105 1.00 72.51 H new ATOM 0 HD13 LEU A 58 1.179 -2.664 -3.530 1.00 72.51 H new ATOM 0 HD21 LEU A 58 3.032 -4.109 -5.521 1.00 54.42 H new ATOM 0 HD22 LEU A 58 3.609 -2.969 -4.281 1.00 54.42 H new ATOM 0 HD23 LEU A 58 4.278 -4.617 -4.355 1.00 54.42 H new ATOM 890 N THR A 63 11.029 2.195 -1.150 1.00 73.41 N ATOM 891 CA THR A 63 10.404 2.808 -2.315 1.00 63.32 C ATOM 892 C THR A 63 10.107 1.768 -3.389 1.00 35.42 C ATOM 893 O THR A 63 10.552 0.623 -3.301 1.00 22.30 O ATOM 894 CB THR A 63 11.298 3.909 -2.916 1.00 33.12 C ATOM 895 OG1 THR A 63 12.486 3.330 -3.467 1.00 20.32 O ATOM 896 CG2 THR A 63 11.672 4.939 -1.861 1.00 64.12 C ATOM 0 HA THR A 63 9.469 3.254 -1.976 1.00 63.32 H new ATOM 0 HB THR A 63 10.738 4.409 -3.706 1.00 33.12 H new ATOM 0 HG1 THR A 63 13.168 3.254 -2.767 1.00 20.32 H new ATOM 0 HG21 THR A 63 12.303 5.706 -2.309 1.00 64.12 H new ATOM 0 HG22 THR A 63 10.767 5.400 -1.465 1.00 64.12 H new ATOM 0 HG23 THR A 63 12.214 4.450 -1.051 1.00 64.12 H new ATOM 904 N LEU A 64 9.350 2.173 -4.404 1.00 74.24 N ATOM 905 CA LEU A 64 8.992 1.276 -5.496 1.00 4.42 C ATOM 906 C LEU A 64 10.237 0.772 -6.218 1.00 64.44 C ATOM 907 O LEU A 64 10.331 -0.404 -6.569 1.00 71.52 O ATOM 908 CB LEU A 64 8.069 1.990 -6.486 1.00 53.34 C ATOM 909 CG LEU A 64 7.041 2.944 -5.877 1.00 44.03 C ATOM 910 CD1 LEU A 64 6.050 3.406 -6.935 1.00 74.34 C ATOM 911 CD2 LEU A 64 6.316 2.278 -4.717 1.00 50.31 C ATOM 0 H LEU A 64 8.973 3.117 -4.493 1.00 74.24 H new ATOM 0 HA LEU A 64 8.469 0.419 -5.072 1.00 4.42 H new ATOM 0 HB2 LEU A 64 8.686 2.552 -7.187 1.00 53.34 H new ATOM 0 HB3 LEU A 64 7.536 1.235 -7.065 1.00 53.34 H new ATOM 0 HG LEU A 64 7.567 3.819 -5.495 1.00 44.03 H new ATOM 0 HD11 LEU A 64 5.326 4.084 -6.484 1.00 74.34 H new ATOM 0 HD12 LEU A 64 6.584 3.923 -7.732 1.00 74.34 H new ATOM 0 HD13 LEU A 64 5.529 2.542 -7.348 1.00 74.34 H new ATOM 0 HD21 LEU A 64 5.588 2.972 -4.296 1.00 50.31 H new ATOM 0 HD22 LEU A 64 5.802 1.385 -5.074 1.00 50.31 H new ATOM 0 HD23 LEU A 64 7.037 1.999 -3.949 1.00 50.31 H new ATOM 922 N SER A 65 11.194 1.670 -6.434 1.00 34.23 N ATOM 923 CA SER A 65 12.434 1.317 -7.114 1.00 21.15 C ATOM 924 C SER A 65 13.216 0.280 -6.315 1.00 53.52 C ATOM 925 O SER A 65 13.882 -0.584 -6.886 1.00 61.33 O ATOM 926 CB SER A 65 13.294 2.564 -7.331 1.00 1.04 C ATOM 927 OG SER A 65 14.459 2.257 -8.077 1.00 42.52 O ATOM 0 H SER A 65 11.134 2.647 -6.148 1.00 34.23 H new ATOM 0 HA SER A 65 12.178 0.887 -8.082 1.00 21.15 H new ATOM 0 HB2 SER A 65 12.713 3.324 -7.854 1.00 1.04 H new ATOM 0 HB3 SER A 65 13.577 2.987 -6.367 1.00 1.04 H new ATOM 0 HG SER A 65 14.990 3.071 -8.203 1.00 42.52 H new ATOM 932 N GLU A 66 13.128 0.371 -4.993 1.00 64.55 N ATOM 933 CA GLU A 66 13.829 -0.559 -4.114 1.00 14.43 C ATOM 934 C GLU A 66 13.134 -1.918 -4.098 1.00 52.21 C ATOM 935 O GLU A 66 13.787 -2.961 -4.041 1.00 3.30 O ATOM 936 CB GLU A 66 13.904 0.004 -2.694 1.00 50.11 C ATOM 937 CG GLU A 66 14.891 1.150 -2.546 1.00 70.13 C ATOM 938 CD GLU A 66 14.856 1.774 -1.164 1.00 32.24 C ATOM 939 OE1 GLU A 66 15.399 1.161 -0.221 1.00 11.45 O ATOM 940 OE2 GLU A 66 14.286 2.876 -1.026 1.00 32.53 O ATOM 0 H GLU A 66 12.578 1.079 -4.506 1.00 64.55 H new ATOM 0 HA GLU A 66 14.841 -0.690 -4.498 1.00 14.43 H new ATOM 0 HB2 GLU A 66 12.914 0.348 -2.395 1.00 50.11 H new ATOM 0 HB3 GLU A 66 14.184 -0.796 -2.009 1.00 50.11 H new ATOM 0 HG2 GLU A 66 15.898 0.786 -2.751 1.00 70.13 H new ATOM 0 HG3 GLU A 66 14.670 1.914 -3.291 1.00 70.13 H new ATOM 945 N TYR A 67 11.807 -1.898 -4.147 1.00 54.13 N ATOM 946 CA TYR A 67 11.023 -3.128 -4.135 1.00 42.42 C ATOM 947 C TYR A 67 10.888 -3.702 -5.542 1.00 42.51 C ATOM 948 O TYR A 67 10.353 -4.794 -5.730 1.00 14.01 O ATOM 949 CB TYR A 67 9.637 -2.869 -3.544 1.00 63.51 C ATOM 950 CG TYR A 67 9.174 -3.946 -2.589 1.00 25.50 C ATOM 951 CD1 TYR A 67 8.728 -5.174 -3.061 1.00 74.03 C ATOM 952 CD2 TYR A 67 9.182 -3.735 -1.216 1.00 63.23 C ATOM 953 CE1 TYR A 67 8.304 -6.161 -2.192 1.00 11.33 C ATOM 954 CE2 TYR A 67 8.761 -4.717 -0.340 1.00 11.13 C ATOM 955 CZ TYR A 67 8.323 -5.928 -0.833 1.00 55.14 C ATOM 956 OH TYR A 67 7.901 -6.909 0.036 1.00 22.34 O ATOM 0 H TYR A 67 11.251 -1.044 -4.195 1.00 54.13 H new ATOM 0 HA TYR A 67 11.546 -3.855 -3.514 1.00 42.42 H new ATOM 0 HB2 TYR A 67 9.647 -1.912 -3.022 1.00 63.51 H new ATOM 0 HB3 TYR A 67 8.916 -2.781 -4.356 1.00 63.51 H new ATOM 0 HD1 TYR A 67 8.712 -5.360 -4.125 1.00 74.03 H new ATOM 0 HD2 TYR A 67 9.523 -2.787 -0.827 1.00 63.23 H new ATOM 0 HE1 TYR A 67 7.959 -7.110 -2.575 1.00 11.33 H new ATOM 0 HE2 TYR A 67 8.775 -4.537 0.725 1.00 11.13 H new ATOM 0 HH TYR A 67 7.979 -6.585 0.958 1.00 22.34 H new ATOM 965 N ASN A 68 11.379 -2.957 -6.528 1.00 52.14 N ATOM 966 CA ASN A 68 11.315 -3.391 -7.918 1.00 14.32 C ATOM 967 C ASN A 68 9.866 -3.529 -8.378 1.00 4.11 C ATOM 968 O ASN A 68 9.579 -4.212 -9.362 1.00 42.12 O ATOM 969 CB ASN A 68 12.046 -4.725 -8.093 1.00 30.35 C ATOM 970 CG ASN A 68 13.446 -4.695 -7.513 1.00 43.41 C ATOM 971 OD1 ASN A 68 13.627 -4.539 -6.305 1.00 12.23 O ATOM 972 ND2 ASN A 68 14.447 -4.847 -8.374 1.00 33.53 N ATOM 0 H ASN A 68 11.825 -2.050 -6.389 1.00 52.14 H new ATOM 0 HA ASN A 68 11.803 -2.634 -8.532 1.00 14.32 H new ATOM 0 HB2 ASN A 68 11.473 -5.517 -7.611 1.00 30.35 H new ATOM 0 HB3 ASN A 68 12.100 -4.971 -9.154 1.00 30.35 H new ATOM 0 HD21 ASN A 68 15.411 -4.837 -8.042 1.00 33.53 H new ATOM 0 HD22 ASN A 68 14.251 -4.974 -9.367 1.00 33.53 H new ATOM 978 N ILE A 69 8.960 -2.874 -7.661 1.00 11.13 N ATOM 979 CA ILE A 69 7.542 -2.923 -7.997 1.00 5.04 C ATOM 980 C ILE A 69 7.140 -1.729 -8.857 1.00 74.21 C ATOM 981 O ILE A 69 7.815 -0.700 -8.862 1.00 60.24 O ATOM 982 CB ILE A 69 6.664 -2.948 -6.731 1.00 4.24 C ATOM 983 CG1 ILE A 69 6.864 -1.666 -5.921 1.00 72.15 C ATOM 984 CG2 ILE A 69 6.987 -4.172 -5.888 1.00 32.44 C ATOM 985 CD1 ILE A 69 5.979 -1.582 -4.696 1.00 22.01 C ATOM 0 H ILE A 69 9.182 -2.304 -6.845 1.00 11.13 H new ATOM 0 HA ILE A 69 7.382 -3.843 -8.559 1.00 5.04 H new ATOM 0 HB ILE A 69 5.618 -3.005 -7.031 1.00 4.24 H new ATOM 0 HG12 ILE A 69 7.907 -1.600 -5.611 1.00 72.15 H new ATOM 0 HG13 ILE A 69 6.667 -0.806 -6.562 1.00 72.15 H new ATOM 0 HG21 ILE A 69 6.359 -4.176 -4.997 1.00 32.44 H new ATOM 0 HG22 ILE A 69 6.798 -5.074 -6.469 1.00 32.44 H new ATOM 0 HG23 ILE A 69 8.036 -4.144 -5.593 1.00 32.44 H new ATOM 0 HD11 ILE A 69 6.174 -0.648 -4.170 1.00 22.01 H new ATOM 0 HD12 ILE A 69 4.933 -1.616 -5.000 1.00 22.01 H new ATOM 0 HD13 ILE A 69 6.192 -2.422 -4.035 1.00 22.01 H new ATOM 996 N GLN A 70 6.036 -1.874 -9.582 1.00 0.31 N ATOM 997 CA GLN A 70 5.544 -0.806 -10.446 1.00 14.11 C ATOM 998 C GLN A 70 4.120 -0.414 -10.067 1.00 15.05 C ATOM 999 O GLN A 70 3.152 -0.887 -10.664 1.00 43.35 O ATOM 1000 CB GLN A 70 5.592 -1.244 -11.910 1.00 12.24 C ATOM 1001 CG GLN A 70 4.934 -2.590 -12.167 1.00 74.12 C ATOM 1002 CD GLN A 70 5.347 -3.199 -13.491 1.00 14.40 C ATOM 1003 OE1 GLN A 70 5.756 -2.491 -14.412 1.00 1.41 O ATOM 1004 NE2 GLN A 70 5.242 -4.518 -13.595 1.00 40.23 N ATOM 0 H GLN A 70 5.465 -2.719 -9.589 1.00 0.31 H new ATOM 0 HA GLN A 70 6.189 0.063 -10.313 1.00 14.11 H new ATOM 0 HB2 GLN A 70 5.102 -0.487 -12.523 1.00 12.24 H new ATOM 0 HB3 GLN A 70 6.632 -1.291 -12.232 1.00 12.24 H new ATOM 0 HG2 GLN A 70 5.192 -3.276 -11.360 1.00 74.12 H new ATOM 0 HG3 GLN A 70 3.851 -2.470 -12.149 1.00 74.12 H new ATOM 0 HE21 GLN A 70 4.898 -5.066 -12.806 1.00 40.23 H new ATOM 0 HE22 GLN A 70 5.505 -4.984 -14.463 1.00 40.23 H new ATOM 1011 N LYS A 71 3.996 0.456 -9.070 1.00 51.05 N ATOM 1012 CA LYS A 71 2.691 0.915 -8.611 1.00 55.14 C ATOM 1013 C LYS A 71 2.307 2.227 -9.286 1.00 31.04 C ATOM 1014 O LYS A 71 1.516 3.002 -8.750 1.00 32.44 O ATOM 1015 CB LYS A 71 2.696 1.093 -7.091 1.00 34.32 C ATOM 1016 CG LYS A 71 2.719 -0.219 -6.325 1.00 63.33 C ATOM 1017 CD LYS A 71 2.301 -0.026 -4.876 1.00 72.11 C ATOM 1018 CE LYS A 71 3.354 0.738 -4.088 1.00 3.14 C ATOM 1019 NZ LYS A 71 3.005 2.179 -3.948 1.00 43.51 N ATOM 0 H LYS A 71 4.785 0.858 -8.564 1.00 51.05 H new ATOM 0 HA LYS A 71 1.953 0.159 -8.880 1.00 55.14 H new ATOM 0 HB2 LYS A 71 3.565 1.686 -6.806 1.00 34.32 H new ATOM 0 HB3 LYS A 71 1.813 1.660 -6.797 1.00 34.32 H new ATOM 0 HG2 LYS A 71 2.051 -0.934 -6.805 1.00 63.33 H new ATOM 0 HG3 LYS A 71 3.721 -0.645 -6.362 1.00 63.33 H new ATOM 0 HD2 LYS A 71 1.355 0.513 -4.838 1.00 72.11 H new ATOM 0 HD3 LYS A 71 2.133 -0.998 -4.412 1.00 72.11 H new ATOM 0 HE2 LYS A 71 3.462 0.293 -3.099 1.00 3.14 H new ATOM 0 HE3 LYS A 71 4.319 0.645 -4.586 1.00 3.14 H new ATOM 0 HZ1 LYS A 71 3.779 2.678 -3.464 1.00 43.51 H new ATOM 0 HZ2 LYS A 71 2.861 2.594 -4.890 1.00 43.51 H new ATOM 0 HZ3 LYS A 71 2.132 2.272 -3.391 1.00 43.51 H new ATOM 1029 N GLU A 72 2.871 2.468 -10.465 1.00 34.41 N ATOM 1030 CA GLU A 72 2.586 3.687 -11.213 1.00 73.23 C ATOM 1031 C GLU A 72 1.539 3.432 -12.292 1.00 54.33 C ATOM 1032 O GLU A 72 1.584 4.024 -13.370 1.00 41.00 O ATOM 1033 CB GLU A 72 3.866 4.233 -11.848 1.00 25.12 C ATOM 1034 CG GLU A 72 5.084 4.134 -10.946 1.00 72.02 C ATOM 1035 CD GLU A 72 6.058 5.278 -11.151 1.00 33.12 C ATOM 1036 OE1 GLU A 72 5.610 6.443 -11.169 1.00 73.41 O ATOM 1037 OE2 GLU A 72 7.268 5.008 -11.294 1.00 45.23 O ATOM 0 H GLU A 72 3.528 1.836 -10.923 1.00 34.41 H new ATOM 0 HA GLU A 72 2.191 4.426 -10.516 1.00 73.23 H new ATOM 0 HB2 GLU A 72 4.064 3.689 -12.772 1.00 25.12 H new ATOM 0 HB3 GLU A 72 3.710 5.277 -12.120 1.00 25.12 H new ATOM 0 HG2 GLU A 72 4.760 4.120 -9.905 1.00 72.02 H new ATOM 0 HG3 GLU A 72 5.594 3.189 -11.134 1.00 72.02 H new ATOM 1042 N SER A 73 0.596 2.542 -11.995 1.00 35.43 N ATOM 1043 CA SER A 73 -0.461 2.204 -12.940 1.00 12.34 C ATOM 1044 C SER A 73 -1.830 2.257 -12.267 1.00 70.11 C ATOM 1045 O SER A 73 -2.558 3.242 -12.391 1.00 54.32 O ATOM 1046 CB SER A 73 -0.222 0.811 -13.527 1.00 2.25 C ATOM 1047 OG SER A 73 0.657 0.869 -14.637 1.00 20.52 O ATOM 0 H SER A 73 0.543 2.043 -11.107 1.00 35.43 H new ATOM 0 HA SER A 73 -0.443 2.938 -13.745 1.00 12.34 H new ATOM 0 HB2 SER A 73 0.196 0.157 -12.762 1.00 2.25 H new ATOM 0 HB3 SER A 73 -1.172 0.374 -13.834 1.00 2.25 H new ATOM 0 HG SER A 73 0.795 -0.034 -14.993 1.00 20.52 H new ATOM 1052 N THR A 74 -2.173 1.189 -11.555 1.00 53.14 N ATOM 1053 CA THR A 74 -3.454 1.110 -10.862 1.00 24.12 C ATOM 1054 C THR A 74 -3.284 0.556 -9.453 1.00 13.40 C ATOM 1055 O THR A 74 -2.985 -0.625 -9.272 1.00 74.12 O ATOM 1056 CB THR A 74 -4.455 0.229 -11.632 1.00 32.04 C ATOM 1057 OG1 THR A 74 -4.105 0.187 -13.019 1.00 1.35 O ATOM 1058 CG2 THR A 74 -5.872 0.760 -11.478 1.00 34.15 C ATOM 0 H THR A 74 -1.582 0.366 -11.443 1.00 53.14 H new ATOM 0 HA THR A 74 -3.845 2.126 -10.804 1.00 24.12 H new ATOM 0 HB THR A 74 -4.413 -0.778 -11.217 1.00 32.04 H new ATOM 0 HG1 THR A 74 -4.746 -0.377 -13.501 1.00 1.35 H new ATOM 0 HG21 THR A 74 -6.562 0.122 -12.030 1.00 34.15 H new ATOM 0 HG22 THR A 74 -6.147 0.764 -10.423 1.00 34.15 H new ATOM 0 HG23 THR A 74 -5.925 1.776 -11.870 1.00 34.15 H new ATOM 1066 N LEU A 75 -3.479 1.413 -8.457 1.00 64.34 N ATOM 1067 CA LEU A 75 -3.347 1.007 -7.062 1.00 32.10 C ATOM 1068 C LEU A 75 -4.554 1.462 -6.247 1.00 11.32 C ATOM 1069 O LEU A 75 -5.047 2.578 -6.418 1.00 61.32 O ATOM 1070 CB LEU A 75 -2.065 1.585 -6.461 1.00 52.33 C ATOM 1071 CG LEU A 75 -0.916 0.596 -6.254 1.00 1.43 C ATOM 1072 CD1 LEU A 75 -1.142 -0.229 -4.998 1.00 55.34 C ATOM 1073 CD2 LEU A 75 -0.766 -0.308 -7.469 1.00 20.13 C ATOM 0 H LEU A 75 -3.729 2.393 -8.589 1.00 64.34 H new ATOM 0 HA LEU A 75 -3.298 -0.081 -7.029 1.00 32.10 H new ATOM 0 HB2 LEU A 75 -1.714 2.389 -7.108 1.00 52.33 H new ATOM 0 HB3 LEU A 75 -2.309 2.034 -5.498 1.00 52.33 H new ATOM 0 HG LEU A 75 0.008 1.162 -6.130 1.00 1.43 H new ATOM 0 HD11 LEU A 75 -0.315 -0.927 -4.867 1.00 55.34 H new ATOM 0 HD12 LEU A 75 -1.199 0.432 -4.134 1.00 55.34 H new ATOM 0 HD13 LEU A 75 -2.075 -0.785 -5.091 1.00 55.34 H new ATOM 0 HD21 LEU A 75 0.056 -1.005 -7.305 1.00 20.13 H new ATOM 0 HD22 LEU A 75 -1.690 -0.866 -7.624 1.00 20.13 H new ATOM 0 HD23 LEU A 75 -0.557 0.299 -8.350 1.00 20.13 H new ATOM 1084 N HIS A 76 -5.025 0.592 -5.360 1.00 0.55 N ATOM 1085 CA HIS A 76 -6.173 0.905 -4.517 1.00 22.32 C ATOM 1086 C HIS A 76 -5.922 0.473 -3.076 1.00 73.44 C ATOM 1087 O HIS A 76 -5.840 -0.719 -2.778 1.00 50.34 O ATOM 1088 CB HIS A 76 -7.430 0.220 -5.054 1.00 22.41 C ATOM 1089 CG HIS A 76 -8.413 -0.150 -3.987 1.00 32.32 C ATOM 1090 ND1 HIS A 76 -9.018 -1.387 -3.917 1.00 55.42 N ATOM 1091 CD2 HIS A 76 -8.896 0.563 -2.943 1.00 32.51 C ATOM 1092 CE1 HIS A 76 -9.831 -1.419 -2.876 1.00 71.52 C ATOM 1093 NE2 HIS A 76 -9.775 -0.248 -2.267 1.00 3.31 N ATOM 0 H HIS A 76 -4.629 -0.336 -5.206 1.00 0.55 H new ATOM 0 HA HIS A 76 -6.321 1.985 -4.535 1.00 22.32 H new ATOM 0 HB2 HIS A 76 -7.916 0.882 -5.771 1.00 22.41 H new ATOM 0 HB3 HIS A 76 -7.140 -0.680 -5.597 1.00 22.41 H new ATOM 0 HD1 HIS A 76 -8.862 -2.157 -4.567 1.00 55.42 H new ATOM 0 HD2 HIS A 76 -8.638 1.580 -2.689 1.00 32.51 H new ATOM 0 HE1 HIS A 76 -10.438 -2.260 -2.574 1.00 71.52 H new ATOM 1100 N LEU A 77 -5.799 1.450 -2.183 1.00 43.30 N ATOM 1101 CA LEU A 77 -5.556 1.172 -0.772 1.00 43.12 C ATOM 1102 C LEU A 77 -6.561 1.907 0.109 1.00 62.42 C ATOM 1103 O LEU A 77 -6.346 3.061 0.483 1.00 52.23 O ATOM 1104 CB LEU A 77 -4.132 1.577 -0.390 1.00 24.52 C ATOM 1105 CG LEU A 77 -3.669 2.949 -0.883 1.00 44.01 C ATOM 1106 CD1 LEU A 77 -2.647 3.543 0.074 1.00 31.25 C ATOM 1107 CD2 LEU A 77 -3.091 2.844 -2.286 1.00 43.45 C ATOM 0 H LEU A 77 -5.864 2.442 -2.412 1.00 43.30 H new ATOM 0 HA LEU A 77 -5.677 0.101 -0.612 1.00 43.12 H new ATOM 0 HB2 LEU A 77 -4.049 1.557 0.697 1.00 24.52 H new ATOM 0 HB3 LEU A 77 -3.445 0.824 -0.776 1.00 24.52 H new ATOM 0 HG LEU A 77 -4.533 3.613 -0.917 1.00 44.01 H new ATOM 0 HD11 LEU A 77 -2.329 4.519 -0.293 1.00 31.25 H new ATOM 0 HD12 LEU A 77 -3.095 3.655 1.061 1.00 31.25 H new ATOM 0 HD13 LEU A 77 -1.783 2.881 0.140 1.00 31.25 H new ATOM 0 HD21 LEU A 77 -2.767 3.829 -2.621 1.00 43.45 H new ATOM 0 HD22 LEU A 77 -2.239 2.165 -2.278 1.00 43.45 H new ATOM 0 HD23 LEU A 77 -3.853 2.463 -2.966 1.00 43.45 H new ATOM 1118 N VAL A 78 -7.657 1.232 0.439 1.00 61.11 N ATOM 1119 CA VAL A 78 -8.693 1.820 1.279 1.00 61.43 C ATOM 1120 C VAL A 78 -9.395 0.755 2.114 1.00 54.24 C ATOM 1121 O VAL A 78 -9.968 -0.193 1.576 1.00 64.11 O ATOM 1122 CB VAL A 78 -9.741 2.569 0.435 1.00 35.40 C ATOM 1123 CG1 VAL A 78 -10.804 3.188 1.331 1.00 34.43 C ATOM 1124 CG2 VAL A 78 -9.073 3.630 -0.424 1.00 1.04 C ATOM 0 H VAL A 78 -7.850 0.277 0.137 1.00 61.11 H new ATOM 0 HA VAL A 78 -8.198 2.529 1.943 1.00 61.43 H new ATOM 0 HB VAL A 78 -10.229 1.853 -0.227 1.00 35.40 H new ATOM 0 HG11 VAL A 78 -11.536 3.713 0.718 1.00 34.43 H new ATOM 0 HG12 VAL A 78 -11.303 2.403 1.899 1.00 34.43 H new ATOM 0 HG13 VAL A 78 -10.335 3.892 2.019 1.00 34.43 H new ATOM 0 HG21 VAL A 78 -9.828 4.149 -1.014 1.00 1.04 H new ATOM 0 HG22 VAL A 78 -8.558 4.346 0.217 1.00 1.04 H new ATOM 0 HG23 VAL A 78 -8.353 3.157 -1.092 1.00 1.04 H new ATOM 1134 N LEU A 79 -9.346 0.916 3.432 1.00 3.15 N ATOM 1135 CA LEU A 79 -9.979 -0.032 4.343 1.00 43.32 C ATOM 1136 C LEU A 79 -11.143 0.617 5.083 1.00 21.43 C ATOM 1137 O LEU A 79 -10.947 1.514 5.903 1.00 21.41 O ATOM 1138 CB LEU A 79 -8.955 -0.565 5.346 1.00 62.20 C ATOM 1139 CG LEU A 79 -9.372 -1.805 6.137 1.00 15.14 C ATOM 1140 CD1 LEU A 79 -9.766 -2.932 5.194 1.00 23.35 C ATOM 1141 CD2 LEU A 79 -8.250 -2.250 7.064 1.00 11.45 C ATOM 0 H LEU A 79 -8.875 1.694 3.894 1.00 3.15 H new ATOM 0 HA LEU A 79 -10.367 -0.862 3.753 1.00 43.32 H new ATOM 0 HB2 LEU A 79 -8.035 -0.794 4.808 1.00 62.20 H new ATOM 0 HB3 LEU A 79 -8.721 0.231 6.053 1.00 62.20 H new ATOM 0 HG LEU A 79 -10.239 -1.549 6.746 1.00 15.14 H new ATOM 0 HD11 LEU A 79 -10.060 -3.806 5.775 1.00 23.35 H new ATOM 0 HD12 LEU A 79 -10.602 -2.611 4.573 1.00 23.35 H new ATOM 0 HD13 LEU A 79 -8.919 -3.187 4.558 1.00 23.35 H new ATOM 0 HD21 LEU A 79 -8.565 -3.134 7.619 1.00 11.45 H new ATOM 0 HD22 LEU A 79 -7.364 -2.488 6.475 1.00 11.45 H new ATOM 0 HD23 LEU A 79 -8.016 -1.447 7.763 1.00 11.45 H new ATOM 1152 N ARG A 80 -12.355 0.157 4.789 1.00 41.30 N ATOM 1153 CA ARG A 80 -13.551 0.692 5.427 1.00 23.11 C ATOM 1154 C ARG A 80 -13.590 2.214 5.320 1.00 62.31 C ATOM 1155 O ARG A 80 -13.407 2.922 6.311 1.00 53.02 O ATOM 1156 CB ARG A 80 -13.602 0.272 6.897 1.00 0.12 C ATOM 1157 CG ARG A 80 -14.931 0.571 7.571 1.00 20.14 C ATOM 1158 CD ARG A 80 -14.732 1.196 8.942 1.00 74.42 C ATOM 1159 NE ARG A 80 -14.576 0.186 9.986 1.00 30.44 N ATOM 1160 CZ ARG A 80 -14.599 0.462 11.285 1.00 21.34 C ATOM 1161 NH1 ARG A 80 -14.772 1.711 11.699 1.00 51.40 N ATOM 1162 NH2 ARG A 80 -14.449 -0.511 12.175 1.00 4.34 N ATOM 0 H ARG A 80 -12.534 -0.585 4.113 1.00 41.30 H new ATOM 0 HA ARG A 80 -14.420 0.286 4.910 1.00 23.11 H new ATOM 0 HB2 ARG A 80 -13.401 -0.797 6.968 1.00 0.12 H new ATOM 0 HB3 ARG A 80 -12.806 0.782 7.440 1.00 0.12 H new ATOM 0 HG2 ARG A 80 -15.515 1.245 6.944 1.00 20.14 H new ATOM 0 HG3 ARG A 80 -15.505 -0.350 7.670 1.00 20.14 H new ATOM 0 HD2 ARG A 80 -13.851 1.838 8.924 1.00 74.42 H new ATOM 0 HD3 ARG A 80 -15.585 1.832 9.178 1.00 74.42 H new ATOM 0 HE ARG A 80 -14.442 -0.784 9.702 1.00 30.44 H new ATOM 0 HH11 ARG A 80 -14.888 2.462 11.019 1.00 51.40 H new ATOM 0 HH12 ARG A 80 -14.789 1.920 12.697 1.00 51.40 H new ATOM 0 HH21 ARG A 80 -14.316 -1.473 11.862 1.00 4.34 H new ATOM 0 HH22 ARG A 80 -14.467 -0.297 13.172 1.00 4.34 H new ATOM 1173 N LEU A 81 -13.828 2.711 4.111 1.00 41.33 N ATOM 1174 CA LEU A 81 -13.890 4.150 3.874 1.00 53.34 C ATOM 1175 C LEU A 81 -14.836 4.824 4.863 1.00 64.24 C ATOM 1176 O LEU A 81 -15.549 4.155 5.610 1.00 44.05 O ATOM 1177 CB LEU A 81 -14.346 4.430 2.441 1.00 74.22 C ATOM 1178 CG LEU A 81 -15.533 3.606 1.941 1.00 21.35 C ATOM 1179 CD1 LEU A 81 -15.062 2.267 1.398 1.00 53.23 C ATOM 1180 CD2 LEU A 81 -16.549 3.404 3.056 1.00 34.05 C ATOM 0 H LEU A 81 -13.981 2.140 3.280 1.00 41.33 H new ATOM 0 HA LEU A 81 -12.891 4.562 4.018 1.00 53.34 H new ATOM 0 HB2 LEU A 81 -14.604 5.486 2.363 1.00 74.22 H new ATOM 0 HB3 LEU A 81 -13.503 4.258 1.772 1.00 74.22 H new ATOM 0 HG LEU A 81 -16.016 4.153 1.131 1.00 21.35 H new ATOM 0 HD11 LEU A 81 -15.920 1.694 1.047 1.00 53.23 H new ATOM 0 HD12 LEU A 81 -14.373 2.432 0.570 1.00 53.23 H new ATOM 0 HD13 LEU A 81 -14.554 1.712 2.187 1.00 53.23 H new ATOM 0 HD21 LEU A 81 -17.387 2.816 2.682 1.00 34.05 H new ATOM 0 HD22 LEU A 81 -16.078 2.878 3.887 1.00 34.05 H new ATOM 0 HD23 LEU A 81 -16.911 4.373 3.399 1.00 34.05 H new