USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 481 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 136 SER OG : rot 106:sc= -1.19 USER MOD Set 1.2: A 138 ASN : amide:sc= -0.123 K(o=-1.3,f=-2.1) USER MOD Single : A 84 HIS : no HE2:sc= -0.158 X(o=-0.16,f=-0.51) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -4.59! C(o=-4.6!,f=-9.6!) USER MOD Single : A 105 ASN : amide:sc= -4.48! C(o=-4.5!,f=-7.5!) USER MOD Single : A 107 HIS : no HD1:sc= 0.274 K(o=0.27,f=-5.1!) USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.2) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 125:sc= 0.355 USER MOD Single : A 117 SER OG : rot -40:sc= 0.459 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : A 124 MET CE :methyl 164:sc= -2.41! (180deg=-3.57!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -22:sc= 0.988 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 7.005 4.426 -3.039 1.00 0.00 N ATOM 62 CA ASP A 80 7.214 3.054 -3.456 1.00 0.00 C ATOM 63 C ASP A 80 7.623 2.193 -2.261 1.00 0.00 C ATOM 64 O ASP A 80 8.611 2.478 -1.575 1.00 0.00 O ATOM 65 CB ASP A 80 8.291 2.994 -4.552 1.00 0.00 C ATOM 66 CG ASP A 80 9.631 3.549 -4.100 1.00 0.00 C ATOM 67 OD1 ASP A 80 9.733 4.780 -3.874 1.00 0.00 O ATOM 68 OD2 ASP A 80 10.587 2.755 -3.945 1.00 0.00 O ATOM 0 HA ASP A 80 6.280 2.663 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.421 1.959 -4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.947 3.553 -5.422 1.00 0.00 H new ATOM 73 N LEU A 81 6.837 1.183 -1.989 1.00 0.00 N ATOM 74 CA LEU A 81 7.113 0.287 -0.879 1.00 0.00 C ATOM 75 C LEU A 81 7.057 -1.176 -1.327 1.00 0.00 C ATOM 76 O LEU A 81 6.085 -1.611 -1.921 1.00 0.00 O ATOM 77 CB LEU A 81 6.114 0.578 0.268 1.00 0.00 C ATOM 78 CG LEU A 81 6.374 -0.092 1.633 1.00 0.00 C ATOM 79 CD1 LEU A 81 5.780 -1.484 1.687 1.00 0.00 C ATOM 80 CD2 LEU A 81 7.862 -0.132 1.945 1.00 0.00 C ATOM 0 H LEU A 81 5.996 0.954 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 81 8.124 0.462 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.087 1.657 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.121 0.280 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 81 5.880 0.512 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.981 -1.928 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.703 -1.426 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.228 -2.101 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.018 -0.609 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.381 -0.700 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.255 0.884 1.974 1.00 0.00 H new ATOM 92 N ILE A 82 8.124 -1.914 -1.057 1.00 0.00 N ATOM 93 CA ILE A 82 8.192 -3.322 -1.414 1.00 0.00 C ATOM 94 C ILE A 82 7.741 -4.177 -0.235 1.00 0.00 C ATOM 95 O ILE A 82 7.958 -3.812 0.917 1.00 0.00 O ATOM 96 CB ILE A 82 9.626 -3.736 -1.820 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.169 -2.800 -2.892 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.640 -5.168 -2.320 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.534 -3.196 -3.409 1.00 0.00 C ATOM 0 H ILE A 82 8.958 -1.558 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 82 7.532 -3.480 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 82 10.266 -3.665 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.468 -2.772 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.223 -1.790 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.656 -5.445 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.289 -5.832 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.986 -5.257 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.856 -2.484 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.249 -3.196 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.483 -4.194 -3.845 1.00 0.00 H new ATOM 111 N VAL A 83 7.133 -5.310 -0.526 1.00 0.00 N ATOM 112 CA VAL A 83 6.632 -6.207 0.499 1.00 0.00 C ATOM 113 C VAL A 83 6.924 -7.647 0.120 1.00 0.00 C ATOM 114 O VAL A 83 7.293 -7.935 -1.018 1.00 0.00 O ATOM 115 CB VAL A 83 5.107 -6.053 0.696 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.771 -4.751 1.394 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.395 -6.137 -0.642 1.00 0.00 C ATOM 0 H VAL A 83 6.972 -5.636 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 83 7.137 -5.947 1.430 1.00 0.00 H new ATOM 0 HB VAL A 83 4.764 -6.869 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.691 -4.673 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.251 -4.728 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.129 -3.914 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.321 -6.027 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.753 -5.341 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.599 -7.103 -1.103 1.00 0.00 H new ATOM 127 N HIS A 84 6.763 -8.543 1.069 1.00 0.00 N ATOM 128 CA HIS A 84 6.969 -9.961 0.818 1.00 0.00 C ATOM 129 C HIS A 84 5.670 -10.721 0.965 1.00 0.00 C ATOM 130 O HIS A 84 5.242 -11.031 2.076 1.00 0.00 O ATOM 131 CB HIS A 84 8.035 -10.553 1.751 1.00 0.00 C ATOM 132 CG HIS A 84 9.408 -9.984 1.552 1.00 0.00 C ATOM 133 ND1 HIS A 84 10.397 -10.617 0.820 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.959 -8.838 2.008 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.490 -9.879 0.841 1.00 0.00 C ATOM 136 NE2 HIS A 84 11.251 -8.796 1.553 1.00 0.00 N ATOM 0 H HIS A 84 6.489 -8.318 2.026 1.00 0.00 H new ATOM 0 HA HIS A 84 7.327 -10.062 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.731 -10.386 2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.075 -11.632 1.601 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.297 -11.512 0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.471 -8.092 2.618 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.424 -10.122 0.356 1.00 0.00 H new ATOM 145 N GLU A 85 5.042 -11.020 -0.155 1.00 0.00 N ATOM 146 CA GLU A 85 3.785 -11.753 -0.153 1.00 0.00 C ATOM 147 C GLU A 85 4.080 -13.241 -0.154 1.00 0.00 C ATOM 148 O GLU A 85 4.398 -13.820 -1.200 1.00 0.00 O ATOM 149 CB GLU A 85 2.944 -11.402 -1.380 1.00 0.00 C ATOM 150 CG GLU A 85 1.465 -11.577 -1.169 1.00 0.00 C ATOM 151 CD GLU A 85 0.850 -10.385 -0.489 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.243 -10.069 0.651 1.00 0.00 O ATOM 153 OE2 GLU A 85 -0.017 -9.736 -1.105 1.00 0.00 O ATOM 0 H GLU A 85 5.381 -10.767 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 85 3.222 -11.479 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.142 -10.368 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.259 -12.026 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.978 -11.738 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.287 -12.469 -0.569 1.00 0.00 H new ATOM 160 N GLY A 86 4.028 -13.848 1.021 1.00 0.00 N ATOM 161 CA GLY A 86 4.343 -15.262 1.147 1.00 0.00 C ATOM 162 C GLY A 86 5.835 -15.504 1.036 1.00 0.00 C ATOM 163 O GLY A 86 6.302 -16.645 1.089 1.00 0.00 O ATOM 0 H GLY A 86 3.773 -13.388 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.982 -15.633 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.822 -15.824 0.371 1.00 0.00 H new ATOM 167 N GLY A 87 6.572 -14.421 0.887 1.00 0.00 N ATOM 168 CA GLY A 87 7.999 -14.496 0.739 1.00 0.00 C ATOM 169 C GLY A 87 8.455 -13.832 -0.536 1.00 0.00 C ATOM 170 O GLY A 87 9.595 -13.375 -0.635 1.00 0.00 O ATOM 0 H GLY A 87 6.195 -13.473 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.481 -14.018 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.312 -15.540 0.740 1.00 0.00 H new ATOM 174 N LYS A 88 7.549 -13.731 -1.500 1.00 0.00 N ATOM 175 CA LYS A 88 7.866 -13.148 -2.795 1.00 0.00 C ATOM 176 C LYS A 88 7.722 -11.640 -2.740 1.00 0.00 C ATOM 177 O LYS A 88 6.782 -11.126 -2.150 1.00 0.00 O ATOM 178 CB LYS A 88 6.950 -13.725 -3.880 1.00 0.00 C ATOM 179 CG LYS A 88 7.129 -15.218 -4.120 1.00 0.00 C ATOM 180 CD LYS A 88 8.546 -15.553 -4.574 1.00 0.00 C ATOM 181 CE LYS A 88 8.869 -14.919 -5.918 1.00 0.00 C ATOM 182 NZ LYS A 88 10.278 -15.157 -6.315 1.00 0.00 N ATOM 0 H LYS A 88 6.584 -14.048 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 88 8.898 -13.395 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.913 -13.535 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.133 -13.194 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.903 -15.763 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.417 -15.553 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.260 -15.206 -3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.660 -16.635 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.203 -15.324 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.682 -13.846 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.459 -14.710 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.914 -14.749 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.450 -16.180 -6.387 1.00 0.00 H new ATOM 196 N THR A 89 8.652 -10.943 -3.340 1.00 0.00 N ATOM 197 CA THR A 89 8.641 -9.504 -3.329 1.00 0.00 C ATOM 198 C THR A 89 7.626 -8.916 -4.298 1.00 0.00 C ATOM 199 O THR A 89 7.593 -9.263 -5.483 1.00 0.00 O ATOM 200 CB THR A 89 10.023 -8.953 -3.654 1.00 0.00 C ATOM 201 OG1 THR A 89 10.847 -10.007 -4.172 1.00 0.00 O ATOM 202 CG2 THR A 89 10.658 -8.355 -2.414 1.00 0.00 C ATOM 0 H THR A 89 9.435 -11.355 -3.848 1.00 0.00 H new ATOM 0 HA THR A 89 8.350 -9.208 -2.321 1.00 0.00 H new ATOM 0 HB THR A 89 9.927 -8.168 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.736 -9.653 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.645 -7.965 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.032 -7.545 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.754 -9.124 -1.647 1.00 0.00 H new ATOM 210 N TYR A 90 6.802 -8.032 -3.782 1.00 0.00 N ATOM 211 CA TYR A 90 5.826 -7.317 -4.569 1.00 0.00 C ATOM 212 C TYR A 90 6.007 -5.836 -4.337 1.00 0.00 C ATOM 213 O TYR A 90 6.427 -5.422 -3.257 1.00 0.00 O ATOM 214 CB TYR A 90 4.398 -7.740 -4.206 1.00 0.00 C ATOM 215 CG TYR A 90 4.002 -9.093 -4.746 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.514 -10.256 -4.201 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.113 -9.205 -5.804 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.155 -11.492 -4.689 1.00 0.00 C ATOM 219 CE2 TYR A 90 2.746 -10.441 -6.299 1.00 0.00 C ATOM 220 CZ TYR A 90 3.271 -11.581 -5.737 1.00 0.00 C ATOM 221 OH TYR A 90 2.911 -12.818 -6.225 1.00 0.00 O ATOM 0 H TYR A 90 6.792 -7.787 -2.792 1.00 0.00 H new ATOM 0 HA TYR A 90 5.978 -7.553 -5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.298 -7.750 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.701 -6.992 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.209 -10.193 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.701 -8.311 -6.248 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.567 -12.389 -4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.051 -10.512 -7.123 1.00 0.00 H new ATOM 0 HH TYR A 90 2.278 -12.706 -6.965 1.00 0.00 H new ATOM 231 N HIS A 91 5.714 -5.050 -5.334 1.00 0.00 N ATOM 232 CA HIS A 91 5.887 -3.613 -5.243 1.00 0.00 C ATOM 233 C HIS A 91 4.561 -2.933 -4.991 1.00 0.00 C ATOM 234 O HIS A 91 3.543 -3.312 -5.560 1.00 0.00 O ATOM 235 CB HIS A 91 6.533 -3.064 -6.523 1.00 0.00 C ATOM 236 CG HIS A 91 7.920 -3.585 -6.773 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.018 -2.771 -6.909 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.379 -4.852 -6.911 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.090 -3.511 -7.117 1.00 0.00 C ATOM 240 NE2 HIS A 91 9.730 -4.778 -7.121 1.00 0.00 N ATOM 0 H HIS A 91 5.351 -5.376 -6.230 1.00 0.00 H new ATOM 0 HA HIS A 91 6.549 -3.402 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.901 -3.316 -7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.569 -1.976 -6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.788 -5.755 -6.864 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.094 -3.140 -7.260 1.00 0.00 H new ATOM 0 HE2 HIS A 91 10.354 -5.573 -7.258 1.00 0.00 H new ATOM 249 N VAL A 92 4.570 -1.937 -4.131 1.00 0.00 N ATOM 250 CA VAL A 92 3.374 -1.195 -3.818 1.00 0.00 C ATOM 251 C VAL A 92 3.596 0.271 -4.120 1.00 0.00 C ATOM 252 O VAL A 92 4.478 0.916 -3.543 1.00 0.00 O ATOM 253 CB VAL A 92 2.960 -1.348 -2.334 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.673 -0.584 -2.052 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.806 -2.815 -1.960 1.00 0.00 C ATOM 0 H VAL A 92 5.403 -1.622 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 92 2.570 -1.598 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 92 3.753 -0.923 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.400 -0.705 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.823 0.474 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.873 -0.973 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.515 -2.895 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.039 -3.271 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.754 -3.331 -2.113 1.00 0.00 H new ATOM 265 N VAL A 93 2.817 0.774 -5.033 1.00 0.00 N ATOM 266 CA VAL A 93 2.886 2.161 -5.435 1.00 0.00 C ATOM 267 C VAL A 93 1.498 2.765 -5.376 1.00 0.00 C ATOM 268 O VAL A 93 0.538 2.171 -5.872 1.00 0.00 O ATOM 269 CB VAL A 93 3.454 2.317 -6.875 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.577 3.787 -7.255 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.803 1.617 -7.006 1.00 0.00 C ATOM 0 H VAL A 93 2.107 0.234 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 93 3.559 2.678 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 93 2.754 1.844 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.976 3.869 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.594 4.257 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.249 4.288 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.180 1.740 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.510 2.055 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.685 0.555 -6.789 1.00 0.00 H new ATOM 281 N CYS A 94 1.385 3.934 -4.782 1.00 0.00 N ATOM 282 CA CYS A 94 0.100 4.584 -4.647 1.00 0.00 C ATOM 283 C CYS A 94 0.041 5.810 -5.535 1.00 0.00 C ATOM 284 O CYS A 94 0.843 6.737 -5.385 1.00 0.00 O ATOM 285 CB CYS A 94 -0.159 4.973 -3.191 1.00 0.00 C ATOM 286 SG CYS A 94 -0.173 3.568 -2.030 1.00 0.00 S ATOM 0 H CYS A 94 2.168 4.453 -4.385 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.675 3.884 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.606 5.682 -2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.117 5.489 -3.130 1.00 0.00 H new ATOM 291 N HIS A 95 -0.887 5.810 -6.470 1.00 0.00 N ATOM 292 CA HIS A 95 -1.039 6.928 -7.386 1.00 0.00 C ATOM 293 C HIS A 95 -2.224 7.792 -6.997 1.00 0.00 C ATOM 294 O HIS A 95 -2.342 8.930 -7.449 1.00 0.00 O ATOM 295 CB HIS A 95 -1.197 6.441 -8.831 1.00 0.00 C ATOM 296 CG HIS A 95 0.034 5.804 -9.401 1.00 0.00 C ATOM 297 ND1 HIS A 95 0.110 4.470 -9.730 1.00 0.00 N ATOM 298 CD2 HIS A 95 1.239 6.333 -9.716 1.00 0.00 C ATOM 299 CE1 HIS A 95 1.301 4.203 -10.217 1.00 0.00 C ATOM 300 NE2 HIS A 95 2.010 5.315 -10.223 1.00 0.00 N ATOM 0 H HIS A 95 -1.549 5.049 -6.618 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.133 7.530 -7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.017 5.724 -8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.480 7.286 -9.459 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.539 7.363 -9.592 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.642 3.236 -10.555 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.972 5.405 -10.550 1.00 0.00 H new ATOM 309 N GLU A 96 -3.093 7.259 -6.154 1.00 0.00 N ATOM 310 CA GLU A 96 -4.272 7.986 -5.723 1.00 0.00 C ATOM 311 C GLU A 96 -4.422 7.936 -4.214 1.00 0.00 C ATOM 312 O GLU A 96 -4.080 6.939 -3.575 1.00 0.00 O ATOM 313 CB GLU A 96 -5.533 7.427 -6.397 1.00 0.00 C ATOM 314 CG GLU A 96 -5.798 5.957 -6.095 1.00 0.00 C ATOM 315 CD GLU A 96 -7.055 5.443 -6.753 1.00 0.00 C ATOM 316 OE1 GLU A 96 -6.980 5.006 -7.917 1.00 0.00 O ATOM 317 OE2 GLU A 96 -8.131 5.476 -6.113 1.00 0.00 O ATOM 0 H GLU A 96 -3.003 6.325 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.147 9.027 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.394 8.014 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.443 7.555 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.948 5.363 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.876 5.821 -5.016 1.00 0.00 H new ATOM 324 N GLU A 97 -4.904 9.022 -3.646 1.00 0.00 N ATOM 325 CA GLU A 97 -5.147 9.091 -2.223 1.00 0.00 C ATOM 326 C GLU A 97 -6.340 8.223 -1.848 1.00 0.00 C ATOM 327 O GLU A 97 -7.478 8.500 -2.245 1.00 0.00 O ATOM 328 CB GLU A 97 -5.392 10.539 -1.775 1.00 0.00 C ATOM 329 CG GLU A 97 -4.228 11.494 -2.034 1.00 0.00 C ATOM 330 CD GLU A 97 -4.152 11.963 -3.472 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.927 12.865 -3.846 1.00 0.00 O ATOM 332 OE2 GLU A 97 -3.321 11.442 -4.233 1.00 0.00 O ATOM 0 H GLU A 97 -5.136 9.875 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.259 8.719 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.276 10.919 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.616 10.542 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.325 12.361 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.294 10.998 -1.770 1.00 0.00 H new ATOM 339 N GLY A 98 -6.075 7.166 -1.108 1.00 0.00 N ATOM 340 CA GLY A 98 -7.121 6.277 -0.682 1.00 0.00 C ATOM 341 C GLY A 98 -6.644 4.846 -0.591 1.00 0.00 C ATOM 342 O GLY A 98 -5.538 4.534 -1.027 1.00 0.00 O ATOM 0 H GLY A 98 -5.141 6.907 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.495 6.597 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.955 6.338 -1.381 1.00 0.00 H new ATOM 346 N PRO A 99 -7.440 3.964 0.007 1.00 0.00 N ATOM 347 CA PRO A 99 -7.102 2.551 0.122 1.00 0.00 C ATOM 348 C PRO A 99 -7.358 1.774 -1.178 1.00 0.00 C ATOM 349 O PRO A 99 -8.392 1.948 -1.829 1.00 0.00 O ATOM 350 CB PRO A 99 -8.037 2.060 1.225 1.00 0.00 C ATOM 351 CG PRO A 99 -9.231 2.947 1.129 1.00 0.00 C ATOM 352 CD PRO A 99 -8.727 4.282 0.653 1.00 0.00 C ATOM 0 HA PRO A 99 -6.043 2.402 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.307 1.014 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.566 2.134 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.965 2.538 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.725 3.040 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.422 4.745 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.597 4.979 1.481 1.00 0.00 H new ATOM 360 N ILE A 100 -6.411 0.928 -1.539 1.00 0.00 N ATOM 361 CA ILE A 100 -6.515 0.082 -2.725 1.00 0.00 C ATOM 362 C ILE A 100 -5.998 -1.326 -2.407 1.00 0.00 C ATOM 363 O ILE A 100 -5.252 -1.499 -1.452 1.00 0.00 O ATOM 364 CB ILE A 100 -5.758 0.690 -3.957 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.466 1.421 -3.534 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.673 1.624 -4.748 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.335 0.505 -3.110 1.00 0.00 C ATOM 0 H ILE A 100 -5.542 0.804 -1.019 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.568 0.025 -3.002 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.467 -0.139 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.124 2.038 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.699 2.096 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.127 2.034 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.539 1.067 -5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.007 2.438 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.468 1.103 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.653 -0.095 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.070 -0.153 -3.938 1.00 0.00 H new ATOM 379 N PRO A 101 -6.407 -2.354 -3.186 1.00 0.00 N ATOM 380 CA PRO A 101 -6.005 -3.754 -2.936 1.00 0.00 C ATOM 381 C PRO A 101 -4.494 -3.972 -3.040 1.00 0.00 C ATOM 382 O PRO A 101 -3.762 -3.132 -3.563 1.00 0.00 O ATOM 383 CB PRO A 101 -6.731 -4.540 -4.035 1.00 0.00 C ATOM 384 CG PRO A 101 -7.014 -3.531 -5.087 1.00 0.00 C ATOM 385 CD PRO A 101 -7.279 -2.249 -4.357 1.00 0.00 C ATOM 0 HA PRO A 101 -6.262 -4.065 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.112 -5.351 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.650 -4.991 -3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.169 -3.427 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.874 -3.824 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.034 -1.379 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.327 -2.155 -4.073 1.00 0.00 H new ATOM 393 N HIS A 102 -4.043 -5.114 -2.554 1.00 0.00 N ATOM 394 CA HIS A 102 -2.632 -5.443 -2.544 1.00 0.00 C ATOM 395 C HIS A 102 -2.264 -6.217 -3.810 1.00 0.00 C ATOM 396 O HIS A 102 -2.964 -7.150 -4.187 1.00 0.00 O ATOM 397 CB HIS A 102 -2.309 -6.274 -1.295 1.00 0.00 C ATOM 398 CG HIS A 102 -0.886 -6.197 -0.859 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.007 -7.236 -0.967 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.194 -5.188 -0.299 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.162 -6.875 -0.506 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.081 -5.633 -0.091 1.00 0.00 N ATOM 0 H HIS A 102 -4.643 -5.837 -2.157 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.047 -4.524 -2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.946 -5.941 -0.476 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.561 -7.316 -1.491 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.229 -8.155 -1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.576 -4.207 -0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.046 -7.495 -0.472 1.00 0.00 H new ATOM 411 N PRO A 103 -1.151 -5.837 -4.478 1.00 0.00 N ATOM 412 CA PRO A 103 -0.703 -6.482 -5.730 1.00 0.00 C ATOM 413 C PRO A 103 -0.464 -7.986 -5.574 1.00 0.00 C ATOM 414 O PRO A 103 -0.652 -8.752 -6.520 1.00 0.00 O ATOM 415 CB PRO A 103 0.617 -5.763 -6.058 1.00 0.00 C ATOM 416 CG PRO A 103 1.021 -5.099 -4.785 1.00 0.00 C ATOM 417 CD PRO A 103 -0.254 -4.744 -4.085 1.00 0.00 C ATOM 0 HA PRO A 103 -1.458 -6.398 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.377 -6.468 -6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.482 -5.035 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.630 -5.765 -4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.620 -4.210 -4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.123 -4.696 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.634 -3.773 -4.403 1.00 0.00 H new ATOM 425 N GLY A 104 -0.042 -8.397 -4.382 1.00 0.00 N ATOM 426 CA GLY A 104 0.200 -9.802 -4.126 1.00 0.00 C ATOM 427 C GLY A 104 -1.086 -10.593 -4.077 1.00 0.00 C ATOM 428 O GLY A 104 -1.315 -11.473 -4.911 1.00 0.00 O ATOM 0 H GLY A 104 0.136 -7.780 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.846 -10.207 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.731 -9.913 -3.181 1.00 0.00 H new ATOM 432 N ASN A 105 -1.925 -10.282 -3.109 1.00 0.00 N ATOM 433 CA ASN A 105 -3.216 -10.921 -2.994 1.00 0.00 C ATOM 434 C ASN A 105 -4.282 -9.913 -2.604 1.00 0.00 C ATOM 435 O ASN A 105 -4.099 -9.119 -1.676 1.00 0.00 O ATOM 436 CB ASN A 105 -3.197 -12.107 -2.006 1.00 0.00 C ATOM 437 CG ASN A 105 -3.037 -11.713 -0.549 1.00 0.00 C ATOM 438 OD1 ASN A 105 -4.010 -11.413 0.133 1.00 0.00 O ATOM 439 ND2 ASN A 105 -1.829 -11.755 -0.059 1.00 0.00 N ATOM 0 H ASN A 105 -1.732 -9.587 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.460 -11.327 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.124 -12.670 -2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.382 -12.777 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.669 -11.534 0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.044 -12.009 -0.659 1.00 0.00 H new ATOM 446 N VAL A 106 -5.377 -9.920 -3.350 1.00 0.00 N ATOM 447 CA VAL A 106 -6.520 -9.036 -3.107 1.00 0.00 C ATOM 448 C VAL A 106 -7.138 -9.203 -1.707 1.00 0.00 C ATOM 449 O VAL A 106 -7.980 -8.402 -1.303 1.00 0.00 O ATOM 450 CB VAL A 106 -7.609 -9.218 -4.184 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.081 -8.780 -5.542 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.082 -10.666 -4.236 1.00 0.00 C ATOM 0 H VAL A 106 -5.503 -10.542 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.120 -8.023 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.462 -8.593 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.858 -8.913 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.793 -7.730 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.213 -9.383 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.850 -10.771 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.240 -11.315 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.495 -10.949 -3.268 1.00 0.00 H new ATOM 462 N HIS A 107 -6.728 -10.244 -0.974 1.00 0.00 N ATOM 463 CA HIS A 107 -7.225 -10.457 0.396 1.00 0.00 C ATOM 464 C HIS A 107 -6.644 -9.410 1.334 1.00 0.00 C ATOM 465 O HIS A 107 -7.027 -9.318 2.501 1.00 0.00 O ATOM 466 CB HIS A 107 -6.887 -11.861 0.913 1.00 0.00 C ATOM 467 CG HIS A 107 -7.585 -12.959 0.189 1.00 0.00 C ATOM 468 ND1 HIS A 107 -6.923 -14.021 -0.387 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.896 -13.169 -0.045 1.00 0.00 C ATOM 470 CE1 HIS A 107 -7.799 -14.830 -0.942 1.00 0.00 C ATOM 471 NE2 HIS A 107 -9.002 -14.337 -0.749 1.00 0.00 N ATOM 0 H HIS A 107 -6.062 -10.946 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.310 -10.362 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.811 -12.016 0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.142 -11.918 1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.712 -12.533 0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.569 -15.745 -1.468 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.873 -14.757 -1.072 1.00 0.00 H new ATOM 480 N LYS A 108 -5.723 -8.619 0.816 1.00 0.00 N ATOM 481 CA LYS A 108 -5.114 -7.547 1.572 1.00 0.00 C ATOM 482 C LYS A 108 -5.153 -6.271 0.772 1.00 0.00 C ATOM 483 O LYS A 108 -5.303 -6.303 -0.448 1.00 0.00 O ATOM 484 CB LYS A 108 -3.673 -7.872 1.954 1.00 0.00 C ATOM 485 CG LYS A 108 -3.545 -9.025 2.928 1.00 0.00 C ATOM 486 CD LYS A 108 -2.168 -9.075 3.551 1.00 0.00 C ATOM 487 CE LYS A 108 -1.091 -9.278 2.504 1.00 0.00 C ATOM 488 NZ LYS A 108 0.154 -9.829 3.080 1.00 0.00 N ATOM 0 H LYS A 108 -5.378 -8.704 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.684 -7.424 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.112 -8.108 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.214 -6.986 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.296 -8.926 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.746 -9.963 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.979 -8.149 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.126 -9.885 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.461 -9.952 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.874 -8.326 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.769 -10.171 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.647 -9.086 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.078 -10.618 3.716 1.00 0.00 H new ATOM 502 N TYR A 109 -5.039 -5.158 1.451 1.00 0.00 N ATOM 503 CA TYR A 109 -5.055 -3.869 0.795 1.00 0.00 C ATOM 504 C TYR A 109 -4.093 -2.908 1.474 1.00 0.00 C ATOM 505 O TYR A 109 -3.519 -3.228 2.510 1.00 0.00 O ATOM 506 CB TYR A 109 -6.472 -3.293 0.765 1.00 0.00 C ATOM 507 CG TYR A 109 -6.981 -2.760 2.087 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.280 -3.611 3.145 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.175 -1.403 2.265 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.756 -3.116 4.342 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.651 -0.898 3.455 1.00 0.00 C ATOM 512 CZ TYR A 109 -7.941 -1.761 4.494 1.00 0.00 C ATOM 513 OH TYR A 109 -8.409 -1.263 5.690 1.00 0.00 O ATOM 0 H TYR A 109 -4.933 -5.116 2.465 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.725 -4.007 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.504 -2.488 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.155 -4.069 0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.138 -4.675 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.949 -0.725 1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -7.982 -3.789 5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.796 0.165 3.575 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.482 -0.287 5.632 1.00 0.00 H new ATOM 523 N ILE A 110 -3.910 -1.748 0.893 1.00 0.00 N ATOM 524 CA ILE A 110 -3.052 -0.736 1.470 1.00 0.00 C ATOM 525 C ILE A 110 -3.802 0.573 1.547 1.00 0.00 C ATOM 526 O ILE A 110 -4.571 0.907 0.646 1.00 0.00 O ATOM 527 CB ILE A 110 -1.752 -0.494 0.642 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.142 -1.803 0.143 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.728 0.273 1.465 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.642 -2.220 -1.222 1.00 0.00 C ATOM 0 H ILE A 110 -4.347 -1.477 0.012 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.764 -1.098 2.457 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.031 0.099 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.058 -1.699 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.363 -2.594 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.172 0.432 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.145 1.237 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.476 -0.299 2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.167 -3.157 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.723 -2.356 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.397 -1.448 -1.951 1.00 0.00 H new ATOM 542 N ILE A 111 -3.600 1.301 2.616 1.00 0.00 N ATOM 543 CA ILE A 111 -4.193 2.604 2.747 1.00 0.00 C ATOM 544 C ILE A 111 -3.160 3.620 2.347 1.00 0.00 C ATOM 545 O ILE A 111 -2.100 3.707 2.975 1.00 0.00 O ATOM 546 CB ILE A 111 -4.675 2.921 4.193 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.709 1.899 4.677 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.261 4.328 4.259 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.107 0.624 5.227 1.00 0.00 C ATOM 0 H ILE A 111 -3.028 1.011 3.409 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.076 2.634 2.108 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.809 2.861 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.325 2.360 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.371 1.648 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.594 4.536 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.500 5.053 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.109 4.401 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.905 -0.046 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.514 0.138 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.468 0.861 6.078 1.00 0.00 H new ATOM 561 N CYS A 112 -3.433 4.364 1.304 1.00 0.00 N ATOM 562 CA CYS A 112 -2.491 5.347 0.846 1.00 0.00 C ATOM 563 C CYS A 112 -2.966 6.732 1.247 1.00 0.00 C ATOM 564 O CYS A 112 -4.061 7.156 0.879 1.00 0.00 O ATOM 565 CB CYS A 112 -2.334 5.254 -0.676 1.00 0.00 C ATOM 566 SG CYS A 112 -2.067 3.553 -1.295 1.00 0.00 S ATOM 0 H CYS A 112 -4.295 4.307 0.761 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.520 5.160 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.226 5.666 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.494 5.877 -0.983 1.00 0.00 H new ATOM 571 N SER A 113 -2.149 7.425 1.998 1.00 0.00 N ATOM 572 CA SER A 113 -2.470 8.757 2.446 1.00 0.00 C ATOM 573 C SER A 113 -1.389 9.721 1.998 1.00 0.00 C ATOM 574 O SER A 113 -0.203 9.443 2.144 1.00 0.00 O ATOM 575 CB SER A 113 -2.604 8.783 3.973 1.00 0.00 C ATOM 576 OG SER A 113 -3.577 7.847 4.424 1.00 0.00 O ATOM 0 H SER A 113 -1.243 7.083 2.316 1.00 0.00 H new ATOM 0 HA SER A 113 -3.421 9.061 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.640 8.556 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.882 9.785 4.299 1.00 0.00 H new ATOM 0 HG SER A 113 -3.639 7.885 5.401 1.00 0.00 H new ATOM 582 N LYS A 114 -1.788 10.838 1.452 1.00 0.00 N ATOM 583 CA LYS A 114 -0.831 11.808 0.992 1.00 0.00 C ATOM 584 C LYS A 114 -0.781 12.982 1.942 1.00 0.00 C ATOM 585 O LYS A 114 -1.741 13.733 2.071 1.00 0.00 O ATOM 586 CB LYS A 114 -1.150 12.270 -0.427 1.00 0.00 C ATOM 587 CG LYS A 114 -0.101 13.201 -1.013 1.00 0.00 C ATOM 588 CD LYS A 114 -0.312 13.402 -2.500 1.00 0.00 C ATOM 589 CE LYS A 114 0.804 14.232 -3.106 1.00 0.00 C ATOM 590 NZ LYS A 114 0.764 14.219 -4.590 1.00 0.00 N ATOM 0 H LYS A 114 -2.765 11.098 1.315 1.00 0.00 H new ATOM 0 HA LYS A 114 0.151 11.335 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.249 11.396 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.115 12.777 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.142 14.164 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.893 12.789 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.359 12.433 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.269 13.895 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.726 15.259 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.766 13.849 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.543 14.798 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.864 13.242 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.144 14.608 -4.916 1.00 0.00 H new ATOM 604 N SER A 115 0.330 13.118 2.619 1.00 0.00 N ATOM 605 CA SER A 115 0.528 14.198 3.544 1.00 0.00 C ATOM 606 C SER A 115 1.404 15.266 2.914 1.00 0.00 C ATOM 607 O SER A 115 2.607 15.325 3.153 1.00 0.00 O ATOM 608 CB SER A 115 1.152 13.675 4.830 1.00 0.00 C ATOM 609 OG SER A 115 0.287 12.740 5.458 1.00 0.00 O ATOM 0 H SER A 115 1.123 12.481 2.543 1.00 0.00 H new ATOM 0 HA SER A 115 -0.436 14.644 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.110 13.203 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.353 14.505 5.507 1.00 0.00 H new ATOM 0 HG SER A 115 0.766 11.897 5.603 1.00 0.00 H new ATOM 615 N GLY A 116 0.796 16.059 2.055 1.00 0.00 N ATOM 616 CA GLY A 116 1.521 17.110 1.389 1.00 0.00 C ATOM 617 C GLY A 116 2.361 16.570 0.254 1.00 0.00 C ATOM 618 O GLY A 116 1.849 16.313 -0.838 1.00 0.00 O ATOM 0 H GLY A 116 -0.191 15.993 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.819 17.850 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.162 17.622 2.106 1.00 0.00 H new ATOM 622 N SER A 117 3.641 16.392 0.503 1.00 0.00 N ATOM 623 CA SER A 117 4.547 15.881 -0.499 1.00 0.00 C ATOM 624 C SER A 117 5.075 14.511 -0.070 1.00 0.00 C ATOM 625 O SER A 117 5.914 13.913 -0.746 1.00 0.00 O ATOM 626 CB SER A 117 5.707 16.861 -0.724 1.00 0.00 C ATOM 627 OG SER A 117 6.551 16.425 -1.779 1.00 0.00 O ATOM 0 H SER A 117 4.079 16.597 1.401 1.00 0.00 H new ATOM 0 HA SER A 117 4.008 15.771 -1.440 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.311 17.850 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.288 16.958 0.193 1.00 0.00 H new ATOM 0 HG SER A 117 6.672 15.454 -1.721 1.00 0.00 H new ATOM 633 N LEU A 118 4.569 14.019 1.048 1.00 0.00 N ATOM 634 CA LEU A 118 5.002 12.768 1.594 1.00 0.00 C ATOM 635 C LEU A 118 3.852 11.778 1.673 1.00 0.00 C ATOM 636 O LEU A 118 2.802 12.074 2.244 1.00 0.00 O ATOM 637 CB LEU A 118 5.598 12.995 2.974 1.00 0.00 C ATOM 638 CG LEU A 118 7.054 13.477 3.011 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.520 13.659 4.445 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.968 12.505 2.273 1.00 0.00 C ATOM 0 H LEU A 118 3.845 14.486 1.595 1.00 0.00 H new ATOM 0 HA LEU A 118 5.761 12.345 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.982 13.726 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.531 12.062 3.534 1.00 0.00 H new ATOM 0 HG LEU A 118 7.104 14.441 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.555 14.001 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.891 14.398 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.449 12.709 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.995 12.869 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.912 11.524 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.652 12.426 1.233 1.00 0.00 H new ATOM 652 N TRP A 119 4.044 10.613 1.092 1.00 0.00 N ATOM 653 CA TRP A 119 3.033 9.576 1.117 1.00 0.00 C ATOM 654 C TRP A 119 3.230 8.649 2.305 1.00 0.00 C ATOM 655 O TRP A 119 4.349 8.230 2.606 1.00 0.00 O ATOM 656 CB TRP A 119 3.054 8.754 -0.172 1.00 0.00 C ATOM 657 CG TRP A 119 2.529 9.474 -1.374 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.173 10.424 -2.105 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.249 9.287 -1.996 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.376 10.843 -3.140 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.190 10.158 -3.097 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.147 8.465 -1.729 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.078 10.233 -3.932 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.958 8.544 -2.560 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.982 9.420 -3.647 1.00 0.00 C ATOM 0 H TRP A 119 4.897 10.359 0.593 1.00 0.00 H new ATOM 0 HA TRP A 119 2.067 10.072 1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.078 8.439 -0.371 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.466 7.849 -0.021 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.167 10.794 -1.900 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.626 11.551 -3.831 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.159 7.783 -0.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.055 10.909 -4.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.816 7.917 -2.364 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.859 9.456 -4.277 1.00 0.00 H new ATOM 676 N TYR A 120 2.148 8.367 2.986 1.00 0.00 N ATOM 677 CA TYR A 120 2.149 7.431 4.084 1.00 0.00 C ATOM 678 C TYR A 120 1.244 6.267 3.748 1.00 0.00 C ATOM 679 O TYR A 120 0.094 6.459 3.351 1.00 0.00 O ATOM 680 CB TYR A 120 1.706 8.113 5.376 1.00 0.00 C ATOM 681 CG TYR A 120 2.709 9.117 5.889 1.00 0.00 C ATOM 682 CD1 TYR A 120 2.708 10.427 5.429 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.665 8.753 6.822 1.00 0.00 C ATOM 684 CE1 TYR A 120 3.631 11.343 5.886 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.590 9.666 7.288 1.00 0.00 C ATOM 686 CZ TYR A 120 4.567 10.960 6.813 1.00 0.00 C ATOM 687 OH TYR A 120 5.490 11.872 7.265 1.00 0.00 O ATOM 0 H TYR A 120 1.236 8.782 2.794 1.00 0.00 H new ATOM 0 HA TYR A 120 3.162 7.060 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.753 8.614 5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.536 7.355 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.972 10.733 4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.688 7.738 7.191 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.617 12.358 5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 120 5.327 9.368 8.020 1.00 0.00 H new ATOM 0 HH TYR A 120 6.081 11.443 7.919 1.00 0.00 H new ATOM 697 N ILE A 121 1.763 5.069 3.885 1.00 0.00 N ATOM 698 CA ILE A 121 1.020 3.877 3.512 1.00 0.00 C ATOM 699 C ILE A 121 0.976 2.852 4.636 1.00 0.00 C ATOM 700 O ILE A 121 1.815 2.865 5.540 1.00 0.00 O ATOM 701 CB ILE A 121 1.602 3.227 2.216 1.00 0.00 C ATOM 702 CG1 ILE A 121 3.129 3.010 2.317 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.275 4.078 1.001 1.00 0.00 C ATOM 704 CD1 ILE A 121 3.543 1.784 3.109 1.00 0.00 C ATOM 0 H ILE A 121 2.697 4.889 4.252 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.002 4.199 3.314 1.00 0.00 H new ATOM 0 HB ILE A 121 1.134 2.249 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.539 2.931 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.578 3.891 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.688 3.610 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.193 4.165 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 121 1.709 5.070 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.631 1.712 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.168 1.866 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.128 0.891 2.641 1.00 0.00 H new ATOM 716 N THR A 122 -0.027 1.999 4.597 1.00 0.00 N ATOM 717 CA THR A 122 -0.158 0.908 5.554 1.00 0.00 C ATOM 718 C THR A 122 -0.900 -0.263 4.917 1.00 0.00 C ATOM 719 O THR A 122 -2.019 -0.096 4.433 1.00 0.00 O ATOM 720 CB THR A 122 -0.915 1.359 6.823 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.281 2.519 7.381 1.00 0.00 O ATOM 722 CG2 THR A 122 -0.931 0.246 7.863 1.00 0.00 C ATOM 0 H THR A 122 -0.775 2.038 3.905 1.00 0.00 H new ATOM 0 HA THR A 122 0.847 0.598 5.841 1.00 0.00 H new ATOM 0 HB THR A 122 -1.941 1.598 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.766 2.802 8.184 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.469 0.584 8.749 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.428 -0.631 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.092 -0.012 8.136 1.00 0.00 H new ATOM 730 N VAL A 123 -0.284 -1.441 4.903 1.00 0.00 N ATOM 731 CA VAL A 123 -0.928 -2.606 4.315 1.00 0.00 C ATOM 732 C VAL A 123 -1.712 -3.397 5.367 1.00 0.00 C ATOM 733 O VAL A 123 -1.142 -3.936 6.321 1.00 0.00 O ATOM 734 CB VAL A 123 0.078 -3.534 3.564 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.257 -3.916 4.440 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.622 -4.783 3.044 1.00 0.00 C ATOM 0 H VAL A 123 0.646 -1.611 5.286 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.629 -2.228 3.571 1.00 0.00 H new ATOM 0 HB VAL A 123 0.465 -2.969 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.933 -4.562 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.788 -3.015 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.898 -4.445 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.099 -5.414 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.051 -5.335 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.415 -4.495 2.354 1.00 0.00 H new ATOM 746 N MET A 124 -3.020 -3.433 5.190 1.00 0.00 N ATOM 747 CA MET A 124 -3.916 -4.131 6.100 1.00 0.00 C ATOM 748 C MET A 124 -4.628 -5.265 5.371 1.00 0.00 C ATOM 749 O MET A 124 -4.842 -5.188 4.171 1.00 0.00 O ATOM 750 CB MET A 124 -4.958 -3.160 6.671 1.00 0.00 C ATOM 751 CG MET A 124 -4.381 -1.984 7.454 1.00 0.00 C ATOM 752 SD MET A 124 -4.023 -2.362 9.191 1.00 0.00 S ATOM 753 CE MET A 124 -2.586 -3.421 9.056 1.00 0.00 C ATOM 0 H MET A 124 -3.494 -2.978 4.410 1.00 0.00 H new ATOM 0 HA MET A 124 -3.323 -4.543 6.917 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.559 -2.770 5.849 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.632 -3.716 7.323 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.463 -1.652 6.968 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.084 -1.152 7.411 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.096 -3.495 10.027 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.895 -4.414 8.729 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.891 -3.000 8.329 1.00 0.00 H new ATOM 763 N PRO A 125 -4.973 -6.343 6.076 1.00 0.00 N ATOM 764 CA PRO A 125 -5.697 -7.455 5.492 1.00 0.00 C ATOM 765 C PRO A 125 -7.215 -7.310 5.646 1.00 0.00 C ATOM 766 O PRO A 125 -7.699 -6.729 6.621 1.00 0.00 O ATOM 767 CB PRO A 125 -5.192 -8.636 6.311 1.00 0.00 C ATOM 768 CG PRO A 125 -4.940 -8.068 7.677 1.00 0.00 C ATOM 769 CD PRO A 125 -4.656 -6.588 7.496 1.00 0.00 C ATOM 0 HA PRO A 125 -5.532 -7.544 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.928 -9.439 6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.282 -9.056 5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.805 -8.219 8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.096 -8.567 8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.274 -5.978 8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.617 -6.349 7.721 1.00 0.00 H new ATOM 777 N CYS A 126 -7.955 -7.817 4.677 1.00 0.00 N ATOM 778 CA CYS A 126 -9.408 -7.805 4.744 1.00 0.00 C ATOM 779 C CYS A 126 -9.901 -8.948 5.606 1.00 0.00 C ATOM 780 O CYS A 126 -9.115 -9.781 6.064 1.00 0.00 O ATOM 781 CB CYS A 126 -10.036 -7.917 3.346 1.00 0.00 C ATOM 782 SG CYS A 126 -10.113 -6.354 2.406 1.00 0.00 S ATOM 0 H CYS A 126 -7.575 -8.243 3.832 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.709 -6.854 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.468 -8.644 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -11.047 -8.311 3.449 1.00 0.00 H new ATOM 787 N SER A 127 -11.197 -8.976 5.838 1.00 0.00 N ATOM 788 CA SER A 127 -11.806 -10.041 6.587 1.00 0.00 C ATOM 789 C SER A 127 -11.608 -11.364 5.857 1.00 0.00 C ATOM 790 O SER A 127 -11.561 -11.401 4.618 1.00 0.00 O ATOM 791 CB SER A 127 -13.287 -9.748 6.771 1.00 0.00 C ATOM 792 OG SER A 127 -13.470 -8.459 7.336 1.00 0.00 O ATOM 0 H SER A 127 -11.850 -8.263 5.512 1.00 0.00 H new ATOM 0 HA SER A 127 -11.337 -10.114 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.798 -9.807 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.736 -10.502 7.417 1.00 0.00 H new ATOM 0 HG SER A 127 -14.428 -8.283 7.447 1.00 0.00 H new ATOM 798 N ILE A 128 -11.475 -12.427 6.607 1.00 0.00 N ATOM 799 CA ILE A 128 -11.265 -13.735 6.037 1.00 0.00 C ATOM 800 C ILE A 128 -12.424 -14.101 5.117 1.00 0.00 C ATOM 801 O ILE A 128 -13.590 -14.075 5.518 1.00 0.00 O ATOM 802 CB ILE A 128 -11.061 -14.822 7.141 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.673 -14.680 7.806 1.00 0.00 C ATOM 804 CG2 ILE A 128 -11.224 -16.228 6.563 1.00 0.00 C ATOM 805 CD1 ILE A 128 -9.454 -13.375 8.558 1.00 0.00 C ATOM 0 H ILE A 128 -11.509 -12.412 7.626 1.00 0.00 H new ATOM 0 HA ILE A 128 -10.348 -13.701 5.448 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.828 -14.669 7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -9.531 -15.510 8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.906 -14.772 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -11.077 -16.965 7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -12.226 -16.337 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -10.486 -16.386 5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -8.453 -13.367 8.990 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.559 -12.536 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -10.193 -13.285 9.354 1.00 0.00 H new ATOM 817 N GLY A 129 -12.092 -14.408 3.878 1.00 0.00 N ATOM 818 CA GLY A 129 -13.095 -14.746 2.905 1.00 0.00 C ATOM 819 C GLY A 129 -13.488 -13.577 2.022 1.00 0.00 C ATOM 820 O GLY A 129 -14.326 -13.728 1.127 1.00 0.00 O ATOM 0 H GLY A 129 -11.134 -14.428 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.726 -15.558 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.981 -15.118 3.420 1.00 0.00 H new ATOM 824 N THR A 130 -12.907 -12.405 2.262 1.00 0.00 N ATOM 825 CA THR A 130 -13.221 -11.238 1.453 1.00 0.00 C ATOM 826 C THR A 130 -11.975 -10.681 0.768 1.00 0.00 C ATOM 827 O THR A 130 -10.844 -10.998 1.148 1.00 0.00 O ATOM 828 CB THR A 130 -13.898 -10.114 2.282 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.037 -9.677 3.336 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.218 -10.590 2.870 1.00 0.00 C ATOM 0 H THR A 130 -12.224 -12.242 3.002 1.00 0.00 H new ATOM 0 HA THR A 130 -13.926 -11.577 0.694 1.00 0.00 H new ATOM 0 HB THR A 130 -14.093 -9.279 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.382 -10.378 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.672 -9.783 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.891 -10.883 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.039 -11.445 3.522 1.00 0.00 H new ATOM 838 N LYS A 131 -12.195 -9.862 -0.244 1.00 0.00 N ATOM 839 CA LYS A 131 -11.120 -9.231 -0.992 1.00 0.00 C ATOM 840 C LYS A 131 -11.414 -7.748 -1.148 1.00 0.00 C ATOM 841 O LYS A 131 -12.573 -7.356 -1.256 1.00 0.00 O ATOM 842 CB LYS A 131 -10.984 -9.885 -2.365 1.00 0.00 C ATOM 843 CG LYS A 131 -12.248 -9.814 -3.205 1.00 0.00 C ATOM 844 CD LYS A 131 -12.088 -10.550 -4.515 1.00 0.00 C ATOM 845 CE LYS A 131 -13.363 -10.498 -5.329 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.225 -11.215 -6.618 1.00 0.00 N ATOM 0 H LYS A 131 -13.128 -9.614 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.182 -9.357 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.171 -9.403 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.704 -10.930 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.081 -10.241 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.497 -8.771 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.270 -10.109 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.818 -11.588 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.179 -10.937 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.631 -9.458 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.119 -11.156 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.464 -10.780 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -12.995 -12.213 -6.437 1.00 0.00 H new ATOM 860 N PHE A 132 -10.388 -6.934 -1.143 1.00 0.00 N ATOM 861 CA PHE A 132 -10.571 -5.498 -1.250 1.00 0.00 C ATOM 862 C PHE A 132 -10.767 -5.060 -2.702 1.00 0.00 C ATOM 863 O PHE A 132 -10.090 -5.549 -3.615 1.00 0.00 O ATOM 864 CB PHE A 132 -9.380 -4.773 -0.637 1.00 0.00 C ATOM 865 CG PHE A 132 -9.650 -3.335 -0.305 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.245 -2.994 0.895 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.299 -2.328 -1.183 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.488 -1.676 1.213 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.541 -1.008 -0.873 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.135 -0.680 0.327 1.00 0.00 C ATOM 0 H PHE A 132 -9.417 -7.235 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.475 -5.235 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.077 -5.295 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.540 -4.824 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.523 -3.771 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.830 -2.578 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -10.954 -1.423 2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.265 -0.230 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.323 0.355 0.573 1.00 0.00 H new ATOM 880 N ASP A 133 -11.707 -4.152 -2.907 1.00 0.00 N ATOM 881 CA ASP A 133 -11.981 -3.602 -4.228 1.00 0.00 C ATOM 882 C ASP A 133 -11.388 -2.197 -4.347 1.00 0.00 C ATOM 883 O ASP A 133 -11.574 -1.368 -3.460 1.00 0.00 O ATOM 884 CB ASP A 133 -13.487 -3.555 -4.489 1.00 0.00 C ATOM 885 CG ASP A 133 -13.817 -3.078 -5.885 1.00 0.00 C ATOM 886 OD1 ASP A 133 -13.807 -3.906 -6.815 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.102 -1.873 -6.058 1.00 0.00 O ATOM 0 H ASP A 133 -12.300 -3.776 -2.167 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.518 -4.249 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -13.910 -4.548 -4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -13.958 -2.894 -3.762 1.00 0.00 H new ATOM 892 N PRO A 134 -10.671 -1.914 -5.447 1.00 0.00 N ATOM 893 CA PRO A 134 -9.995 -0.621 -5.650 1.00 0.00 C ATOM 894 C PRO A 134 -10.954 0.553 -5.864 1.00 0.00 C ATOM 895 O PRO A 134 -10.714 1.658 -5.370 1.00 0.00 O ATOM 896 CB PRO A 134 -9.161 -0.851 -6.917 1.00 0.00 C ATOM 897 CG PRO A 134 -9.851 -1.960 -7.636 1.00 0.00 C ATOM 898 CD PRO A 134 -10.453 -2.837 -6.579 1.00 0.00 C ATOM 0 HA PRO A 134 -9.418 -0.343 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.117 0.050 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.134 -1.119 -6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.620 -1.571 -8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.148 -2.521 -8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.387 -3.287 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -9.785 -3.654 -6.307 1.00 0.00 H new ATOM 906 N ILE A 135 -12.017 0.322 -6.611 1.00 0.00 N ATOM 907 CA ILE A 135 -12.952 1.384 -6.942 1.00 0.00 C ATOM 908 C ILE A 135 -13.895 1.699 -5.787 1.00 0.00 C ATOM 909 O ILE A 135 -14.012 2.851 -5.373 1.00 0.00 O ATOM 910 CB ILE A 135 -13.772 1.036 -8.207 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.835 0.606 -9.350 1.00 0.00 C ATOM 912 CG2 ILE A 135 -14.634 2.221 -8.637 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.708 1.586 -9.632 1.00 0.00 C ATOM 0 H ILE A 135 -12.256 -0.590 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.353 2.272 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.434 0.204 -7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -12.405 -0.365 -9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.424 0.475 -10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.202 1.954 -9.528 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.322 2.481 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -13.994 3.075 -8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.094 1.209 -10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.128 2.553 -9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.093 1.700 -8.739 1.00 0.00 H new ATOM 925 N SER A 136 -14.551 0.684 -5.261 1.00 0.00 N ATOM 926 CA SER A 136 -15.503 0.882 -4.178 1.00 0.00 C ATOM 927 C SER A 136 -14.784 1.175 -2.856 1.00 0.00 C ATOM 928 O SER A 136 -15.319 1.875 -1.988 1.00 0.00 O ATOM 929 CB SER A 136 -16.429 -0.327 -4.052 1.00 0.00 C ATOM 930 OG SER A 136 -15.698 -1.528 -3.939 1.00 0.00 O ATOM 0 H SER A 136 -14.445 -0.285 -5.562 1.00 0.00 H new ATOM 0 HA SER A 136 -16.115 1.753 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 136 -17.070 -0.206 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.083 -0.378 -4.923 1.00 0.00 H new ATOM 0 HG SER A 136 -15.734 -1.847 -3.013 1.00 0.00 H new ATOM 936 N ARG A 137 -13.573 0.624 -2.719 1.00 0.00 N ATOM 937 CA ARG A 137 -12.712 0.845 -1.555 1.00 0.00 C ATOM 938 C ARG A 137 -13.274 0.208 -0.292 1.00 0.00 C ATOM 939 O ARG A 137 -13.508 0.880 0.715 1.00 0.00 O ATOM 940 CB ARG A 137 -12.416 2.334 -1.337 1.00 0.00 C ATOM 941 CG ARG A 137 -11.568 2.954 -2.436 1.00 0.00 C ATOM 942 CD ARG A 137 -11.344 4.436 -2.197 1.00 0.00 C ATOM 943 NE ARG A 137 -10.353 4.997 -3.120 1.00 0.00 N ATOM 944 CZ ARG A 137 -9.818 6.217 -2.998 1.00 0.00 C ATOM 945 NH1 ARG A 137 -10.174 7.007 -1.992 1.00 0.00 N ATOM 946 NH2 ARG A 137 -8.923 6.646 -3.876 1.00 0.00 N ATOM 0 H ARG A 137 -13.161 0.007 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.767 0.348 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.359 2.877 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -11.905 2.458 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -10.606 2.443 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.057 2.810 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -12.288 4.968 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.012 4.592 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.052 4.420 -3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.858 6.684 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -9.763 7.936 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -8.639 6.045 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -8.518 7.577 -3.778 1.00 0.00 H new ATOM 960 N ASN A 138 -13.482 -1.089 -0.359 1.00 0.00 N ATOM 961 CA ASN A 138 -13.953 -1.874 0.767 1.00 0.00 C ATOM 962 C ASN A 138 -13.707 -3.340 0.472 1.00 0.00 C ATOM 963 O ASN A 138 -13.240 -3.679 -0.618 1.00 0.00 O ATOM 964 CB ASN A 138 -15.445 -1.610 1.056 1.00 0.00 C ATOM 965 CG ASN A 138 -16.366 -1.986 -0.091 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.617 -1.182 -0.982 1.00 0.00 O ATOM 967 ND2 ASN A 138 -16.897 -3.195 -0.063 1.00 0.00 N ATOM 0 H ASN A 138 -13.328 -1.637 -1.206 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.404 -1.582 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.738 -2.170 1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.580 -0.553 1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.540 -3.487 -0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.664 -3.837 0.695 1.00 0.00 H new ATOM 974 N CYS A 139 -14.018 -4.204 1.409 1.00 0.00 N ATOM 975 CA CYS A 139 -13.790 -5.621 1.206 1.00 0.00 C ATOM 976 C CYS A 139 -15.099 -6.299 0.820 1.00 0.00 C ATOM 977 O CYS A 139 -16.109 -6.171 1.514 1.00 0.00 O ATOM 978 CB CYS A 139 -13.196 -6.266 2.472 1.00 0.00 C ATOM 979 SG CYS A 139 -11.741 -5.384 3.168 1.00 0.00 S ATOM 0 H CYS A 139 -14.425 -3.958 2.311 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.071 -5.751 0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.972 -6.319 3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.907 -7.291 2.240 1.00 0.00 H new ATOM 984 N VAL A 140 -15.075 -6.994 -0.302 1.00 0.00 N ATOM 985 CA VAL A 140 -16.250 -7.663 -0.829 1.00 0.00 C ATOM 986 C VAL A 140 -16.075 -9.171 -0.774 1.00 0.00 C ATOM 987 O VAL A 140 -14.967 -9.662 -0.541 1.00 0.00 O ATOM 988 CB VAL A 140 -16.529 -7.237 -2.294 1.00 0.00 C ATOM 989 CG1 VAL A 140 -16.765 -5.739 -2.381 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.379 -7.648 -3.207 1.00 0.00 C ATOM 0 H VAL A 140 -14.239 -7.111 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.097 -7.371 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.431 -7.749 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.959 -5.461 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.624 -5.470 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -15.882 -5.210 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -15.597 -7.339 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.459 -7.169 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.257 -8.731 -3.174 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.164 -9.896 -0.985 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.138 -11.358 -0.976 1.00 0.00 C ATOM 1002 C LEU A 141 -16.161 -11.896 -2.008 1.00 0.00 C ATOM 1003 O LEU A 141 -16.320 -11.672 -3.211 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.540 -11.935 -1.231 1.00 0.00 C ATOM 1005 CG LEU A 141 -19.435 -12.136 0.002 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -18.836 -13.176 0.935 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -19.666 -10.823 0.739 1.00 0.00 C ATOM 0 H LEU A 141 -18.084 -9.495 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.805 -11.672 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.059 -11.274 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.427 -12.897 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 141 -20.403 -12.498 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -19.484 -13.304 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -18.742 -14.126 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -17.851 -12.845 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -20.303 -10.999 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -18.709 -10.417 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -20.151 -10.111 0.071 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.142 -12.588 -1.528 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.144 -13.179 -2.394 1.00 0.00 C ATOM 1021 C ASP A 142 -14.502 -14.608 -2.709 1.00 0.00 C ATOM 1022 O ASP A 142 -14.369 -15.494 -1.863 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.761 -13.122 -1.746 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.727 -13.927 -2.508 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -11.392 -13.554 -3.641 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.231 -14.936 -1.958 1.00 0.00 O ATOM 0 H ASP A 142 -14.986 -12.754 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.119 -12.606 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.435 -12.084 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.827 -13.496 -0.724 1.00 0.00 H new