USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 568 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 62 ASN : amide:sc= -0.0824 X(o=-0.082,f=-0.53) USER MOD Set 1.2: A 66 MET CE :methyl 157:sc= 0 (180deg=-0.251) USER MOD Single : A 9 MET CE :methyl 158:sc= -0.0786 (180deg=-0.449) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= -0.138 (180deg=-0.198) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 97:sc= 0.735 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.3) USER MOD Single : A 86 THR OG1 : rot 22:sc= 0.378 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.851 11.980 -9.237 1.00 0.00 N ATOM 84 CA MET A 9 -11.025 12.079 -8.039 1.00 0.00 C ATOM 85 C MET A 9 -9.922 11.027 -8.051 1.00 0.00 C ATOM 86 O MET A 9 -10.059 9.977 -8.681 1.00 0.00 O ATOM 87 CB MET A 9 -11.887 11.918 -6.785 1.00 0.00 C ATOM 88 CG MET A 9 -12.881 13.049 -6.581 1.00 0.00 C ATOM 89 SD MET A 9 -13.360 13.250 -4.855 1.00 0.00 S ATOM 90 CE MET A 9 -11.852 13.923 -4.161 1.00 0.00 C ATOM 0 HA MET A 9 -10.561 13.065 -8.028 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.430 10.975 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.236 11.855 -5.913 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.446 13.980 -6.944 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.771 12.858 -7.181 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.082 14.455 -3.238 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.156 13.112 -3.948 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.399 14.612 -4.874 1.00 0.00 H new ATOM 100 N ILE A 10 -8.829 11.314 -7.352 1.00 0.00 N ATOM 101 CA ILE A 10 -7.703 10.391 -7.282 1.00 0.00 C ATOM 102 C ILE A 10 -8.055 9.154 -6.462 1.00 0.00 C ATOM 103 O ILE A 10 -7.812 8.025 -6.888 1.00 0.00 O ATOM 104 CB ILE A 10 -6.461 11.063 -6.668 1.00 0.00 C ATOM 105 CG1 ILE A 10 -5.815 12.012 -7.680 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.462 10.011 -6.208 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.441 13.389 -7.702 1.00 0.00 C ATOM 0 H ILE A 10 -8.699 12.178 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.476 10.093 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.772 11.644 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.754 12.108 -7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.887 11.573 -8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.590 10.502 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.927 9.371 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.153 9.405 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.933 14.008 -8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.496 13.305 -7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.345 13.848 -6.718 1.00 0.00 H new ATOM 119 N ARG A 11 -8.631 9.376 -5.285 1.00 0.00 N ATOM 120 CA ARG A 11 -9.018 8.280 -4.406 1.00 0.00 C ATOM 121 C ARG A 11 -9.502 7.079 -5.214 1.00 0.00 C ATOM 122 O ARG A 11 -8.979 5.974 -5.074 1.00 0.00 O ATOM 123 CB ARG A 11 -10.115 8.735 -3.441 1.00 0.00 C ATOM 124 CG ARG A 11 -10.239 7.861 -2.204 1.00 0.00 C ATOM 125 CD ARG A 11 -11.217 6.718 -2.424 1.00 0.00 C ATOM 126 NE ARG A 11 -12.566 7.199 -2.711 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.662 6.474 -2.513 1.00 0.00 C ATOM 128 NH1 ARG A 11 -13.568 5.243 -2.031 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.854 6.982 -2.798 1.00 0.00 N ATOM 0 H ARG A 11 -8.840 10.305 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.141 7.980 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.913 9.761 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.070 8.743 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.260 7.458 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.570 8.467 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.870 6.098 -3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.239 6.084 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.673 8.143 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.653 4.850 -1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.411 4.689 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.929 7.929 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.695 6.425 -2.646 1.00 0.00 H new ATOM 143 N GLU A 12 -10.505 7.305 -6.057 1.00 0.00 N ATOM 144 CA GLU A 12 -11.060 6.241 -6.886 1.00 0.00 C ATOM 145 C GLU A 12 -9.997 5.668 -7.819 1.00 0.00 C ATOM 146 O GLU A 12 -9.891 4.453 -7.983 1.00 0.00 O ATOM 147 CB GLU A 12 -12.242 6.765 -7.703 1.00 0.00 C ATOM 148 CG GLU A 12 -13.419 7.213 -6.852 1.00 0.00 C ATOM 149 CD GLU A 12 -14.555 7.782 -7.681 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.286 8.283 -8.792 1.00 0.00 O ATOM 151 OE2 GLU A 12 -15.713 7.725 -7.216 1.00 0.00 O ATOM 0 H GLU A 12 -10.949 8.214 -6.184 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.407 5.445 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.907 7.603 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.575 5.984 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.786 6.366 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.082 7.966 -6.139 1.00 0.00 H new ATOM 158 N ARG A 13 -9.213 6.552 -8.427 1.00 0.00 N ATOM 159 CA ARG A 13 -8.160 6.135 -9.345 1.00 0.00 C ATOM 160 C ARG A 13 -7.168 5.207 -8.649 1.00 0.00 C ATOM 161 O ARG A 13 -6.706 4.226 -9.233 1.00 0.00 O ATOM 162 CB ARG A 13 -7.426 7.357 -9.902 1.00 0.00 C ATOM 163 CG ARG A 13 -8.280 8.211 -10.825 1.00 0.00 C ATOM 164 CD ARG A 13 -7.563 9.493 -11.218 1.00 0.00 C ATOM 165 NE ARG A 13 -6.732 9.313 -12.405 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.181 10.319 -13.076 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.372 11.569 -12.678 1.00 0.00 N ATOM 168 NH2 ARG A 13 -5.437 10.074 -14.148 1.00 0.00 N ATOM 0 H ARG A 13 -9.287 7.561 -8.301 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.624 5.592 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.078 7.971 -9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.542 7.023 -10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.530 7.643 -11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.220 8.455 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.297 10.276 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.942 9.830 -10.388 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.565 8.363 -12.737 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.943 11.761 -11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.948 12.339 -13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.288 9.113 -14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.014 10.846 -14.663 1.00 0.00 H new ATOM 182 N ILE A 14 -6.846 5.523 -7.399 1.00 0.00 N ATOM 183 CA ILE A 14 -5.910 4.718 -6.625 1.00 0.00 C ATOM 184 C ILE A 14 -6.407 3.283 -6.484 1.00 0.00 C ATOM 185 O ILE A 14 -5.835 2.359 -7.061 1.00 0.00 O ATOM 186 CB ILE A 14 -5.684 5.311 -5.222 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.105 6.723 -5.329 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.762 4.414 -4.410 1.00 0.00 C ATOM 189 CD1 ILE A 14 -4.610 7.275 -4.010 1.00 0.00 C ATOM 0 H ILE A 14 -7.220 6.331 -6.901 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.965 4.722 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.644 5.370 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.281 6.716 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.868 7.390 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.612 4.847 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.211 3.426 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.801 4.326 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.213 8.279 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.436 7.315 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.824 6.630 -3.618 1.00 0.00 H new ATOM 201 N GLU A 15 -7.475 3.105 -5.713 1.00 0.00 N ATOM 202 CA GLU A 15 -8.049 1.782 -5.498 1.00 0.00 C ATOM 203 C GLU A 15 -8.270 1.062 -6.825 1.00 0.00 C ATOM 204 O GLU A 15 -7.830 -0.073 -7.007 1.00 0.00 O ATOM 205 CB GLU A 15 -9.373 1.893 -4.739 1.00 0.00 C ATOM 206 CG GLU A 15 -9.202 2.118 -3.246 1.00 0.00 C ATOM 207 CD GLU A 15 -10.342 2.914 -2.641 1.00 0.00 C ATOM 208 OE1 GLU A 15 -10.850 3.832 -3.318 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.726 2.619 -1.490 1.00 0.00 O ATOM 0 H GLU A 15 -7.960 3.860 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.344 1.201 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.954 2.715 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.950 0.982 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.130 1.154 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.263 2.642 -3.067 1.00 0.00 H new ATOM 216 N GLU A 16 -8.955 1.730 -7.747 1.00 0.00 N ATOM 217 CA GLU A 16 -9.235 1.153 -9.057 1.00 0.00 C ATOM 218 C GLU A 16 -8.003 0.448 -9.616 1.00 0.00 C ATOM 219 O GLU A 16 -8.106 -0.610 -10.237 1.00 0.00 O ATOM 220 CB GLU A 16 -9.699 2.240 -10.029 1.00 0.00 C ATOM 221 CG GLU A 16 -11.186 2.540 -9.941 1.00 0.00 C ATOM 222 CD GLU A 16 -11.753 3.066 -11.246 1.00 0.00 C ATOM 223 OE1 GLU A 16 -11.592 2.383 -12.279 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.357 4.158 -11.234 1.00 0.00 O ATOM 0 H GLU A 16 -9.326 2.670 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.031 0.417 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.140 3.155 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.458 1.933 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.720 1.633 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.359 3.272 -9.152 1.00 0.00 H new ATOM 231 N LYS A 17 -6.836 1.043 -9.392 1.00 0.00 N ATOM 232 CA LYS A 17 -5.582 0.474 -9.871 1.00 0.00 C ATOM 233 C LYS A 17 -5.157 -0.711 -9.009 1.00 0.00 C ATOM 234 O LYS A 17 -4.997 -1.827 -9.505 1.00 0.00 O ATOM 235 CB LYS A 17 -4.482 1.538 -9.873 1.00 0.00 C ATOM 236 CG LYS A 17 -4.580 2.512 -11.034 1.00 0.00 C ATOM 237 CD LYS A 17 -3.796 2.023 -12.240 1.00 0.00 C ATOM 238 CE LYS A 17 -4.130 2.829 -13.486 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.629 4.228 -13.393 1.00 0.00 N ATOM 0 H LYS A 17 -6.733 1.920 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.739 0.121 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.526 2.095 -8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.511 1.044 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.626 2.647 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.203 3.487 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.728 2.095 -12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.017 0.970 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.694 2.344 -14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.210 2.839 -13.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.877 4.744 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.064 4.699 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.595 4.220 -13.278 1.00 0.00 H new ATOM 253 N LEU A 18 -4.977 -0.461 -7.717 1.00 0.00 N ATOM 254 CA LEU A 18 -4.572 -1.508 -6.785 1.00 0.00 C ATOM 255 C LEU A 18 -5.390 -2.777 -7.002 1.00 0.00 C ATOM 256 O LEU A 18 -4.884 -3.888 -6.846 1.00 0.00 O ATOM 257 CB LEU A 18 -4.732 -1.024 -5.343 1.00 0.00 C ATOM 258 CG LEU A 18 -4.157 0.358 -5.030 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.425 0.733 -3.581 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.664 0.393 -5.325 1.00 0.00 C ATOM 0 H LEU A 18 -5.105 0.457 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.523 -1.739 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.794 -1.017 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.258 -1.750 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.651 1.089 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.008 1.719 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.500 0.749 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.959 -0.001 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.271 1.384 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.154 -0.350 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.496 0.170 -6.379 1.00 0.00 H new ATOM 272 N ARG A 19 -6.657 -2.603 -7.363 1.00 0.00 N ATOM 273 CA ARG A 19 -7.546 -3.733 -7.603 1.00 0.00 C ATOM 274 C ARG A 19 -6.864 -4.785 -8.473 1.00 0.00 C ATOM 275 O ARG A 19 -6.821 -5.963 -8.121 1.00 0.00 O ATOM 276 CB ARG A 19 -8.838 -3.262 -8.272 1.00 0.00 C ATOM 277 CG ARG A 19 -9.843 -2.663 -7.301 1.00 0.00 C ATOM 278 CD ARG A 19 -11.258 -2.726 -7.854 1.00 0.00 C ATOM 279 NE ARG A 19 -11.415 -1.905 -9.051 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.593 -1.600 -9.584 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.711 -2.047 -9.029 1.00 0.00 N ATOM 282 NH2 ARG A 19 -12.654 -0.847 -10.675 1.00 0.00 N ATOM 0 H ARG A 19 -7.091 -1.690 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.788 -4.183 -6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.594 -2.520 -9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.300 -4.105 -8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.798 -3.198 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.578 -1.626 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.510 -3.760 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.961 -2.392 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.574 -1.546 -9.503 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.668 -2.627 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.614 -1.811 -9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.796 -0.502 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.559 -0.613 -11.083 1.00 0.00 H new ATOM 296 N ALA A 20 -6.335 -4.351 -9.612 1.00 0.00 N ATOM 297 CA ALA A 20 -5.654 -5.254 -10.532 1.00 0.00 C ATOM 298 C ALA A 20 -4.158 -5.309 -10.242 1.00 0.00 C ATOM 299 O ALA A 20 -3.504 -6.319 -10.497 1.00 0.00 O ATOM 300 CB ALA A 20 -5.899 -4.824 -11.971 1.00 0.00 C ATOM 0 H ALA A 20 -6.365 -3.379 -9.920 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.062 -6.255 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.385 -5.507 -12.647 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.969 -4.844 -12.180 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.519 -3.813 -12.118 1.00 0.00 H new ATOM 306 N ALA A 21 -3.623 -4.216 -9.707 1.00 0.00 N ATOM 307 CA ALA A 21 -2.205 -4.141 -9.382 1.00 0.00 C ATOM 308 C ALA A 21 -1.777 -5.321 -8.516 1.00 0.00 C ATOM 309 O ALA A 21 -0.921 -6.114 -8.908 1.00 0.00 O ATOM 310 CB ALA A 21 -1.893 -2.828 -8.679 1.00 0.00 C ATOM 0 H ALA A 21 -4.151 -3.371 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.642 -4.184 -10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.830 -2.786 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.153 -1.995 -9.332 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.473 -2.761 -7.758 1.00 0.00 H new ATOM 316 N PHE A 22 -2.378 -5.431 -7.336 1.00 0.00 N ATOM 317 CA PHE A 22 -2.057 -6.514 -6.413 1.00 0.00 C ATOM 318 C PHE A 22 -3.199 -7.524 -6.343 1.00 0.00 C ATOM 319 O PHE A 22 -2.972 -8.734 -6.359 1.00 0.00 O ATOM 320 CB PHE A 22 -1.769 -5.956 -5.018 1.00 0.00 C ATOM 321 CG PHE A 22 -0.578 -5.043 -4.972 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.702 -5.558 -4.840 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.737 -3.669 -5.061 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.801 -4.720 -4.797 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.358 -2.827 -5.020 1.00 0.00 C ATOM 326 CZ PHE A 22 1.628 -3.353 -4.887 1.00 0.00 C ATOM 0 H PHE A 22 -3.090 -4.784 -6.996 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.167 -7.022 -6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.646 -5.414 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.608 -6.786 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.843 -6.627 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.728 -3.252 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.793 -5.134 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.221 -1.758 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.485 -2.696 -4.853 1.00 0.00 H new ATOM 336 N GLN A 23 -4.425 -7.018 -6.265 1.00 0.00 N ATOM 337 CA GLN A 23 -5.602 -7.876 -6.191 1.00 0.00 C ATOM 338 C GLN A 23 -5.737 -8.497 -4.804 1.00 0.00 C ATOM 339 O GLN A 23 -5.885 -9.710 -4.652 1.00 0.00 O ATOM 340 CB GLN A 23 -5.524 -8.977 -7.250 1.00 0.00 C ATOM 341 CG GLN A 23 -4.941 -8.507 -8.573 1.00 0.00 C ATOM 342 CD GLN A 23 -5.199 -9.484 -9.704 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.188 -9.367 -10.428 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.308 -10.456 -9.862 1.00 0.00 N ATOM 0 H GLN A 23 -4.630 -6.019 -6.251 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.481 -7.261 -6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.917 -9.797 -6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.524 -9.374 -7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.368 -7.538 -8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.867 -8.362 -8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.503 -10.516 -9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.429 -11.143 -10.606 1.00 0.00 H new ATOM 353 N PRO A 24 -5.684 -7.648 -3.767 1.00 0.00 N ATOM 354 CA PRO A 24 -5.798 -8.091 -2.375 1.00 0.00 C ATOM 355 C PRO A 24 -7.204 -8.574 -2.034 1.00 0.00 C ATOM 356 O PRO A 24 -8.068 -8.667 -2.906 1.00 0.00 O ATOM 357 CB PRO A 24 -5.456 -6.833 -1.573 1.00 0.00 C ATOM 358 CG PRO A 24 -5.794 -5.701 -2.481 1.00 0.00 C ATOM 359 CD PRO A 24 -5.509 -6.190 -3.875 1.00 0.00 C ATOM 0 HA PRO A 24 -5.147 -8.939 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.031 -6.784 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.402 -6.816 -1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.840 -5.414 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.196 -4.820 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.196 -5.756 -4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.500 -5.929 -4.194 1.00 0.00 H new ATOM 367 N VAL A 25 -7.427 -8.880 -0.759 1.00 0.00 N ATOM 368 CA VAL A 25 -8.728 -9.352 -0.303 1.00 0.00 C ATOM 369 C VAL A 25 -9.560 -8.207 0.264 1.00 0.00 C ATOM 370 O VAL A 25 -10.790 -8.233 0.209 1.00 0.00 O ATOM 371 CB VAL A 25 -8.583 -10.447 0.770 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.805 -9.923 1.967 1.00 0.00 C ATOM 373 CG2 VAL A 25 -9.951 -10.960 1.197 1.00 0.00 C ATOM 0 H VAL A 25 -6.723 -8.809 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.236 -9.770 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.026 -11.279 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.713 -10.711 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.812 -9.609 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.332 -9.073 2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.829 -11.733 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.536 -10.137 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.469 -11.377 0.333 1.00 0.00 H new ATOM 383 N PHE A 26 -8.881 -7.203 0.809 1.00 0.00 N ATOM 384 CA PHE A 26 -9.558 -6.048 1.387 1.00 0.00 C ATOM 385 C PHE A 26 -9.089 -4.756 0.725 1.00 0.00 C ATOM 386 O PHE A 26 -7.946 -4.653 0.276 1.00 0.00 O ATOM 387 CB PHE A 26 -9.304 -5.983 2.894 1.00 0.00 C ATOM 388 CG PHE A 26 -10.260 -5.085 3.625 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.502 -5.551 4.024 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.917 -3.774 3.914 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.385 -4.727 4.697 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.795 -2.945 4.587 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.031 -3.422 4.978 1.00 0.00 C ATOM 0 H PHE A 26 -7.863 -7.166 0.862 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.628 -6.159 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.373 -6.988 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.286 -5.635 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.784 -6.571 3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.952 -3.395 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.350 -5.103 5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.515 -1.925 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.719 -2.776 5.502 1.00 0.00 H new ATOM 403 N LEU A 27 -9.979 -3.772 0.666 1.00 0.00 N ATOM 404 CA LEU A 27 -9.658 -2.485 0.058 1.00 0.00 C ATOM 405 C LEU A 27 -10.578 -1.389 0.586 1.00 0.00 C ATOM 406 O LEU A 27 -11.801 -1.523 0.553 1.00 0.00 O ATOM 407 CB LEU A 27 -9.775 -2.575 -1.464 1.00 0.00 C ATOM 408 CG LEU A 27 -8.852 -1.653 -2.264 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.401 -2.077 -2.099 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.246 -1.649 -3.733 1.00 0.00 C ATOM 0 H LEU A 27 -10.929 -3.840 1.032 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.632 -2.231 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.576 -3.604 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.806 -2.355 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.958 -0.639 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.759 -1.410 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.125 -2.027 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.277 -3.099 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.579 -0.988 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.169 -2.660 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.272 -1.296 -3.833 1.00 0.00 H new ATOM 422 N GLU A 28 -9.981 -0.304 1.069 1.00 0.00 N ATOM 423 CA GLU A 28 -10.748 0.816 1.603 1.00 0.00 C ATOM 424 C GLU A 28 -9.859 2.040 1.801 1.00 0.00 C ATOM 425 O GLU A 28 -8.944 2.029 2.625 1.00 0.00 O ATOM 426 CB GLU A 28 -11.404 0.428 2.930 1.00 0.00 C ATOM 427 CG GLU A 28 -12.188 1.559 3.575 1.00 0.00 C ATOM 428 CD GLU A 28 -12.581 1.253 5.007 1.00 0.00 C ATOM 429 OE1 GLU A 28 -11.676 1.000 5.829 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.794 1.265 5.305 1.00 0.00 O ATOM 0 H GLU A 28 -8.970 -0.177 1.102 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.526 1.067 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.072 -0.416 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.632 0.091 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.590 2.470 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.086 1.754 2.989 1.00 0.00 H new ATOM 437 N VAL A 29 -10.133 3.093 1.038 1.00 0.00 N ATOM 438 CA VAL A 29 -9.359 4.325 1.129 1.00 0.00 C ATOM 439 C VAL A 29 -10.164 5.432 1.801 1.00 0.00 C ATOM 440 O VAL A 29 -11.363 5.576 1.560 1.00 0.00 O ATOM 441 CB VAL A 29 -8.905 4.807 -0.262 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.240 6.172 -0.163 1.00 0.00 C ATOM 443 CG2 VAL A 29 -7.966 3.793 -0.897 1.00 0.00 C ATOM 0 H VAL A 29 -10.885 3.118 0.350 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.479 4.102 1.733 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.784 4.902 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.926 6.496 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.948 6.893 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.370 6.106 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.655 4.150 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.088 3.663 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.480 2.838 -1.004 1.00 0.00 H new ATOM 453 N VAL A 30 -9.497 6.213 2.644 1.00 0.00 N ATOM 454 CA VAL A 30 -10.149 7.309 3.350 1.00 0.00 C ATOM 455 C VAL A 30 -9.672 8.660 2.830 1.00 0.00 C ATOM 456 O VAL A 30 -8.593 9.130 3.191 1.00 0.00 O ATOM 457 CB VAL A 30 -9.889 7.235 4.866 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.502 8.434 5.574 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.433 5.933 5.437 1.00 0.00 C ATOM 0 H VAL A 30 -8.505 6.107 2.855 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.219 7.209 3.167 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.812 7.257 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.307 8.363 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.060 9.351 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.578 8.448 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.241 5.897 6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.507 5.878 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.941 5.090 4.952 1.00 0.00 H new ATOM 469 N ASP A 31 -10.483 9.280 1.979 1.00 0.00 N ATOM 470 CA ASP A 31 -10.144 10.579 1.409 1.00 0.00 C ATOM 471 C ASP A 31 -10.645 11.711 2.301 1.00 0.00 C ATOM 472 O ASP A 31 -11.661 11.574 2.982 1.00 0.00 O ATOM 473 CB ASP A 31 -10.741 10.716 0.008 1.00 0.00 C ATOM 474 CG ASP A 31 -12.085 10.027 -0.119 1.00 0.00 C ATOM 475 OD1 ASP A 31 -12.775 9.876 0.911 1.00 0.00 O ATOM 476 OD2 ASP A 31 -12.448 9.639 -1.249 1.00 0.00 O ATOM 0 H ASP A 31 -11.379 8.904 1.669 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.058 10.647 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.854 11.773 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.049 10.294 -0.721 1.00 0.00 H new ATOM 481 N GLU A 32 -9.923 12.828 2.293 1.00 0.00 N ATOM 482 CA GLU A 32 -10.294 13.982 3.103 1.00 0.00 C ATOM 483 C GLU A 32 -10.704 15.157 2.220 1.00 0.00 C ATOM 484 O GLU A 32 -9.952 15.580 1.342 1.00 0.00 O ATOM 485 CB GLU A 32 -9.131 14.392 4.009 1.00 0.00 C ATOM 486 CG GLU A 32 -7.916 14.897 3.249 1.00 0.00 C ATOM 487 CD GLU A 32 -7.987 16.383 2.956 1.00 0.00 C ATOM 488 OE1 GLU A 32 -8.514 17.130 3.806 1.00 0.00 O ATOM 489 OE2 GLU A 32 -7.516 16.798 1.877 1.00 0.00 O ATOM 0 H GLU A 32 -9.079 12.958 1.735 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.146 13.701 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.471 15.170 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.838 13.538 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.017 14.687 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.826 14.349 2.311 1.00 0.00 H new ATOM 686 N PHE A 46 -4.449 11.526 4.181 1.00 0.00 N ATOM 687 CA PHE A 46 -4.670 10.447 3.225 1.00 0.00 C ATOM 688 C PHE A 46 -4.293 9.098 3.830 1.00 0.00 C ATOM 689 O PHE A 46 -3.203 8.934 4.380 1.00 0.00 O ATOM 690 CB PHE A 46 -3.860 10.692 1.950 1.00 0.00 C ATOM 691 CG PHE A 46 -4.493 10.114 0.717 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.838 10.314 0.454 1.00 0.00 C ATOM 693 CD2 PHE A 46 -3.742 9.370 -0.179 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.423 9.782 -0.679 1.00 0.00 C ATOM 695 CE2 PHE A 46 -4.322 8.836 -1.315 1.00 0.00 C ATOM 696 CZ PHE A 46 -5.664 9.043 -1.565 1.00 0.00 C ATOM 0 HA PHE A 46 -5.731 10.429 2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.730 11.765 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.865 10.263 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.436 10.892 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.692 9.205 0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.473 9.944 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.726 8.258 -2.006 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.119 8.628 -2.452 1.00 0.00 H new ATOM 706 N LYS A 47 -5.201 8.135 3.726 1.00 0.00 N ATOM 707 CA LYS A 47 -4.966 6.799 4.261 1.00 0.00 C ATOM 708 C LYS A 47 -5.588 5.735 3.362 1.00 0.00 C ATOM 709 O LYS A 47 -6.648 5.948 2.774 1.00 0.00 O ATOM 710 CB LYS A 47 -5.539 6.686 5.676 1.00 0.00 C ATOM 711 CG LYS A 47 -5.364 5.310 6.295 1.00 0.00 C ATOM 712 CD LYS A 47 -6.488 4.988 7.265 1.00 0.00 C ATOM 713 CE LYS A 47 -7.649 4.298 6.565 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.765 4.000 7.504 1.00 0.00 N ATOM 0 H LYS A 47 -6.108 8.254 3.275 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.889 6.634 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.057 7.426 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.601 6.931 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.335 4.557 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.408 5.263 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.110 4.347 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.839 5.907 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.014 4.932 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.300 3.371 6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.575 3.624 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.452 3.296 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.048 4.872 7.995 1.00 0.00 H new ATOM 728 N VAL A 48 -4.923 4.589 3.262 1.00 0.00 N ATOM 729 CA VAL A 48 -5.413 3.490 2.438 1.00 0.00 C ATOM 730 C VAL A 48 -5.285 2.157 3.166 1.00 0.00 C ATOM 731 O VAL A 48 -4.236 1.842 3.728 1.00 0.00 O ATOM 732 CB VAL A 48 -4.650 3.408 1.102 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.010 2.131 0.359 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.940 4.632 0.247 1.00 0.00 C ATOM 0 H VAL A 48 -4.043 4.397 3.741 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.465 3.690 2.236 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.581 3.387 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.461 2.091 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.746 1.268 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.081 2.118 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.393 4.557 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.009 4.687 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.626 5.530 0.779 1.00 0.00 H new ATOM 744 N VAL A 49 -6.361 1.376 3.152 1.00 0.00 N ATOM 745 CA VAL A 49 -6.370 0.075 3.810 1.00 0.00 C ATOM 746 C VAL A 49 -6.286 -1.056 2.791 1.00 0.00 C ATOM 747 O VAL A 49 -7.197 -1.249 1.985 1.00 0.00 O ATOM 748 CB VAL A 49 -7.637 -0.112 4.666 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.579 -1.430 5.424 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.810 1.057 5.624 1.00 0.00 C ATOM 0 H VAL A 49 -7.238 1.622 2.692 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.495 0.041 4.459 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.502 -0.139 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.482 -1.545 6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.506 -2.255 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.707 -1.436 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.710 0.908 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.944 1.119 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.900 1.983 5.056 1.00 0.00 H new ATOM 760 N LEU A 50 -5.188 -1.802 2.834 1.00 0.00 N ATOM 761 CA LEU A 50 -4.984 -2.916 1.914 1.00 0.00 C ATOM 762 C LEU A 50 -4.511 -4.159 2.662 1.00 0.00 C ATOM 763 O LEU A 50 -3.370 -4.223 3.121 1.00 0.00 O ATOM 764 CB LEU A 50 -3.966 -2.536 0.838 1.00 0.00 C ATOM 765 CG LEU A 50 -3.781 -3.543 -0.297 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.389 -2.832 -1.583 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.736 -4.584 0.079 1.00 0.00 C ATOM 0 H LEU A 50 -4.425 -1.656 3.496 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.938 -3.141 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.265 -1.581 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.000 -2.380 1.319 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.730 -4.053 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.262 -3.565 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.171 -2.126 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.453 -2.295 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.617 -5.293 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.784 -4.090 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.058 -5.116 0.975 1.00 0.00 H new ATOM 779 N VAL A 51 -5.394 -5.146 2.777 1.00 0.00 N ATOM 780 CA VAL A 51 -5.065 -6.389 3.466 1.00 0.00 C ATOM 781 C VAL A 51 -4.601 -7.456 2.481 1.00 0.00 C ATOM 782 O VAL A 51 -5.336 -7.837 1.570 1.00 0.00 O ATOM 783 CB VAL A 51 -6.271 -6.927 4.258 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.912 -8.229 4.958 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.756 -5.890 5.259 1.00 0.00 C ATOM 0 H VAL A 51 -6.342 -5.109 2.402 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.256 -6.162 4.160 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.082 -7.130 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.776 -8.594 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.617 -8.971 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.085 -8.056 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.609 -6.287 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.952 -5.653 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.055 -4.985 4.730 1.00 0.00 H new ATOM 795 N SER A 52 -3.375 -7.935 2.671 1.00 0.00 N ATOM 796 CA SER A 52 -2.811 -8.957 1.797 1.00 0.00 C ATOM 797 C SER A 52 -1.660 -9.685 2.486 1.00 0.00 C ATOM 798 O SER A 52 -0.804 -9.061 3.113 1.00 0.00 O ATOM 799 CB SER A 52 -2.323 -8.328 0.491 1.00 0.00 C ATOM 800 OG SER A 52 -1.893 -9.321 -0.424 1.00 0.00 O ATOM 0 H SER A 52 -2.754 -7.632 3.422 1.00 0.00 H new ATOM 0 HA SER A 52 -3.594 -9.681 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.125 -7.741 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.503 -7.641 0.699 1.00 0.00 H new ATOM 0 HG SER A 52 -1.588 -8.893 -1.251 1.00 0.00 H new ATOM 806 N ASP A 53 -1.647 -11.007 2.363 1.00 0.00 N ATOM 807 CA ASP A 53 -0.602 -11.821 2.972 1.00 0.00 C ATOM 808 C ASP A 53 0.767 -11.468 2.397 1.00 0.00 C ATOM 809 O ASP A 53 1.774 -11.493 3.105 1.00 0.00 O ATOM 810 CB ASP A 53 -0.891 -13.307 2.754 1.00 0.00 C ATOM 811 CG ASP A 53 -1.503 -13.585 1.395 1.00 0.00 C ATOM 812 OD1 ASP A 53 -0.740 -13.694 0.412 1.00 0.00 O ATOM 813 OD2 ASP A 53 -2.744 -13.694 1.315 1.00 0.00 O ATOM 0 H ASP A 53 -2.348 -11.538 1.847 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.592 -11.613 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.035 -13.873 2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.567 -13.661 3.533 1.00 0.00 H new ATOM 818 N ARG A 54 0.795 -11.139 1.110 1.00 0.00 N ATOM 819 CA ARG A 54 2.040 -10.782 0.440 1.00 0.00 C ATOM 820 C ARG A 54 2.911 -9.910 1.339 1.00 0.00 C ATOM 821 O ARG A 54 4.133 -9.873 1.191 1.00 0.00 O ATOM 822 CB ARG A 54 1.747 -10.049 -0.870 1.00 0.00 C ATOM 823 CG ARG A 54 1.370 -10.975 -2.015 1.00 0.00 C ATOM 824 CD ARG A 54 2.583 -11.722 -2.550 1.00 0.00 C ATOM 825 NE ARG A 54 2.908 -12.890 -1.736 1.00 0.00 N ATOM 826 CZ ARG A 54 2.288 -14.060 -1.849 1.00 0.00 C ATOM 827 NH1 ARG A 54 1.316 -14.216 -2.736 1.00 0.00 N ATOM 828 NH2 ARG A 54 2.641 -15.076 -1.072 1.00 0.00 N ATOM 0 H ARG A 54 -0.030 -11.112 0.510 1.00 0.00 H new ATOM 0 HA ARG A 54 2.582 -11.702 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.936 -9.339 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.625 -9.470 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.622 -11.691 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.915 -10.396 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.392 -12.037 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.440 -11.049 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 54 3.651 -12.803 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.042 -13.437 -3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.842 -15.115 -2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.388 -14.959 -0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.165 -15.974 -1.159 1.00 0.00 H new ATOM 842 N PHE A 55 2.274 -9.210 2.272 1.00 0.00 N ATOM 843 CA PHE A 55 2.991 -8.337 3.195 1.00 0.00 C ATOM 844 C PHE A 55 3.409 -9.098 4.450 1.00 0.00 C ATOM 845 O PHE A 55 3.433 -8.542 5.548 1.00 0.00 O ATOM 846 CB PHE A 55 2.119 -7.139 3.577 1.00 0.00 C ATOM 847 CG PHE A 55 1.800 -6.236 2.420 1.00 0.00 C ATOM 848 CD1 PHE A 55 0.807 -6.574 1.514 1.00 0.00 C ATOM 849 CD2 PHE A 55 2.491 -5.049 2.239 1.00 0.00 C ATOM 850 CE1 PHE A 55 0.512 -5.745 0.448 1.00 0.00 C ATOM 851 CE2 PHE A 55 2.201 -4.216 1.175 1.00 0.00 C ATOM 852 CZ PHE A 55 1.209 -4.564 0.279 1.00 0.00 C ATOM 0 H PHE A 55 1.263 -9.230 2.409 1.00 0.00 H new ATOM 0 HA PHE A 55 3.890 -7.978 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.188 -7.502 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.627 -6.561 4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.258 -7.495 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.266 -4.771 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.263 -6.020 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.749 -3.295 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.979 -3.914 -0.552 1.00 0.00 H new ATOM 961 N ASN A 62 10.587 -1.604 0.855 1.00 0.00 N ATOM 962 CA ASN A 62 9.759 -2.334 -0.097 1.00 0.00 C ATOM 963 C ASN A 62 8.276 -2.124 0.197 1.00 0.00 C ATOM 964 O ASN A 62 7.463 -1.995 -0.718 1.00 0.00 O ATOM 965 CB ASN A 62 10.092 -3.827 -0.055 1.00 0.00 C ATOM 966 CG ASN A 62 9.181 -4.648 -0.948 1.00 0.00 C ATOM 967 OD1 ASN A 62 9.159 -4.468 -2.165 1.00 0.00 O ATOM 968 ND2 ASN A 62 8.424 -5.556 -0.343 1.00 0.00 N ATOM 0 HA ASN A 62 9.971 -1.949 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.127 -3.974 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.010 -4.186 0.971 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.791 -6.139 -0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.476 -5.670 0.669 1.00 0.00 H new ATOM 975 N ARG A 63 7.933 -2.091 1.481 1.00 0.00 N ATOM 976 CA ARG A 63 6.549 -1.897 1.896 1.00 0.00 C ATOM 977 C ARG A 63 5.855 -0.865 1.013 1.00 0.00 C ATOM 978 O ARG A 63 4.799 -1.133 0.439 1.00 0.00 O ATOM 979 CB ARG A 63 6.491 -1.453 3.359 1.00 0.00 C ATOM 980 CG ARG A 63 5.078 -1.364 3.913 1.00 0.00 C ATOM 981 CD ARG A 63 5.058 -1.555 5.421 1.00 0.00 C ATOM 982 NE ARG A 63 3.902 -0.911 6.039 1.00 0.00 N ATOM 983 CZ ARG A 63 3.388 -1.286 7.205 1.00 0.00 C ATOM 984 NH1 ARG A 63 3.925 -2.295 7.876 1.00 0.00 N ATOM 985 NH2 ARG A 63 2.334 -0.650 7.702 1.00 0.00 N ATOM 0 H ARG A 63 8.594 -2.196 2.251 1.00 0.00 H new ATOM 0 HA ARG A 63 6.028 -2.849 1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.066 -2.153 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.971 -0.479 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.648 -0.394 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.453 -2.122 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.046 -2.620 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.973 -1.147 5.850 1.00 0.00 H new ATOM 0 HE ARG A 63 3.465 -0.131 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.735 -2.786 7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.528 -2.581 8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.918 0.127 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.940 -0.938 8.597 1.00 0.00 H new ATOM 999 N HIS A 64 6.456 0.317 0.908 1.00 0.00 N ATOM 1000 CA HIS A 64 5.896 1.390 0.094 1.00 0.00 C ATOM 1001 C HIS A 64 6.237 1.188 -1.379 1.00 0.00 C ATOM 1002 O HIS A 64 5.355 1.206 -2.238 1.00 0.00 O ATOM 1003 CB HIS A 64 6.419 2.745 0.570 1.00 0.00 C ATOM 1004 CG HIS A 64 6.372 2.917 2.057 1.00 0.00 C ATOM 1005 ND1 HIS A 64 7.348 3.581 2.769 1.00 0.00 N ATOM 1006 CD2 HIS A 64 5.457 2.508 2.967 1.00 0.00 C ATOM 1007 CE1 HIS A 64 7.037 3.571 4.053 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.894 2.927 4.200 1.00 0.00 N ATOM 0 H HIS A 64 7.330 0.555 1.376 1.00 0.00 H new ATOM 0 HA HIS A 64 4.812 1.369 0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.448 2.868 0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.833 3.536 0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.552 1.955 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.619 4.014 4.847 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.413 2.767 5.085 1.00 0.00 H new ATOM 1017 N ARG A 65 7.521 0.998 -1.664 1.00 0.00 N ATOM 1018 CA ARG A 65 7.978 0.796 -3.033 1.00 0.00 C ATOM 1019 C ARG A 65 6.947 0.012 -3.840 1.00 0.00 C ATOM 1020 O ARG A 65 6.602 0.391 -4.959 1.00 0.00 O ATOM 1021 CB ARG A 65 9.318 0.057 -3.043 1.00 0.00 C ATOM 1022 CG ARG A 65 10.402 0.752 -2.236 1.00 0.00 C ATOM 1023 CD ARG A 65 11.714 -0.016 -2.288 1.00 0.00 C ATOM 1024 NE ARG A 65 12.252 -0.089 -3.643 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.988 0.869 -4.195 1.00 0.00 C ATOM 1026 NH1 ARG A 65 13.272 1.968 -3.510 1.00 0.00 N ATOM 1027 NH2 ARG A 65 13.442 0.729 -5.434 1.00 0.00 N ATOM 0 H ARG A 65 8.263 0.980 -0.965 1.00 0.00 H new ATOM 0 HA ARG A 65 8.108 1.775 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.172 -0.949 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.656 -0.051 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.554 1.760 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.078 0.852 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.442 0.465 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.559 -1.025 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 65 12.052 -0.922 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.925 2.079 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.837 2.702 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.226 -0.115 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.007 1.466 -5.856 1.00 0.00 H new ATOM 1041 N MET A 66 6.460 -1.082 -3.265 1.00 0.00 N ATOM 1042 CA MET A 66 5.468 -1.918 -3.931 1.00 0.00 C ATOM 1043 C MET A 66 4.257 -1.093 -4.353 1.00 0.00 C ATOM 1044 O MET A 66 3.883 -1.079 -5.526 1.00 0.00 O ATOM 1045 CB MET A 66 5.028 -3.057 -3.008 1.00 0.00 C ATOM 1046 CG MET A 66 6.108 -4.100 -2.772 1.00 0.00 C ATOM 1047 SD MET A 66 5.432 -5.744 -2.473 1.00 0.00 S ATOM 1048 CE MET A 66 4.879 -5.580 -0.777 1.00 0.00 C ATOM 0 H MET A 66 6.736 -1.411 -2.340 1.00 0.00 H new ATOM 0 HA MET A 66 5.926 -2.341 -4.825 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.722 -2.639 -2.049 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.152 -3.544 -3.437 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.769 -4.135 -3.638 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.716 -3.801 -1.918 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.102 -6.318 -0.575 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.720 -5.744 -0.103 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.478 -4.579 -0.620 1.00 0.00 H new ATOM 1058 N ILE A 67 3.648 -0.409 -3.391 1.00 0.00 N ATOM 1059 CA ILE A 67 2.480 0.419 -3.665 1.00 0.00 C ATOM 1060 C ILE A 67 2.852 1.634 -4.508 1.00 0.00 C ATOM 1061 O ILE A 67 2.396 1.779 -5.642 1.00 0.00 O ATOM 1062 CB ILE A 67 1.811 0.897 -2.363 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.511 -0.294 -1.450 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.536 1.667 -2.674 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.517 -1.271 -2.039 1.00 0.00 C ATOM 0 H ILE A 67 3.944 -0.412 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 67 1.776 -0.202 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 67 2.498 1.565 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.441 -0.820 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.126 0.075 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.075 1.998 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.776 2.534 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.157 1.021 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.352 -2.089 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.427 -0.760 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.909 -1.669 -2.975 1.00 0.00 H new ATOM 1077 N TYR A 68 3.685 2.504 -3.947 1.00 0.00 N ATOM 1078 CA TYR A 68 4.119 3.707 -4.647 1.00 0.00 C ATOM 1079 C TYR A 68 4.437 3.403 -6.107 1.00 0.00 C ATOM 1080 O TYR A 68 3.952 4.079 -7.014 1.00 0.00 O ATOM 1081 CB TYR A 68 5.346 4.307 -3.959 1.00 0.00 C ATOM 1082 CG TYR A 68 5.006 5.283 -2.856 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.223 4.896 -1.776 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.469 6.593 -2.893 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.909 5.784 -0.766 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.161 7.488 -1.887 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.380 7.079 -0.826 1.00 0.00 C ATOM 1088 OH TYR A 68 4.071 7.967 0.179 1.00 0.00 O ATOM 0 H TYR A 68 4.073 2.398 -3.010 1.00 0.00 H new ATOM 0 HA TYR A 68 3.304 4.430 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.951 3.500 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.959 4.814 -4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.853 3.883 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.080 6.917 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.298 5.466 0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.530 8.502 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 68 4.481 8.836 -0.015 1.00 0.00 H new ATOM 1098 N SER A 69 5.256 2.379 -6.327 1.00 0.00 N ATOM 1099 CA SER A 69 5.644 1.986 -7.676 1.00 0.00 C ATOM 1100 C SER A 69 4.445 2.028 -8.619 1.00 0.00 C ATOM 1101 O SER A 69 4.534 2.545 -9.734 1.00 0.00 O ATOM 1102 CB SER A 69 6.250 0.581 -7.667 1.00 0.00 C ATOM 1103 OG SER A 69 6.448 0.102 -8.986 1.00 0.00 O ATOM 0 H SER A 69 5.664 1.807 -5.588 1.00 0.00 H new ATOM 0 HA SER A 69 6.392 2.694 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.201 0.595 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.592 -0.099 -7.125 1.00 0.00 H new ATOM 0 HG SER A 69 6.837 -0.797 -8.953 1.00 0.00 H new ATOM 1109 N THR A 70 3.323 1.480 -8.165 1.00 0.00 N ATOM 1110 CA THR A 70 2.106 1.453 -8.967 1.00 0.00 C ATOM 1111 C THR A 70 1.669 2.862 -9.350 1.00 0.00 C ATOM 1112 O THR A 70 1.543 3.184 -10.532 1.00 0.00 O ATOM 1113 CB THR A 70 0.954 0.757 -8.217 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.323 -0.588 -7.893 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.314 0.752 -9.058 1.00 0.00 C ATOM 0 H THR A 70 3.231 1.048 -7.245 1.00 0.00 H new ATOM 0 HA THR A 70 2.335 0.888 -9.870 1.00 0.00 H new ATOM 0 HB THR A 70 0.760 1.311 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.586 -1.023 -7.415 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.113 0.255 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.608 1.778 -9.279 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.130 0.219 -9.991 1.00 0.00 H new ATOM 1123 N LEU A 71 1.440 3.700 -8.344 1.00 0.00 N ATOM 1124 CA LEU A 71 1.017 5.076 -8.576 1.00 0.00 C ATOM 1125 C LEU A 71 2.182 6.043 -8.389 1.00 0.00 C ATOM 1126 O LEU A 71 2.011 7.143 -7.866 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.125 5.447 -7.628 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.195 4.376 -7.416 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -0.827 3.479 -6.244 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.556 5.019 -7.190 1.00 0.00 C ATOM 0 H LEU A 71 1.540 3.450 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 71 0.666 5.153 -9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.303 5.702 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.610 6.346 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.250 3.762 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.600 2.723 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.127 2.991 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.744 4.080 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.305 4.242 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.515 5.657 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.824 5.619 -8.060 1.00 0.00 H new ATOM 1142 N ALA A 72 3.367 5.624 -8.823 1.00 0.00 N ATOM 1143 CA ALA A 72 4.560 6.454 -8.707 1.00 0.00 C ATOM 1144 C ALA A 72 4.257 7.903 -9.071 1.00 0.00 C ATOM 1145 O ALA A 72 4.338 8.794 -8.226 1.00 0.00 O ATOM 1146 CB ALA A 72 5.671 5.906 -9.590 1.00 0.00 C ATOM 0 H ALA A 72 3.526 4.715 -9.258 1.00 0.00 H new ATOM 0 HA ALA A 72 4.891 6.430 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.556 6.535 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.913 4.889 -9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.341 5.900 -10.629 1.00 0.00 H new ATOM 1152 N GLU A 73 3.911 8.132 -10.334 1.00 0.00 N ATOM 1153 CA GLU A 73 3.598 9.475 -10.808 1.00 0.00 C ATOM 1154 C GLU A 73 2.130 9.811 -10.563 1.00 0.00 C ATOM 1155 O GLU A 73 1.804 10.892 -10.075 1.00 0.00 O ATOM 1156 CB GLU A 73 3.920 9.601 -12.299 1.00 0.00 C ATOM 1157 CG GLU A 73 5.390 9.400 -12.624 1.00 0.00 C ATOM 1158 CD GLU A 73 6.247 10.576 -12.198 1.00 0.00 C ATOM 1159 OE1 GLU A 73 6.325 11.561 -12.962 1.00 0.00 O ATOM 1160 OE2 GLU A 73 6.840 10.512 -11.101 1.00 0.00 O ATOM 0 H GLU A 73 3.840 7.406 -11.047 1.00 0.00 H new ATOM 0 HA GLU A 73 4.212 10.182 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.331 8.869 -12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.611 10.587 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.747 8.497 -12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.503 9.242 -13.697 1.00 0.00 H new ATOM 1167 N GLU A 74 1.250 8.876 -10.906 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.183 9.073 -10.725 1.00 0.00 C ATOM 1169 C GLU A 74 -0.467 9.857 -9.447 1.00 0.00 C ATOM 1170 O GLU A 74 -1.112 10.906 -9.478 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.905 7.725 -10.679 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.730 6.898 -11.942 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.081 7.670 -13.199 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.045 8.463 -13.157 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -0.392 7.482 -14.223 1.00 0.00 O ATOM 0 H GLU A 74 1.504 7.975 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.554 9.647 -11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.537 7.154 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.968 7.897 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.303 6.555 -12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.357 6.009 -11.879 1.00 0.00 H new ATOM 1182 N LEU A 75 0.019 9.341 -8.323 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.182 9.992 -7.033 1.00 0.00 C ATOM 1184 C LEU A 75 0.621 11.286 -6.945 1.00 0.00 C ATOM 1185 O LEU A 75 0.145 12.289 -6.414 1.00 0.00 O ATOM 1186 CB LEU A 75 0.220 9.050 -5.897 1.00 0.00 C ATOM 1187 CG LEU A 75 1.718 8.945 -5.610 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.153 10.029 -4.636 1.00 0.00 C ATOM 1189 CD2 LEU A 75 2.062 7.566 -5.065 1.00 0.00 C ATOM 0 H LEU A 75 0.555 8.474 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.240 10.236 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.282 9.377 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.156 8.053 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 75 2.258 9.089 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.222 9.938 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.943 11.009 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.606 9.918 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.132 7.510 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.512 7.393 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.788 6.807 -5.798 1.00 0.00 H new ATOM 1201 N SER A 76 1.842 11.256 -7.470 1.00 0.00 N ATOM 1202 CA SER A 76 2.712 12.425 -7.450 1.00 0.00 C ATOM 1203 C SER A 76 1.969 13.664 -7.942 1.00 0.00 C ATOM 1204 O SER A 76 2.201 14.774 -7.462 1.00 0.00 O ATOM 1205 CB SER A 76 3.950 12.182 -8.315 1.00 0.00 C ATOM 1206 OG SER A 76 4.774 13.333 -8.361 1.00 0.00 O ATOM 0 H SER A 76 2.251 10.434 -7.915 1.00 0.00 H new ATOM 0 HA SER A 76 3.026 12.595 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.517 11.341 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.644 11.910 -9.325 1.00 0.00 H new ATOM 0 HG SER A 76 5.559 13.151 -8.919 1.00 0.00 H new ATOM 1212 N THR A 77 1.075 13.466 -8.905 1.00 0.00 N ATOM 1213 CA THR A 77 0.298 14.565 -9.465 1.00 0.00 C ATOM 1214 C THR A 77 -0.079 15.576 -8.389 1.00 0.00 C ATOM 1215 O THR A 77 0.404 16.709 -8.389 1.00 0.00 O ATOM 1216 CB THR A 77 -0.986 14.055 -10.147 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.653 13.125 -11.184 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.782 15.211 -10.733 1.00 0.00 C ATOM 0 H THR A 77 0.871 12.554 -9.314 1.00 0.00 H new ATOM 0 HA THR A 77 0.928 15.050 -10.210 1.00 0.00 H new ATOM 0 HB THR A 77 -1.598 13.557 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.732 12.210 -10.841 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.684 14.827 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.058 15.903 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.175 15.733 -11.473 1.00 0.00 H new ATOM 1226 N THR A 78 -0.945 15.160 -7.470 1.00 0.00 N ATOM 1227 CA THR A 78 -1.388 16.029 -6.387 1.00 0.00 C ATOM 1228 C THR A 78 -1.039 15.435 -5.027 1.00 0.00 C ATOM 1229 O THR A 78 -0.853 16.162 -4.051 1.00 0.00 O ATOM 1230 CB THR A 78 -2.906 16.279 -6.452 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.306 17.146 -5.385 1.00 0.00 O ATOM 1232 CG2 THR A 78 -3.674 14.968 -6.361 1.00 0.00 C ATOM 0 H THR A 78 -1.354 14.226 -7.454 1.00 0.00 H new ATOM 0 HA THR A 78 -0.866 16.978 -6.510 1.00 0.00 H new ATOM 0 HB THR A 78 -3.134 16.751 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.272 17.301 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.744 15.169 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.389 14.321 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.440 14.474 -5.418 1.00 0.00 H new ATOM 1240 N VAL A 79 -0.951 14.110 -4.971 1.00 0.00 N ATOM 1241 CA VAL A 79 -0.622 13.418 -3.730 1.00 0.00 C ATOM 1242 C VAL A 79 0.884 13.395 -3.496 1.00 0.00 C ATOM 1243 O VAL A 79 1.664 13.183 -4.425 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.152 11.972 -3.736 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -0.812 11.273 -2.429 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -2.653 11.957 -3.984 1.00 0.00 C ATOM 0 H VAL A 79 -1.103 13.494 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.104 13.970 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.667 11.429 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.195 10.253 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.270 11.252 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.267 11.813 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.011 10.928 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.158 12.516 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.867 12.417 -4.949 1.00 0.00 H new ATOM 1256 N HIS A 80 1.287 13.613 -2.248 1.00 0.00 N ATOM 1257 CA HIS A 80 2.702 13.616 -1.892 1.00 0.00 C ATOM 1258 C HIS A 80 2.984 12.606 -0.783 1.00 0.00 C ATOM 1259 O HIS A 80 3.879 11.771 -0.906 1.00 0.00 O ATOM 1260 CB HIS A 80 3.134 15.014 -1.446 1.00 0.00 C ATOM 1261 CG HIS A 80 4.566 15.088 -1.014 1.00 0.00 C ATOM 1262 ND1 HIS A 80 4.952 15.509 0.241 1.00 0.00 N ATOM 1263 CD2 HIS A 80 5.708 14.789 -1.677 1.00 0.00 C ATOM 1264 CE1 HIS A 80 6.270 15.469 0.331 1.00 0.00 C ATOM 1265 NE2 HIS A 80 6.752 15.035 -0.820 1.00 0.00 N ATOM 0 H HIS A 80 0.655 13.790 -1.467 1.00 0.00 H new ATOM 0 HA HIS A 80 3.275 13.331 -2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.974 15.714 -2.266 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.497 15.337 -0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.784 14.425 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.853 15.744 1.197 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.740 14.904 -1.037 1.00 0.00 H new ATOM 1274 N ALA A 81 2.216 12.690 0.297 1.00 0.00 N ATOM 1275 CA ALA A 81 2.383 11.783 1.426 1.00 0.00 C ATOM 1276 C ALA A 81 1.125 10.952 1.653 1.00 0.00 C ATOM 1277 O ALA A 81 0.010 11.410 1.398 1.00 0.00 O ATOM 1278 CB ALA A 81 2.735 12.565 2.683 1.00 0.00 C ATOM 0 H ALA A 81 1.471 13.377 0.415 1.00 0.00 H new ATOM 0 HA ALA A 81 3.201 11.101 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.857 11.875 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.665 13.110 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.935 13.270 2.909 1.00 0.00 H new ATOM 1284 N LEU A 82 1.310 9.726 2.132 1.00 0.00 N ATOM 1285 CA LEU A 82 0.189 8.830 2.393 1.00 0.00 C ATOM 1286 C LEU A 82 0.542 7.820 3.480 1.00 0.00 C ATOM 1287 O LEU A 82 1.690 7.392 3.595 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.212 8.097 1.111 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.065 6.841 1.295 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.442 7.204 1.828 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.183 6.080 -0.018 1.00 0.00 C ATOM 0 H LEU A 82 2.225 9.330 2.347 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.652 9.431 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.758 8.793 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.696 7.820 0.575 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.575 6.196 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.035 6.298 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.339 7.705 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.941 7.870 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.793 5.189 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.650 6.718 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.190 5.787 -0.359 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.455 7.441 4.274 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.251 6.478 5.349 1.00 0.00 C ATOM 1305 C ALA A 83 -0.771 5.099 4.957 1.00 0.00 C ATOM 1306 O ALA A 83 -1.943 4.783 5.168 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.930 6.957 6.623 1.00 0.00 C ATOM 0 H ALA A 83 -1.411 7.786 4.193 1.00 0.00 H new ATOM 0 HA ALA A 83 0.821 6.396 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.769 6.228 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.509 7.917 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.999 7.070 6.445 1.00 0.00 H new ATOM 1313 N LEU A 84 0.106 4.282 4.384 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.265 2.936 3.961 1.00 0.00 C ATOM 1315 C LEU A 84 -0.412 2.009 5.163 1.00 0.00 C ATOM 1316 O LEU A 84 0.564 1.706 5.850 1.00 0.00 O ATOM 1317 CB LEU A 84 0.781 2.376 2.996 1.00 0.00 C ATOM 1318 CG LEU A 84 0.947 3.129 1.675 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.195 2.659 0.945 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.285 2.948 0.800 1.00 0.00 C ATOM 0 H LEU A 84 1.079 4.528 4.202 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.226 2.995 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.744 2.360 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.522 1.341 2.771 1.00 0.00 H new ATOM 0 HG LEU A 84 1.059 4.191 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.296 3.206 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.071 2.841 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.114 1.592 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.150 3.490 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.428 1.888 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.161 3.335 1.320 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.638 1.559 5.411 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.912 0.663 6.529 1.00 0.00 C ATOM 1334 C HIS A 85 -2.165 -0.759 6.037 1.00 0.00 C ATOM 1335 O HIS A 85 -3.312 -1.196 5.928 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.119 1.161 7.325 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.759 2.117 8.421 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.669 1.941 9.247 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.352 3.266 8.823 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.608 2.938 10.111 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.618 3.756 9.875 1.00 0.00 N ATOM 0 H HIS A 85 -2.457 1.800 4.853 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.036 0.654 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.818 1.648 6.644 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.638 0.305 7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.237 3.714 8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.860 3.063 10.880 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.820 4.613 10.391 1.00 0.00 H new ATOM 1350 N THR A 86 -1.087 -1.478 5.739 1.00 0.00 N ATOM 1351 CA THR A 86 -1.192 -2.849 5.256 1.00 0.00 C ATOM 1352 C THR A 86 -1.282 -3.834 6.415 1.00 0.00 C ATOM 1353 O THR A 86 -0.422 -3.852 7.296 1.00 0.00 O ATOM 1354 CB THR A 86 0.010 -3.226 4.369 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.220 -3.159 5.130 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.108 -2.297 3.168 1.00 0.00 C ATOM 0 H THR A 86 -0.131 -1.133 5.824 1.00 0.00 H new ATOM 0 HA THR A 86 -2.104 -2.906 4.662 1.00 0.00 H new ATOM 0 HB THR A 86 -0.137 -4.245 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.011 -3.240 6.084 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.964 -2.582 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.803 -2.372 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.234 -1.270 3.512 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.328 -4.654 6.409 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.531 -5.642 7.462 1.00 0.00 C ATOM 1366 C TYR A 87 -2.636 -7.047 6.877 1.00 0.00 C ATOM 1367 O TYR A 87 -3.019 -7.225 5.720 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.794 -5.314 8.261 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.565 -4.313 9.371 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.949 -3.094 9.117 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.965 -4.587 10.673 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.737 -2.177 10.128 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.759 -3.675 11.690 1.00 0.00 C ATOM 1374 CZ TYR A 87 -3.144 -2.471 11.412 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.936 -1.561 12.423 1.00 0.00 O ATOM 0 H TYR A 87 -3.048 -4.654 5.687 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.669 -5.609 8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.552 -4.924 7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.192 -6.234 8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.630 -2.859 8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.445 -5.529 10.894 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.255 -1.235 9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.077 -3.903 12.697 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.282 -1.923 13.265 1.00 0.00 H new ATOM 1385 N THR A 88 -2.293 -8.045 7.686 1.00 0.00 N ATOM 1386 CA THR A 88 -2.347 -9.435 7.251 1.00 0.00 C ATOM 1387 C THR A 88 -3.644 -10.100 7.698 1.00 0.00 C ATOM 1388 O THR A 88 -4.121 -9.868 8.809 1.00 0.00 O ATOM 1389 CB THR A 88 -1.155 -10.241 7.798 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.051 -10.064 9.215 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.143 -9.808 7.132 1.00 0.00 C ATOM 0 H THR A 88 -1.975 -7.916 8.646 1.00 0.00 H new ATOM 0 HA THR A 88 -2.302 -9.428 6.162 1.00 0.00 H new ATOM 0 HB THR A 88 -1.326 -11.294 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.291 -10.582 9.554 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.971 -10.392 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.073 -9.972 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.316 -8.750 7.327 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.209 -10.929 6.826 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.450 -11.629 7.133 1.00 0.00 C ATOM 1401 C ILE A 89 -5.468 -12.108 8.581 1.00 0.00 C ATOM 1402 O ILE A 89 -6.503 -12.073 9.245 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.659 -12.838 6.202 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.756 -12.377 4.746 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.909 -13.607 6.604 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.415 -12.282 4.051 1.00 0.00 C ATOM 0 H ILE A 89 -3.827 -11.132 5.902 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.260 -10.917 6.978 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.801 -13.503 6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.393 -13.070 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.243 -11.402 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.043 -14.458 5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.804 -13.963 7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.777 -12.952 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.561 -11.950 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.782 -11.567 4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.935 -13.261 4.051 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.313 -12.554 9.065 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.194 -13.037 10.435 1.00 0.00 C ATOM 1420 C LYS A 90 -4.490 -11.923 11.433 1.00 0.00 C ATOM 1421 O LYS A 90 -5.305 -12.090 12.339 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.790 -13.596 10.680 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.482 -14.844 9.871 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.135 -16.076 10.477 1.00 0.00 C ATOM 1425 CE LYS A 90 -3.415 -17.134 9.421 1.00 0.00 C ATOM 1426 NZ LYS A 90 -4.747 -16.943 8.783 1.00 0.00 N ATOM 0 H LYS A 90 -3.446 -12.591 8.528 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.926 -13.832 10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.055 -12.827 10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.679 -13.824 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.833 -14.711 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.403 -14.990 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.485 -16.492 11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.067 -15.792 10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.638 -17.099 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.369 -18.123 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.900 -17.684 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.491 -17.002 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.782 -16.010 8.326 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.823 -10.786 11.259 1.00 0.00 N ATOM 1441 CA GLU A 91 -4.017 -9.644 12.145 1.00 0.00 C ATOM 1442 C GLU A 91 -5.480 -9.212 12.164 1.00 0.00 C ATOM 1443 O GLU A 91 -6.099 -9.125 13.224 1.00 0.00 O ATOM 1444 CB GLU A 91 -3.134 -8.474 11.706 1.00 0.00 C ATOM 1445 CG GLU A 91 -1.722 -8.535 12.263 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.921 -7.284 11.959 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.537 -6.208 11.808 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.321 -7.380 11.873 1.00 0.00 O ATOM 0 H GLU A 91 -3.144 -10.631 10.513 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.733 -9.947 13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.086 -8.455 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.600 -7.540 12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.767 -8.680 13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.208 -9.401 11.846 1.00 0.00 H new ATOM 1455 N TRP A 92 -6.027 -8.943 10.983 1.00 0.00 N ATOM 1456 CA TRP A 92 -7.417 -8.519 10.864 1.00 0.00 C ATOM 1457 C TRP A 92 -8.359 -9.578 11.427 1.00 0.00 C ATOM 1458 O TRP A 92 -9.291 -9.261 12.166 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.762 -8.239 9.400 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.816 -7.187 9.229 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.936 -7.268 8.453 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.845 -5.895 9.847 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.661 -6.104 8.551 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -10.013 -5.247 9.401 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -8.000 -5.225 10.735 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -10.354 -3.961 9.812 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -8.339 -3.949 11.142 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -9.508 -3.328 10.682 1.00 0.00 C ATOM 0 H TRP A 92 -5.529 -9.011 10.095 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.543 -7.603 11.442 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.859 -7.927 8.875 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.101 -9.163 8.931 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -10.212 -8.121 7.851 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.539 -5.910 8.069 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -7.098 -5.696 11.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -11.254 -3.480 9.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.692 -3.421 11.827 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.746 -2.330 11.021 1.00 0.00 H new ATOM 1479 N GLU A 93 -8.109 -10.835 11.074 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.937 -11.939 11.545 1.00 0.00 C ATOM 1481 C GLU A 93 -9.361 -11.720 12.995 1.00 0.00 C ATOM 1482 O GLU A 93 -10.508 -11.975 13.362 1.00 0.00 O ATOM 1483 CB GLU A 93 -8.181 -13.263 11.418 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.402 -13.965 10.089 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.670 -14.796 10.072 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -10.769 -14.203 10.096 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.563 -16.040 10.035 1.00 0.00 O ATOM 0 H GLU A 93 -7.341 -11.114 10.464 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.832 -11.979 10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.115 -13.077 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.490 -13.927 12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.449 -13.222 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.548 -14.608 9.875 1.00 0.00 H new ATOM 1494 N GLY A 94 -8.427 -11.247 13.814 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.723 -11.003 15.214 1.00 0.00 C ATOM 1496 C GLY A 94 -7.778 -9.996 15.839 1.00 0.00 C ATOM 1497 O GLY A 94 -7.005 -10.332 16.737 1.00 0.00 O ATOM 0 H GLY A 94 -7.471 -11.028 13.534 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.747 -10.643 15.308 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.664 -11.942 15.764 1.00 0.00 H new