USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) 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+ 175:sc= -0.263 (180deg=-0.289) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00477 X(o=-0.0048,f=-0.31) USER MOD Single : A 64 HIS : no HD1:sc= -1.85 K(o=-1.9,f=-4!) USER MOD Single : A 66 MET CE :methyl 174:sc= -3.78! (180deg=-3.88!) 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 153:sc= 0.00689 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 100:sc= 0.218 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= -1.46 K(o=-1.5,f=-0.17) USER MOD Single : A 86 THR OG1 : rot 27:sc= 0.243 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 172:sc= 0.83 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.990 11.617 -9.608 1.00 0.00 N ATOM 84 CA MET A 9 -11.684 11.527 -8.185 1.00 0.00 C ATOM 85 C MET A 9 -10.455 10.654 -7.947 1.00 0.00 C ATOM 86 O MET A 9 -10.426 9.488 -8.341 1.00 0.00 O ATOM 87 CB MET A 9 -12.881 10.962 -7.419 1.00 0.00 C ATOM 88 CG MET A 9 -14.141 11.802 -7.555 1.00 0.00 C ATOM 89 SD MET A 9 -14.274 13.066 -6.276 1.00 0.00 S ATOM 90 CE MET A 9 -15.403 12.274 -5.133 1.00 0.00 C ATOM 0 HA MET A 9 -11.470 12.532 -7.821 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.087 9.953 -7.776 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.621 10.880 -6.364 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.151 12.280 -8.535 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.014 11.151 -7.509 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.585 12.934 -4.285 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.346 12.065 -5.639 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.967 11.340 -4.779 1.00 0.00 H new ATOM 100 N ILE A 10 -9.444 11.226 -7.303 1.00 0.00 N ATOM 101 CA ILE A 10 -8.215 10.499 -7.013 1.00 0.00 C ATOM 102 C ILE A 10 -8.505 9.211 -6.250 1.00 0.00 C ATOM 103 O ILE A 10 -8.060 8.132 -6.643 1.00 0.00 O ATOM 104 CB ILE A 10 -7.233 11.357 -6.193 1.00 0.00 C ATOM 105 CG1 ILE A 10 -6.954 12.679 -6.912 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.938 10.596 -5.951 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.034 12.536 -8.104 1.00 0.00 C ATOM 0 H ILE A 10 -9.452 12.191 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.759 10.256 -7.973 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.687 11.579 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.899 13.110 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.513 13.382 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.255 11.216 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.152 9.679 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.478 10.347 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.881 13.512 -8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.075 12.134 -7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.483 11.858 -8.831 1.00 0.00 H new ATOM 119 N ARG A 11 -9.254 9.331 -5.159 1.00 0.00 N ATOM 120 CA ARG A 11 -9.605 8.176 -4.342 1.00 0.00 C ATOM 121 C ARG A 11 -9.902 6.961 -5.216 1.00 0.00 C ATOM 122 O ARG A 11 -9.341 5.885 -5.010 1.00 0.00 O ATOM 123 CB ARG A 11 -10.816 8.494 -3.464 1.00 0.00 C ATOM 124 CG ARG A 11 -10.936 7.597 -2.243 1.00 0.00 C ATOM 125 CD ARG A 11 -12.132 7.981 -1.385 1.00 0.00 C ATOM 126 NE ARG A 11 -13.364 7.348 -1.849 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.732 6.118 -1.509 1.00 0.00 C ATOM 128 NH1 ARG A 11 -12.967 5.392 -0.705 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.868 5.613 -1.972 1.00 0.00 N ATOM 0 H ARG A 11 -9.630 10.217 -4.820 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.753 7.943 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.754 9.532 -3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.722 8.402 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.033 6.559 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.024 7.665 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.944 7.693 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.254 9.064 -1.397 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.975 7.880 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.094 5.778 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.252 4.448 -0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.459 6.169 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.150 4.668 -1.711 1.00 0.00 H new ATOM 143 N GLU A 12 -10.787 7.142 -6.191 1.00 0.00 N ATOM 144 CA GLU A 12 -11.158 6.060 -7.095 1.00 0.00 C ATOM 145 C GLU A 12 -9.956 5.597 -7.913 1.00 0.00 C ATOM 146 O GLU A 12 -9.554 4.436 -7.841 1.00 0.00 O ATOM 147 CB GLU A 12 -12.282 6.511 -8.031 1.00 0.00 C ATOM 148 CG GLU A 12 -13.588 6.811 -7.314 1.00 0.00 C ATOM 149 CD GLU A 12 -14.684 7.259 -8.261 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.493 8.284 -8.948 1.00 0.00 O ATOM 151 OE2 GLU A 12 -15.733 6.584 -8.314 1.00 0.00 O ATOM 0 H GLU A 12 -11.260 8.027 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.510 5.222 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.960 7.402 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.456 5.735 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.917 5.920 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.418 7.587 -6.568 1.00 0.00 H new ATOM 158 N ARG A 13 -9.388 6.513 -8.689 1.00 0.00 N ATOM 159 CA ARG A 13 -8.233 6.199 -9.522 1.00 0.00 C ATOM 160 C ARG A 13 -7.236 5.329 -8.763 1.00 0.00 C ATOM 161 O ARG A 13 -6.713 4.352 -9.302 1.00 0.00 O ATOM 162 CB ARG A 13 -7.550 7.486 -9.990 1.00 0.00 C ATOM 163 CG ARG A 13 -8.155 8.070 -11.256 1.00 0.00 C ATOM 164 CD ARG A 13 -7.191 9.022 -11.946 1.00 0.00 C ATOM 165 NE ARG A 13 -7.655 9.402 -13.278 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.475 8.654 -14.360 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.845 7.491 -14.269 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.927 9.068 -15.537 1.00 0.00 N ATOM 0 H ARG A 13 -9.708 7.479 -8.759 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.584 5.645 -10.392 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.608 8.228 -9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.493 7.285 -10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.422 7.263 -11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.076 8.598 -11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.067 9.917 -11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.211 8.552 -12.024 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.144 10.291 -13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.497 7.169 -13.366 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.708 6.919 -15.102 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.413 9.962 -15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.788 8.493 -16.368 1.00 0.00 H new ATOM 182 N ILE A 14 -6.977 5.690 -7.511 1.00 0.00 N ATOM 183 CA ILE A 14 -6.043 4.941 -6.678 1.00 0.00 C ATOM 184 C ILE A 14 -6.470 3.483 -6.548 1.00 0.00 C ATOM 185 O ILE A 14 -5.762 2.578 -6.988 1.00 0.00 O ATOM 186 CB ILE A 14 -5.925 5.558 -5.272 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.393 6.989 -5.361 1.00 0.00 C ATOM 188 CG2 ILE A 14 -5.020 4.705 -4.394 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.367 7.709 -4.031 1.00 0.00 C ATOM 0 H ILE A 14 -7.400 6.496 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.071 4.989 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.917 5.587 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.384 6.968 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.010 7.555 -6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.946 5.154 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.437 3.702 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.028 4.648 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.978 8.718 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.378 7.762 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.726 7.166 -3.336 1.00 0.00 H new ATOM 201 N GLU A 15 -7.632 3.264 -5.941 1.00 0.00 N ATOM 202 CA GLU A 15 -8.154 1.915 -5.754 1.00 0.00 C ATOM 203 C GLU A 15 -8.329 1.209 -7.095 1.00 0.00 C ATOM 204 O GLU A 15 -7.729 0.163 -7.340 1.00 0.00 O ATOM 205 CB GLU A 15 -9.490 1.960 -5.010 1.00 0.00 C ATOM 206 CG GLU A 15 -9.343 2.092 -3.503 1.00 0.00 C ATOM 207 CD GLU A 15 -10.653 2.428 -2.817 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.180 3.536 -3.051 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.152 1.581 -2.046 1.00 0.00 O ATOM 0 H GLU A 15 -8.230 4.003 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.434 1.353 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.077 2.799 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.052 1.053 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.953 1.159 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.611 2.868 -3.280 1.00 0.00 H new ATOM 216 N GLU A 16 -9.156 1.789 -7.959 1.00 0.00 N ATOM 217 CA GLU A 16 -9.412 1.215 -9.275 1.00 0.00 C ATOM 218 C GLU A 16 -8.155 0.552 -9.833 1.00 0.00 C ATOM 219 O GLU A 16 -8.226 -0.489 -10.486 1.00 0.00 O ATOM 220 CB GLU A 16 -9.904 2.295 -10.241 1.00 0.00 C ATOM 221 CG GLU A 16 -11.318 2.769 -9.955 1.00 0.00 C ATOM 222 CD GLU A 16 -11.705 3.982 -10.778 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.979 4.997 -10.718 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.734 3.916 -11.483 1.00 0.00 O ATOM 0 H GLU A 16 -9.660 2.656 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.186 0.455 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.227 3.148 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.859 1.908 -11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.017 1.958 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.409 3.009 -8.896 1.00 0.00 H new ATOM 231 N LYS A 17 -7.005 1.164 -9.571 1.00 0.00 N ATOM 232 CA LYS A 17 -5.732 0.635 -10.044 1.00 0.00 C ATOM 233 C LYS A 17 -5.295 -0.563 -9.207 1.00 0.00 C ATOM 234 O LYS A 17 -5.076 -1.655 -9.733 1.00 0.00 O ATOM 235 CB LYS A 17 -4.656 1.722 -9.999 1.00 0.00 C ATOM 236 CG LYS A 17 -4.720 2.690 -11.168 1.00 0.00 C ATOM 237 CD LYS A 17 -4.098 2.094 -12.420 1.00 0.00 C ATOM 238 CE LYS A 17 -4.552 2.830 -13.672 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.661 2.551 -14.832 1.00 0.00 N ATOM 0 H LYS A 17 -6.929 2.027 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.865 0.306 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.755 2.282 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.674 1.249 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.759 2.954 -11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.201 3.612 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.012 2.138 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.370 1.041 -12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.572 2.534 -13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.570 3.902 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.003 3.070 -15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.693 2.857 -14.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.664 1.531 -15.035 1.00 0.00 H new ATOM 253 N LEU A 18 -5.170 -0.352 -7.901 1.00 0.00 N ATOM 254 CA LEU A 18 -4.761 -1.415 -6.990 1.00 0.00 C ATOM 255 C LEU A 18 -5.546 -2.695 -7.258 1.00 0.00 C ATOM 256 O LEU A 18 -4.984 -3.790 -7.260 1.00 0.00 O ATOM 257 CB LEU A 18 -4.962 -0.975 -5.538 1.00 0.00 C ATOM 258 CG LEU A 18 -4.327 0.360 -5.148 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.919 0.872 -3.844 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.816 0.218 -5.030 1.00 0.00 C ATOM 0 H LEU A 18 -5.346 0.546 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.703 -1.617 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.033 -0.916 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.560 -1.750 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.544 1.086 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.455 1.823 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.993 1.013 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.734 0.147 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.381 1.178 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.579 -0.523 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.405 -0.103 -5.987 1.00 0.00 H new ATOM 272 N ARG A 19 -6.847 -2.548 -7.486 1.00 0.00 N ATOM 273 CA ARG A 19 -7.709 -3.692 -7.757 1.00 0.00 C ATOM 274 C ARG A 19 -7.005 -4.701 -8.661 1.00 0.00 C ATOM 275 O ARG A 19 -6.866 -5.872 -8.311 1.00 0.00 O ATOM 276 CB ARG A 19 -9.014 -3.232 -8.408 1.00 0.00 C ATOM 277 CG ARG A 19 -10.009 -2.638 -7.424 1.00 0.00 C ATOM 278 CD ARG A 19 -11.422 -2.647 -7.986 1.00 0.00 C ATOM 279 NE ARG A 19 -12.009 -3.984 -7.970 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.569 -4.528 -6.895 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.618 -3.852 -5.756 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.082 -5.750 -6.959 1.00 0.00 N ATOM 0 H ARG A 19 -7.327 -1.648 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.936 -4.177 -6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.786 -2.491 -9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.477 -4.080 -8.913 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.983 -3.204 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.718 -1.615 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.048 -1.970 -7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.408 -2.270 -9.008 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.988 -4.530 -8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.225 -2.912 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.048 -4.272 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.047 -6.273 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.512 -6.167 -6.133 1.00 0.00 H new ATOM 296 N ALA A 20 -6.564 -4.237 -9.826 1.00 0.00 N ATOM 297 CA ALA A 20 -5.875 -5.097 -10.779 1.00 0.00 C ATOM 298 C ALA A 20 -4.367 -5.074 -10.549 1.00 0.00 C ATOM 299 O ALA A 20 -3.649 -5.973 -10.986 1.00 0.00 O ATOM 300 CB ALA A 20 -6.199 -4.673 -12.204 1.00 0.00 C ATOM 0 H ALA A 20 -6.672 -3.270 -10.132 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.225 -6.118 -10.627 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.677 -5.324 -12.905 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.274 -4.748 -12.370 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.879 -3.643 -12.359 1.00 0.00 H new ATOM 306 N ALA A 21 -3.894 -4.040 -9.861 1.00 0.00 N ATOM 307 CA ALA A 21 -2.473 -3.901 -9.572 1.00 0.00 C ATOM 308 C ALA A 21 -1.949 -5.105 -8.797 1.00 0.00 C ATOM 309 O ALA A 21 -0.975 -5.741 -9.200 1.00 0.00 O ATOM 310 CB ALA A 21 -2.215 -2.618 -8.795 1.00 0.00 C ATOM 0 H ALA A 21 -4.475 -3.286 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.938 -3.852 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.149 -2.527 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.543 -1.763 -9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.768 -2.644 -7.856 1.00 0.00 H new ATOM 316 N PHE A 22 -2.602 -5.414 -7.681 1.00 0.00 N ATOM 317 CA PHE A 22 -2.201 -6.541 -6.848 1.00 0.00 C ATOM 318 C PHE A 22 -3.343 -7.543 -6.703 1.00 0.00 C ATOM 319 O PHE A 22 -3.118 -8.752 -6.655 1.00 0.00 O ATOM 320 CB PHE A 22 -1.760 -6.051 -5.467 1.00 0.00 C ATOM 321 CG PHE A 22 -0.584 -5.118 -5.510 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.700 -5.608 -5.687 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.762 -3.751 -5.373 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.785 -4.752 -5.728 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.319 -2.890 -5.414 1.00 0.00 C ATOM 326 CZ PHE A 22 1.594 -3.392 -5.590 1.00 0.00 C ATOM 0 H PHE A 22 -3.411 -4.899 -7.333 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.362 -7.039 -7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.597 -5.546 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.508 -6.912 -4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.855 -6.671 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.756 -3.353 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.780 -5.147 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.167 -1.826 -5.309 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.440 -2.721 -5.620 1.00 0.00 H new ATOM 336 N GLN A 23 -4.567 -7.031 -6.634 1.00 0.00 N ATOM 337 CA GLN A 23 -5.744 -7.880 -6.493 1.00 0.00 C ATOM 338 C GLN A 23 -5.791 -8.521 -5.110 1.00 0.00 C ATOM 339 O GLN A 23 -5.939 -9.735 -4.966 1.00 0.00 O ATOM 340 CB GLN A 23 -5.748 -8.965 -7.571 1.00 0.00 C ATOM 341 CG GLN A 23 -5.465 -8.436 -8.968 1.00 0.00 C ATOM 342 CD GLN A 23 -5.363 -9.540 -10.001 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.369 -10.126 -10.403 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.143 -9.832 -10.438 1.00 0.00 N ATOM 0 H GLN A 23 -4.770 -6.032 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.628 -7.254 -6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.002 -9.719 -7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.717 -9.463 -7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.256 -7.745 -9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.535 -7.868 -8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.337 -9.321 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.013 -10.567 -11.133 1.00 0.00 H new ATOM 353 N PRO A 24 -5.661 -7.688 -4.067 1.00 0.00 N ATOM 354 CA PRO A 24 -5.685 -8.151 -2.676 1.00 0.00 C ATOM 355 C PRO A 24 -7.069 -8.629 -2.248 1.00 0.00 C ATOM 356 O PRO A 24 -7.936 -8.881 -3.085 1.00 0.00 O ATOM 357 CB PRO A 24 -5.279 -6.908 -1.881 1.00 0.00 C ATOM 358 CG PRO A 24 -5.667 -5.760 -2.748 1.00 0.00 C ATOM 359 CD PRO A 24 -5.481 -6.230 -4.164 1.00 0.00 C ATOM 0 HA PRO A 24 -5.028 -9.007 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.791 -6.869 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.209 -6.903 -1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.701 -5.466 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.047 -4.888 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.211 -5.779 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.494 -5.972 -4.546 1.00 0.00 H new ATOM 367 N VAL A 25 -7.270 -8.750 -0.940 1.00 0.00 N ATOM 368 CA VAL A 25 -8.549 -9.196 -0.401 1.00 0.00 C ATOM 369 C VAL A 25 -9.359 -8.020 0.134 1.00 0.00 C ATOM 370 O VAL A 25 -10.583 -7.986 0.003 1.00 0.00 O ATOM 371 CB VAL A 25 -8.354 -10.226 0.727 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.612 -11.449 0.211 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.614 -9.599 1.899 1.00 0.00 C ATOM 0 H VAL A 25 -6.563 -8.545 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.092 -9.665 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.336 -10.547 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.484 -12.166 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.185 -11.910 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.634 -11.149 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.485 -10.341 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.637 -9.249 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.189 -8.757 2.284 1.00 0.00 H new ATOM 383 N PHE A 26 -8.669 -7.058 0.737 1.00 0.00 N ATOM 384 CA PHE A 26 -9.325 -5.880 1.292 1.00 0.00 C ATOM 385 C PHE A 26 -8.847 -4.611 0.593 1.00 0.00 C ATOM 386 O PHE A 26 -7.722 -4.549 0.094 1.00 0.00 O ATOM 387 CB PHE A 26 -9.054 -5.781 2.795 1.00 0.00 C ATOM 388 CG PHE A 26 -9.985 -4.845 3.511 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.299 -5.209 3.760 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.547 -3.600 3.934 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.158 -4.350 4.419 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.402 -2.737 4.594 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.709 -3.112 4.836 1.00 0.00 C ATOM 0 H PHE A 26 -7.656 -7.071 0.854 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.398 -5.981 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.138 -6.774 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.027 -5.449 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.656 -6.175 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.526 -3.301 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.179 -4.646 4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.048 -1.770 4.920 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.379 -2.439 5.350 1.00 0.00 H new ATOM 403 N LEU A 27 -9.708 -3.601 0.560 1.00 0.00 N ATOM 404 CA LEU A 27 -9.376 -2.332 -0.079 1.00 0.00 C ATOM 405 C LEU A 27 -10.283 -1.214 0.426 1.00 0.00 C ATOM 406 O LEU A 27 -11.506 -1.348 0.427 1.00 0.00 O ATOM 407 CB LEU A 27 -9.497 -2.456 -1.599 1.00 0.00 C ATOM 408 CG LEU A 27 -8.574 -1.556 -2.421 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.121 -1.964 -2.229 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.953 -1.608 -3.894 1.00 0.00 C ATOM 0 H LEU A 27 -10.642 -3.635 0.968 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.346 -2.083 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.302 -3.492 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.528 -2.240 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.692 -0.530 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.479 -1.312 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.854 -1.876 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.987 -2.996 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.286 -0.962 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.864 -2.632 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.981 -1.268 -4.017 1.00 0.00 H new ATOM 422 N GLU A 28 -9.674 -0.111 0.851 1.00 0.00 N ATOM 423 CA GLU A 28 -10.428 1.030 1.357 1.00 0.00 C ATOM 424 C GLU A 28 -9.524 2.247 1.525 1.00 0.00 C ATOM 425 O GLU A 28 -8.504 2.187 2.211 1.00 0.00 O ATOM 426 CB GLU A 28 -11.088 0.682 2.692 1.00 0.00 C ATOM 427 CG GLU A 28 -12.140 1.687 3.131 1.00 0.00 C ATOM 428 CD GLU A 28 -11.561 2.809 3.970 1.00 0.00 C ATOM 429 OE1 GLU A 28 -10.337 3.043 3.884 1.00 0.00 O ATOM 430 OE2 GLU A 28 -12.331 3.454 4.713 1.00 0.00 O ATOM 0 H GLU A 28 -8.662 0.016 0.855 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.203 1.272 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.549 -0.303 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.319 0.614 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.623 2.109 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.912 1.172 3.703 1.00 0.00 H new ATOM 437 N VAL A 29 -9.906 3.353 0.893 1.00 0.00 N ATOM 438 CA VAL A 29 -9.131 4.585 0.973 1.00 0.00 C ATOM 439 C VAL A 29 -9.899 5.670 1.720 1.00 0.00 C ATOM 440 O VAL A 29 -11.114 5.802 1.568 1.00 0.00 O ATOM 441 CB VAL A 29 -8.760 5.107 -0.428 1.00 0.00 C ATOM 442 CG1 VAL A 29 -7.988 6.414 -0.324 1.00 0.00 C ATOM 443 CG2 VAL A 29 -7.956 4.063 -1.189 1.00 0.00 C ATOM 0 H VAL A 29 -10.747 3.420 0.320 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.217 4.349 1.519 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.680 5.299 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.735 6.767 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.602 7.160 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.073 6.252 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.702 4.448 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.041 3.838 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.548 3.154 -1.295 1.00 0.00 H new ATOM 453 N VAL A 30 -9.183 6.446 2.527 1.00 0.00 N ATOM 454 CA VAL A 30 -9.796 7.521 3.298 1.00 0.00 C ATOM 455 C VAL A 30 -9.350 8.886 2.787 1.00 0.00 C ATOM 456 O VAL A 30 -8.288 9.384 3.163 1.00 0.00 O ATOM 457 CB VAL A 30 -9.452 7.407 4.794 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.000 8.600 5.561 1.00 0.00 C ATOM 459 CG2 VAL A 30 -9.988 6.103 5.366 1.00 0.00 C ATOM 0 H VAL A 30 -8.177 6.350 2.664 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.875 7.424 3.174 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.367 7.405 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.747 8.501 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.563 9.518 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.084 8.637 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.736 6.039 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.071 6.072 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.542 5.262 4.835 1.00 0.00 H new ATOM 469 N ASP A 31 -10.167 9.488 1.930 1.00 0.00 N ATOM 470 CA ASP A 31 -9.857 10.798 1.369 1.00 0.00 C ATOM 471 C ASP A 31 -10.532 11.906 2.171 1.00 0.00 C ATOM 472 O ASP A 31 -11.665 11.753 2.626 1.00 0.00 O ATOM 473 CB ASP A 31 -10.300 10.867 -0.094 1.00 0.00 C ATOM 474 CG ASP A 31 -10.157 12.259 -0.676 1.00 0.00 C ATOM 475 OD1 ASP A 31 -11.113 13.053 -0.556 1.00 0.00 O ATOM 476 OD2 ASP A 31 -9.089 12.554 -1.253 1.00 0.00 O ATOM 0 H ASP A 31 -11.049 9.090 1.608 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.778 10.943 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.708 10.167 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.340 10.549 -0.171 1.00 0.00 H new ATOM 481 N GLU A 32 -9.827 13.020 2.340 1.00 0.00 N ATOM 482 CA GLU A 32 -10.358 14.153 3.089 1.00 0.00 C ATOM 483 C GLU A 32 -10.488 15.383 2.196 1.00 0.00 C ATOM 484 O GLU A 32 -9.525 15.803 1.555 1.00 0.00 O ATOM 485 CB GLU A 32 -9.457 14.470 4.285 1.00 0.00 C ATOM 486 CG GLU A 32 -8.148 15.138 3.900 1.00 0.00 C ATOM 487 CD GLU A 32 -8.260 16.649 3.838 1.00 0.00 C ATOM 488 OE1 GLU A 32 -8.976 17.225 4.684 1.00 0.00 O ATOM 489 OE2 GLU A 32 -7.633 17.255 2.945 1.00 0.00 O ATOM 0 H GLU A 32 -8.888 13.162 1.969 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.350 13.883 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.997 15.119 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.240 13.546 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.379 14.864 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.824 14.761 2.930 1.00 0.00 H new ATOM 686 N PHE A 46 -3.912 11.827 4.244 1.00 0.00 N ATOM 687 CA PHE A 46 -4.344 10.755 3.356 1.00 0.00 C ATOM 688 C PHE A 46 -3.974 9.390 3.929 1.00 0.00 C ATOM 689 O PHE A 46 -2.894 9.212 4.492 1.00 0.00 O ATOM 690 CB PHE A 46 -3.716 10.926 1.971 1.00 0.00 C ATOM 691 CG PHE A 46 -4.554 10.365 0.859 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.912 10.634 0.793 1.00 0.00 C ATOM 693 CD2 PHE A 46 -3.985 9.569 -0.122 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.686 10.118 -0.229 1.00 0.00 C ATOM 695 CE2 PHE A 46 -4.754 9.051 -1.148 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.106 9.327 -1.201 1.00 0.00 C ATOM 0 HA PHE A 46 -5.429 10.809 3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.545 11.987 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.741 10.440 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.371 11.254 1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.928 9.350 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.744 10.333 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.298 8.432 -1.906 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.709 8.925 -2.002 1.00 0.00 H new ATOM 706 N LYS A 47 -4.880 8.429 3.784 1.00 0.00 N ATOM 707 CA LYS A 47 -4.651 7.079 4.286 1.00 0.00 C ATOM 708 C LYS A 47 -5.280 6.041 3.362 1.00 0.00 C ATOM 709 O LYS A 47 -6.326 6.283 2.761 1.00 0.00 O ATOM 710 CB LYS A 47 -5.223 6.934 5.698 1.00 0.00 C ATOM 711 CG LYS A 47 -5.021 5.553 6.297 1.00 0.00 C ATOM 712 CD LYS A 47 -6.130 5.202 7.275 1.00 0.00 C ATOM 713 CE LYS A 47 -7.290 4.509 6.576 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.387 4.170 7.524 1.00 0.00 N ATOM 0 H LYS A 47 -5.780 8.560 3.323 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.575 6.907 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.757 7.674 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.289 7.158 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.989 4.811 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.059 5.514 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.735 4.554 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.487 6.109 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.678 5.155 5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.932 3.599 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.192 3.777 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.047 3.467 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.689 5.029 8.027 1.00 0.00 H new ATOM 728 N VAL A 48 -4.636 4.883 3.256 1.00 0.00 N ATOM 729 CA VAL A 48 -5.134 3.807 2.407 1.00 0.00 C ATOM 730 C VAL A 48 -4.957 2.450 3.080 1.00 0.00 C ATOM 731 O VAL A 48 -3.935 2.189 3.715 1.00 0.00 O ATOM 732 CB VAL A 48 -4.418 3.789 1.044 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.794 2.542 0.259 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.748 5.046 0.253 1.00 0.00 C ATOM 0 H VAL A 48 -3.769 4.666 3.747 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.196 3.995 2.248 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.342 3.768 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.278 2.547 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.503 1.656 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.871 2.528 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.234 5.017 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.824 5.099 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.423 5.923 0.812 1.00 0.00 H new ATOM 744 N VAL A 49 -5.959 1.588 2.936 1.00 0.00 N ATOM 745 CA VAL A 49 -5.913 0.257 3.528 1.00 0.00 C ATOM 746 C VAL A 49 -5.867 -0.822 2.451 1.00 0.00 C ATOM 747 O VAL A 49 -6.650 -0.800 1.501 1.00 0.00 O ATOM 748 CB VAL A 49 -7.129 0.006 4.439 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.066 -1.389 5.042 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.205 1.064 5.529 1.00 0.00 C ATOM 0 H VAL A 49 -6.812 1.788 2.414 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.004 0.208 4.127 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.034 0.074 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.933 -1.548 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.064 -2.131 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.155 -1.489 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.070 0.871 6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.298 1.031 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.302 2.049 5.073 1.00 0.00 H new ATOM 760 N LEU A 50 -4.945 -1.766 2.606 1.00 0.00 N ATOM 761 CA LEU A 50 -4.796 -2.855 1.648 1.00 0.00 C ATOM 762 C LEU A 50 -4.205 -4.092 2.316 1.00 0.00 C ATOM 763 O LEU A 50 -3.018 -4.127 2.641 1.00 0.00 O ATOM 764 CB LEU A 50 -3.908 -2.417 0.482 1.00 0.00 C ATOM 765 CG LEU A 50 -3.708 -3.445 -0.632 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.261 -2.761 -1.915 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.697 -4.501 -0.209 1.00 0.00 C ATOM 0 H LEU A 50 -4.289 -1.799 3.387 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.785 -3.109 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.336 -1.515 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.930 -2.146 0.879 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.662 -3.938 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.124 -3.508 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.019 -2.043 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.319 -2.241 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.568 -5.224 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.741 -4.024 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.057 -5.013 0.684 1.00 0.00 H new ATOM 779 N VAL A 51 -5.040 -5.106 2.517 1.00 0.00 N ATOM 780 CA VAL A 51 -4.600 -6.347 3.144 1.00 0.00 C ATOM 781 C VAL A 51 -4.139 -7.357 2.099 1.00 0.00 C ATOM 782 O VAL A 51 -4.857 -7.647 1.142 1.00 0.00 O ATOM 783 CB VAL A 51 -5.721 -6.976 3.992 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.257 -8.292 4.598 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.175 -6.011 5.076 1.00 0.00 C ATOM 0 H VAL A 51 -6.026 -5.093 2.255 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.763 -6.094 3.794 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.572 -7.182 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.062 -8.722 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.986 -8.984 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.390 -8.114 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.967 -6.472 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.333 -5.771 5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.550 -5.097 4.616 1.00 0.00 H new ATOM 795 N SER A 52 -2.937 -7.890 2.290 1.00 0.00 N ATOM 796 CA SER A 52 -2.378 -8.867 1.361 1.00 0.00 C ATOM 797 C SER A 52 -1.324 -9.729 2.050 1.00 0.00 C ATOM 798 O SER A 52 -0.608 -9.264 2.936 1.00 0.00 O ATOM 799 CB SER A 52 -1.764 -8.159 0.152 1.00 0.00 C ATOM 800 OG SER A 52 -1.465 -9.081 -0.881 1.00 0.00 O ATOM 0 H SER A 52 -2.331 -7.663 3.079 1.00 0.00 H new ATOM 0 HA SER A 52 -3.187 -9.514 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.455 -7.403 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.855 -7.639 0.454 1.00 0.00 H new ATOM 0 HG SER A 52 -1.075 -8.604 -1.643 1.00 0.00 H new ATOM 806 N ASP A 53 -1.236 -10.988 1.635 1.00 0.00 N ATOM 807 CA ASP A 53 -0.270 -11.917 2.209 1.00 0.00 C ATOM 808 C ASP A 53 1.155 -11.512 1.846 1.00 0.00 C ATOM 809 O ASP A 53 2.084 -11.698 2.632 1.00 0.00 O ATOM 810 CB ASP A 53 -0.548 -13.340 1.724 1.00 0.00 C ATOM 811 CG ASP A 53 -0.964 -13.385 0.267 1.00 0.00 C ATOM 812 OD1 ASP A 53 -2.170 -13.224 -0.011 1.00 0.00 O ATOM 813 OD2 ASP A 53 -0.082 -13.581 -0.596 1.00 0.00 O ATOM 0 H ASP A 53 -1.822 -11.389 0.903 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.373 -11.885 3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.345 -13.949 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.333 -13.782 2.337 1.00 0.00 H new ATOM 818 N ARG A 54 1.321 -10.958 0.649 1.00 0.00 N ATOM 819 CA ARG A 54 2.633 -10.530 0.180 1.00 0.00 C ATOM 820 C ARG A 54 3.367 -9.743 1.263 1.00 0.00 C ATOM 821 O ARG A 54 4.597 -9.694 1.283 1.00 0.00 O ATOM 822 CB ARG A 54 2.494 -9.674 -1.081 1.00 0.00 C ATOM 823 CG ARG A 54 2.312 -10.488 -2.352 1.00 0.00 C ATOM 824 CD ARG A 54 3.627 -11.093 -2.818 1.00 0.00 C ATOM 825 NE ARG A 54 3.432 -12.062 -3.893 1.00 0.00 N ATOM 826 CZ ARG A 54 4.387 -12.414 -4.747 1.00 0.00 C ATOM 827 NH1 ARG A 54 5.596 -11.879 -4.652 1.00 0.00 N ATOM 828 NH2 ARG A 54 4.132 -13.302 -5.699 1.00 0.00 N ATOM 0 H ARG A 54 0.563 -10.795 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 54 3.215 -11.421 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.642 -9.004 -0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.380 -9.048 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.587 -11.282 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.904 -9.852 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.290 -10.299 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.121 -11.579 -1.977 1.00 0.00 H new ATOM 0 HE ARG A 54 2.513 -12.492 -3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.795 -11.195 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.327 -12.151 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.202 -13.715 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.865 -13.572 -6.354 1.00 0.00 H new ATOM 842 N PHE A 55 2.604 -9.129 2.160 1.00 0.00 N ATOM 843 CA PHE A 55 3.181 -8.344 3.245 1.00 0.00 C ATOM 844 C PHE A 55 3.433 -9.214 4.472 1.00 0.00 C ATOM 845 O PHE A 55 3.337 -8.750 5.609 1.00 0.00 O ATOM 846 CB PHE A 55 2.254 -7.183 3.612 1.00 0.00 C ATOM 847 CG PHE A 55 1.903 -6.304 2.445 1.00 0.00 C ATOM 848 CD1 PHE A 55 2.826 -5.404 1.936 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.650 -6.378 1.857 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.506 -4.595 0.862 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.326 -5.572 0.783 1.00 0.00 C ATOM 852 CZ PHE A 55 1.254 -4.678 0.286 1.00 0.00 C ATOM 0 H PHE A 55 1.584 -9.160 2.157 1.00 0.00 H new ATOM 0 HA PHE A 55 4.135 -7.944 2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.337 -7.583 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.731 -6.577 4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.806 -5.334 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.081 -7.073 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.235 -3.899 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.653 -5.641 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.001 -4.045 -0.552 1.00 0.00 H new ATOM 961 N ASN A 62 9.432 -2.048 1.917 1.00 0.00 N ATOM 962 CA ASN A 62 8.974 -2.823 0.770 1.00 0.00 C ATOM 963 C ASN A 62 7.462 -2.704 0.602 1.00 0.00 C ATOM 964 O ASN A 62 6.927 -2.939 -0.482 1.00 0.00 O ATOM 965 CB ASN A 62 9.366 -4.293 0.932 1.00 0.00 C ATOM 966 CG ASN A 62 8.310 -5.096 1.667 1.00 0.00 C ATOM 967 OD1 ASN A 62 7.953 -4.780 2.803 1.00 0.00 O ATOM 968 ND2 ASN A 62 7.805 -6.140 1.022 1.00 0.00 N ATOM 0 HA ASN A 62 9.454 -2.422 -0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.533 -4.732 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.310 -4.357 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.091 -6.718 1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.130 -6.365 0.082 1.00 0.00 H new ATOM 975 N ARG A 63 6.779 -2.337 1.681 1.00 0.00 N ATOM 976 CA ARG A 63 5.329 -2.188 1.653 1.00 0.00 C ATOM 977 C ARG A 63 4.925 -0.960 0.842 1.00 0.00 C ATOM 978 O ARG A 63 3.839 -0.915 0.263 1.00 0.00 O ATOM 979 CB ARG A 63 4.779 -2.076 3.076 1.00 0.00 C ATOM 980 CG ARG A 63 4.893 -0.679 3.665 1.00 0.00 C ATOM 981 CD ARG A 63 4.707 -0.694 5.174 1.00 0.00 C ATOM 982 NE ARG A 63 4.659 0.655 5.733 1.00 0.00 N ATOM 983 CZ ARG A 63 4.076 0.950 6.890 1.00 0.00 C ATOM 984 NH1 ARG A 63 3.497 -0.002 7.607 1.00 0.00 N ATOM 985 NH2 ARG A 63 4.074 2.202 7.332 1.00 0.00 N ATOM 0 H ARG A 63 7.206 -2.137 2.585 1.00 0.00 H new ATOM 0 HA ARG A 63 4.907 -3.073 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.731 -2.377 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.312 -2.777 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.869 -0.259 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.144 -0.029 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.786 -1.222 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.525 -1.248 5.635 1.00 0.00 H new ATOM 0 HE ARG A 63 5.097 1.411 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.498 -0.965 7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.050 0.228 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.520 2.937 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.626 2.429 8.220 1.00 0.00 H new ATOM 999 N HIS A 64 5.805 0.035 0.805 1.00 0.00 N ATOM 1000 CA HIS A 64 5.540 1.264 0.065 1.00 0.00 C ATOM 1001 C HIS A 64 6.071 1.164 -1.362 1.00 0.00 C ATOM 1002 O HIS A 64 5.384 1.528 -2.317 1.00 0.00 O ATOM 1003 CB HIS A 64 6.175 2.459 0.775 1.00 0.00 C ATOM 1004 CG HIS A 64 7.581 2.737 0.339 1.00 0.00 C ATOM 1005 ND1 HIS A 64 7.891 3.343 -0.860 1.00 0.00 N ATOM 1006 CD2 HIS A 64 8.763 2.490 0.950 1.00 0.00 C ATOM 1007 CE1 HIS A 64 9.203 3.455 -0.968 1.00 0.00 C ATOM 1008 NE2 HIS A 64 9.755 2.945 0.118 1.00 0.00 N ATOM 0 H HIS A 64 6.708 0.015 1.279 1.00 0.00 H new ATOM 0 HA HIS A 64 4.460 1.408 0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.566 3.344 0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.165 2.279 1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.900 2.022 1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.734 3.890 -1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 64 10.756 2.897 0.308 1.00 0.00 H new ATOM 1017 N ARG A 65 7.296 0.668 -1.499 1.00 0.00 N ATOM 1018 CA ARG A 65 7.920 0.523 -2.809 1.00 0.00 C ATOM 1019 C ARG A 65 6.964 -0.143 -3.795 1.00 0.00 C ATOM 1020 O ARG A 65 6.870 0.263 -4.953 1.00 0.00 O ATOM 1021 CB ARG A 65 9.206 -0.298 -2.697 1.00 0.00 C ATOM 1022 CG ARG A 65 8.977 -1.800 -2.755 1.00 0.00 C ATOM 1023 CD ARG A 65 10.289 -2.558 -2.879 1.00 0.00 C ATOM 1024 NE ARG A 65 10.821 -2.514 -4.238 1.00 0.00 N ATOM 1025 CZ ARG A 65 11.704 -3.387 -4.711 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.151 -4.367 -3.938 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.141 -3.280 -5.959 1.00 0.00 N ATOM 0 H ARG A 65 7.876 0.360 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 65 8.163 1.519 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.882 -0.011 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.704 -0.051 -1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.452 -2.124 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.336 -2.039 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.019 -2.133 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.137 -3.596 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 65 10.497 -1.772 -4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.817 -4.452 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.829 -5.036 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.799 -2.527 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.819 -3.951 -6.321 1.00 0.00 H new ATOM 1041 N MET A 66 6.256 -1.166 -3.326 1.00 0.00 N ATOM 1042 CA MET A 66 5.307 -1.886 -4.167 1.00 0.00 C ATOM 1043 C MET A 66 4.122 -0.999 -4.532 1.00 0.00 C ATOM 1044 O MET A 66 3.773 -0.865 -5.706 1.00 0.00 O ATOM 1045 CB MET A 66 4.815 -3.146 -3.452 1.00 0.00 C ATOM 1046 CG MET A 66 5.886 -4.213 -3.293 1.00 0.00 C ATOM 1047 SD MET A 66 5.220 -5.788 -2.722 1.00 0.00 S ATOM 1048 CE MET A 66 4.670 -5.345 -1.076 1.00 0.00 C ATOM 0 H MET A 66 6.322 -1.514 -2.370 1.00 0.00 H new ATOM 0 HA MET A 66 5.818 -2.174 -5.086 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.439 -2.871 -2.467 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.976 -3.565 -4.008 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.390 -4.361 -4.248 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.639 -3.864 -2.586 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.138 -6.186 -0.632 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.533 -5.095 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.004 -4.484 -1.134 1.00 0.00 H new ATOM 1058 N ILE A 67 3.507 -0.395 -3.521 1.00 0.00 N ATOM 1059 CA ILE A 67 2.361 0.480 -3.737 1.00 0.00 C ATOM 1060 C ILE A 67 2.729 1.655 -4.636 1.00 0.00 C ATOM 1061 O ILE A 67 2.167 1.822 -5.719 1.00 0.00 O ATOM 1062 CB ILE A 67 1.807 1.021 -2.406 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.389 -0.136 -1.495 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.631 1.952 -2.661 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.165 -0.878 -1.984 1.00 0.00 C ATOM 0 H ILE A 67 3.783 -0.495 -2.544 1.00 0.00 H new ATOM 0 HA ILE A 67 1.593 -0.121 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 67 2.592 1.588 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.219 -0.838 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.194 0.252 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.250 2.326 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.957 2.790 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.159 1.407 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.073 -1.684 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.678 -0.190 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.363 -1.296 -2.971 1.00 0.00 H new ATOM 1077 N TYR A 68 3.677 2.467 -4.182 1.00 0.00 N ATOM 1078 CA TYR A 68 4.120 3.627 -4.945 1.00 0.00 C ATOM 1079 C TYR A 68 4.324 3.268 -6.414 1.00 0.00 C ATOM 1080 O TYR A 68 3.748 3.895 -7.303 1.00 0.00 O ATOM 1081 CB TYR A 68 5.420 4.183 -4.359 1.00 0.00 C ATOM 1082 CG TYR A 68 5.203 5.233 -3.293 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.463 4.950 -2.152 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.741 6.507 -3.427 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.262 5.907 -1.176 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.546 7.470 -2.455 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.806 7.165 -1.332 1.00 0.00 C ATOM 1088 OH TYR A 68 4.609 8.120 -0.361 1.00 0.00 O ATOM 0 H TYR A 68 4.154 2.343 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 68 3.344 4.390 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.998 3.362 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.017 4.612 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.038 3.965 -2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.321 6.749 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.682 5.671 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.971 8.456 -2.574 1.00 0.00 H new ATOM 0 HH TYR A 68 5.059 8.950 -0.623 1.00 0.00 H new ATOM 1098 N SER A 69 5.148 2.255 -6.660 1.00 0.00 N ATOM 1099 CA SER A 69 5.431 1.813 -8.020 1.00 0.00 C ATOM 1100 C SER A 69 4.185 1.915 -8.895 1.00 0.00 C ATOM 1101 O SER A 69 4.242 2.409 -10.022 1.00 0.00 O ATOM 1102 CB SER A 69 5.946 0.372 -8.014 1.00 0.00 C ATOM 1103 OG SER A 69 6.705 0.097 -9.179 1.00 0.00 O ATOM 0 H SER A 69 5.631 1.725 -5.935 1.00 0.00 H new ATOM 0 HA SER A 69 6.200 2.465 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.560 0.205 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.104 -0.318 -7.953 1.00 0.00 H new ATOM 0 HG SER A 69 7.024 -0.829 -9.150 1.00 0.00 H new ATOM 1109 N THR A 70 3.059 1.445 -8.368 1.00 0.00 N ATOM 1110 CA THR A 70 1.799 1.482 -9.099 1.00 0.00 C ATOM 1111 C THR A 70 1.372 2.917 -9.387 1.00 0.00 C ATOM 1112 O THR A 70 1.239 3.316 -10.545 1.00 0.00 O ATOM 1113 CB THR A 70 0.676 0.771 -8.321 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.096 -0.546 -7.949 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.593 0.687 -9.156 1.00 0.00 C ATOM 0 H THR A 70 2.994 1.034 -7.437 1.00 0.00 H new ATOM 0 HA THR A 70 1.965 0.959 -10.041 1.00 0.00 H new ATOM 0 HB THR A 70 0.463 1.351 -7.423 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.617 -0.826 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.371 0.181 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.927 1.692 -9.413 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.391 0.127 -10.069 1.00 0.00 H new ATOM 1123 N LEU A 71 1.159 3.690 -8.328 1.00 0.00 N ATOM 1124 CA LEU A 71 0.747 5.082 -8.467 1.00 0.00 C ATOM 1125 C LEU A 71 1.951 6.016 -8.392 1.00 0.00 C ATOM 1126 O LEU A 71 1.866 7.112 -7.839 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.264 5.447 -7.378 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.538 4.604 -7.337 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -2.130 4.599 -5.935 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.554 5.122 -8.344 1.00 0.00 C ATOM 0 H LEU A 71 1.265 3.376 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 71 0.278 5.200 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.231 5.369 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.547 6.491 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.281 3.579 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.037 3.994 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.406 4.180 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.372 5.620 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.454 4.509 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.807 6.156 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.130 5.073 -9.347 1.00 0.00 H new ATOM 1142 N ALA A 72 3.072 5.574 -8.954 1.00 0.00 N ATOM 1143 CA ALA A 72 4.292 6.372 -8.954 1.00 0.00 C ATOM 1144 C ALA A 72 3.982 7.850 -9.167 1.00 0.00 C ATOM 1145 O ALA A 72 4.178 8.669 -8.270 1.00 0.00 O ATOM 1146 CB ALA A 72 5.249 5.872 -10.027 1.00 0.00 C ATOM 0 H ALA A 72 3.160 4.668 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 72 4.767 6.264 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.156 6.477 -10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.505 4.831 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.773 5.950 -11.004 1.00 0.00 H new ATOM 1152 N GLU A 73 3.497 8.182 -10.359 1.00 0.00 N ATOM 1153 CA GLU A 73 3.162 9.563 -10.688 1.00 0.00 C ATOM 1154 C GLU A 73 1.703 9.862 -10.355 1.00 0.00 C ATOM 1155 O GLU A 73 1.378 10.941 -9.859 1.00 0.00 O ATOM 1156 CB GLU A 73 3.424 9.835 -12.171 1.00 0.00 C ATOM 1157 CG GLU A 73 4.878 10.144 -12.485 1.00 0.00 C ATOM 1158 CD GLU A 73 5.760 8.912 -12.436 1.00 0.00 C ATOM 1159 OE1 GLU A 73 5.233 7.796 -12.625 1.00 0.00 O ATOM 1160 OE2 GLU A 73 6.979 9.064 -12.208 1.00 0.00 O ATOM 0 H GLU A 73 3.327 7.515 -11.112 1.00 0.00 H new ATOM 0 HA GLU A 73 3.795 10.217 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.112 8.967 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.805 10.673 -12.493 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.944 10.594 -13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.251 10.881 -11.774 1.00 0.00 H new ATOM 1167 N GLU A 74 0.829 8.900 -10.632 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.595 9.061 -10.363 1.00 0.00 C ATOM 1169 C GLU A 74 -0.820 9.832 -9.066 1.00 0.00 C ATOM 1170 O GLU A 74 -1.535 10.835 -9.042 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.280 7.695 -10.283 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.250 6.921 -11.590 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.318 7.379 -12.564 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.574 8.599 -12.634 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -2.898 6.516 -13.256 1.00 0.00 O ATOM 0 H GLU A 74 1.082 8.001 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.031 9.630 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.797 7.101 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.317 7.835 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.269 7.034 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.384 5.859 -11.382 1.00 0.00 H new ATOM 1182 N LEU A 75 -0.205 9.357 -7.988 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.338 10.001 -6.686 1.00 0.00 C ATOM 1184 C LEU A 75 0.498 11.275 -6.620 1.00 0.00 C ATOM 1185 O LEU A 75 0.055 12.293 -6.089 1.00 0.00 O ATOM 1186 CB LEU A 75 0.089 9.040 -5.575 1.00 0.00 C ATOM 1187 CG LEU A 75 1.592 8.794 -5.440 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.234 9.869 -4.576 1.00 0.00 C ATOM 1189 CD2 LEU A 75 1.857 7.412 -4.860 1.00 0.00 C ATOM 0 H LEU A 75 0.390 8.529 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.385 10.268 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.282 9.426 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.402 8.081 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 75 2.038 8.841 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.304 9.677 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.076 10.846 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.783 9.855 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.932 7.255 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.397 7.336 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.432 6.654 -5.518 1.00 0.00 H new ATOM 1201 N SER A 76 1.709 11.211 -7.166 1.00 0.00 N ATOM 1202 CA SER A 76 2.608 12.359 -7.168 1.00 0.00 C ATOM 1203 C SER A 76 1.927 13.581 -7.779 1.00 0.00 C ATOM 1204 O SER A 76 2.315 14.720 -7.516 1.00 0.00 O ATOM 1205 CB SER A 76 3.885 12.032 -7.944 1.00 0.00 C ATOM 1206 OG SER A 76 4.842 13.069 -7.811 1.00 0.00 O ATOM 0 H SER A 76 2.090 10.376 -7.612 1.00 0.00 H new ATOM 0 HA SER A 76 2.868 12.588 -6.134 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.306 11.095 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.647 11.886 -8.998 1.00 0.00 H new ATOM 0 HG SER A 76 5.650 12.835 -8.315 1.00 0.00 H new ATOM 1212 N THR A 77 0.909 13.335 -8.598 1.00 0.00 N ATOM 1213 CA THR A 77 0.174 14.413 -9.248 1.00 0.00 C ATOM 1214 C THR A 77 -0.251 15.475 -8.240 1.00 0.00 C ATOM 1215 O THR A 77 0.183 16.625 -8.314 1.00 0.00 O ATOM 1216 CB THR A 77 -1.076 13.882 -9.975 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.692 12.950 -10.992 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.866 15.023 -10.598 1.00 0.00 C ATOM 0 H THR A 77 0.575 12.399 -8.827 1.00 0.00 H new ATOM 0 HA THR A 77 0.848 14.859 -9.979 1.00 0.00 H new ATOM 0 HB THR A 77 -1.709 13.380 -9.243 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.814 12.036 -10.661 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.744 14.623 -11.106 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.182 15.715 -9.818 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.239 15.549 -11.318 1.00 0.00 H new ATOM 1226 N THR A 78 -1.102 15.083 -7.297 1.00 0.00 N ATOM 1227 CA THR A 78 -1.586 16.001 -6.275 1.00 0.00 C ATOM 1228 C THR A 78 -1.162 15.547 -4.883 1.00 0.00 C ATOM 1229 O THR A 78 -0.867 16.368 -4.014 1.00 0.00 O ATOM 1230 CB THR A 78 -3.121 16.129 -6.315 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.563 17.038 -5.301 1.00 0.00 O ATOM 1232 CG2 THR A 78 -3.782 14.774 -6.112 1.00 0.00 C ATOM 0 H THR A 78 -1.470 14.135 -7.220 1.00 0.00 H new ATOM 0 HA THR A 78 -1.142 16.973 -6.489 1.00 0.00 H new ATOM 0 HB THR A 78 -3.407 16.512 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.539 17.115 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.865 14.889 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.466 14.093 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.489 14.368 -5.144 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.131 14.234 -4.677 1.00 0.00 N ATOM 1241 CA VAL A 79 -0.741 13.671 -3.390 1.00 0.00 C ATOM 1242 C VAL A 79 0.773 13.513 -3.296 1.00 0.00 C ATOM 1243 O VAL A 79 1.442 13.234 -4.291 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.404 12.301 -3.153 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -0.841 11.645 -1.901 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -2.915 12.451 -3.053 1.00 0.00 C ATOM 0 H VAL A 79 -1.371 13.540 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.080 14.368 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.181 11.657 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.321 10.678 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.233 11.502 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.031 12.284 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.367 11.474 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.161 13.112 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.301 12.875 -3.980 1.00 0.00 H new ATOM 1256 N HIS A 80 1.307 13.693 -2.092 1.00 0.00 N ATOM 1257 CA HIS A 80 2.743 13.570 -1.867 1.00 0.00 C ATOM 1258 C HIS A 80 3.036 12.531 -0.789 1.00 0.00 C ATOM 1259 O HIS A 80 3.819 11.605 -1.002 1.00 0.00 O ATOM 1260 CB HIS A 80 3.335 14.921 -1.464 1.00 0.00 C ATOM 1261 CG HIS A 80 4.832 14.954 -1.503 1.00 0.00 C ATOM 1262 ND1 HIS A 80 5.547 15.337 -2.618 1.00 0.00 N ATOM 1263 CD2 HIS A 80 5.749 14.651 -0.555 1.00 0.00 C ATOM 1264 CE1 HIS A 80 6.840 15.266 -2.355 1.00 0.00 C ATOM 1265 NE2 HIS A 80 6.989 14.853 -1.109 1.00 0.00 N ATOM 0 H HIS A 80 0.767 13.924 -1.258 1.00 0.00 H new ATOM 0 HA HIS A 80 3.205 13.243 -2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.945 15.692 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.000 15.169 -0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.544 14.313 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.639 15.505 -3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.881 14.708 -0.635 1.00 0.00 H new ATOM 1274 N ALA A 81 2.404 12.692 0.369 1.00 0.00 N ATOM 1275 CA ALA A 81 2.597 11.767 1.480 1.00 0.00 C ATOM 1276 C ALA A 81 1.341 10.939 1.728 1.00 0.00 C ATOM 1277 O ALA A 81 0.222 11.445 1.636 1.00 0.00 O ATOM 1278 CB ALA A 81 2.987 12.528 2.738 1.00 0.00 C ATOM 0 H ALA A 81 1.754 13.454 0.562 1.00 0.00 H new ATOM 0 HA ALA A 81 3.405 11.084 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.128 11.825 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.916 13.071 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.197 13.234 2.996 1.00 0.00 H new ATOM 1284 N LEU A 82 1.533 9.662 2.043 1.00 0.00 N ATOM 1285 CA LEU A 82 0.415 8.762 2.304 1.00 0.00 C ATOM 1286 C LEU A 82 0.784 7.729 3.363 1.00 0.00 C ATOM 1287 O LEU A 82 1.877 7.162 3.337 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.011 8.058 1.014 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.016 6.917 1.173 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.265 7.402 1.891 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.372 6.328 -0.184 1.00 0.00 C ATOM 0 H LEU A 82 2.452 9.227 2.124 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.419 9.357 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.439 8.802 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.881 7.665 0.527 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.557 6.135 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.969 6.576 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.995 7.775 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.728 8.203 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.088 5.517 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.812 7.102 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.471 5.942 -0.661 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.135 7.486 4.292 1.00 0.00 N ATOM 1304 CA ALA A 83 0.093 6.518 5.357 1.00 0.00 C ATOM 1305 C ALA A 83 -0.452 5.145 4.976 1.00 0.00 C ATOM 1306 O ALA A 83 -1.628 4.850 5.193 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.544 6.999 6.653 1.00 0.00 C ATOM 0 H ALA A 83 -1.044 7.947 4.328 1.00 0.00 H new ATOM 0 HA ALA A 83 1.169 6.425 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.366 6.266 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.106 7.955 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.617 7.121 6.507 1.00 0.00 H new ATOM 1313 N LEU A 84 0.410 4.309 4.408 1.00 0.00 N ATOM 1314 CA LEU A 84 0.015 2.967 3.995 1.00 0.00 C ATOM 1315 C LEU A 84 -0.171 2.058 5.206 1.00 0.00 C ATOM 1316 O LEU A 84 0.625 2.087 6.146 1.00 0.00 O ATOM 1317 CB LEU A 84 1.064 2.372 3.054 1.00 0.00 C ATOM 1318 CG LEU A 84 1.391 3.197 1.808 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.585 2.604 1.075 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.183 3.275 0.887 1.00 0.00 C ATOM 0 H LEU A 84 1.387 4.537 4.223 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.937 3.041 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.985 2.221 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.720 1.388 2.734 1.00 0.00 H new ATOM 0 HG LEU A 84 1.648 4.209 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.804 3.203 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.452 2.601 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.356 1.582 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.435 3.866 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.106 2.270 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.647 3.745 1.414 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.226 1.250 5.177 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.515 0.330 6.271 1.00 0.00 C ATOM 1334 C HIS A 85 -1.683 -1.095 5.753 1.00 0.00 C ATOM 1335 O HIS A 85 -2.803 -1.589 5.615 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.777 0.768 7.014 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.593 2.011 7.827 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.743 2.083 8.911 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.154 3.238 7.709 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.790 3.299 9.425 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.639 4.019 8.714 1.00 0.00 N ATOM 0 H HIS A 85 -1.895 1.214 4.408 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.672 0.349 6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.576 0.932 6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.101 -0.040 7.670 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.873 3.545 6.963 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.230 3.645 10.281 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.874 4.997 8.884 1.00 0.00 H new ATOM 1350 N THR A 86 -0.564 -1.752 5.466 1.00 0.00 N ATOM 1351 CA THR A 86 -0.587 -3.119 4.961 1.00 0.00 C ATOM 1352 C THR A 86 -0.654 -4.126 6.103 1.00 0.00 C ATOM 1353 O THR A 86 0.204 -4.136 6.986 1.00 0.00 O ATOM 1354 CB THR A 86 0.653 -3.421 4.098 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.845 -3.166 4.848 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.651 -2.573 2.834 1.00 0.00 C ATOM 0 H THR A 86 0.371 -1.359 5.575 1.00 0.00 H new ATOM 0 HA THR A 86 -1.481 -3.212 4.344 1.00 0.00 H new ATOM 0 HB THR A 86 0.623 -4.472 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.660 -3.275 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.536 -2.803 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.244 -2.791 2.251 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.660 -1.517 3.104 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.678 -4.972 6.080 1.00 0.00 N ATOM 1365 CA TYR A 87 -1.858 -5.983 7.116 1.00 0.00 C ATOM 1366 C TYR A 87 -1.933 -7.379 6.507 1.00 0.00 C ATOM 1367 O TYR A 87 -2.069 -7.535 5.292 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.126 -5.697 7.922 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.918 -4.706 9.045 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.412 -3.437 8.793 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.227 -5.039 10.358 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.220 -2.528 9.816 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.040 -4.137 11.387 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.536 -2.883 11.111 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.347 -1.981 12.134 1.00 0.00 O ATOM 0 H TYR A 87 -2.396 -4.978 5.356 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.996 -5.943 7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.895 -5.316 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.501 -6.632 8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.164 -3.156 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.620 -6.020 10.578 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.825 -1.546 9.603 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.287 -4.412 12.402 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.620 -2.387 12.983 1.00 0.00 H new ATOM 1385 N THR A 88 -1.845 -8.395 7.359 1.00 0.00 N ATOM 1386 CA THR A 88 -1.902 -9.780 6.907 1.00 0.00 C ATOM 1387 C THR A 88 -3.231 -10.426 7.283 1.00 0.00 C ATOM 1388 O THR A 88 -3.954 -9.925 8.144 1.00 0.00 O ATOM 1389 CB THR A 88 -0.752 -10.614 7.503 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.706 -10.439 8.924 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.582 -10.209 6.894 1.00 0.00 C ATOM 0 H THR A 88 -1.734 -8.285 8.367 1.00 0.00 H new ATOM 0 HA THR A 88 -1.803 -9.763 5.822 1.00 0.00 H new ATOM 0 HB THR A 88 -0.935 -11.663 7.272 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.067 -11.073 9.311 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.379 -10.811 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.554 -10.370 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.770 -9.155 7.099 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.546 -11.541 6.632 1.00 0.00 N ATOM 1400 CA ILE A 89 -4.787 -12.256 6.900 1.00 0.00 C ATOM 1401 C ILE A 89 -4.961 -12.516 8.393 1.00 0.00 C ATOM 1402 O ILE A 89 -5.956 -12.112 8.993 1.00 0.00 O ATOM 1403 CB ILE A 89 -4.837 -13.599 6.148 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -4.745 -13.367 4.638 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.110 -14.355 6.496 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.325 -13.237 4.132 1.00 0.00 C ATOM 0 H ILE A 89 -2.959 -11.968 5.916 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.599 -11.620 6.547 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.984 -14.203 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.232 -14.194 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.297 -12.462 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.130 -15.302 5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.137 -14.548 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.977 -13.758 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.336 -13.074 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.840 -12.392 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.774 -14.151 4.355 1.00 0.00 H new ATOM 1418 N LYS A 90 -3.984 -13.193 8.987 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.026 -13.505 10.411 1.00 0.00 C ATOM 1420 C LYS A 90 -4.236 -12.241 11.239 1.00 0.00 C ATOM 1421 O LYS A 90 -5.295 -12.049 11.835 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.731 -14.199 10.840 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.639 -15.647 10.389 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.318 -16.583 11.374 1.00 0.00 C ATOM 1425 CE LYS A 90 -3.406 -17.999 10.827 1.00 0.00 C ATOM 1426 NZ LYS A 90 -3.647 -18.996 11.906 1.00 0.00 N ATOM 0 H LYS A 90 -3.153 -13.536 8.504 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.867 -14.177 10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.882 -13.647 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.650 -14.160 11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.101 -15.753 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.592 -15.929 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.765 -16.588 12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.320 -16.215 11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.211 -18.056 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.481 -18.245 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.701 -19.949 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.867 -18.960 12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.542 -18.777 12.388 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.221 -11.383 11.270 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.296 -10.138 12.025 1.00 0.00 C ATOM 1442 C GLU A 91 -4.698 -9.540 11.948 1.00 0.00 C ATOM 1443 O GLU A 91 -5.225 -9.039 12.941 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.271 -9.133 11.496 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.843 -9.442 11.916 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.532 -10.926 11.877 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.178 -11.688 12.626 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.357 -11.325 11.096 1.00 0.00 O ATOM 0 H GLU A 91 -2.337 -11.527 10.781 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.071 -10.360 13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.324 -9.111 10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.537 -8.136 11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.152 -8.912 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.675 -9.066 12.925 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.294 -9.595 10.762 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.634 -9.058 10.555 1.00 0.00 C ATOM 1457 C TRP A 92 -7.678 -9.911 11.267 1.00 0.00 C ATOM 1458 O TRP A 92 -8.611 -9.387 11.874 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.951 -8.984 9.061 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.068 -8.039 8.736 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.243 -8.343 8.110 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.114 -6.636 9.020 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.016 -7.214 7.988 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.346 -6.154 8.539 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.234 -5.742 9.636 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.718 -4.817 8.654 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.605 -4.415 9.749 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.838 -3.963 9.261 1.00 0.00 C ATOM 0 H TRP A 92 -4.871 -10.006 9.930 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.665 -8.053 10.976 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.055 -8.675 8.522 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.212 -9.980 8.703 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.523 -9.326 7.762 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.939 -7.172 7.557 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.282 -6.081 10.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.668 -4.467 8.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.933 -3.715 10.222 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.099 -2.920 9.366 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.515 -11.228 11.187 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.445 -12.152 11.824 1.00 0.00 C ATOM 1481 C GLU A 93 -8.783 -11.695 13.241 1.00 0.00 C ATOM 1482 O GLU A 93 -9.883 -11.934 13.736 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.854 -13.563 11.860 1.00 0.00 C ATOM 1484 CG GLU A 93 -7.739 -14.209 10.489 1.00 0.00 C ATOM 1485 CD GLU A 93 -7.707 -15.724 10.559 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -8.607 -16.308 11.198 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -6.782 -16.325 9.974 1.00 0.00 O ATOM 0 H GLU A 93 -6.748 -11.678 10.688 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.363 -12.165 11.236 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.865 -13.522 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.475 -14.192 12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.581 -13.895 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.833 -13.852 9.998 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.826 -11.036 13.887 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.040 -10.557 15.240 1.00 0.00 C ATOM 1496 C GLY A 94 -7.167 -9.364 15.577 1.00 0.00 C ATOM 1497 O GLY A 94 -6.402 -9.398 16.542 1.00 0.00 O ATOM 0 H GLY A 94 -6.907 -10.825 13.498 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.088 -10.283 15.364 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.836 -11.363 15.944 1.00 0.00 H new