USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 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 70 GLN : amide:sc= -1.64 K(o=-10,f=-9.3) USER MOD Set 1.2: A 74 GLN : amide:sc= -8.5 K(o=-10,f=-15!) USER MOD Single : A 17 MET CE :methyl -140:sc= -2.73! (180deg=-5.12!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 121:sc= -4.3! USER MOD Single : A 29 THR OG1 : rot -160:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.2) USER MOD Single : A 39 TYR OH : rot -30:sc= -4.21! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 166:sc= 0 (180deg=-0.168) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.15 K(o=-2.1,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -2.225 12.767 10.026 1.00 0.00 N ATOM 108 CA ASP A 11 -1.604 12.596 8.723 1.00 0.00 C ATOM 109 C ASP A 11 -0.879 13.887 8.336 1.00 0.00 C ATOM 110 O ASP A 11 -1.286 14.976 8.737 1.00 0.00 O ATOM 111 CB ASP A 11 -2.651 12.300 7.649 1.00 0.00 C ATOM 112 CG ASP A 11 -3.939 13.120 7.758 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.721 12.825 8.687 1.00 0.00 O ATOM 114 OD2 ASP A 11 -4.112 14.022 6.910 1.00 0.00 O ATOM 0 HA ASP A 11 -0.908 11.759 8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.206 12.479 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.907 11.241 7.694 1.00 0.00 H new ATOM 119 N ASP A 12 0.182 13.721 7.561 1.00 0.00 N ATOM 120 CA ASP A 12 0.968 14.859 7.114 1.00 0.00 C ATOM 121 C ASP A 12 0.652 15.148 5.645 1.00 0.00 C ATOM 122 O ASP A 12 -0.414 14.780 5.153 1.00 0.00 O ATOM 123 CB ASP A 12 2.466 14.572 7.227 1.00 0.00 C ATOM 124 CG ASP A 12 3.305 15.724 7.785 1.00 0.00 C ATOM 125 OD1 ASP A 12 2.829 16.357 8.753 1.00 0.00 O ATOM 126 OD2 ASP A 12 4.403 15.948 7.231 1.00 0.00 O ATOM 0 H ASP A 12 0.516 12.816 7.231 1.00 0.00 H new ATOM 0 HA ASP A 12 0.715 15.711 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.606 13.699 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.846 14.311 6.239 1.00 0.00 H new ATOM 131 N GLU A 13 1.597 15.802 4.987 1.00 0.00 N ATOM 132 CA GLU A 13 1.431 16.143 3.584 1.00 0.00 C ATOM 133 C GLU A 13 1.915 14.994 2.697 1.00 0.00 C ATOM 134 O GLU A 13 1.557 14.918 1.523 1.00 0.00 O ATOM 135 CB GLU A 13 2.166 17.443 3.246 1.00 0.00 C ATOM 136 CG GLU A 13 1.368 18.661 3.715 1.00 0.00 C ATOM 137 CD GLU A 13 2.099 19.960 3.374 1.00 0.00 C ATOM 138 OE1 GLU A 13 3.030 20.305 4.134 1.00 0.00 O ATOM 139 OE2 GLU A 13 1.712 20.580 2.359 1.00 0.00 O ATOM 0 H GLU A 13 2.480 16.105 5.399 1.00 0.00 H new ATOM 0 HA GLU A 13 0.370 16.302 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.148 17.443 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.330 17.503 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.385 18.659 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.207 18.602 4.791 1.00 0.00 H new ATOM 146 N VAL A 14 2.723 14.128 3.294 1.00 0.00 N ATOM 147 CA VAL A 14 3.259 12.986 2.572 1.00 0.00 C ATOM 148 C VAL A 14 2.209 11.876 2.532 1.00 0.00 C ATOM 149 O VAL A 14 2.126 11.129 1.557 1.00 0.00 O ATOM 150 CB VAL A 14 4.578 12.540 3.207 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.335 11.872 4.562 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.350 11.611 2.268 1.00 0.00 C ATOM 0 H VAL A 14 3.019 14.195 4.268 1.00 0.00 H new ATOM 0 HA VAL A 14 3.485 13.256 1.540 1.00 0.00 H new ATOM 0 HB VAL A 14 5.187 13.428 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.288 11.564 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.845 12.578 5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.698 10.997 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.283 11.308 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.748 10.728 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.569 12.135 1.337 1.00 0.00 H new ATOM 162 N VAL A 15 1.431 11.800 3.602 1.00 0.00 N ATOM 163 CA VAL A 15 0.389 10.792 3.701 1.00 0.00 C ATOM 164 C VAL A 15 -0.645 11.024 2.597 1.00 0.00 C ATOM 165 O VAL A 15 -0.870 10.153 1.759 1.00 0.00 O ATOM 166 CB VAL A 15 -0.221 10.805 5.104 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.659 10.285 5.081 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.637 10.001 6.082 1.00 0.00 C ATOM 0 H VAL A 15 1.502 12.421 4.408 1.00 0.00 H new ATOM 0 HA VAL A 15 0.806 9.796 3.552 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.244 11.838 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.069 10.305 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.264 10.917 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.670 9.262 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.181 10.026 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.707 8.968 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.636 10.435 6.131 1.00 0.00 H new ATOM 178 N ALA A 16 -1.247 12.204 2.634 1.00 0.00 N ATOM 179 CA ALA A 16 -2.253 12.563 1.647 1.00 0.00 C ATOM 180 C ALA A 16 -1.744 12.196 0.252 1.00 0.00 C ATOM 181 O ALA A 16 -2.533 11.890 -0.640 1.00 0.00 O ATOM 182 CB ALA A 16 -2.586 14.050 1.775 1.00 0.00 C ATOM 0 H ALA A 16 -1.058 12.924 3.332 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.175 12.008 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.340 14.319 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.970 14.252 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.685 14.640 1.606 1.00 0.00 H new ATOM 188 N MET A 17 -0.428 12.240 0.106 1.00 0.00 N ATOM 189 CA MET A 17 0.195 11.918 -1.167 1.00 0.00 C ATOM 190 C MET A 17 0.004 10.439 -1.511 1.00 0.00 C ATOM 191 O MET A 17 -0.630 10.108 -2.512 1.00 0.00 O ATOM 192 CB MET A 17 1.690 12.237 -1.099 1.00 0.00 C ATOM 193 CG MET A 17 2.113 13.133 -2.264 1.00 0.00 C ATOM 194 SD MET A 17 2.974 14.570 -1.648 1.00 0.00 S ATOM 195 CE MET A 17 4.312 13.777 -0.772 1.00 0.00 C ATOM 0 H MET A 17 0.224 12.494 0.848 1.00 0.00 H new ATOM 0 HA MET A 17 -0.278 12.518 -1.944 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.917 12.731 -0.154 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.264 11.311 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.757 12.577 -2.946 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.236 13.441 -2.834 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.499 14.306 0.163 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.044 12.743 -0.557 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.212 13.798 -1.386 1.00 0.00 H new ATOM 205 N ILE A 18 0.563 9.589 -0.662 1.00 0.00 N ATOM 206 CA ILE A 18 0.463 8.153 -0.864 1.00 0.00 C ATOM 207 C ILE A 18 -0.995 7.783 -1.141 1.00 0.00 C ATOM 208 O ILE A 18 -1.276 6.950 -2.002 1.00 0.00 O ATOM 209 CB ILE A 18 1.074 7.402 0.320 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.602 7.463 0.278 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.559 5.962 0.380 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.169 7.948 1.614 1.00 0.00 C ATOM 0 H ILE A 18 1.087 9.867 0.168 1.00 0.00 H new ATOM 0 HA ILE A 18 1.041 7.849 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 18 0.757 7.896 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.003 6.476 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.921 8.133 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.009 5.450 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.525 5.968 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.826 5.441 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.257 7.982 1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.786 8.945 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.869 7.263 2.407 1.00 0.00 H new ATOM 224 N LYS A 19 -1.887 8.421 -0.395 1.00 0.00 N ATOM 225 CA LYS A 19 -3.309 8.168 -0.550 1.00 0.00 C ATOM 226 C LYS A 19 -3.676 8.231 -2.034 1.00 0.00 C ATOM 227 O LYS A 19 -4.312 7.318 -2.558 1.00 0.00 O ATOM 228 CB LYS A 19 -4.121 9.126 0.324 1.00 0.00 C ATOM 229 CG LYS A 19 -4.075 8.701 1.793 1.00 0.00 C ATOM 230 CD LYS A 19 -4.915 9.639 2.662 1.00 0.00 C ATOM 231 CE LYS A 19 -5.351 8.945 3.954 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.371 9.755 4.659 1.00 0.00 N ATOM 0 H LYS A 19 -1.652 9.112 0.318 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.557 7.165 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.729 10.138 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.155 9.149 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.444 7.680 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.043 8.702 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.338 10.532 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.794 9.966 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.755 7.959 3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.487 8.793 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.656 9.270 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.973 10.687 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.201 9.878 4.045 1.00 0.00 H new ATOM 246 N GLU A 20 -3.258 9.316 -2.670 1.00 0.00 N ATOM 247 CA GLU A 20 -3.533 9.508 -4.083 1.00 0.00 C ATOM 248 C GLU A 20 -3.003 8.325 -4.893 1.00 0.00 C ATOM 249 O GLU A 20 -3.776 7.596 -5.514 1.00 0.00 O ATOM 250 CB GLU A 20 -2.939 10.826 -4.583 1.00 0.00 C ATOM 251 CG GLU A 20 -3.854 11.483 -5.618 1.00 0.00 C ATOM 252 CD GLU A 20 -3.086 11.808 -6.901 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.460 10.871 -7.441 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.142 12.988 -7.313 1.00 0.00 O ATOM 0 H GLU A 20 -2.731 10.071 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.613 9.560 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.790 11.504 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.959 10.643 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.687 10.818 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.280 12.397 -5.204 1.00 0.00 H new ATOM 261 N LEU A 21 -1.687 8.170 -4.862 1.00 0.00 N ATOM 262 CA LEU A 21 -1.045 7.087 -5.586 1.00 0.00 C ATOM 263 C LEU A 21 -1.719 5.762 -5.220 1.00 0.00 C ATOM 264 O LEU A 21 -1.638 4.792 -5.972 1.00 0.00 O ATOM 265 CB LEU A 21 0.465 7.097 -5.337 1.00 0.00 C ATOM 266 CG LEU A 21 1.351 7.109 -6.584 1.00 0.00 C ATOM 267 CD1 LEU A 21 2.833 7.113 -6.205 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.001 5.947 -7.517 1.00 0.00 C ATOM 0 H LEU A 21 -1.049 8.776 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.170 7.222 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.708 7.972 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.721 6.220 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 21 1.157 8.031 -7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.440 7.122 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.054 8.000 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.062 6.220 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.645 5.979 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.148 5.003 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.040 6.031 -7.828 1.00 0.00 H new ATOM 280 N LEU A 22 -2.368 5.766 -4.066 1.00 0.00 N ATOM 281 CA LEU A 22 -3.056 4.577 -3.591 1.00 0.00 C ATOM 282 C LEU A 22 -4.414 4.467 -4.288 1.00 0.00 C ATOM 283 O LEU A 22 -4.923 3.366 -4.492 1.00 0.00 O ATOM 284 CB LEU A 22 -3.147 4.584 -2.065 1.00 0.00 C ATOM 285 CG LEU A 22 -2.045 3.824 -1.323 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.533 2.444 -0.881 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.774 3.739 -2.170 1.00 0.00 C ATOM 0 H LEU A 22 -2.432 6.573 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.491 3.681 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.139 5.620 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.110 4.162 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.794 4.380 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.731 1.925 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.389 2.557 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.828 1.865 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.006 3.194 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.992 3.217 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.417 4.745 -2.392 1.00 0.00 H new ATOM 299 N ASP A 23 -4.963 5.622 -4.631 1.00 0.00 N ATOM 300 CA ASP A 23 -6.252 5.670 -5.300 1.00 0.00 C ATOM 301 C ASP A 23 -6.037 5.632 -6.814 1.00 0.00 C ATOM 302 O ASP A 23 -6.790 4.979 -7.535 1.00 0.00 O ATOM 303 CB ASP A 23 -7.002 6.959 -4.960 1.00 0.00 C ATOM 304 CG ASP A 23 -8.298 6.764 -4.171 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.187 6.506 -2.952 1.00 0.00 O ATOM 306 OD2 ASP A 23 -9.371 6.878 -4.804 1.00 0.00 O ATOM 0 H ASP A 23 -4.539 6.533 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.838 4.814 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.339 7.607 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.234 7.482 -5.888 1.00 0.00 H new ATOM 311 N THR A 24 -5.008 6.342 -7.252 1.00 0.00 N ATOM 312 CA THR A 24 -4.685 6.399 -8.668 1.00 0.00 C ATOM 313 C THR A 24 -5.025 5.070 -9.346 1.00 0.00 C ATOM 314 O THR A 24 -6.112 4.913 -9.901 1.00 0.00 O ATOM 315 CB THR A 24 -3.212 6.789 -8.801 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.556 6.015 -7.802 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.950 8.238 -8.382 1.00 0.00 C ATOM 0 H THR A 24 -4.386 6.883 -6.651 1.00 0.00 H new ATOM 0 HA THR A 24 -5.283 7.152 -9.181 1.00 0.00 H new ATOM 0 HB THR A 24 -2.890 6.645 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.881 5.442 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.890 8.463 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.533 8.910 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.240 8.374 -7.340 1.00 0.00 H new ATOM 325 N ARG A 25 -4.077 4.147 -9.277 1.00 0.00 N ATOM 326 CA ARG A 25 -4.262 2.838 -9.877 1.00 0.00 C ATOM 327 C ARG A 25 -3.623 1.757 -9.003 1.00 0.00 C ATOM 328 O ARG A 25 -2.963 0.853 -9.511 1.00 0.00 O ATOM 329 CB ARG A 25 -3.648 2.781 -11.278 1.00 0.00 C ATOM 330 CG ARG A 25 -2.180 3.213 -11.249 1.00 0.00 C ATOM 331 CD ARG A 25 -1.752 3.787 -12.601 1.00 0.00 C ATOM 332 NE ARG A 25 -1.649 2.702 -13.602 1.00 0.00 N ATOM 333 CZ ARG A 25 -1.410 2.903 -14.905 1.00 0.00 C ATOM 334 NH1 ARG A 25 -1.247 4.148 -15.372 1.00 0.00 N ATOM 335 NH2 ARG A 25 -1.333 1.858 -15.741 1.00 0.00 N ATOM 0 H ARG A 25 -3.178 4.281 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.334 2.659 -9.956 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.725 1.768 -11.672 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.209 3.429 -11.952 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.032 3.960 -10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.551 2.360 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.474 4.533 -12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.792 4.294 -12.503 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.767 1.741 -13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.305 4.943 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.065 4.301 -16.364 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.456 0.910 -15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.151 2.011 -16.733 1.00 0.00 H new ATOM 349 N ILE A 26 -3.841 1.888 -7.703 1.00 0.00 N ATOM 350 CA ILE A 26 -3.294 0.934 -6.753 1.00 0.00 C ATOM 351 C ILE A 26 -4.442 0.205 -6.050 1.00 0.00 C ATOM 352 O ILE A 26 -4.466 -1.024 -6.005 1.00 0.00 O ATOM 353 CB ILE A 26 -2.329 1.629 -5.791 1.00 0.00 C ATOM 354 CG1 ILE A 26 -1.021 1.994 -6.496 1.00 0.00 C ATOM 355 CG2 ILE A 26 -2.089 0.778 -4.543 1.00 0.00 C ATOM 356 CD1 ILE A 26 -0.060 2.702 -5.538 1.00 0.00 C ATOM 0 H ILE A 26 -4.389 2.640 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.704 0.178 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.789 2.561 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.551 1.092 -6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.231 2.640 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.399 1.296 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.035 0.612 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.661 -0.181 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.862 2.950 -6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.524 3.616 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.167 2.044 -4.699 1.00 0.00 H new ATOM 368 N ARG A 27 -5.365 0.993 -5.520 1.00 0.00 N ATOM 369 CA ARG A 27 -6.513 0.438 -4.823 1.00 0.00 C ATOM 370 C ARG A 27 -7.536 -0.098 -5.827 1.00 0.00 C ATOM 371 O ARG A 27 -8.025 -1.218 -5.683 1.00 0.00 O ATOM 372 CB ARG A 27 -7.182 1.490 -3.937 1.00 0.00 C ATOM 373 CG ARG A 27 -8.704 1.342 -3.963 1.00 0.00 C ATOM 374 CD ARG A 27 -9.370 2.362 -3.038 1.00 0.00 C ATOM 375 NE ARG A 27 -10.440 1.709 -2.251 1.00 0.00 N ATOM 376 CZ ARG A 27 -11.376 2.373 -1.559 1.00 0.00 C ATOM 377 NH1 ARG A 27 -11.380 3.713 -1.553 1.00 0.00 N ATOM 378 NH2 ARG A 27 -12.309 1.696 -0.874 1.00 0.00 N ATOM 0 H ARG A 27 -5.342 2.012 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.155 -0.377 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.821 1.391 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.904 2.487 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.069 1.477 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.980 0.333 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.628 2.796 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.787 3.180 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.467 0.689 -2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.671 4.227 -2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.092 4.219 -1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.306 0.676 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.022 2.201 -0.347 1.00 0.00 H new ATOM 392 N PRO A 28 -7.837 0.748 -6.848 1.00 0.00 N ATOM 393 CA PRO A 28 -8.793 0.371 -7.875 1.00 0.00 C ATOM 394 C PRO A 28 -8.182 -0.639 -8.847 1.00 0.00 C ATOM 395 O PRO A 28 -8.860 -1.122 -9.754 1.00 0.00 O ATOM 396 CB PRO A 28 -9.186 1.677 -8.545 1.00 0.00 C ATOM 397 CG PRO A 28 -8.097 2.675 -8.186 1.00 0.00 C ATOM 398 CD PRO A 28 -7.278 2.082 -7.050 1.00 0.00 C ATOM 0 HA PRO A 28 -9.670 -0.132 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.262 1.554 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.160 2.018 -8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.463 2.875 -9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.535 3.626 -7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.220 2.033 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.358 2.686 -6.146 1.00 0.00 H new ATOM 406 N THR A 29 -6.908 -0.931 -8.626 1.00 0.00 N ATOM 407 CA THR A 29 -6.199 -1.875 -9.472 1.00 0.00 C ATOM 408 C THR A 29 -6.182 -3.261 -8.824 1.00 0.00 C ATOM 409 O THR A 29 -6.268 -4.275 -9.516 1.00 0.00 O ATOM 410 CB THR A 29 -4.801 -1.313 -9.741 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.967 -0.517 -10.911 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.806 -2.395 -10.164 1.00 0.00 C ATOM 0 H THR A 29 -6.349 -0.530 -7.873 1.00 0.00 H new ATOM 0 HA THR A 29 -6.703 -2.003 -10.430 1.00 0.00 H new ATOM 0 HB THR A 29 -4.433 -0.812 -8.846 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.096 -0.377 -11.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.830 -1.943 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.721 -3.140 -9.373 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.156 -2.874 -11.078 1.00 0.00 H new ATOM 420 N VAL A 30 -6.068 -3.262 -7.504 1.00 0.00 N ATOM 421 CA VAL A 30 -6.039 -4.507 -6.757 1.00 0.00 C ATOM 422 C VAL A 30 -7.382 -5.222 -6.911 1.00 0.00 C ATOM 423 O VAL A 30 -7.423 -6.426 -7.158 1.00 0.00 O ATOM 424 CB VAL A 30 -5.672 -4.231 -5.297 1.00 0.00 C ATOM 425 CG1 VAL A 30 -6.078 -5.403 -4.399 1.00 0.00 C ATOM 426 CG2 VAL A 30 -4.181 -3.923 -5.154 1.00 0.00 C ATOM 0 H VAL A 30 -5.995 -2.420 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.271 -5.172 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.228 -3.351 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.806 -5.182 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.155 -5.556 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.562 -6.306 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.948 -3.731 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.598 -4.775 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.932 -3.044 -5.748 1.00 0.00 H new ATOM 436 N GLN A 31 -8.448 -4.450 -6.759 1.00 0.00 N ATOM 437 CA GLN A 31 -9.790 -4.995 -6.878 1.00 0.00 C ATOM 438 C GLN A 31 -9.867 -5.961 -8.063 1.00 0.00 C ATOM 439 O GLN A 31 -10.251 -7.118 -7.901 1.00 0.00 O ATOM 440 CB GLN A 31 -10.826 -3.877 -7.015 1.00 0.00 C ATOM 441 CG GLN A 31 -11.008 -3.135 -5.689 1.00 0.00 C ATOM 442 CD GLN A 31 -11.287 -1.649 -5.927 1.00 0.00 C ATOM 443 OE1 GLN A 31 -12.172 -1.270 -6.675 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.485 -0.833 -5.250 1.00 0.00 N ATOM 0 H GLN A 31 -8.410 -3.451 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.019 -5.548 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.511 -3.176 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.780 -4.297 -7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.832 -3.579 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.112 -3.247 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.763 -1.217 -4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.591 0.177 -5.340 1.00 0.00 H new ATOM 453 N GLU A 32 -9.495 -5.450 -9.227 1.00 0.00 N ATOM 454 CA GLU A 32 -9.518 -6.252 -10.439 1.00 0.00 C ATOM 455 C GLU A 32 -8.885 -7.621 -10.179 1.00 0.00 C ATOM 456 O GLU A 32 -9.301 -8.621 -10.764 1.00 0.00 O ATOM 457 CB GLU A 32 -8.811 -5.530 -11.588 1.00 0.00 C ATOM 458 CG GLU A 32 -9.758 -5.326 -12.773 1.00 0.00 C ATOM 459 CD GLU A 32 -9.136 -4.399 -13.819 1.00 0.00 C ATOM 460 OE1 GLU A 32 -9.098 -3.180 -13.545 1.00 0.00 O ATOM 461 OE2 GLU A 32 -8.713 -4.931 -14.867 1.00 0.00 O ATOM 0 H GLU A 32 -9.176 -4.490 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.557 -6.402 -10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.441 -4.564 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.943 -6.108 -11.906 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.990 -6.289 -13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.700 -4.904 -12.422 1.00 0.00 H new ATOM 468 N ASP A 33 -7.891 -7.622 -9.304 1.00 0.00 N ATOM 469 CA ASP A 33 -7.197 -8.852 -8.961 1.00 0.00 C ATOM 470 C ASP A 33 -8.076 -9.682 -8.022 1.00 0.00 C ATOM 471 O ASP A 33 -8.520 -10.770 -8.383 1.00 0.00 O ATOM 472 CB ASP A 33 -5.880 -8.558 -8.241 1.00 0.00 C ATOM 473 CG ASP A 33 -4.728 -9.503 -8.590 1.00 0.00 C ATOM 474 OD1 ASP A 33 -5.007 -10.715 -8.717 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.596 -8.992 -8.721 1.00 0.00 O ATOM 0 H ASP A 33 -7.549 -6.791 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.989 -9.392 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.576 -7.537 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.053 -8.602 -7.166 1.00 0.00 H new ATOM 480 N GLY A 34 -8.297 -9.137 -6.835 1.00 0.00 N ATOM 481 CA GLY A 34 -9.114 -9.813 -5.841 1.00 0.00 C ATOM 482 C GLY A 34 -8.651 -9.468 -4.425 1.00 0.00 C ATOM 483 O GLY A 34 -8.085 -10.309 -3.729 1.00 0.00 O ATOM 0 H GLY A 34 -7.925 -8.235 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.158 -9.525 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.060 -10.891 -5.993 1.00 0.00 H new ATOM 487 N GLY A 35 -8.911 -8.227 -4.039 1.00 0.00 N ATOM 488 CA GLY A 35 -8.529 -7.759 -2.717 1.00 0.00 C ATOM 489 C GLY A 35 -8.822 -6.266 -2.558 1.00 0.00 C ATOM 490 O GLY A 35 -9.636 -5.707 -3.292 1.00 0.00 O ATOM 0 H GLY A 35 -9.381 -7.532 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.071 -8.322 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.467 -7.944 -2.555 1.00 0.00 H new ATOM 494 N ASP A 36 -8.141 -5.661 -1.595 1.00 0.00 N ATOM 495 CA ASP A 36 -8.318 -4.243 -1.330 1.00 0.00 C ATOM 496 C ASP A 36 -7.115 -3.722 -0.541 1.00 0.00 C ATOM 497 O ASP A 36 -6.758 -4.282 0.494 1.00 0.00 O ATOM 498 CB ASP A 36 -9.576 -3.991 -0.498 1.00 0.00 C ATOM 499 CG ASP A 36 -9.797 -2.534 -0.086 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.850 -1.741 -0.274 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.909 -2.247 0.409 1.00 0.00 O ATOM 0 H ASP A 36 -7.466 -6.127 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.411 -3.730 -2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.443 -4.328 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.527 -4.604 0.402 1.00 0.00 H new ATOM 506 N VAL A 37 -6.524 -2.656 -1.060 1.00 0.00 N ATOM 507 CA VAL A 37 -5.369 -2.054 -0.417 1.00 0.00 C ATOM 508 C VAL A 37 -5.840 -0.976 0.562 1.00 0.00 C ATOM 509 O VAL A 37 -6.605 -0.087 0.191 1.00 0.00 O ATOM 510 CB VAL A 37 -4.401 -1.520 -1.473 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.926 -0.222 -2.092 1.00 0.00 C ATOM 512 CG2 VAL A 37 -3.002 -1.319 -0.885 1.00 0.00 C ATOM 0 H VAL A 37 -6.824 -2.194 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.821 -2.800 0.159 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.327 -2.265 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.219 0.137 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.890 -0.408 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.043 0.531 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.334 -0.939 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.052 -0.604 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.623 -2.271 -0.514 1.00 0.00 H new ATOM 522 N ILE A 38 -5.365 -1.091 1.793 1.00 0.00 N ATOM 523 CA ILE A 38 -5.728 -0.137 2.827 1.00 0.00 C ATOM 524 C ILE A 38 -4.467 0.303 3.575 1.00 0.00 C ATOM 525 O ILE A 38 -3.896 -0.469 4.344 1.00 0.00 O ATOM 526 CB ILE A 38 -6.810 -0.721 3.738 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.809 -1.557 2.935 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.502 0.382 4.542 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.334 -3.007 2.811 1.00 0.00 C ATOM 0 H ILE A 38 -4.732 -1.830 2.098 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.165 0.758 2.383 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.331 -1.390 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.785 -1.530 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.935 -1.125 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.267 -0.059 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.767 0.898 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.966 1.093 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.061 -3.580 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.370 -3.032 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.232 -3.443 3.805 1.00 0.00 H new ATOM 541 N TYR A 39 -4.070 1.541 3.323 1.00 0.00 N ATOM 542 CA TYR A 39 -2.888 2.094 3.963 1.00 0.00 C ATOM 543 C TYR A 39 -3.177 2.468 5.418 1.00 0.00 C ATOM 544 O TYR A 39 -3.830 3.477 5.685 1.00 0.00 O ATOM 545 CB TYR A 39 -2.539 3.362 3.181 1.00 0.00 C ATOM 546 CG TYR A 39 -1.760 4.398 3.993 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.952 3.992 5.036 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.865 5.739 3.683 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.218 4.968 5.799 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.131 6.714 4.446 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.345 6.281 5.467 1.00 0.00 C ATOM 552 OH TYR A 39 0.348 7.203 6.189 1.00 0.00 O ATOM 0 H TYR A 39 -4.546 2.178 2.684 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.076 1.367 3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.952 3.086 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.460 3.818 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.870 2.943 5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.498 6.057 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.419 4.664 6.617 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.203 7.766 4.213 1.00 0.00 H new ATOM 0 HH TYR A 39 0.464 6.880 7.107 1.00 0.00 H new ATOM 562 N ARG A 40 -2.677 1.638 6.320 1.00 0.00 N ATOM 563 CA ARG A 40 -2.872 1.870 7.741 1.00 0.00 C ATOM 564 C ARG A 40 -1.530 1.825 8.476 1.00 0.00 C ATOM 565 O ARG A 40 -1.080 0.758 8.890 1.00 0.00 O ATOM 566 CB ARG A 40 -3.811 0.824 8.345 1.00 0.00 C ATOM 567 CG ARG A 40 -4.955 0.494 7.385 1.00 0.00 C ATOM 568 CD ARG A 40 -6.023 1.591 7.406 1.00 0.00 C ATOM 569 NE ARG A 40 -7.268 1.072 8.013 1.00 0.00 N ATOM 570 CZ ARG A 40 -7.557 1.154 9.319 1.00 0.00 C ATOM 571 NH1 ARG A 40 -6.692 1.733 10.162 1.00 0.00 N ATOM 572 NH2 ARG A 40 -8.712 0.657 9.782 1.00 0.00 N ATOM 0 H ARG A 40 -2.136 0.803 6.095 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.321 2.856 7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.251 -0.083 8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.217 1.195 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.565 0.381 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.403 -0.460 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.663 2.450 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.220 1.938 6.392 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.949 0.624 7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.813 2.112 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.913 1.795 11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.371 0.216 9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.932 0.719 10.776 1.00 0.00 H new ATOM 586 N GLY A 41 -0.928 2.998 8.614 1.00 0.00 N ATOM 587 CA GLY A 41 0.352 3.107 9.292 1.00 0.00 C ATOM 588 C GLY A 41 1.482 3.352 8.291 1.00 0.00 C ATOM 589 O GLY A 41 1.566 2.679 7.265 1.00 0.00 O ATOM 0 H GLY A 41 -1.304 3.881 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.317 3.923 10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.550 2.194 9.853 1.00 0.00 H new ATOM 593 N PHE A 42 2.325 4.320 8.624 1.00 0.00 N ATOM 594 CA PHE A 42 3.447 4.663 7.767 1.00 0.00 C ATOM 595 C PHE A 42 4.675 5.042 8.597 1.00 0.00 C ATOM 596 O PHE A 42 4.692 6.087 9.247 1.00 0.00 O ATOM 597 CB PHE A 42 3.018 5.871 6.931 1.00 0.00 C ATOM 598 CG PHE A 42 4.086 6.360 5.950 1.00 0.00 C ATOM 599 CD1 PHE A 42 5.168 7.044 6.409 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.952 6.110 4.620 1.00 0.00 C ATOM 601 CE1 PHE A 42 6.159 7.498 5.499 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.944 6.564 3.710 1.00 0.00 C ATOM 603 CZ PHE A 42 6.025 7.249 4.168 1.00 0.00 C ATOM 0 H PHE A 42 2.253 4.877 9.475 1.00 0.00 H new ATOM 0 HA PHE A 42 3.713 3.810 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.118 5.613 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.754 6.689 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.274 7.242 7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.092 5.567 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.019 8.041 5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.839 6.365 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.778 7.596 3.475 1.00 0.00 H new ATOM 613 N GLU A 43 5.673 4.172 8.549 1.00 0.00 N ATOM 614 CA GLU A 43 6.902 4.402 9.289 1.00 0.00 C ATOM 615 C GLU A 43 8.110 3.948 8.464 1.00 0.00 C ATOM 616 O GLU A 43 7.998 3.044 7.639 1.00 0.00 O ATOM 617 CB GLU A 43 6.867 3.694 10.644 1.00 0.00 C ATOM 618 CG GLU A 43 5.839 4.342 11.574 1.00 0.00 C ATOM 619 CD GLU A 43 6.420 5.583 12.254 1.00 0.00 C ATOM 620 OE1 GLU A 43 6.641 6.577 11.529 1.00 0.00 O ATOM 621 OE2 GLU A 43 6.631 5.510 13.485 1.00 0.00 O ATOM 0 H GLU A 43 5.656 3.307 8.009 1.00 0.00 H new ATOM 0 HA GLU A 43 6.995 5.471 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.622 2.641 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.854 3.732 11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.951 4.617 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.523 3.623 12.330 1.00 0.00 H new ATOM 628 N ASP A 44 9.236 4.598 8.718 1.00 0.00 N ATOM 629 CA ASP A 44 10.463 4.274 8.010 1.00 0.00 C ATOM 630 C ASP A 44 10.158 4.108 6.520 1.00 0.00 C ATOM 631 O ASP A 44 10.867 3.392 5.814 1.00 0.00 O ATOM 632 CB ASP A 44 11.062 2.962 8.520 1.00 0.00 C ATOM 633 CG ASP A 44 12.542 3.030 8.898 1.00 0.00 C ATOM 634 OD1 ASP A 44 13.127 4.118 8.708 1.00 0.00 O ATOM 635 OD2 ASP A 44 13.057 1.993 9.370 1.00 0.00 O ATOM 0 H ASP A 44 9.325 5.347 9.404 1.00 0.00 H new ATOM 0 HA ASP A 44 11.173 5.084 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.495 2.636 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.933 2.199 7.752 1.00 0.00 H new ATOM 640 N GLY A 45 9.103 4.781 6.086 1.00 0.00 N ATOM 641 CA GLY A 45 8.696 4.717 4.692 1.00 0.00 C ATOM 642 C GLY A 45 7.800 3.503 4.439 1.00 0.00 C ATOM 643 O GLY A 45 6.820 3.594 3.702 1.00 0.00 O ATOM 0 H GLY A 45 8.517 5.373 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.164 5.629 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.578 4.662 4.054 1.00 0.00 H new ATOM 647 N ILE A 46 8.170 2.394 5.063 1.00 0.00 N ATOM 648 CA ILE A 46 7.412 1.164 4.914 1.00 0.00 C ATOM 649 C ILE A 46 5.928 1.451 5.150 1.00 0.00 C ATOM 650 O ILE A 46 5.488 1.558 6.294 1.00 0.00 O ATOM 651 CB ILE A 46 7.980 0.071 5.822 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.430 -0.249 5.454 1.00 0.00 C ATOM 653 CG2 ILE A 46 7.094 -1.176 5.799 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.495 -1.242 4.292 1.00 0.00 C ATOM 0 H ILE A 46 8.985 2.322 5.673 1.00 0.00 H new ATOM 0 HA ILE A 46 7.504 0.781 3.898 1.00 0.00 H new ATOM 0 HB ILE A 46 7.983 0.445 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.951 0.669 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.946 -0.663 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.520 -1.937 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.094 -0.918 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.036 -1.562 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.537 -1.452 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.995 -2.168 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.000 -0.815 3.420 1.00 0.00 H new ATOM 666 N VAL A 47 5.198 1.569 4.051 1.00 0.00 N ATOM 667 CA VAL A 47 3.773 1.841 4.125 1.00 0.00 C ATOM 668 C VAL A 47 3.028 0.551 4.470 1.00 0.00 C ATOM 669 O VAL A 47 3.246 -0.483 3.842 1.00 0.00 O ATOM 670 CB VAL A 47 3.294 2.478 2.818 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.837 2.932 2.932 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.201 3.639 2.409 1.00 0.00 C ATOM 0 H VAL A 47 5.567 1.481 3.104 1.00 0.00 H new ATOM 0 HA VAL A 47 3.562 2.559 4.918 1.00 0.00 H new ATOM 0 HB VAL A 47 3.348 1.721 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.521 3.381 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.204 2.073 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.746 3.666 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.838 4.073 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.194 4.399 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.218 3.274 2.267 1.00 0.00 H new ATOM 682 N ARG A 48 2.162 0.654 5.468 1.00 0.00 N ATOM 683 CA ARG A 48 1.383 -0.492 5.905 1.00 0.00 C ATOM 684 C ARG A 48 0.079 -0.582 5.109 1.00 0.00 C ATOM 685 O ARG A 48 -0.824 0.231 5.298 1.00 0.00 O ATOM 686 CB ARG A 48 1.057 -0.400 7.397 1.00 0.00 C ATOM 687 CG ARG A 48 2.255 -0.829 8.247 1.00 0.00 C ATOM 688 CD ARG A 48 1.828 -1.120 9.687 1.00 0.00 C ATOM 689 NE ARG A 48 1.732 0.143 10.452 1.00 0.00 N ATOM 690 CZ ARG A 48 2.788 0.879 10.822 1.00 0.00 C ATOM 691 NH1 ARG A 48 4.027 0.484 10.500 1.00 0.00 N ATOM 692 NH2 ARG A 48 2.606 2.011 11.515 1.00 0.00 N ATOM 0 H ARG A 48 1.983 1.514 5.986 1.00 0.00 H new ATOM 0 HA ARG A 48 1.982 -1.386 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.775 0.622 7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.199 -1.033 7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.714 -1.717 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.011 -0.044 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.866 -1.632 9.693 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.548 -1.788 10.161 1.00 0.00 H new ATOM 0 HE ARG A 48 0.803 0.474 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.167 -0.378 9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.831 1.045 10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.663 2.312 11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.410 2.571 11.797 1.00 0.00 H new ATOM 706 N LEU A 49 0.023 -1.577 4.236 1.00 0.00 N ATOM 707 CA LEU A 49 -1.155 -1.783 3.411 1.00 0.00 C ATOM 708 C LEU A 49 -1.763 -3.150 3.732 1.00 0.00 C ATOM 709 O LEU A 49 -1.041 -4.130 3.906 1.00 0.00 O ATOM 710 CB LEU A 49 -0.813 -1.595 1.932 1.00 0.00 C ATOM 711 CG LEU A 49 -0.148 -0.268 1.562 1.00 0.00 C ATOM 712 CD1 LEU A 49 -1.098 0.907 1.800 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.178 -0.092 2.305 1.00 0.00 C ATOM 0 H LEU A 49 0.774 -2.249 4.082 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.914 -1.034 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.154 -2.407 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.730 -1.693 1.352 1.00 0.00 H new ATOM 0 HG LEU A 49 0.080 -0.287 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.600 1.838 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.992 0.782 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.380 0.939 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.629 0.859 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.997 -0.104 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.853 -0.906 2.042 1.00 0.00 H new ATOM 725 N LYS A 50 -3.086 -3.171 3.802 1.00 0.00 N ATOM 726 CA LYS A 50 -3.801 -4.402 4.098 1.00 0.00 C ATOM 727 C LYS A 50 -4.407 -4.958 2.809 1.00 0.00 C ATOM 728 O LYS A 50 -5.628 -5.026 2.671 1.00 0.00 O ATOM 729 CB LYS A 50 -4.826 -4.170 5.210 1.00 0.00 C ATOM 730 CG LYS A 50 -5.602 -5.453 5.516 1.00 0.00 C ATOM 731 CD LYS A 50 -6.485 -5.280 6.754 1.00 0.00 C ATOM 732 CE LYS A 50 -7.910 -4.888 6.358 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.687 -6.086 5.968 1.00 0.00 N ATOM 0 H LYS A 50 -3.682 -2.356 3.659 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.116 -5.159 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.319 -3.824 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.519 -3.383 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.220 -5.721 4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.904 -6.275 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.504 -6.209 7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.061 -4.515 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.400 -4.385 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.882 -4.180 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.652 -5.803 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.227 -6.550 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.729 -6.748 6.769 1.00 0.00 H new ATOM 747 N LEU A 51 -3.527 -5.342 1.896 1.00 0.00 N ATOM 748 CA LEU A 51 -3.960 -5.891 0.622 1.00 0.00 C ATOM 749 C LEU A 51 -3.897 -7.418 0.682 1.00 0.00 C ATOM 750 O LEU A 51 -3.139 -7.981 1.471 1.00 0.00 O ATOM 751 CB LEU A 51 -3.148 -5.286 -0.525 1.00 0.00 C ATOM 752 CG LEU A 51 -1.823 -5.980 -0.847 1.00 0.00 C ATOM 753 CD1 LEU A 51 -0.903 -5.999 0.375 1.00 0.00 C ATOM 754 CD2 LEU A 51 -2.061 -7.384 -1.407 1.00 0.00 C ATOM 0 H LEU A 51 -2.515 -5.284 2.013 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.998 -5.622 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.766 -5.291 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.941 -4.243 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.316 -5.406 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.032 -6.498 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.694 -4.976 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.390 -6.536 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.103 -7.855 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.599 -7.983 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.651 -7.316 -2.321 1.00 0.00 H new ATOM 988 N GLY A 68 7.142 -4.604 -7.923 1.00 0.00 N ATOM 989 CA GLY A 68 6.838 -3.656 -8.982 1.00 0.00 C ATOM 990 C GLY A 68 6.047 -2.464 -8.440 1.00 0.00 C ATOM 991 O GLY A 68 6.504 -1.325 -8.514 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.764 -3.306 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.265 -4.152 -9.765 1.00 0.00 H new ATOM 995 N ILE A 69 4.872 -2.769 -7.907 1.00 0.00 N ATOM 996 CA ILE A 69 4.012 -1.737 -7.353 1.00 0.00 C ATOM 997 C ILE A 69 4.779 -0.960 -6.282 1.00 0.00 C ATOM 998 O ILE A 69 4.706 0.266 -6.227 1.00 0.00 O ATOM 999 CB ILE A 69 2.701 -2.345 -6.851 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.767 -2.674 -8.018 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.032 -1.432 -5.821 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.305 -4.130 -7.957 1.00 0.00 C ATOM 0 H ILE A 69 4.496 -3.715 -7.847 1.00 0.00 H new ATOM 0 HA ILE A 69 3.730 -1.021 -8.125 1.00 0.00 H new ATOM 0 HB ILE A 69 2.931 -3.284 -6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.901 -2.013 -7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.280 -2.491 -8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.102 -1.888 -5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.700 -1.292 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.817 -0.466 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.643 -4.337 -8.798 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.172 -4.789 -8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.771 -4.303 -7.023 1.00 0.00 H new ATOM 1014 N GLN A 70 5.499 -1.707 -5.457 1.00 0.00 N ATOM 1015 CA GLN A 70 6.280 -1.103 -4.390 1.00 0.00 C ATOM 1016 C GLN A 70 7.244 -0.062 -4.962 1.00 0.00 C ATOM 1017 O GLN A 70 7.345 1.048 -4.441 1.00 0.00 O ATOM 1018 CB GLN A 70 7.035 -2.169 -3.593 1.00 0.00 C ATOM 1019 CG GLN A 70 7.719 -1.557 -2.369 1.00 0.00 C ATOM 1020 CD GLN A 70 9.139 -2.102 -2.204 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.451 -2.818 -1.268 1.00 0.00 O ATOM 1022 NE2 GLN A 70 9.979 -1.723 -3.164 1.00 0.00 N ATOM 0 H GLN A 70 5.558 -2.724 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 70 5.597 -0.600 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.343 -2.949 -3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.780 -2.645 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.752 -0.472 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.136 -1.776 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.652 -1.122 -3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.950 -2.034 -3.144 1.00 0.00 H new ATOM 1031 N ASN A 71 7.928 -0.455 -6.026 1.00 0.00 N ATOM 1032 CA ASN A 71 8.880 0.431 -6.674 1.00 0.00 C ATOM 1033 C ASN A 71 8.171 1.726 -7.077 1.00 0.00 C ATOM 1034 O ASN A 71 8.598 2.815 -6.695 1.00 0.00 O ATOM 1035 CB ASN A 71 9.454 -0.208 -7.940 1.00 0.00 C ATOM 1036 CG ASN A 71 10.974 -0.047 -7.995 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.732 -0.973 -7.756 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.376 1.178 -8.321 1.00 0.00 N ATOM 0 H ASN A 71 7.842 -1.376 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 71 9.690 0.628 -5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.196 -1.267 -7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.004 0.252 -8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.372 1.388 -8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.688 1.907 -8.509 1.00 0.00 H new ATOM 1045 N MET A 72 7.103 1.564 -7.844 1.00 0.00 N ATOM 1046 CA MET A 72 6.332 2.708 -8.304 1.00 0.00 C ATOM 1047 C MET A 72 6.177 3.747 -7.191 1.00 0.00 C ATOM 1048 O MET A 72 6.299 4.946 -7.436 1.00 0.00 O ATOM 1049 CB MET A 72 4.950 2.240 -8.762 1.00 0.00 C ATOM 1050 CG MET A 72 4.172 3.385 -9.415 1.00 0.00 C ATOM 1051 SD MET A 72 2.991 2.733 -10.584 1.00 0.00 S ATOM 1052 CE MET A 72 1.935 1.812 -9.476 1.00 0.00 C ATOM 0 H MET A 72 6.753 0.659 -8.159 1.00 0.00 H new ATOM 0 HA MET A 72 6.863 3.171 -9.136 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.057 1.418 -9.470 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.391 1.856 -7.909 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.656 3.967 -8.651 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.861 4.062 -9.921 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.011 1.546 -9.990 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.447 0.904 -9.157 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.702 2.423 -8.604 1.00 0.00 H new ATOM 1062 N LEU A 73 5.911 3.249 -5.993 1.00 0.00 N ATOM 1063 CA LEU A 73 5.737 4.119 -4.843 1.00 0.00 C ATOM 1064 C LEU A 73 7.023 4.916 -4.612 1.00 0.00 C ATOM 1065 O LEU A 73 7.017 6.144 -4.680 1.00 0.00 O ATOM 1066 CB LEU A 73 5.287 3.312 -3.623 1.00 0.00 C ATOM 1067 CG LEU A 73 3.822 3.471 -3.216 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.505 2.647 -1.966 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.460 4.947 -3.034 1.00 0.00 C ATOM 0 H LEU A 73 5.812 2.254 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 73 4.942 4.841 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.476 2.257 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.911 3.594 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 73 3.201 3.083 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.456 2.779 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.699 1.593 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.134 2.981 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.413 5.032 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.088 5.382 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.622 5.480 -3.971 1.00 0.00 H new ATOM 1081 N GLN A 74 8.095 4.184 -4.346 1.00 0.00 N ATOM 1082 CA GLN A 74 9.385 4.807 -4.106 1.00 0.00 C ATOM 1083 C GLN A 74 9.743 5.748 -5.258 1.00 0.00 C ATOM 1084 O GLN A 74 10.256 6.843 -5.033 1.00 0.00 O ATOM 1085 CB GLN A 74 10.474 3.751 -3.902 1.00 0.00 C ATOM 1086 CG GLN A 74 10.303 3.040 -2.558 1.00 0.00 C ATOM 1087 CD GLN A 74 9.233 1.952 -2.645 1.00 0.00 C ATOM 1088 OE1 GLN A 74 9.493 0.816 -3.008 1.00 0.00 O ATOM 1089 NE2 GLN A 74 8.016 2.360 -2.295 1.00 0.00 N ATOM 0 H GLN A 74 8.096 3.165 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 74 9.318 5.395 -3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.434 3.022 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.456 4.223 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.252 2.598 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.028 3.765 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.867 3.325 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.232 1.708 -2.321 1.00 0.00 H new ATOM 1098 N PHE A 75 9.459 5.286 -6.467 1.00 0.00 N ATOM 1099 CA PHE A 75 9.744 6.073 -7.655 1.00 0.00 C ATOM 1100 C PHE A 75 9.106 7.461 -7.560 1.00 0.00 C ATOM 1101 O PHE A 75 9.794 8.474 -7.677 1.00 0.00 O ATOM 1102 CB PHE A 75 9.136 5.326 -8.843 1.00 0.00 C ATOM 1103 CG PHE A 75 8.809 6.220 -10.040 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.603 6.846 -10.111 1.00 0.00 C ATOM 1105 CD2 PHE A 75 9.722 6.392 -11.032 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.298 7.677 -11.222 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.418 7.222 -12.143 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.213 7.848 -12.214 1.00 0.00 C ATOM 0 H PHE A 75 9.035 4.377 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 75 10.821 6.204 -7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.829 4.548 -9.163 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.224 4.826 -8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.877 6.711 -9.322 1.00 0.00 H new ATOM 0 HD2 PHE A 75 10.680 5.897 -10.975 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.340 8.173 -11.279 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.144 7.356 -12.932 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.982 8.481 -13.058 1.00 0.00 H new ATOM 1118 N TYR A 76 7.797 7.461 -7.348 1.00 0.00 N ATOM 1119 CA TYR A 76 7.058 8.707 -7.235 1.00 0.00 C ATOM 1120 C TYR A 76 7.356 9.404 -5.905 1.00 0.00 C ATOM 1121 O TYR A 76 7.777 10.558 -5.885 1.00 0.00 O ATOM 1122 CB TYR A 76 5.578 8.326 -7.279 1.00 0.00 C ATOM 1123 CG TYR A 76 4.992 8.262 -8.690 1.00 0.00 C ATOM 1124 CD1 TYR A 76 4.910 9.407 -9.456 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.547 7.058 -9.199 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.359 9.346 -10.785 1.00 0.00 C ATOM 1127 CE2 TYR A 76 3.996 6.998 -10.528 1.00 0.00 C ATOM 1128 CZ TYR A 76 3.929 8.145 -11.256 1.00 0.00 C ATOM 1129 OH TYR A 76 3.409 8.087 -12.510 1.00 0.00 O ATOM 0 H TYR A 76 7.230 6.618 -7.252 1.00 0.00 H new ATOM 0 HA TYR A 76 7.336 9.392 -8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.449 7.356 -6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.010 9.049 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.259 10.349 -9.059 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.612 6.161 -8.600 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.289 10.235 -11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.644 6.063 -10.938 1.00 0.00 H new ATOM 0 HH TYR A 76 3.145 7.165 -12.712 1.00 0.00 H new ATOM 1139 N ILE A 77 7.123 8.670 -4.826 1.00 0.00 N ATOM 1140 CA ILE A 77 7.360 9.202 -3.495 1.00 0.00 C ATOM 1141 C ILE A 77 8.689 8.662 -2.963 1.00 0.00 C ATOM 1142 O ILE A 77 8.812 7.470 -2.687 1.00 0.00 O ATOM 1143 CB ILE A 77 6.167 8.910 -2.581 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.861 9.390 -3.215 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.384 9.508 -1.190 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.618 10.871 -2.917 1.00 0.00 C ATOM 0 H ILE A 77 6.773 7.712 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 77 7.448 10.288 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 77 6.086 7.830 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.897 9.234 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.029 8.798 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.522 9.286 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.280 9.076 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.505 10.588 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.683 11.187 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.558 11.020 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.440 11.463 -3.320 1.00 0.00 H new ATOM 1158 N PRO A 78 9.676 9.589 -2.834 1.00 0.00 N ATOM 1159 CA PRO A 78 10.990 9.217 -2.341 1.00 0.00 C ATOM 1160 C PRO A 78 10.963 8.984 -0.829 1.00 0.00 C ATOM 1161 O PRO A 78 11.960 8.560 -0.244 1.00 0.00 O ATOM 1162 CB PRO A 78 11.902 10.363 -2.748 1.00 0.00 C ATOM 1163 CG PRO A 78 10.985 11.540 -3.042 1.00 0.00 C ATOM 1164 CD PRO A 78 9.566 11.009 -3.152 1.00 0.00 C ATOM 0 HA PRO A 78 11.344 8.275 -2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.605 10.605 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.493 10.099 -3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.053 12.285 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.281 12.033 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.897 11.519 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.163 11.160 -4.153 1.00 0.00 H new ATOM 1172 N GLU A 79 9.813 9.271 -0.238 1.00 0.00 N ATOM 1173 CA GLU A 79 9.643 9.098 1.194 1.00 0.00 C ATOM 1174 C GLU A 79 9.584 7.611 1.546 1.00 0.00 C ATOM 1175 O GLU A 79 10.480 7.089 2.208 1.00 0.00 O ATOM 1176 CB GLU A 79 8.394 9.829 1.690 1.00 0.00 C ATOM 1177 CG GLU A 79 8.524 11.340 1.485 1.00 0.00 C ATOM 1178 CD GLU A 79 8.327 12.090 2.804 1.00 0.00 C ATOM 1179 OE1 GLU A 79 7.679 11.507 3.698 1.00 0.00 O ATOM 1180 OE2 GLU A 79 8.830 13.232 2.887 1.00 0.00 O ATOM 0 H GLU A 79 8.989 9.623 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 79 10.505 9.536 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.517 9.460 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.238 9.614 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.506 11.572 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.786 11.677 0.757 1.00 0.00 H new ATOM 1187 N VAL A 80 8.520 6.968 1.086 1.00 0.00 N ATOM 1188 CA VAL A 80 8.331 5.550 1.344 1.00 0.00 C ATOM 1189 C VAL A 80 9.590 4.790 0.923 1.00 0.00 C ATOM 1190 O VAL A 80 10.407 5.305 0.161 1.00 0.00 O ATOM 1191 CB VAL A 80 7.069 5.054 0.637 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.946 5.663 -0.761 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.043 3.525 0.573 1.00 0.00 C ATOM 0 H VAL A 80 7.780 7.403 0.536 1.00 0.00 H new ATOM 0 HA VAL A 80 8.182 5.370 2.409 1.00 0.00 H new ATOM 0 HB VAL A 80 6.208 5.381 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.040 5.293 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.897 6.749 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.813 5.382 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.136 3.197 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.915 3.169 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.060 3.118 1.584 1.00 0.00 H new ATOM 1203 N GLU A 81 9.708 3.574 1.439 1.00 0.00 N ATOM 1204 CA GLU A 81 10.854 2.737 1.127 1.00 0.00 C ATOM 1205 C GLU A 81 10.390 1.358 0.654 1.00 0.00 C ATOM 1206 O GLU A 81 10.838 0.870 -0.382 1.00 0.00 O ATOM 1207 CB GLU A 81 11.790 2.617 2.331 1.00 0.00 C ATOM 1208 CG GLU A 81 12.521 3.936 2.591 1.00 0.00 C ATOM 1209 CD GLU A 81 14.033 3.765 2.431 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.656 3.286 3.402 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.533 4.118 1.340 1.00 0.00 O ATOM 0 H GLU A 81 9.029 3.149 2.071 1.00 0.00 H new ATOM 0 HA GLU A 81 11.414 3.208 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.218 2.334 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.516 1.823 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.162 4.698 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.296 4.289 3.597 1.00 0.00 H new ATOM 1218 N GLY A 82 9.499 0.768 1.437 1.00 0.00 N ATOM 1219 CA GLY A 82 8.968 -0.546 1.111 1.00 0.00 C ATOM 1220 C GLY A 82 7.479 -0.634 1.448 1.00 0.00 C ATOM 1221 O GLY A 82 6.868 0.357 1.845 1.00 0.00 O ATOM 0 H GLY A 82 9.131 1.175 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.117 -0.750 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.515 -1.310 1.663 1.00 0.00 H new ATOM 1225 N VAL A 83 6.937 -1.831 1.277 1.00 0.00 N ATOM 1226 CA VAL A 83 5.530 -2.063 1.557 1.00 0.00 C ATOM 1227 C VAL A 83 5.394 -3.248 2.516 1.00 0.00 C ATOM 1228 O VAL A 83 6.335 -4.022 2.689 1.00 0.00 O ATOM 1229 CB VAL A 83 4.761 -2.261 0.250 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.790 -0.989 -0.600 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.308 -3.456 -0.533 1.00 0.00 C ATOM 0 H VAL A 83 7.447 -2.651 0.948 1.00 0.00 H new ATOM 0 HA VAL A 83 5.091 -1.195 2.048 1.00 0.00 H new ATOM 0 HB VAL A 83 3.722 -2.473 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.236 -1.156 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.332 -0.170 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.823 -0.733 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.743 -3.574 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.359 -3.287 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.212 -4.360 0.069 1.00 0.00 H new ATOM 1241 N GLU A 84 4.216 -3.353 3.112 1.00 0.00 N ATOM 1242 CA GLU A 84 3.945 -4.431 4.049 1.00 0.00 C ATOM 1243 C GLU A 84 2.459 -4.794 4.025 1.00 0.00 C ATOM 1244 O GLU A 84 1.612 -3.980 4.389 1.00 0.00 O ATOM 1245 CB GLU A 84 4.395 -4.057 5.462 1.00 0.00 C ATOM 1246 CG GLU A 84 4.930 -5.279 6.210 1.00 0.00 C ATOM 1247 CD GLU A 84 3.967 -6.462 6.085 1.00 0.00 C ATOM 1248 OE1 GLU A 84 2.832 -6.327 6.592 1.00 0.00 O ATOM 1249 OE2 GLU A 84 4.388 -7.475 5.486 1.00 0.00 O ATOM 0 H GLU A 84 3.438 -2.710 2.965 1.00 0.00 H new ATOM 0 HA GLU A 84 4.518 -5.306 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.169 -3.291 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.558 -3.628 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.906 -5.556 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.074 -5.032 7.262 1.00 0.00 H new ATOM 1256 N GLN A 85 2.188 -6.016 3.593 1.00 0.00 N ATOM 1257 CA GLN A 85 0.818 -6.497 3.516 1.00 0.00 C ATOM 1258 C GLN A 85 0.272 -6.768 4.920 1.00 0.00 C ATOM 1259 O GLN A 85 0.183 -7.919 5.343 1.00 0.00 O ATOM 1260 CB GLN A 85 0.724 -7.748 2.640 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.704 -8.297 2.621 1.00 0.00 C ATOM 1262 CD GLN A 85 -0.806 -9.589 3.436 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.350 -9.622 4.527 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -0.254 -10.644 2.846 1.00 0.00 N ATOM 0 H GLN A 85 2.893 -6.689 3.292 1.00 0.00 H new ATOM 0 HA GLN A 85 0.207 -5.723 3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.040 -7.510 1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.406 -8.511 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.389 -7.552 3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.011 -8.486 1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.185 -10.545 1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.269 -11.553 3.308 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.079 -5.687 5.602 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.614 -5.794 6.948 1.00 0.00 C ATOM 1275 C VAL A 86 -1.912 -6.603 6.915 1.00 0.00 C ATOM 1276 O VAL A 86 -2.537 -6.737 5.863 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.795 -4.399 7.552 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.557 -3.778 7.910 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.583 -3.491 6.606 1.00 0.00 C ATOM 0 H VAL A 86 -0.003 -4.734 5.247 1.00 0.00 H new ATOM 0 HA VAL A 86 0.084 -6.326 7.594 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.370 -4.503 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.401 -2.787 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.067 -4.410 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.168 -3.693 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.698 -2.506 7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.047 -3.396 5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.567 -3.923 6.423 1.00 0.00 H new