USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 85 ASN : amide:sc= 0.367 K(o=0.81,f=0.031) USER MOD Set 1.2: A 86 GLN : amide:sc= 0.447 K(o=0.81,f=0.031) USER MOD Set 2.1: A 74 GLN : amide:sc= -3.72 X(o=-3.8,f=-3.6!) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.0637 K(o=-3.8,f=-5.6) USER MOD Set 3.1: A 45 SER OG : rot 180:sc=-0.00883 USER MOD Set 3.2: A 52 SER OG : rot 48:sc= -1.55! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 24 THR OG1 : rot -95:sc= 0.606 USER MOD Single : A 25 SER OG : rot -9:sc= 0.892 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=0.000512 USER MOD Single : A 40 TYR OH : rot 2:sc= -4.29! USER MOD Single : A 44 TYR OH : rot 180:sc= -1.78! USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.098 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 60 THR OG1 : rot -36:sc= 1.11 USER MOD Single : A 62 ASN : amide:sc=-0.000696 K(o=-0.0007,f=-2.5!) USER MOD Single : A 63 SER OG : rot 24:sc= 0.0589 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.205 K(o=-0.2,f=-3.7!) USER MOD Single : A 75 TYR OH : rot 150:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 100:sc= 1.2 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.82 F(o=-3.2!,f=-0.82) USER MOD Single : A 97 THR OG1 : rot 167:sc= 1.93 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 1.825 -11.529 4.406 1.00 0.00 N ATOM 142 CA ALA A 12 1.993 -10.183 3.890 1.00 0.00 C ATOM 143 C ALA A 12 3.430 -9.732 4.087 1.00 0.00 C ATOM 144 O ALA A 12 4.106 -10.192 5.009 1.00 0.00 O ATOM 145 CB ALA A 12 1.065 -9.229 4.620 1.00 0.00 C ATOM 0 HA ALA A 12 1.752 -10.181 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.197 -8.221 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.032 -9.543 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.299 -9.237 5.685 1.00 0.00 H new ATOM 151 N PRO A 13 3.920 -8.839 3.221 1.00 0.00 N ATOM 152 CA PRO A 13 5.246 -8.243 3.378 1.00 0.00 C ATOM 153 C PRO A 13 5.404 -7.542 4.724 1.00 0.00 C ATOM 154 O PRO A 13 4.543 -6.752 5.121 1.00 0.00 O ATOM 155 CB PRO A 13 5.307 -7.213 2.249 1.00 0.00 C ATOM 156 CG PRO A 13 4.344 -7.706 1.232 1.00 0.00 C ATOM 157 CD PRO A 13 3.235 -8.350 2.011 1.00 0.00 C ATOM 0 HA PRO A 13 6.036 -8.993 3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.033 -6.220 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.313 -7.137 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.969 -6.888 0.618 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.816 -8.420 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.446 -7.638 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.770 -9.163 1.454 1.00 0.00 H new ATOM 165 N PRO A 14 6.485 -7.858 5.463 1.00 0.00 N ATOM 166 CA PRO A 14 6.854 -7.128 6.677 1.00 0.00 C ATOM 167 C PRO A 14 6.792 -5.623 6.461 1.00 0.00 C ATOM 168 O PRO A 14 7.082 -5.144 5.361 1.00 0.00 O ATOM 169 CB PRO A 14 8.289 -7.584 6.930 1.00 0.00 C ATOM 170 CG PRO A 14 8.341 -8.963 6.374 1.00 0.00 C ATOM 171 CD PRO A 14 7.414 -8.972 5.188 1.00 0.00 C ATOM 0 HA PRO A 14 6.183 -7.327 7.513 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.007 -6.929 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.527 -7.575 7.994 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.356 -9.225 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.028 -9.695 7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.956 -8.820 4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.886 -9.921 5.099 1.00 0.00 H new ATOM 179 N ASP A 15 6.425 -4.906 7.531 1.00 0.00 N ATOM 180 CA ASP A 15 6.078 -3.477 7.476 1.00 0.00 C ATOM 181 C ASP A 15 6.937 -2.702 6.488 1.00 0.00 C ATOM 182 O ASP A 15 8.112 -2.429 6.748 1.00 0.00 O ATOM 183 CB ASP A 15 6.208 -2.842 8.862 1.00 0.00 C ATOM 184 CG ASP A 15 5.223 -3.408 9.860 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.541 -4.435 10.494 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.129 -2.829 10.024 1.00 0.00 O ATOM 0 H ASP A 15 6.360 -5.303 8.468 1.00 0.00 H new ATOM 0 HA ASP A 15 5.045 -3.423 7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.222 -2.994 9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.057 -1.766 8.779 1.00 0.00 H new ATOM 191 N PRO A 16 6.342 -2.337 5.344 1.00 0.00 N ATOM 192 CA PRO A 16 7.013 -1.562 4.293 1.00 0.00 C ATOM 193 C PRO A 16 7.375 -0.159 4.752 1.00 0.00 C ATOM 194 O PRO A 16 6.707 0.427 5.605 1.00 0.00 O ATOM 195 CB PRO A 16 5.971 -1.513 3.158 1.00 0.00 C ATOM 196 CG PRO A 16 5.052 -2.636 3.463 1.00 0.00 C ATOM 197 CD PRO A 16 4.968 -2.678 4.957 1.00 0.00 C ATOM 0 HA PRO A 16 7.959 -2.014 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.444 -0.559 3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.439 -1.635 2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.070 -2.474 3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.432 -3.576 3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.244 -1.962 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.672 -3.661 5.323 1.00 0.00 H new ATOM 205 N THR A 17 8.436 0.366 4.181 1.00 0.00 N ATOM 206 CA THR A 17 8.943 1.671 4.561 1.00 0.00 C ATOM 207 C THR A 17 8.648 2.700 3.493 1.00 0.00 C ATOM 208 O THR A 17 8.875 2.478 2.303 1.00 0.00 O ATOM 209 CB THR A 17 10.461 1.614 4.825 1.00 0.00 C ATOM 210 OG1 THR A 17 10.759 0.524 5.709 1.00 0.00 O ATOM 211 CG2 THR A 17 10.963 2.914 5.438 1.00 0.00 C ATOM 0 H THR A 17 8.971 -0.094 3.444 1.00 0.00 H new ATOM 0 HA THR A 17 8.436 1.966 5.480 1.00 0.00 H new ATOM 0 HB THR A 17 10.965 1.466 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.725 0.490 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.037 2.843 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.760 3.740 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.452 3.091 6.385 1.00 0.00 H new ATOM 219 N VAL A 18 8.098 3.806 3.941 1.00 0.00 N ATOM 220 CA VAL A 18 7.855 4.954 3.083 1.00 0.00 C ATOM 221 C VAL A 18 9.124 5.794 2.967 1.00 0.00 C ATOM 222 O VAL A 18 9.667 6.269 3.968 1.00 0.00 O ATOM 223 CB VAL A 18 6.691 5.827 3.600 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.543 7.093 2.756 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.390 5.032 3.609 1.00 0.00 C ATOM 0 H VAL A 18 7.805 3.940 4.909 1.00 0.00 H new ATOM 0 HA VAL A 18 7.572 4.577 2.100 1.00 0.00 H new ATOM 0 HB VAL A 18 6.919 6.127 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.717 7.692 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.465 7.673 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.342 6.818 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.581 5.663 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.160 4.699 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.498 4.165 4.260 1.00 0.00 H new ATOM 235 N ASP A 19 9.589 5.961 1.738 1.00 0.00 N ATOM 236 CA ASP A 19 10.849 6.645 1.461 1.00 0.00 C ATOM 237 C ASP A 19 10.668 8.162 1.483 1.00 0.00 C ATOM 238 O ASP A 19 11.436 8.877 2.125 1.00 0.00 O ATOM 239 CB ASP A 19 11.388 6.202 0.097 1.00 0.00 C ATOM 240 CG ASP A 19 12.767 6.756 -0.211 1.00 0.00 C ATOM 241 OD1 ASP A 19 12.870 7.926 -0.628 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.756 6.014 -0.060 1.00 0.00 O ATOM 0 H ASP A 19 9.106 5.628 0.904 1.00 0.00 H new ATOM 0 HA ASP A 19 11.563 6.378 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.426 5.113 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.694 6.520 -0.681 1.00 0.00 H new ATOM 247 N GLN A 20 9.642 8.643 0.791 1.00 0.00 N ATOM 248 CA GLN A 20 9.384 10.077 0.692 1.00 0.00 C ATOM 249 C GLN A 20 7.907 10.370 0.877 1.00 0.00 C ATOM 250 O GLN A 20 7.049 9.629 0.390 1.00 0.00 O ATOM 251 CB GLN A 20 9.839 10.629 -0.664 1.00 0.00 C ATOM 252 CG GLN A 20 11.343 10.597 -0.876 1.00 0.00 C ATOM 253 CD GLN A 20 11.769 11.227 -2.190 1.00 0.00 C ATOM 254 OE1 GLN A 20 10.905 11.165 -3.193 1.00 0.00 O flip ATOM 255 NE2 GLN A 20 12.869 11.769 -2.301 1.00 0.00 N flip ATOM 0 H GLN A 20 8.973 8.060 0.288 1.00 0.00 H new ATOM 0 HA GLN A 20 9.953 10.565 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.359 10.055 -1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.492 11.658 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.832 11.119 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.687 9.563 -0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.507 11.796 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.143 12.191 -3.189 1.00 0.00 H new ATOM 264 N VAL A 21 7.625 11.454 1.582 1.00 0.00 N ATOM 265 CA VAL A 21 6.257 11.884 1.817 1.00 0.00 C ATOM 266 C VAL A 21 6.053 13.338 1.385 1.00 0.00 C ATOM 267 O VAL A 21 6.433 14.277 2.087 1.00 0.00 O ATOM 268 CB VAL A 21 5.843 11.702 3.299 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.610 10.232 3.614 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.896 12.275 4.238 1.00 0.00 C ATOM 0 H VAL A 21 8.332 12.056 2.004 1.00 0.00 H new ATOM 0 HA VAL A 21 5.615 11.247 1.209 1.00 0.00 H new ATOM 0 HB VAL A 21 4.912 12.248 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.320 10.125 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.816 9.845 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.527 9.671 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.578 12.133 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.845 11.763 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.020 13.340 4.040 1.00 0.00 H new ATOM 280 N ASP A 22 5.455 13.513 0.218 1.00 0.00 N ATOM 281 CA ASP A 22 5.195 14.840 -0.326 1.00 0.00 C ATOM 282 C ASP A 22 3.761 15.258 -0.027 1.00 0.00 C ATOM 283 O ASP A 22 3.134 14.720 0.883 1.00 0.00 O ATOM 284 CB ASP A 22 5.442 14.857 -1.839 1.00 0.00 C ATOM 285 CG ASP A 22 6.910 14.746 -2.202 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.605 15.784 -2.200 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.376 13.625 -2.512 1.00 0.00 O ATOM 0 H ASP A 22 5.137 12.747 -0.376 1.00 0.00 H new ATOM 0 HA ASP A 22 5.876 15.547 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.896 14.033 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.039 15.780 -2.257 1.00 0.00 H new ATOM 292 N ASP A 23 3.249 16.223 -0.777 1.00 0.00 N ATOM 293 CA ASP A 23 1.869 16.668 -0.613 1.00 0.00 C ATOM 294 C ASP A 23 0.913 15.702 -1.285 1.00 0.00 C ATOM 295 O ASP A 23 -0.023 15.200 -0.669 1.00 0.00 O ATOM 296 CB ASP A 23 1.672 18.081 -1.189 1.00 0.00 C ATOM 297 CG ASP A 23 2.034 18.205 -2.658 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.208 17.969 -3.010 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.148 18.541 -3.468 1.00 0.00 O ATOM 0 H ASP A 23 3.767 16.714 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 23 1.654 16.695 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.631 18.375 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.277 18.784 -0.616 1.00 0.00 H new ATOM 304 N THR A 24 1.180 15.431 -2.543 1.00 0.00 N ATOM 305 CA THR A 24 0.280 14.658 -3.372 1.00 0.00 C ATOM 306 C THR A 24 0.977 13.416 -3.926 1.00 0.00 C ATOM 307 O THR A 24 0.683 12.957 -5.025 1.00 0.00 O ATOM 308 CB THR A 24 -0.237 15.552 -4.512 1.00 0.00 C ATOM 309 OG1 THR A 24 0.871 16.189 -5.164 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.169 16.622 -3.959 1.00 0.00 C ATOM 0 H THR A 24 2.027 15.740 -3.021 1.00 0.00 H new ATOM 0 HA THR A 24 -0.561 14.315 -2.770 1.00 0.00 H new ATOM 0 HB THR A 24 -0.781 14.932 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.009 17.079 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.528 17.249 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.017 16.147 -3.466 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.630 17.238 -3.239 1.00 0.00 H new ATOM 318 N SER A 25 1.871 12.852 -3.118 1.00 0.00 N ATOM 319 CA SER A 25 2.740 11.749 -3.534 1.00 0.00 C ATOM 320 C SER A 25 3.458 11.147 -2.321 1.00 0.00 C ATOM 321 O SER A 25 4.038 11.872 -1.514 1.00 0.00 O ATOM 322 CB SER A 25 3.780 12.217 -4.566 1.00 0.00 C ATOM 323 OG SER A 25 3.165 12.661 -5.765 1.00 0.00 O ATOM 0 H SER A 25 2.015 13.147 -2.152 1.00 0.00 H new ATOM 0 HA SER A 25 2.110 10.989 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.376 13.025 -4.142 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.465 11.399 -4.789 1.00 0.00 H new ATOM 0 HG SER A 25 2.209 12.447 -5.741 1.00 0.00 H new ATOM 329 N ILE A 26 3.407 9.828 -2.196 1.00 0.00 N ATOM 330 CA ILE A 26 4.095 9.113 -1.108 1.00 0.00 C ATOM 331 C ILE A 26 4.602 7.778 -1.632 1.00 0.00 C ATOM 332 O ILE A 26 3.890 7.105 -2.349 1.00 0.00 O ATOM 333 CB ILE A 26 3.162 8.869 0.113 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.008 10.140 0.949 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.670 7.732 0.988 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.093 9.970 2.147 1.00 0.00 C ATOM 0 H ILE A 26 2.895 9.220 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 26 4.925 9.734 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 26 2.186 8.587 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.991 10.459 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.619 10.937 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.993 7.591 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.716 6.814 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.665 7.975 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.031 10.911 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.098 9.681 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.492 9.195 2.802 1.00 0.00 H new ATOM 348 N VAL A 27 5.813 7.381 -1.288 1.00 0.00 N ATOM 349 CA VAL A 27 6.354 6.158 -1.851 1.00 0.00 C ATOM 350 C VAL A 27 6.574 5.131 -0.767 1.00 0.00 C ATOM 351 O VAL A 27 7.222 5.419 0.233 1.00 0.00 O ATOM 352 CB VAL A 27 7.684 6.388 -2.571 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.132 5.094 -3.230 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.562 7.507 -3.592 1.00 0.00 C ATOM 0 H VAL A 27 6.427 7.872 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 27 5.622 5.801 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 27 8.435 6.693 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.080 5.256 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.259 4.323 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.379 4.773 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.521 7.651 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.805 7.244 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.273 8.429 -3.088 1.00 0.00 H new ATOM 364 N VAL A 28 6.062 3.930 -0.965 1.00 0.00 N ATOM 365 CA VAL A 28 6.182 2.902 0.049 1.00 0.00 C ATOM 366 C VAL A 28 6.824 1.657 -0.548 1.00 0.00 C ATOM 367 O VAL A 28 6.594 1.344 -1.709 1.00 0.00 O ATOM 368 CB VAL A 28 4.812 2.555 0.683 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.799 3.656 0.470 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.282 1.230 0.184 1.00 0.00 C ATOM 0 H VAL A 28 5.565 3.646 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 28 6.818 3.289 0.845 1.00 0.00 H new ATOM 0 HB VAL A 28 4.978 2.462 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.852 3.373 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.162 4.578 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.651 3.813 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.320 1.023 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.157 1.272 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.986 0.438 0.437 1.00 0.00 H new ATOM 380 N ARG A 29 7.633 0.966 0.245 1.00 0.00 N ATOM 381 CA ARG A 29 8.374 -0.202 -0.235 1.00 0.00 C ATOM 382 C ARG A 29 8.180 -1.379 0.703 1.00 0.00 C ATOM 383 O ARG A 29 8.557 -1.313 1.871 1.00 0.00 O ATOM 384 CB ARG A 29 9.869 0.112 -0.326 1.00 0.00 C ATOM 385 CG ARG A 29 10.195 1.454 -0.958 1.00 0.00 C ATOM 386 CD ARG A 29 11.691 1.717 -0.945 1.00 0.00 C ATOM 387 NE ARG A 29 12.265 1.526 0.389 1.00 0.00 N ATOM 388 CZ ARG A 29 13.358 2.146 0.831 1.00 0.00 C ATOM 389 NH1 ARG A 29 13.991 3.019 0.059 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.816 1.886 2.049 1.00 0.00 N ATOM 0 H ARG A 29 7.795 1.192 1.226 1.00 0.00 H new ATOM 0 HA ARG A 29 7.991 -0.456 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.295 0.084 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.358 -0.674 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.828 1.475 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.679 2.248 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.184 1.049 -1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.884 2.736 -1.281 1.00 0.00 H new ATOM 0 HE ARG A 29 11.797 0.876 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.641 3.219 -0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.827 3.491 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.331 1.213 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.653 2.359 2.391 1.00 0.00 H new ATOM 404 N TRP A 30 7.652 -2.466 0.162 1.00 0.00 N ATOM 405 CA TRP A 30 7.278 -3.634 0.960 1.00 0.00 C ATOM 406 C TRP A 30 8.228 -4.809 0.742 1.00 0.00 C ATOM 407 O TRP A 30 8.733 -5.023 -0.362 1.00 0.00 O ATOM 408 CB TRP A 30 5.825 -4.058 0.664 1.00 0.00 C ATOM 409 CG TRP A 30 5.501 -4.214 -0.784 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.692 -5.317 -1.541 1.00 0.00 C ATOM 411 CD2 TRP A 30 4.882 -3.251 -1.631 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.269 -5.093 -2.823 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.756 -3.834 -2.902 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.432 -1.950 -1.442 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.193 -3.163 -3.975 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.868 -1.287 -2.507 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.752 -1.892 -3.756 1.00 0.00 C ATOM 0 H TRP A 30 7.470 -2.568 -0.836 1.00 0.00 H new ATOM 0 HA TRP A 30 7.354 -3.341 2.007 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.627 -5.003 1.170 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.151 -3.318 1.095 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.118 -6.243 -1.185 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.328 -5.759 -3.593 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.523 -1.469 -0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.107 -3.628 -4.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.508 -0.278 -2.372 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.303 -1.342 -4.569 1.00 0.00 H new ATOM 428 N SER A 31 8.470 -5.561 1.811 1.00 0.00 N ATOM 429 CA SER A 31 9.328 -6.738 1.756 1.00 0.00 C ATOM 430 C SER A 31 8.528 -7.963 1.316 1.00 0.00 C ATOM 431 O SER A 31 7.963 -8.680 2.139 1.00 0.00 O ATOM 432 CB SER A 31 9.959 -6.982 3.126 1.00 0.00 C ATOM 433 OG SER A 31 10.593 -5.809 3.612 1.00 0.00 O ATOM 0 H SER A 31 8.079 -5.373 2.734 1.00 0.00 H new ATOM 0 HA SER A 31 10.118 -6.564 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.192 -7.304 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.687 -7.790 3.056 1.00 0.00 H new ATOM 0 HG SER A 31 10.987 -5.990 4.491 1.00 0.00 H new ATOM 439 N ARG A 32 8.490 -8.170 0.007 1.00 0.00 N ATOM 440 CA ARG A 32 7.705 -9.229 -0.638 1.00 0.00 C ATOM 441 C ARG A 32 7.854 -10.594 0.054 1.00 0.00 C ATOM 442 O ARG A 32 8.892 -10.897 0.647 1.00 0.00 O ATOM 443 CB ARG A 32 8.108 -9.340 -2.112 1.00 0.00 C ATOM 444 CG ARG A 32 8.234 -7.991 -2.805 1.00 0.00 C ATOM 445 CD ARG A 32 9.635 -7.410 -2.669 1.00 0.00 C ATOM 446 NE ARG A 32 10.538 -7.905 -3.707 1.00 0.00 N ATOM 447 CZ ARG A 32 11.850 -7.671 -3.731 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.421 -6.933 -2.785 1.00 0.00 N ATOM 449 NH2 ARG A 32 12.595 -8.177 -4.703 1.00 0.00 N ATOM 0 H ARG A 32 9.013 -7.598 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 32 6.655 -8.949 -0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.059 -9.867 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.369 -9.944 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.988 -8.101 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.510 -7.296 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.583 -6.323 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.038 -7.662 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 32 10.139 -8.465 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.855 -6.541 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.426 -6.759 -2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.164 -8.745 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.599 -7.998 -4.722 1.00 0.00 H new ATOM 463 N PRO A 33 6.811 -11.445 -0.058 1.00 0.00 N ATOM 464 CA PRO A 33 6.674 -12.686 0.706 1.00 0.00 C ATOM 465 C PRO A 33 7.376 -13.873 0.059 1.00 0.00 C ATOM 466 O PRO A 33 7.769 -13.826 -1.109 1.00 0.00 O ATOM 467 CB PRO A 33 5.148 -12.933 0.692 1.00 0.00 C ATOM 468 CG PRO A 33 4.552 -11.816 -0.111 1.00 0.00 C ATOM 469 CD PRO A 33 5.669 -11.291 -0.956 1.00 0.00 C ATOM 0 HA PRO A 33 7.122 -12.592 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.914 -13.900 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.746 -12.942 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.727 -12.173 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.151 -11.037 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.791 -11.863 -1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.511 -10.252 -1.245 1.00 0.00 H new ATOM 477 N GLN A 34 7.522 -14.940 0.839 1.00 0.00 N ATOM 478 CA GLN A 34 8.019 -16.209 0.327 1.00 0.00 C ATOM 479 C GLN A 34 6.914 -16.904 -0.454 1.00 0.00 C ATOM 480 O GLN A 34 7.173 -17.785 -1.276 1.00 0.00 O ATOM 481 CB GLN A 34 8.486 -17.112 1.466 1.00 0.00 C ATOM 482 CG GLN A 34 9.571 -16.502 2.336 1.00 0.00 C ATOM 483 CD GLN A 34 9.923 -17.384 3.518 1.00 0.00 C ATOM 484 OE1 GLN A 34 9.326 -17.272 4.589 1.00 0.00 O ATOM 485 NE2 GLN A 34 10.889 -18.269 3.337 1.00 0.00 N ATOM 0 H GLN A 34 7.301 -14.948 1.835 1.00 0.00 H new ATOM 0 HA GLN A 34 8.870 -16.012 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.630 -17.360 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.855 -18.047 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.464 -16.331 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.240 -15.529 2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.361 -18.332 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.162 -18.889 4.100 1.00 0.00 H new ATOM 494 N ALA A 35 5.677 -16.504 -0.174 1.00 0.00 N ATOM 495 CA ALA A 35 4.518 -17.000 -0.896 1.00 0.00 C ATOM 496 C ALA A 35 4.621 -16.666 -2.373 1.00 0.00 C ATOM 497 O ALA A 35 5.015 -15.551 -2.728 1.00 0.00 O ATOM 498 CB ALA A 35 3.252 -16.374 -0.335 1.00 0.00 C ATOM 0 H ALA A 35 5.454 -15.829 0.558 1.00 0.00 H new ATOM 0 HA ALA A 35 4.482 -18.083 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.387 -16.750 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.155 -16.631 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.304 -15.290 -0.441 1.00 0.00 H new ATOM 504 N PRO A 36 4.301 -17.614 -3.261 1.00 0.00 N ATOM 505 CA PRO A 36 4.183 -17.307 -4.675 1.00 0.00 C ATOM 506 C PRO A 36 2.947 -16.455 -4.910 1.00 0.00 C ATOM 507 O PRO A 36 1.818 -16.920 -4.759 1.00 0.00 O ATOM 508 CB PRO A 36 4.031 -18.679 -5.348 1.00 0.00 C ATOM 509 CG PRO A 36 4.347 -19.688 -4.290 1.00 0.00 C ATOM 510 CD PRO A 36 4.044 -19.029 -2.975 1.00 0.00 C ATOM 0 HA PRO A 36 5.034 -16.750 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.020 -18.817 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.709 -18.776 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.748 -20.589 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.393 -19.991 -4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.013 -19.199 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.684 -19.404 -2.176 1.00 0.00 H new ATOM 518 N ILE A 37 3.170 -15.221 -5.309 1.00 0.00 N ATOM 519 CA ILE A 37 2.096 -14.261 -5.462 1.00 0.00 C ATOM 520 C ILE A 37 2.004 -13.815 -6.922 1.00 0.00 C ATOM 521 O ILE A 37 2.991 -13.873 -7.654 1.00 0.00 O ATOM 522 CB ILE A 37 2.324 -13.030 -4.543 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.668 -12.383 -4.871 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.262 -13.407 -3.051 1.00 0.00 C ATOM 525 CD1 ILE A 37 3.985 -11.191 -4.010 1.00 0.00 C ATOM 0 H ILE A 37 4.095 -14.856 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 37 1.160 -14.738 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 37 1.520 -12.318 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.458 -13.125 -4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.669 -12.077 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.427 -12.517 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.282 -13.826 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.033 -14.145 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.953 -10.782 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.215 -10.431 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.016 -11.496 -2.964 1.00 0.00 H new ATOM 537 N THR A 38 0.817 -13.402 -7.343 1.00 0.00 N ATOM 538 CA THR A 38 0.586 -12.957 -8.708 1.00 0.00 C ATOM 539 C THR A 38 0.704 -11.443 -8.851 1.00 0.00 C ATOM 540 O THR A 38 0.979 -10.943 -9.943 1.00 0.00 O ATOM 541 CB THR A 38 -0.798 -13.397 -9.213 1.00 0.00 C ATOM 542 OG1 THR A 38 -1.788 -13.172 -8.203 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.786 -14.853 -9.613 1.00 0.00 C ATOM 0 H THR A 38 -0.011 -13.366 -6.748 1.00 0.00 H new ATOM 0 HA THR A 38 1.363 -13.425 -9.312 1.00 0.00 H new ATOM 0 HB THR A 38 -1.046 -12.802 -10.092 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.665 -13.455 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.776 -15.141 -9.967 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.057 -15.006 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.516 -15.465 -8.752 1.00 0.00 H new ATOM 551 N GLY A 39 0.495 -10.704 -7.767 1.00 0.00 N ATOM 552 CA GLY A 39 0.575 -9.265 -7.855 1.00 0.00 C ATOM 553 C GLY A 39 0.437 -8.577 -6.520 1.00 0.00 C ATOM 554 O GLY A 39 0.613 -9.195 -5.471 1.00 0.00 O ATOM 0 H GLY A 39 0.275 -11.073 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.530 -8.988 -8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.207 -8.905 -8.524 1.00 0.00 H new ATOM 558 N TYR A 40 0.126 -7.292 -6.566 1.00 0.00 N ATOM 559 CA TYR A 40 -0.150 -6.517 -5.372 1.00 0.00 C ATOM 560 C TYR A 40 -1.312 -5.569 -5.589 1.00 0.00 C ATOM 561 O TYR A 40 -1.366 -4.862 -6.596 1.00 0.00 O ATOM 562 CB TYR A 40 1.063 -5.694 -4.948 1.00 0.00 C ATOM 563 CG TYR A 40 2.096 -6.485 -4.192 1.00 0.00 C ATOM 564 CD1 TYR A 40 3.042 -7.248 -4.854 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.108 -6.478 -2.807 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.975 -7.981 -4.155 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.031 -7.211 -2.102 1.00 0.00 C ATOM 568 CZ TYR A 40 3.964 -7.956 -2.778 1.00 0.00 C ATOM 569 OH TYR A 40 4.881 -8.688 -2.072 1.00 0.00 O ATOM 0 H TYR A 40 0.058 -6.759 -7.433 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.398 -7.234 -4.589 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.526 -5.262 -5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.728 -4.863 -4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.049 -7.269 -5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.379 -5.886 -2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.710 -8.571 -4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.022 -7.201 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 40 5.486 -9.143 -2.695 1.00 0.00 H new ATOM 579 N ARG A 41 -2.245 -5.576 -4.657 1.00 0.00 N ATOM 580 CA ARG A 41 -3.237 -4.518 -4.576 1.00 0.00 C ATOM 581 C ARG A 41 -2.760 -3.513 -3.564 1.00 0.00 C ATOM 582 O ARG A 41 -2.049 -3.867 -2.639 1.00 0.00 O ATOM 583 CB ARG A 41 -4.579 -5.042 -4.125 1.00 0.00 C ATOM 584 CG ARG A 41 -4.916 -6.399 -4.698 1.00 0.00 C ATOM 585 CD ARG A 41 -5.469 -6.297 -6.108 1.00 0.00 C ATOM 586 NE ARG A 41 -6.715 -5.529 -6.149 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.929 -6.070 -6.254 1.00 0.00 C ATOM 588 NH1 ARG A 41 -8.078 -7.388 -6.325 1.00 0.00 N ATOM 589 NH2 ARG A 41 -8.995 -5.283 -6.283 1.00 0.00 N ATOM 0 H ARG A 41 -2.338 -6.301 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.357 -4.078 -5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.590 -5.102 -3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.354 -4.331 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.022 -7.023 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.646 -6.893 -4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.730 -5.825 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.646 -7.298 -6.502 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.650 -4.513 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.259 -7.996 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.011 -7.792 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.883 -4.271 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.927 -5.690 -6.363 1.00 0.00 H new ATOM 603 N ILE A 42 -3.094 -2.266 -3.748 1.00 0.00 N ATOM 604 CA ILE A 42 -2.650 -1.253 -2.803 1.00 0.00 C ATOM 605 C ILE A 42 -3.730 -0.238 -2.494 1.00 0.00 C ATOM 606 O ILE A 42 -3.997 0.629 -3.306 1.00 0.00 O ATOM 607 CB ILE A 42 -1.413 -0.526 -3.353 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.397 -1.548 -3.845 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.799 0.369 -2.285 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.740 -0.955 -4.622 1.00 0.00 C ATOM 0 H ILE A 42 -3.660 -1.921 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.403 -1.769 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.714 0.106 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.005 -2.087 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.908 -2.280 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.076 0.875 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.532 1.110 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.501 -0.237 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.419 -1.748 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.351 -0.441 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.278 -0.244 -3.994 1.00 0.00 H new ATOM 622 N VAL A 43 -4.294 -0.295 -1.298 1.00 0.00 N ATOM 623 CA VAL A 43 -5.326 0.657 -0.921 1.00 0.00 C ATOM 624 C VAL A 43 -4.804 1.631 0.113 1.00 0.00 C ATOM 625 O VAL A 43 -4.562 1.275 1.261 1.00 0.00 O ATOM 626 CB VAL A 43 -6.607 -0.017 -0.381 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.583 1.022 0.136 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.263 -0.859 -1.456 1.00 0.00 C ATOM 0 H VAL A 43 -4.059 -0.981 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.593 1.186 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.322 -0.668 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.478 0.526 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.117 1.589 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.856 1.699 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.163 -1.325 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.528 -0.226 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.570 -1.633 -1.785 1.00 0.00 H new ATOM 638 N TYR A 44 -4.635 2.860 -0.306 1.00 0.00 N ATOM 639 CA TYR A 44 -4.211 3.916 0.575 1.00 0.00 C ATOM 640 C TYR A 44 -5.330 4.903 0.742 1.00 0.00 C ATOM 641 O TYR A 44 -5.904 5.393 -0.235 1.00 0.00 O ATOM 642 CB TYR A 44 -2.922 4.586 0.080 1.00 0.00 C ATOM 643 CG TYR A 44 -2.811 4.713 -1.424 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.603 3.589 -2.215 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.891 5.948 -2.050 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.478 3.687 -3.580 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.769 6.057 -3.419 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.561 4.926 -4.180 1.00 0.00 C ATOM 649 OH TYR A 44 -2.436 5.041 -5.541 1.00 0.00 O ATOM 0 H TYR A 44 -4.788 3.156 -1.270 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.974 3.490 1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.854 5.581 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.069 4.016 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.538 2.618 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.051 6.836 -1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.316 2.802 -4.177 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.836 7.025 -3.894 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.520 5.983 -5.799 1.00 0.00 H new ATOM 659 N SER A 45 -5.665 5.135 1.994 1.00 0.00 N ATOM 660 CA SER A 45 -6.812 5.955 2.345 1.00 0.00 C ATOM 661 C SER A 45 -6.509 6.856 3.542 1.00 0.00 C ATOM 662 O SER A 45 -5.838 6.447 4.490 1.00 0.00 O ATOM 663 CB SER A 45 -8.005 5.052 2.663 1.00 0.00 C ATOM 664 OG SER A 45 -8.235 4.127 1.611 1.00 0.00 O ATOM 0 H SER A 45 -5.155 4.764 2.795 1.00 0.00 H new ATOM 0 HA SER A 45 -7.047 6.596 1.495 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.821 4.513 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.896 5.661 2.819 1.00 0.00 H new ATOM 0 HG SER A 45 -9.001 3.559 1.836 1.00 0.00 H new ATOM 670 N PRO A 46 -7.013 8.097 3.500 1.00 0.00 N ATOM 671 CA PRO A 46 -6.856 9.078 4.585 1.00 0.00 C ATOM 672 C PRO A 46 -7.643 8.685 5.828 1.00 0.00 C ATOM 673 O PRO A 46 -8.623 7.943 5.748 1.00 0.00 O ATOM 674 CB PRO A 46 -7.440 10.351 3.981 1.00 0.00 C ATOM 675 CG PRO A 46 -8.423 9.862 2.981 1.00 0.00 C ATOM 676 CD PRO A 46 -7.797 8.644 2.381 1.00 0.00 C ATOM 0 HA PRO A 46 -5.820 9.171 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.919 10.969 4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.667 10.961 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.377 9.624 3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.621 10.618 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.547 7.936 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.166 8.892 1.528 1.00 0.00 H new ATOM 744 N SER A 52 -8.360 8.399 -1.624 1.00 0.00 N ATOM 745 CA SER A 52 -8.084 6.974 -1.490 1.00 0.00 C ATOM 746 C SER A 52 -7.888 6.361 -2.863 1.00 0.00 C ATOM 747 O SER A 52 -8.583 6.719 -3.814 1.00 0.00 O ATOM 748 CB SER A 52 -9.225 6.258 -0.768 1.00 0.00 C ATOM 749 OG SER A 52 -9.548 6.912 0.448 1.00 0.00 O ATOM 0 HA SER A 52 -7.176 6.856 -0.899 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.104 6.226 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.940 5.226 -0.565 1.00 0.00 H new ATOM 0 HG SER A 52 -9.629 7.876 0.290 1.00 0.00 H new ATOM 755 N THR A 53 -6.929 5.463 -2.980 1.00 0.00 N ATOM 756 CA THR A 53 -6.659 4.831 -4.261 1.00 0.00 C ATOM 757 C THR A 53 -6.178 3.392 -4.075 1.00 0.00 C ATOM 758 O THR A 53 -5.625 3.049 -3.028 1.00 0.00 O ATOM 759 CB THR A 53 -5.614 5.645 -5.056 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.001 7.025 -5.104 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.461 5.119 -6.474 1.00 0.00 C ATOM 0 H THR A 53 -6.329 5.156 -2.215 1.00 0.00 H new ATOM 0 HA THR A 53 -7.591 4.808 -4.826 1.00 0.00 H new ATOM 0 HB THR A 53 -4.657 5.544 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.333 7.535 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.718 5.715 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.137 4.079 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.418 5.186 -6.992 1.00 0.00 H new ATOM 769 N GLU A 54 -6.419 2.559 -5.084 1.00 0.00 N ATOM 770 CA GLU A 54 -5.950 1.191 -5.106 1.00 0.00 C ATOM 771 C GLU A 54 -5.088 0.964 -6.342 1.00 0.00 C ATOM 772 O GLU A 54 -5.587 1.010 -7.468 1.00 0.00 O ATOM 773 CB GLU A 54 -7.130 0.218 -5.115 1.00 0.00 C ATOM 774 CG GLU A 54 -6.711 -1.239 -5.006 1.00 0.00 C ATOM 775 CD GLU A 54 -7.858 -2.199 -5.232 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.740 -2.303 -4.354 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.881 -2.857 -6.291 1.00 0.00 O ATOM 0 H GLU A 54 -6.951 2.824 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.357 1.011 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.797 0.460 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.699 0.357 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.925 -1.441 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.284 -1.416 -4.019 1.00 0.00 H new ATOM 784 N LEU A 55 -3.796 0.741 -6.144 1.00 0.00 N ATOM 785 CA LEU A 55 -2.911 0.466 -7.266 1.00 0.00 C ATOM 786 C LEU A 55 -2.696 -1.027 -7.422 1.00 0.00 C ATOM 787 O LEU A 55 -2.961 -1.804 -6.504 1.00 0.00 O ATOM 788 CB LEU A 55 -1.569 1.222 -7.153 1.00 0.00 C ATOM 789 CG LEU A 55 -1.708 2.741 -7.251 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.370 3.401 -7.526 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.722 3.132 -8.318 1.00 0.00 C ATOM 0 H LEU A 55 -3.343 0.745 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.400 0.838 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.099 0.970 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.900 0.876 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.070 3.097 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.503 4.481 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.323 3.168 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.033 3.029 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.800 4.218 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.398 2.749 -9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.695 2.709 -8.068 1.00 0.00 H new ATOM 803 N ASN A 56 -2.270 -1.419 -8.609 1.00 0.00 N ATOM 804 CA ASN A 56 -1.996 -2.810 -8.915 1.00 0.00 C ATOM 805 C ASN A 56 -0.567 -2.937 -9.408 1.00 0.00 C ATOM 806 O ASN A 56 -0.217 -2.406 -10.463 1.00 0.00 O ATOM 807 CB ASN A 56 -2.968 -3.334 -9.980 1.00 0.00 C ATOM 808 CG ASN A 56 -2.701 -4.783 -10.360 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.900 -5.069 -11.251 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.387 -5.706 -9.705 1.00 0.00 N ATOM 0 H ASN A 56 -2.104 -0.781 -9.388 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.129 -3.406 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.989 -3.242 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.895 -2.710 -10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.261 -6.692 -9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.042 -5.431 -8.973 1.00 0.00 H new ATOM 817 N LEU A 57 0.257 -3.626 -8.644 1.00 0.00 N ATOM 818 CA LEU A 57 1.656 -3.753 -8.978 1.00 0.00 C ATOM 819 C LEU A 57 1.959 -5.195 -9.314 1.00 0.00 C ATOM 820 O LEU A 57 1.242 -6.098 -8.892 1.00 0.00 O ATOM 821 CB LEU A 57 2.556 -3.272 -7.825 1.00 0.00 C ATOM 822 CG LEU A 57 2.585 -1.767 -7.565 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.927 -1.373 -6.991 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.306 -0.972 -8.818 1.00 0.00 C ATOM 0 H LEU A 57 -0.021 -4.106 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 57 1.866 -3.122 -9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.234 -3.770 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.575 -3.603 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 57 1.796 -1.538 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.943 -0.299 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.092 -1.904 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.715 -1.632 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.336 0.093 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.060 -1.202 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.320 -1.232 -9.202 1.00 0.00 H new ATOM 836 N PRO A 58 2.996 -5.426 -10.115 1.00 0.00 N ATOM 837 CA PRO A 58 3.431 -6.772 -10.441 1.00 0.00 C ATOM 838 C PRO A 58 3.860 -7.529 -9.192 1.00 0.00 C ATOM 839 O PRO A 58 4.297 -6.939 -8.207 1.00 0.00 O ATOM 840 CB PRO A 58 4.619 -6.573 -11.389 1.00 0.00 C ATOM 841 CG PRO A 58 5.009 -5.137 -11.278 1.00 0.00 C ATOM 842 CD PRO A 58 3.804 -4.390 -10.775 1.00 0.00 C ATOM 0 HA PRO A 58 2.633 -7.362 -10.891 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.449 -7.224 -11.114 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.345 -6.823 -12.414 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.849 -5.018 -10.594 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.327 -4.748 -12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.086 -3.599 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.258 -3.917 -11.591 1.00 0.00 H new ATOM 850 N GLU A 59 3.688 -8.839 -9.245 1.00 0.00 N ATOM 851 CA GLU A 59 4.110 -9.759 -8.181 1.00 0.00 C ATOM 852 C GLU A 59 5.528 -9.472 -7.688 1.00 0.00 C ATOM 853 O GLU A 59 5.854 -9.720 -6.530 1.00 0.00 O ATOM 854 CB GLU A 59 4.056 -11.194 -8.702 1.00 0.00 C ATOM 855 CG GLU A 59 4.918 -11.420 -9.935 1.00 0.00 C ATOM 856 CD GLU A 59 4.894 -12.851 -10.416 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.693 -13.667 -9.910 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.089 -13.168 -11.317 1.00 0.00 O ATOM 0 H GLU A 59 3.246 -9.308 -10.036 1.00 0.00 H new ATOM 0 HA GLU A 59 3.428 -9.618 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.379 -11.872 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.023 -11.449 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.574 -10.767 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.946 -11.135 -9.710 1.00 0.00 H new ATOM 865 N THR A 60 6.356 -8.959 -8.578 1.00 0.00 N ATOM 866 CA THR A 60 7.755 -8.717 -8.281 1.00 0.00 C ATOM 867 C THR A 60 7.999 -7.243 -7.946 1.00 0.00 C ATOM 868 O THR A 60 9.136 -6.769 -7.958 1.00 0.00 O ATOM 869 CB THR A 60 8.646 -9.154 -9.471 1.00 0.00 C ATOM 870 OG1 THR A 60 10.027 -8.893 -9.198 1.00 0.00 O ATOM 871 CG2 THR A 60 8.231 -8.444 -10.752 1.00 0.00 C ATOM 0 H THR A 60 6.079 -8.699 -9.525 1.00 0.00 H new ATOM 0 HA THR A 60 8.022 -9.312 -7.408 1.00 0.00 H new ATOM 0 HB THR A 60 8.511 -10.227 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.107 -8.064 -8.681 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.872 -8.768 -11.572 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.194 -8.688 -10.984 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.329 -7.367 -10.619 1.00 0.00 H new ATOM 879 N ALA A 61 6.933 -6.522 -7.627 1.00 0.00 N ATOM 880 CA ALA A 61 7.058 -5.118 -7.275 1.00 0.00 C ATOM 881 C ALA A 61 7.306 -4.992 -5.790 1.00 0.00 C ATOM 882 O ALA A 61 6.878 -5.844 -5.011 1.00 0.00 O ATOM 883 CB ALA A 61 5.812 -4.343 -7.663 1.00 0.00 C ATOM 0 H ALA A 61 5.980 -6.884 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 61 7.900 -4.696 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.934 -3.296 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.656 -4.419 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.949 -4.757 -7.141 1.00 0.00 H new ATOM 889 N ASN A 62 7.992 -3.940 -5.393 1.00 0.00 N ATOM 890 CA ASN A 62 8.317 -3.761 -3.994 1.00 0.00 C ATOM 891 C ASN A 62 8.102 -2.330 -3.543 1.00 0.00 C ATOM 892 O ASN A 62 8.556 -1.957 -2.472 1.00 0.00 O ATOM 893 CB ASN A 62 9.766 -4.168 -3.716 1.00 0.00 C ATOM 894 CG ASN A 62 10.787 -3.181 -4.261 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.575 -2.546 -5.297 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.905 -3.050 -3.565 1.00 0.00 N ATOM 0 H ASN A 62 8.332 -3.204 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 62 7.643 -4.405 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.907 -4.268 -2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.950 -5.149 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.630 -2.405 -3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.042 -3.594 -2.713 1.00 0.00 H new ATOM 903 N SER A 63 7.409 -1.528 -4.335 1.00 0.00 N ATOM 904 CA SER A 63 7.211 -0.133 -3.976 1.00 0.00 C ATOM 905 C SER A 63 6.147 0.528 -4.848 1.00 0.00 C ATOM 906 O SER A 63 6.149 0.373 -6.066 1.00 0.00 O ATOM 907 CB SER A 63 8.532 0.632 -4.109 1.00 0.00 C ATOM 908 OG SER A 63 9.052 0.537 -5.425 1.00 0.00 O ATOM 0 H SER A 63 6.981 -1.812 -5.216 1.00 0.00 H new ATOM 0 HA SER A 63 6.867 -0.102 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.375 1.680 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.258 0.235 -3.399 1.00 0.00 H new ATOM 0 HG SER A 63 8.322 0.356 -6.053 1.00 0.00 H new ATOM 914 N VAL A 64 5.247 1.269 -4.220 1.00 0.00 N ATOM 915 CA VAL A 64 4.236 2.026 -4.949 1.00 0.00 C ATOM 916 C VAL A 64 4.446 3.520 -4.742 1.00 0.00 C ATOM 917 O VAL A 64 4.781 3.965 -3.631 1.00 0.00 O ATOM 918 CB VAL A 64 2.787 1.669 -4.535 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.599 1.784 -3.046 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.802 2.543 -5.252 1.00 0.00 C ATOM 0 H VAL A 64 5.195 1.364 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 64 4.357 1.757 -5.998 1.00 0.00 H new ATOM 0 HB VAL A 64 2.608 0.632 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.572 1.527 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.282 1.102 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.807 2.806 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.790 2.276 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.993 3.587 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.906 2.402 -6.328 1.00 0.00 H new ATOM 930 N THR A 65 4.287 4.278 -5.821 1.00 0.00 N ATOM 931 CA THR A 65 4.232 5.708 -5.749 1.00 0.00 C ATOM 932 C THR A 65 2.771 6.166 -5.750 1.00 0.00 C ATOM 933 O THR A 65 2.107 6.187 -6.787 1.00 0.00 O ATOM 934 CB THR A 65 4.974 6.293 -6.953 1.00 0.00 C ATOM 935 OG1 THR A 65 6.364 5.943 -6.882 1.00 0.00 O ATOM 936 CG2 THR A 65 4.820 7.808 -7.037 1.00 0.00 C ATOM 0 H THR A 65 4.194 3.904 -6.765 1.00 0.00 H new ATOM 0 HA THR A 65 4.705 6.055 -4.830 1.00 0.00 H new ATOM 0 HB THR A 65 4.532 5.869 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.836 6.318 -7.655 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.362 8.181 -7.906 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.764 8.062 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.223 8.265 -6.134 1.00 0.00 H new ATOM 944 N LEU A 66 2.274 6.491 -4.573 1.00 0.00 N ATOM 945 CA LEU A 66 0.923 6.997 -4.406 1.00 0.00 C ATOM 946 C LEU A 66 0.877 8.444 -4.840 1.00 0.00 C ATOM 947 O LEU A 66 1.826 9.195 -4.587 1.00 0.00 O ATOM 948 CB LEU A 66 0.489 6.913 -2.952 1.00 0.00 C ATOM 949 CG LEU A 66 1.189 5.858 -2.112 1.00 0.00 C ATOM 950 CD1 LEU A 66 0.914 6.097 -0.655 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.731 4.475 -2.521 1.00 0.00 C ATOM 0 H LEU A 66 2.797 6.412 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 66 0.251 6.391 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.651 7.886 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.583 6.720 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 66 2.264 5.927 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.419 5.336 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.282 7.083 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.160 6.045 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.240 3.728 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.346 4.390 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.968 4.309 -3.572 1.00 0.00 H new ATOM 963 N SER A 67 -0.231 8.845 -5.436 1.00 0.00 N ATOM 964 CA SER A 67 -0.332 10.154 -6.045 1.00 0.00 C ATOM 965 C SER A 67 -1.713 10.756 -5.817 1.00 0.00 C ATOM 966 O SER A 67 -2.645 10.051 -5.417 1.00 0.00 O ATOM 967 CB SER A 67 -0.019 10.045 -7.540 1.00 0.00 C ATOM 968 OG SER A 67 -0.583 8.866 -8.093 1.00 0.00 O ATOM 0 H SER A 67 -1.076 8.278 -5.510 1.00 0.00 H new ATOM 0 HA SER A 67 0.394 10.821 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.410 10.919 -8.062 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.061 10.041 -7.690 1.00 0.00 H new ATOM 0 HG SER A 67 -0.371 8.819 -9.049 1.00 0.00 H new ATOM 974 N ASP A 68 -1.817 12.062 -6.051 1.00 0.00 N ATOM 975 CA ASP A 68 -3.060 12.814 -5.863 1.00 0.00 C ATOM 976 C ASP A 68 -3.454 12.852 -4.387 1.00 0.00 C ATOM 977 O ASP A 68 -4.623 12.989 -4.043 1.00 0.00 O ATOM 978 CB ASP A 68 -4.197 12.229 -6.716 1.00 0.00 C ATOM 979 CG ASP A 68 -5.401 13.153 -6.809 1.00 0.00 C ATOM 980 OD1 ASP A 68 -5.249 14.278 -7.332 1.00 0.00 O ATOM 981 OD2 ASP A 68 -6.511 12.748 -6.394 1.00 0.00 O ATOM 0 H ASP A 68 -1.038 12.634 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.885 13.837 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.824 12.025 -7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.509 11.275 -6.291 1.00 0.00 H new ATOM 986 N LEU A 69 -2.459 12.739 -3.510 1.00 0.00 N ATOM 987 CA LEU A 69 -2.696 12.840 -2.072 1.00 0.00 C ATOM 988 C LEU A 69 -3.039 14.279 -1.701 1.00 0.00 C ATOM 989 O LEU A 69 -3.203 15.128 -2.565 1.00 0.00 O ATOM 990 CB LEU A 69 -1.483 12.402 -1.246 1.00 0.00 C ATOM 991 CG LEU A 69 -0.755 11.155 -1.705 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.444 10.922 -0.824 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.690 9.968 -1.632 1.00 0.00 C ATOM 0 H LEU A 69 -1.485 12.578 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.525 12.171 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.769 13.225 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.811 12.244 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.422 11.283 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.969 10.025 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.115 11.779 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.118 10.793 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.166 9.071 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.027 9.833 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.551 10.143 -2.277 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.179 14.539 -0.415 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.435 15.888 0.059 1.00 0.00 C ATOM 1007 C GLN A 70 -2.448 16.232 1.161 1.00 0.00 C ATOM 1008 O GLN A 70 -2.232 15.426 2.063 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.854 16.005 0.597 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.919 15.500 -0.355 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.218 16.478 -1.476 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.361 17.264 -1.885 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.433 16.431 -1.990 1.00 0.00 N ATOM 0 H GLN A 70 -3.120 13.835 0.321 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.317 16.580 -0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.924 15.449 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.057 17.050 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.596 14.551 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.834 15.303 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.116 15.767 -1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.689 17.059 -2.752 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.831 17.421 1.098 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.849 17.864 2.095 1.00 0.00 C ATOM 1024 C PRO A 71 -1.458 18.043 3.486 1.00 0.00 C ATOM 1025 O PRO A 71 -2.471 18.727 3.652 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.357 19.204 1.556 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.420 19.666 0.621 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.040 18.428 0.044 1.00 0.00 C ATOM 0 HA PRO A 71 -0.057 17.127 2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.205 19.921 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.598 19.095 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.164 20.266 1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.000 20.294 -0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.099 18.571 -0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.561 18.137 -0.891 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.836 17.422 4.480 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.309 17.545 5.844 1.00 0.00 C ATOM 1038 C GLY A 72 -2.304 16.464 6.207 1.00 0.00 C ATOM 1039 O GLY A 72 -2.998 16.559 7.222 1.00 0.00 O ATOM 0 H GLY A 72 -0.010 16.834 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.460 17.498 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.773 18.522 5.979 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.366 15.424 5.390 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.344 14.367 5.581 1.00 0.00 C ATOM 1045 C VAL A 73 -2.676 13.039 5.924 1.00 0.00 C ATOM 1046 O VAL A 73 -1.616 12.701 5.393 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.245 14.207 4.332 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.155 13.013 4.443 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.102 15.425 4.112 1.00 0.00 C ATOM 0 H VAL A 73 -1.750 15.290 4.588 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.970 14.658 6.425 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.566 14.070 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.769 12.939 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.557 12.108 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.799 13.126 5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.722 15.279 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.741 15.582 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.464 16.297 3.968 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.307 12.307 6.834 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.833 11.014 7.273 1.00 0.00 C ATOM 1061 C GLN A 74 -3.232 9.953 6.260 1.00 0.00 C ATOM 1062 O GLN A 74 -4.415 9.778 5.979 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.469 10.717 8.624 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.652 9.813 9.535 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.334 8.475 8.912 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -3.124 7.542 8.991 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -1.157 8.362 8.324 1.00 0.00 N ATOM 0 H GLN A 74 -4.171 12.604 7.289 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.747 11.012 7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.648 11.661 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.442 10.255 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.721 10.316 9.796 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.199 9.654 10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.529 9.165 8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.875 7.472 7.913 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.252 9.244 5.726 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.513 8.254 4.695 1.00 0.00 C ATOM 1078 C TYR A 75 -2.122 6.851 5.128 1.00 0.00 C ATOM 1079 O TYR A 75 -0.952 6.550 5.336 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.801 8.638 3.401 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.617 9.606 2.580 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.707 9.156 1.850 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -2.326 10.961 2.556 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.480 10.027 1.116 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.101 11.842 1.826 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.178 11.366 1.105 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.966 12.235 0.380 1.00 0.00 O ATOM 0 H TYR A 75 -1.271 9.335 5.988 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.589 8.243 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.835 9.085 3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.603 7.741 2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.953 8.105 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.481 11.334 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.322 9.658 0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.866 12.896 1.820 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.962 13.116 0.809 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.124 6.005 5.267 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.926 4.601 5.587 1.00 0.00 C ATOM 1099 C ASN A 76 -2.722 3.807 4.305 1.00 0.00 C ATOM 1100 O ASN A 76 -3.665 3.628 3.527 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.142 4.036 6.333 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.514 4.840 7.564 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -4.040 4.565 8.666 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -5.379 5.827 7.387 1.00 0.00 N ATOM 0 H ASN A 76 -4.103 6.271 5.161 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.046 4.517 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.995 4.007 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.934 3.008 6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.677 6.393 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.748 6.021 6.456 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.497 3.359 4.075 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.192 2.527 2.920 1.00 0.00 C ATOM 1113 C ILE A 77 -1.306 1.066 3.294 1.00 0.00 C ATOM 1114 O ILE A 77 -0.557 0.559 4.132 1.00 0.00 O ATOM 1115 CB ILE A 77 0.220 2.781 2.342 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.402 4.224 1.894 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.513 1.866 1.163 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.879 5.164 2.979 1.00 0.00 C ATOM 0 H ILE A 77 -0.696 3.558 4.674 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.917 2.793 2.150 1.00 0.00 H new ATOM 0 HB ILE A 77 0.919 2.569 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.116 4.248 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.547 4.592 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.513 2.072 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.455 0.827 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.219 2.043 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.981 6.169 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.156 5.175 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.845 4.826 3.355 1.00 0.00 H new ATOM 1130 N THR A 78 -2.255 0.407 2.680 1.00 0.00 N ATOM 1131 CA THR A 78 -2.489 -0.985 2.911 1.00 0.00 C ATOM 1132 C THR A 78 -2.032 -1.801 1.700 1.00 0.00 C ATOM 1133 O THR A 78 -2.579 -1.653 0.602 1.00 0.00 O ATOM 1134 CB THR A 78 -3.980 -1.217 3.181 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.414 -0.384 4.270 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.257 -2.674 3.513 1.00 0.00 C ATOM 0 H THR A 78 -2.889 0.830 2.002 1.00 0.00 H new ATOM 0 HA THR A 78 -1.917 -1.308 3.781 1.00 0.00 H new ATOM 0 HB THR A 78 -4.532 -0.959 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.368 -0.535 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.322 -2.808 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.953 -3.302 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.694 -2.958 4.402 1.00 0.00 H new ATOM 1144 N ILE A 79 -1.024 -2.650 1.897 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.500 -3.462 0.788 1.00 0.00 C ATOM 1146 C ILE A 79 -1.152 -4.844 0.808 1.00 0.00 C ATOM 1147 O ILE A 79 -1.414 -5.398 1.870 1.00 0.00 O ATOM 1148 CB ILE A 79 1.049 -3.667 0.806 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.853 -2.385 0.965 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.517 -4.322 -0.465 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.450 -1.262 0.052 1.00 0.00 C ATOM 0 H ILE A 79 -0.559 -2.796 2.793 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.742 -2.901 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 79 1.226 -4.293 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.763 -2.044 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.906 -2.611 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.598 -4.454 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.036 -5.294 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.256 -3.693 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.081 -0.394 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.568 -1.576 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.408 -1.000 0.235 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.423 -5.388 -0.360 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.004 -6.712 -0.476 1.00 0.00 C ATOM 1165 C TYR A 80 -1.177 -7.563 -1.433 1.00 0.00 C ATOM 1166 O TYR A 80 -1.164 -7.304 -2.638 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.431 -6.624 -1.028 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.356 -5.671 -0.298 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.453 -4.326 -0.665 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.161 -6.123 0.740 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.325 -3.477 -0.017 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.029 -5.273 1.394 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.108 -3.952 1.010 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.981 -3.103 1.648 1.00 0.00 O ATOM 0 H TYR A 80 -1.248 -4.928 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.017 -7.162 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.379 -6.322 -2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.873 -7.620 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.837 -3.947 -1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.106 -7.159 1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.393 -2.441 -0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.643 -5.641 2.203 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.461 -3.593 2.348 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.507 -8.583 -0.904 1.00 0.00 N ATOM 1185 CA ALA A 81 0.193 -9.549 -1.745 1.00 0.00 C ATOM 1186 C ALA A 81 -0.826 -10.539 -2.286 1.00 0.00 C ATOM 1187 O ALA A 81 -1.353 -11.363 -1.545 1.00 0.00 O ATOM 1188 CB ALA A 81 1.285 -10.281 -0.958 1.00 0.00 C ATOM 0 H ALA A 81 -0.434 -8.762 0.098 1.00 0.00 H new ATOM 0 HA ALA A 81 0.682 -9.026 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.789 -10.994 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.009 -9.558 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.835 -10.813 -0.120 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.126 -10.445 -3.566 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.165 -11.294 -4.139 1.00 0.00 C ATOM 1196 C VAL A 82 -1.551 -12.484 -4.854 1.00 0.00 C ATOM 1197 O VAL A 82 -0.566 -12.332 -5.558 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.103 -10.525 -5.113 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.354 -9.942 -6.289 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.213 -11.429 -5.613 1.00 0.00 C ATOM 0 H VAL A 82 -0.679 -9.805 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.774 -11.641 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.533 -9.698 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.052 -9.415 -6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.597 -9.245 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.872 -10.745 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.858 -10.872 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.780 -12.280 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.800 -11.786 -4.767 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.123 -13.664 -4.629 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.710 -14.876 -5.312 1.00 0.00 C ATOM 1212 C GLU A 83 -2.813 -15.315 -6.260 1.00 0.00 C ATOM 1213 O GLU A 83 -3.915 -14.759 -6.233 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.431 -16.028 -4.355 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.935 -15.638 -2.991 1.00 0.00 C ATOM 1216 CD GLU A 83 -0.703 -16.858 -2.128 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -1.695 -17.487 -1.706 1.00 0.00 O ATOM 1218 OE2 GLU A 83 0.468 -17.219 -1.895 1.00 0.00 O ATOM 0 H GLU A 83 -2.886 -13.802 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.787 -14.642 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.347 -16.607 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.694 -16.687 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.007 -15.074 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.660 -14.981 -2.511 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.506 -16.304 -7.088 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.442 -16.823 -8.082 1.00 0.00 C ATOM 1227 C GLU A 84 -4.847 -17.027 -7.509 1.00 0.00 C ATOM 1228 O GLU A 84 -5.838 -16.603 -8.107 1.00 0.00 O ATOM 1229 CB GLU A 84 -2.932 -18.161 -8.624 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.516 -18.110 -9.169 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.044 -19.456 -9.676 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.635 -19.972 -10.648 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -0.088 -20.014 -9.094 1.00 0.00 O ATOM 0 H GLU A 84 -1.600 -16.772 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.506 -16.082 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.977 -18.904 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.602 -18.500 -9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.467 -17.382 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.841 -17.762 -8.387 1.00 0.00 H new ATOM 1240 N ASN A 85 -4.930 -17.653 -6.340 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.219 -18.091 -5.813 1.00 0.00 C ATOM 1242 C ASN A 85 -6.734 -17.236 -4.651 1.00 0.00 C ATOM 1243 O ASN A 85 -7.935 -17.236 -4.381 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.149 -19.562 -5.383 1.00 0.00 C ATOM 1245 CG ASN A 85 -5.049 -19.836 -4.372 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -5.247 -19.712 -3.164 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -3.885 -20.235 -4.858 1.00 0.00 N ATOM 0 H ASN A 85 -4.130 -17.867 -5.744 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.932 -17.970 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.108 -19.855 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.988 -20.184 -6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.115 -20.451 -4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.757 -20.326 -5.866 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.864 -16.507 -3.961 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.297 -15.784 -2.774 1.00 0.00 C ATOM 1256 C GLN A 86 -5.491 -14.515 -2.561 1.00 0.00 C ATOM 1257 O GLN A 86 -4.577 -14.225 -3.314 1.00 0.00 O ATOM 1258 CB GLN A 86 -6.169 -16.691 -1.563 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.746 -16.888 -1.079 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.660 -17.932 0.007 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -4.798 -17.629 1.193 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -4.435 -19.171 -0.389 1.00 0.00 N ATOM 0 H GLN A 86 -4.877 -16.402 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.337 -15.490 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.763 -16.276 -0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.596 -17.664 -1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.115 -17.184 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.356 -15.942 -0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.327 -19.377 -1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.369 -19.922 0.298 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.855 -13.758 -1.540 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.134 -12.544 -1.191 1.00 0.00 C ATOM 1273 C GLU A 87 -4.543 -12.689 0.206 1.00 0.00 C ATOM 1274 O GLU A 87 -5.220 -13.158 1.125 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.065 -11.330 -1.259 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.693 -11.134 -2.632 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.588 -9.914 -2.716 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.491 -9.772 -1.869 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -7.413 -9.108 -3.659 1.00 0.00 O ATOM 0 H GLU A 87 -6.650 -13.964 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.325 -12.389 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.856 -11.444 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.504 -10.434 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.901 -11.047 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.274 -12.020 -2.887 1.00 0.00 H new ATOM 1286 N SER A 88 -3.282 -12.308 0.356 1.00 0.00 N ATOM 1287 CA SER A 88 -2.576 -12.461 1.623 1.00 0.00 C ATOM 1288 C SER A 88 -3.053 -11.439 2.647 1.00 0.00 C ATOM 1289 O SER A 88 -3.926 -10.617 2.360 1.00 0.00 O ATOM 1290 CB SER A 88 -1.070 -12.304 1.408 1.00 0.00 C ATOM 1291 OG SER A 88 -0.627 -13.100 0.324 1.00 0.00 O ATOM 0 H SER A 88 -2.724 -11.889 -0.387 1.00 0.00 H new ATOM 0 HA SER A 88 -2.789 -13.459 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.834 -11.257 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.538 -12.590 2.315 1.00 0.00 H new ATOM 0 HG SER A 88 -0.534 -12.541 -0.476 1.00 0.00 H new ATOM 1297 N THR A 89 -2.470 -11.495 3.836 1.00 0.00 N ATOM 1298 CA THR A 89 -2.763 -10.535 4.883 1.00 0.00 C ATOM 1299 C THR A 89 -2.379 -9.117 4.438 1.00 0.00 C ATOM 1300 O THR A 89 -1.618 -8.942 3.484 1.00 0.00 O ATOM 1301 CB THR A 89 -2.019 -10.924 6.176 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.791 -11.594 5.850 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.880 -11.831 7.044 1.00 0.00 C ATOM 0 H THR A 89 -1.785 -12.204 4.098 1.00 0.00 H new ATOM 0 HA THR A 89 -3.835 -10.546 5.081 1.00 0.00 H new ATOM 0 HB THR A 89 -1.802 -10.013 6.733 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.322 -11.837 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.334 -12.092 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.800 -11.312 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.123 -12.739 6.492 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.947 -8.087 5.075 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.692 -6.705 4.704 1.00 0.00 C ATOM 1313 C PRO A 90 -1.489 -6.072 5.412 1.00 0.00 C ATOM 1314 O PRO A 90 -1.239 -6.309 6.595 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.984 -6.012 5.127 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.473 -6.788 6.307 1.00 0.00 C ATOM 1317 CD PRO A 90 -3.901 -8.177 6.195 1.00 0.00 C ATOM 0 HA PRO A 90 -2.440 -6.616 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.805 -4.969 5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.717 -6.018 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.156 -6.315 7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.562 -6.821 6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.405 -8.479 7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.680 -8.913 5.996 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.752 -5.277 4.654 1.00 0.00 N ATOM 1326 CA VAL A 91 0.214 -4.332 5.189 1.00 0.00 C ATOM 1327 C VAL A 91 -0.525 -3.080 5.585 1.00 0.00 C ATOM 1328 O VAL A 91 -1.257 -2.544 4.762 1.00 0.00 O ATOM 1329 CB VAL A 91 1.215 -3.884 4.118 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.847 -2.563 4.521 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.281 -4.928 3.864 1.00 0.00 C ATOM 0 H VAL A 91 -0.809 -5.270 3.636 1.00 0.00 H new ATOM 0 HA VAL A 91 0.731 -4.819 6.016 1.00 0.00 H new ATOM 0 HB VAL A 91 0.667 -3.752 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.557 -2.251 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.071 -1.805 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.368 -2.684 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.968 -4.568 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.832 -5.117 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.812 -5.852 3.525 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.336 -2.602 6.797 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.880 -1.312 7.158 1.00 0.00 C ATOM 1343 C VAL A 92 0.232 -0.392 7.643 1.00 0.00 C ATOM 1344 O VAL A 92 0.770 -0.570 8.735 1.00 0.00 O ATOM 1345 CB VAL A 92 -1.972 -1.411 8.239 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.758 -0.114 8.295 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -2.898 -2.592 7.980 1.00 0.00 C ATOM 0 H VAL A 92 0.181 -3.078 7.537 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.343 -0.902 6.260 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.491 -1.577 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.530 -0.189 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.085 0.709 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.225 0.071 7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.658 -2.636 8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.380 -2.471 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.320 -3.516 7.985 1.00 0.00 H new ATOM 1357 N ILE A 93 0.584 0.576 6.810 1.00 0.00 N ATOM 1358 CA ILE A 93 1.588 1.570 7.159 1.00 0.00 C ATOM 1359 C ILE A 93 1.025 2.968 6.955 1.00 0.00 C ATOM 1360 O ILE A 93 0.765 3.387 5.830 1.00 0.00 O ATOM 1361 CB ILE A 93 2.882 1.405 6.325 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.558 1.192 4.851 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.711 0.250 6.861 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.716 1.515 3.946 1.00 0.00 C ATOM 0 H ILE A 93 0.185 0.694 5.879 1.00 0.00 H new ATOM 0 HA ILE A 93 1.846 1.421 8.208 1.00 0.00 H new ATOM 0 HB ILE A 93 3.464 2.323 6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.260 0.155 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.705 1.813 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.618 0.146 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.980 0.446 7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.131 -0.671 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.426 1.344 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.999 2.559 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.563 0.875 4.196 1.00 0.00 H new ATOM 1376 N GLN A 94 0.817 3.685 8.044 1.00 0.00 N ATOM 1377 CA GLN A 94 0.195 4.993 7.963 1.00 0.00 C ATOM 1378 C GLN A 94 1.226 6.113 8.093 1.00 0.00 C ATOM 1379 O GLN A 94 1.950 6.214 9.085 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.921 5.119 9.005 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.489 4.841 10.435 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.667 4.802 11.388 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.262 3.749 11.615 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -2.015 5.946 11.950 1.00 0.00 N ATOM 0 H GLN A 94 1.067 3.387 8.987 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.256 5.097 6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.335 6.126 8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.724 4.431 8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.041 3.889 10.475 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.213 5.610 10.758 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.496 6.798 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.802 5.977 12.598 1.00 0.00 H new ATOM 1393 N GLN A 95 1.291 6.935 7.059 1.00 0.00 N ATOM 1394 CA GLN A 95 2.221 8.047 6.990 1.00 0.00 C ATOM 1395 C GLN A 95 1.477 9.336 6.653 1.00 0.00 C ATOM 1396 O GLN A 95 0.609 9.341 5.782 1.00 0.00 O ATOM 1397 CB GLN A 95 3.275 7.764 5.916 1.00 0.00 C ATOM 1398 CG GLN A 95 4.693 7.647 6.450 1.00 0.00 C ATOM 1399 CD GLN A 95 5.157 8.883 7.199 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.627 10.044 6.840 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 5.987 8.793 8.102 1.00 0.00 N flip ATOM 0 H GLN A 95 0.694 6.847 6.237 1.00 0.00 H new ATOM 0 HA GLN A 95 2.708 8.165 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.015 6.838 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.243 8.561 5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.754 6.784 7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.372 7.458 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.373 7.882 8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.289 9.629 8.602 1.00 0.00 H new ATOM 1410 N GLU A 96 1.801 10.416 7.346 1.00 0.00 N ATOM 1411 CA GLU A 96 1.200 11.709 7.051 1.00 0.00 C ATOM 1412 C GLU A 96 2.000 12.414 5.967 1.00 0.00 C ATOM 1413 O GLU A 96 3.217 12.257 5.877 1.00 0.00 O ATOM 1414 CB GLU A 96 1.129 12.611 8.292 1.00 0.00 C ATOM 1415 CG GLU A 96 0.185 12.128 9.386 1.00 0.00 C ATOM 1416 CD GLU A 96 0.759 11.004 10.227 1.00 0.00 C ATOM 1417 OE1 GLU A 96 0.672 9.833 9.810 1.00 0.00 O ATOM 1418 OE2 GLU A 96 1.292 11.286 11.320 1.00 0.00 O ATOM 0 H GLU A 96 2.473 10.425 8.113 1.00 0.00 H new ATOM 0 HA GLU A 96 0.181 11.523 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.130 12.705 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.820 13.609 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.065 12.967 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.746 11.791 8.929 1.00 0.00 H new ATOM 1425 N THR A 97 1.309 13.170 5.138 1.00 0.00 N ATOM 1426 CA THR A 97 1.948 13.916 4.075 1.00 0.00 C ATOM 1427 C THR A 97 2.540 15.218 4.598 1.00 0.00 C ATOM 1428 O THR A 97 1.828 16.068 5.142 1.00 0.00 O ATOM 1429 CB THR A 97 0.941 14.221 2.959 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.257 14.757 3.527 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.617 12.968 2.167 1.00 0.00 C ATOM 0 H THR A 97 0.296 13.284 5.182 1.00 0.00 H new ATOM 0 HA THR A 97 2.756 13.303 3.676 1.00 0.00 H new ATOM 0 HB THR A 97 1.384 14.951 2.282 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.811 15.144 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.099 13.209 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.529 12.575 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.188 12.218 2.832 1.00 0.00 H new ATOM 1439 N THR A 98 3.850 15.363 4.443 1.00 0.00 N ATOM 1440 CA THR A 98 4.547 16.564 4.868 1.00 0.00 C ATOM 1441 C THR A 98 4.182 17.742 3.970 1.00 0.00 C ATOM 1442 O THR A 98 4.117 18.891 4.410 1.00 0.00 O ATOM 1443 CB THR A 98 6.069 16.335 4.830 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.406 15.231 5.681 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.836 17.576 5.269 1.00 0.00 C ATOM 0 H THR A 98 4.453 14.656 4.022 1.00 0.00 H new ATOM 0 HA THR A 98 4.243 16.794 5.889 1.00 0.00 H new ATOM 0 HB THR A 98 6.353 16.115 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.374 15.083 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.907 17.375 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.597 18.406 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.554 17.836 6.289 1.00 0.00 H new