USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 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 74 GLN : amide:sc= -3.24 K(o=-4.1,f=-3.2!) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.817 K(o=-4.1,f=-3.2) USER MOD Set 1.3: A 94 GLN : amide:sc= 0 X(o=-4.1,f=-4) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 1.17 K(o=1.2,f=-0.0099) USER MOD Single : A 24 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 25 SER OG : rot -7:sc= 1.01 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.046) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00343 USER MOD Single : A 40 TYR OH : rot 60:sc= -3.98! USER MOD Single : A 44 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 30:sc= 0.134 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 56 ASN : amide:sc= -0.0713 X(o=-0.071,f=-0.033) USER MOD Single : A 60 THR OG1 : rot -36:sc= 0.766 USER MOD Single : A 62 ASN : amide:sc= -0.14 K(o=-0.14,f=-3.1!) USER MOD Single : A 63 SER OG : rot 35:sc= 0.00413 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= -2.83! C(o=-2.8!,f=-6.4!) 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 85 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.59) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 73:sc= 1.11 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 95 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.4) USER MOD Single : A 97 THR OG1 : rot -158:sc= 1.61 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.084 -11.809 4.118 1.00 0.00 N ATOM 142 CA ALA A 12 2.171 -10.443 3.628 1.00 0.00 C ATOM 143 C ALA A 12 3.575 -9.906 3.866 1.00 0.00 C ATOM 144 O ALA A 12 4.280 -10.395 4.751 1.00 0.00 O ATOM 145 CB ALA A 12 1.156 -9.575 4.348 1.00 0.00 C ATOM 0 HA ALA A 12 1.957 -10.427 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.224 -8.552 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.153 -9.961 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.360 -9.588 5.419 1.00 0.00 H new ATOM 151 N PRO A 13 4.009 -8.900 3.090 1.00 0.00 N ATOM 152 CA PRO A 13 5.332 -8.301 3.259 1.00 0.00 C ATOM 153 C PRO A 13 5.475 -7.607 4.608 1.00 0.00 C ATOM 154 O PRO A 13 4.620 -6.802 4.988 1.00 0.00 O ATOM 155 CB PRO A 13 5.409 -7.269 2.125 1.00 0.00 C ATOM 156 CG PRO A 13 4.369 -7.693 1.154 1.00 0.00 C ATOM 157 CD PRO A 13 3.268 -8.262 1.990 1.00 0.00 C ATOM 0 HA PRO A 13 6.124 -9.049 3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.218 -6.261 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.398 -7.259 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.017 -6.850 0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.759 -8.435 0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.590 -7.489 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.665 -8.981 1.435 1.00 0.00 H new ATOM 165 N PRO A 14 6.543 -7.928 5.361 1.00 0.00 N ATOM 166 CA PRO A 14 6.852 -7.249 6.620 1.00 0.00 C ATOM 167 C PRO A 14 6.868 -5.739 6.438 1.00 0.00 C ATOM 168 O PRO A 14 7.261 -5.249 5.374 1.00 0.00 O ATOM 169 CB PRO A 14 8.242 -7.772 6.979 1.00 0.00 C ATOM 170 CG PRO A 14 8.324 -9.104 6.317 1.00 0.00 C ATOM 171 CD PRO A 14 7.522 -8.987 5.049 1.00 0.00 C ATOM 0 HA PRO A 14 6.113 -7.443 7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.023 -7.102 6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.367 -7.857 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.359 -9.369 6.101 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.922 -9.886 6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.150 -8.717 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.031 -9.927 4.796 1.00 0.00 H new ATOM 179 N ASP A 15 6.461 -5.029 7.498 1.00 0.00 N ATOM 180 CA ASP A 15 6.165 -3.590 7.456 1.00 0.00 C ATOM 181 C ASP A 15 7.063 -2.827 6.499 1.00 0.00 C ATOM 182 O ASP A 15 8.254 -2.632 6.759 1.00 0.00 O ATOM 183 CB ASP A 15 6.276 -2.976 8.852 1.00 0.00 C ATOM 184 CG ASP A 15 5.193 -3.465 9.785 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.384 -4.523 10.419 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.138 -2.800 9.884 1.00 0.00 O ATOM 0 H ASP A 15 6.326 -5.442 8.421 1.00 0.00 H new ATOM 0 HA ASP A 15 5.143 -3.502 7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.252 -3.216 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.221 -1.890 8.774 1.00 0.00 H new ATOM 191 N PRO A 16 6.489 -2.400 5.366 1.00 0.00 N ATOM 192 CA PRO A 16 7.188 -1.599 4.358 1.00 0.00 C ATOM 193 C PRO A 16 7.499 -0.200 4.864 1.00 0.00 C ATOM 194 O PRO A 16 6.812 0.331 5.733 1.00 0.00 O ATOM 195 CB PRO A 16 6.194 -1.545 3.180 1.00 0.00 C ATOM 196 CG PRO A 16 5.218 -2.630 3.468 1.00 0.00 C ATOM 197 CD PRO A 16 5.108 -2.676 4.960 1.00 0.00 C ATOM 0 HA PRO A 16 8.152 -2.029 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.702 -0.574 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.698 -1.707 2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.252 -2.422 3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.562 -3.584 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.412 -1.930 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.763 -3.647 5.316 1.00 0.00 H new ATOM 205 N THR A 17 8.540 0.386 4.315 1.00 0.00 N ATOM 206 CA THR A 17 8.984 1.703 4.739 1.00 0.00 C ATOM 207 C THR A 17 8.774 2.724 3.643 1.00 0.00 C ATOM 208 O THR A 17 9.065 2.481 2.471 1.00 0.00 O ATOM 209 CB THR A 17 10.468 1.670 5.157 1.00 0.00 C ATOM 210 OG1 THR A 17 10.677 0.615 6.108 1.00 0.00 O ATOM 211 CG2 THR A 17 10.900 2.997 5.767 1.00 0.00 C ATOM 0 H THR A 17 9.100 -0.028 3.570 1.00 0.00 H new ATOM 0 HA THR A 17 8.385 1.995 5.601 1.00 0.00 H new ATOM 0 HB THR A 17 11.069 1.492 4.265 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.621 0.594 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.951 2.942 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.763 3.795 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.296 3.205 6.650 1.00 0.00 H new ATOM 219 N VAL A 18 8.216 3.846 4.044 1.00 0.00 N ATOM 220 CA VAL A 18 8.020 4.978 3.152 1.00 0.00 C ATOM 221 C VAL A 18 9.342 5.708 2.927 1.00 0.00 C ATOM 222 O VAL A 18 9.982 6.178 3.867 1.00 0.00 O ATOM 223 CB VAL A 18 6.955 5.956 3.698 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.891 7.227 2.850 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.590 5.279 3.756 1.00 0.00 C ATOM 0 H VAL A 18 7.884 4.003 4.996 1.00 0.00 H new ATOM 0 HA VAL A 18 7.658 4.591 2.199 1.00 0.00 H new ATOM 0 HB VAL A 18 7.243 6.242 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.134 7.898 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.861 7.724 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.632 6.967 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.852 5.981 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.299 4.961 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.642 4.410 4.412 1.00 0.00 H new ATOM 235 N ASP A 19 9.735 5.784 1.663 1.00 0.00 N ATOM 236 CA ASP A 19 11.012 6.361 1.261 1.00 0.00 C ATOM 237 C ASP A 19 10.967 7.882 1.316 1.00 0.00 C ATOM 238 O ASP A 19 11.833 8.518 1.912 1.00 0.00 O ATOM 239 CB ASP A 19 11.358 5.899 -0.158 1.00 0.00 C ATOM 240 CG ASP A 19 12.687 6.439 -0.652 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.738 5.948 -0.194 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.686 7.338 -1.521 1.00 0.00 O ATOM 0 H ASP A 19 9.174 5.445 0.882 1.00 0.00 H new ATOM 0 HA ASP A 19 11.780 6.020 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.383 4.810 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.568 6.215 -0.839 1.00 0.00 H new ATOM 247 N GLN A 20 9.948 8.456 0.693 1.00 0.00 N ATOM 248 CA GLN A 20 9.797 9.904 0.634 1.00 0.00 C ATOM 249 C GLN A 20 8.341 10.300 0.783 1.00 0.00 C ATOM 250 O GLN A 20 7.442 9.622 0.274 1.00 0.00 O ATOM 251 CB GLN A 20 10.359 10.449 -0.678 1.00 0.00 C ATOM 252 CG GLN A 20 11.875 10.521 -0.700 1.00 0.00 C ATOM 253 CD GLN A 20 12.422 10.828 -2.074 1.00 0.00 C ATOM 254 OE1 GLN A 20 12.577 11.988 -2.455 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.733 9.784 -2.821 1.00 0.00 N ATOM 0 H GLN A 20 9.209 7.938 0.218 1.00 0.00 H new ATOM 0 HA GLN A 20 10.359 10.336 1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.021 9.818 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.953 11.445 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.209 11.287 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.285 9.573 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.587 8.840 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.119 9.922 -3.755 1.00 0.00 H new ATOM 264 N VAL A 21 8.122 11.396 1.488 1.00 0.00 N ATOM 265 CA VAL A 21 6.780 11.880 1.767 1.00 0.00 C ATOM 266 C VAL A 21 6.590 13.298 1.234 1.00 0.00 C ATOM 267 O VAL A 21 7.332 14.211 1.592 1.00 0.00 O ATOM 268 CB VAL A 21 6.487 11.868 3.283 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.079 12.363 3.571 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.693 10.477 3.861 1.00 0.00 C ATOM 0 H VAL A 21 8.865 11.974 1.882 1.00 0.00 H new ATOM 0 HA VAL A 21 6.085 11.208 1.264 1.00 0.00 H new ATOM 0 HB VAL A 21 7.190 12.548 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.899 12.344 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.969 13.383 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.357 11.717 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.481 10.492 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.021 9.775 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.725 10.165 3.700 1.00 0.00 H new ATOM 280 N ASP A 22 5.596 13.469 0.374 1.00 0.00 N ATOM 281 CA ASP A 22 5.272 14.777 -0.179 1.00 0.00 C ATOM 282 C ASP A 22 3.805 15.107 0.063 1.00 0.00 C ATOM 283 O ASP A 22 3.136 14.449 0.860 1.00 0.00 O ATOM 284 CB ASP A 22 5.558 14.822 -1.686 1.00 0.00 C ATOM 285 CG ASP A 22 7.034 14.867 -2.016 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.660 13.794 -2.151 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.573 15.985 -2.163 1.00 0.00 O ATOM 0 H ASP A 22 4.996 12.713 0.042 1.00 0.00 H new ATOM 0 HA ASP A 22 5.899 15.514 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.114 13.946 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.070 15.697 -2.115 1.00 0.00 H new ATOM 292 N ASP A 23 3.318 16.137 -0.612 1.00 0.00 N ATOM 293 CA ASP A 23 1.918 16.535 -0.535 1.00 0.00 C ATOM 294 C ASP A 23 1.008 15.537 -1.242 1.00 0.00 C ATOM 295 O ASP A 23 0.188 14.872 -0.615 1.00 0.00 O ATOM 296 CB ASP A 23 1.738 17.923 -1.158 1.00 0.00 C ATOM 297 CG ASP A 23 2.473 18.072 -2.477 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.696 18.330 -2.451 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.844 17.919 -3.541 1.00 0.00 O ATOM 0 H ASP A 23 3.881 16.722 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 23 1.637 16.560 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.676 18.111 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.096 18.680 -0.460 1.00 0.00 H new ATOM 304 N THR A 24 1.172 15.441 -2.546 1.00 0.00 N ATOM 305 CA THR A 24 0.307 14.639 -3.389 1.00 0.00 C ATOM 306 C THR A 24 1.064 13.430 -3.939 1.00 0.00 C ATOM 307 O THR A 24 0.815 12.976 -5.054 1.00 0.00 O ATOM 308 CB THR A 24 -0.223 15.511 -4.541 1.00 0.00 C ATOM 309 OG1 THR A 24 0.876 16.112 -5.242 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.128 16.607 -3.999 1.00 0.00 C ATOM 0 H THR A 24 1.915 15.921 -3.055 1.00 0.00 H new ATOM 0 HA THR A 24 -0.531 14.270 -2.798 1.00 0.00 H new ATOM 0 HB THR A 24 -0.792 14.878 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.146 16.934 -4.783 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.496 17.216 -4.824 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.972 16.157 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.566 17.234 -3.307 1.00 0.00 H new ATOM 318 N SER A 25 1.969 12.903 -3.122 1.00 0.00 N ATOM 319 CA SER A 25 2.882 11.833 -3.520 1.00 0.00 C ATOM 320 C SER A 25 3.598 11.271 -2.293 1.00 0.00 C ATOM 321 O SER A 25 4.122 12.025 -1.480 1.00 0.00 O ATOM 322 CB SER A 25 3.924 12.336 -4.532 1.00 0.00 C ATOM 323 OG SER A 25 3.323 12.734 -5.755 1.00 0.00 O ATOM 0 H SER A 25 2.092 13.208 -2.156 1.00 0.00 H new ATOM 0 HA SER A 25 2.290 11.049 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.469 13.177 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.653 11.549 -4.725 1.00 0.00 H new ATOM 0 HG SER A 25 2.373 12.495 -5.745 1.00 0.00 H new ATOM 329 N ILE A 26 3.600 9.954 -2.156 1.00 0.00 N ATOM 330 CA ILE A 26 4.321 9.277 -1.067 1.00 0.00 C ATOM 331 C ILE A 26 4.777 7.914 -1.565 1.00 0.00 C ATOM 332 O ILE A 26 4.042 7.256 -2.271 1.00 0.00 O ATOM 333 CB ILE A 26 3.442 9.104 0.208 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.255 10.437 0.936 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.044 8.083 1.161 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.374 10.339 2.165 1.00 0.00 C ATOM 0 H ILE A 26 3.109 9.320 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 26 5.173 9.895 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 26 2.468 8.743 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.232 10.821 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.822 11.161 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.407 7.986 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.120 7.118 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.037 8.412 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.287 11.321 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.384 9.985 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.816 9.640 2.875 1.00 0.00 H new ATOM 348 N VAL A 27 5.974 7.478 -1.219 1.00 0.00 N ATOM 349 CA VAL A 27 6.477 6.234 -1.772 1.00 0.00 C ATOM 350 C VAL A 27 6.672 5.218 -0.674 1.00 0.00 C ATOM 351 O VAL A 27 7.227 5.541 0.362 1.00 0.00 O ATOM 352 CB VAL A 27 7.816 6.425 -2.494 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.244 5.116 -3.138 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.723 7.536 -3.527 1.00 0.00 C ATOM 0 H VAL A 27 6.604 7.954 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 27 5.736 5.886 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 27 8.570 6.719 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.196 5.257 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.355 4.351 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.488 4.800 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.686 7.651 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.961 7.284 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.456 8.470 -3.033 1.00 0.00 H new ATOM 364 N VAL A 28 6.229 3.993 -0.891 1.00 0.00 N ATOM 365 CA VAL A 28 6.388 2.969 0.122 1.00 0.00 C ATOM 366 C VAL A 28 7.060 1.743 -0.482 1.00 0.00 C ATOM 367 O VAL A 28 6.851 1.438 -1.652 1.00 0.00 O ATOM 368 CB VAL A 28 5.039 2.585 0.773 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.009 3.680 0.615 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.518 1.268 0.249 1.00 0.00 C ATOM 0 H VAL A 28 5.764 3.687 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 28 7.021 3.375 0.911 1.00 0.00 H new ATOM 0 HB VAL A 28 5.227 2.462 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.075 3.372 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.371 4.592 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.837 3.867 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.569 1.034 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.370 1.338 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.239 0.480 0.466 1.00 0.00 H new ATOM 380 N ARG A 29 7.870 1.060 0.316 1.00 0.00 N ATOM 381 CA ARG A 29 8.654 -0.077 -0.165 1.00 0.00 C ATOM 382 C ARG A 29 8.488 -1.267 0.763 1.00 0.00 C ATOM 383 O ARG A 29 8.834 -1.193 1.943 1.00 0.00 O ATOM 384 CB ARG A 29 10.138 0.305 -0.257 1.00 0.00 C ATOM 385 CG ARG A 29 10.387 1.659 -0.907 1.00 0.00 C ATOM 386 CD ARG A 29 11.867 1.996 -0.964 1.00 0.00 C ATOM 387 NE ARG A 29 12.593 1.159 -1.918 1.00 0.00 N ATOM 388 CZ ARG A 29 13.921 1.098 -1.992 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.668 1.781 -1.131 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.500 0.352 -2.928 1.00 0.00 N ATOM 0 H ARG A 29 8.004 1.273 1.305 1.00 0.00 H new ATOM 0 HA ARG A 29 8.292 -0.350 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.565 0.310 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.666 -0.462 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.976 1.658 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.860 2.432 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.988 3.044 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.303 1.874 0.028 1.00 0.00 H new ATOM 0 HE ARG A 29 12.050 0.588 -2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.224 2.353 -0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.685 1.733 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.927 -0.173 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.517 0.305 -2.985 1.00 0.00 H new ATOM 404 N TRP A 30 8.006 -2.368 0.205 1.00 0.00 N ATOM 405 CA TRP A 30 7.661 -3.566 0.977 1.00 0.00 C ATOM 406 C TRP A 30 8.575 -4.738 0.624 1.00 0.00 C ATOM 407 O TRP A 30 9.133 -4.797 -0.472 1.00 0.00 O ATOM 408 CB TRP A 30 6.183 -3.952 0.746 1.00 0.00 C ATOM 409 CG TRP A 30 5.817 -4.138 -0.685 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.989 -5.255 -1.421 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.180 -3.190 -1.537 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.545 -5.057 -2.699 1.00 0.00 N ATOM 413 CE2 TRP A 30 5.027 -3.801 -2.792 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.730 -1.887 -1.364 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.440 -3.152 -3.866 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.144 -1.247 -2.431 1.00 0.00 C ATOM 417 CH2 TRP A 30 4.003 -1.877 -3.664 1.00 0.00 C ATOM 0 H TRP A 30 7.841 -2.462 -0.797 1.00 0.00 H new ATOM 0 HA TRP A 30 7.804 -3.333 2.032 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.972 -4.875 1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.546 -3.178 1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.417 -6.176 -1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.594 -5.737 -3.457 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.838 -1.388 -0.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.333 -3.637 -4.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.786 -0.235 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.537 -1.343 -4.479 1.00 0.00 H new ATOM 428 N SER A 31 8.733 -5.660 1.563 1.00 0.00 N ATOM 429 CA SER A 31 9.545 -6.848 1.345 1.00 0.00 C ATOM 430 C SER A 31 8.659 -8.047 1.013 1.00 0.00 C ATOM 431 O SER A 31 8.062 -8.651 1.902 1.00 0.00 O ATOM 432 CB SER A 31 10.386 -7.137 2.586 1.00 0.00 C ATOM 433 OG SER A 31 11.143 -6.001 2.959 1.00 0.00 O ATOM 0 H SER A 31 8.307 -5.607 2.488 1.00 0.00 H new ATOM 0 HA SER A 31 10.210 -6.669 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.736 -7.432 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.054 -7.976 2.390 1.00 0.00 H new ATOM 0 HG SER A 31 11.673 -6.208 3.757 1.00 0.00 H new ATOM 439 N ARG A 32 8.582 -8.368 -0.274 1.00 0.00 N ATOM 440 CA ARG A 32 7.701 -9.416 -0.794 1.00 0.00 C ATOM 441 C ARG A 32 7.854 -10.750 -0.046 1.00 0.00 C ATOM 442 O ARG A 32 8.887 -11.025 0.567 1.00 0.00 O ATOM 443 CB ARG A 32 7.981 -9.637 -2.284 1.00 0.00 C ATOM 444 CG ARG A 32 8.113 -8.354 -3.090 1.00 0.00 C ATOM 445 CD ARG A 32 9.524 -7.787 -3.046 1.00 0.00 C ATOM 446 NE ARG A 32 9.981 -7.353 -4.367 1.00 0.00 N ATOM 447 CZ ARG A 32 11.246 -7.048 -4.660 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.191 -7.131 -3.729 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.565 -6.666 -5.889 1.00 0.00 N ATOM 0 H ARG A 32 9.134 -7.905 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 32 6.678 -9.073 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.900 -10.214 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.177 -10.238 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.834 -8.548 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.414 -7.612 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.555 -6.943 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.206 -8.542 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 32 9.288 -7.279 -5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.951 -7.429 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.156 -6.896 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.844 -6.606 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.532 -6.432 -6.116 1.00 0.00 H new ATOM 463 N PRO A 33 6.814 -11.606 -0.121 1.00 0.00 N ATOM 464 CA PRO A 33 6.740 -12.874 0.599 1.00 0.00 C ATOM 465 C PRO A 33 7.469 -14.001 -0.122 1.00 0.00 C ATOM 466 O PRO A 33 7.778 -13.904 -1.311 1.00 0.00 O ATOM 467 CB PRO A 33 5.225 -13.180 0.623 1.00 0.00 C ATOM 468 CG PRO A 33 4.557 -12.041 -0.082 1.00 0.00 C ATOM 469 CD PRO A 33 5.613 -11.416 -0.929 1.00 0.00 C ATOM 0 HA PRO A 33 7.206 -12.803 1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.011 -14.125 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.862 -13.270 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.724 -12.392 -0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.151 -11.323 0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.696 -11.903 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.412 -10.361 -1.117 1.00 0.00 H new ATOM 477 N GLN A 34 7.730 -15.071 0.618 1.00 0.00 N ATOM 478 CA GLN A 34 8.276 -16.300 0.057 1.00 0.00 C ATOM 479 C GLN A 34 7.186 -17.025 -0.727 1.00 0.00 C ATOM 480 O GLN A 34 7.460 -17.877 -1.576 1.00 0.00 O ATOM 481 CB GLN A 34 8.797 -17.184 1.188 1.00 0.00 C ATOM 482 CG GLN A 34 9.402 -18.502 0.733 1.00 0.00 C ATOM 483 CD GLN A 34 9.766 -19.407 1.896 1.00 0.00 C ATOM 484 OE1 GLN A 34 10.720 -20.181 1.823 1.00 0.00 O ATOM 485 NE2 GLN A 34 9.005 -19.324 2.977 1.00 0.00 N ATOM 0 H GLN A 34 7.569 -15.111 1.624 1.00 0.00 H new ATOM 0 HA GLN A 34 9.100 -16.068 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.549 -16.629 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.977 -17.394 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.695 -19.018 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.294 -18.303 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.222 -18.670 3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.202 -19.914 3.786 1.00 0.00 H new ATOM 494 N ALA A 35 5.946 -16.667 -0.416 1.00 0.00 N ATOM 495 CA ALA A 35 4.775 -17.220 -1.075 1.00 0.00 C ATOM 496 C ALA A 35 4.750 -16.881 -2.555 1.00 0.00 C ATOM 497 O ALA A 35 5.190 -15.801 -2.958 1.00 0.00 O ATOM 498 CB ALA A 35 3.515 -16.672 -0.433 1.00 0.00 C ATOM 0 H ALA A 35 5.726 -15.980 0.305 1.00 0.00 H new ATOM 0 HA ALA A 35 4.821 -18.303 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.641 -17.091 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.496 -16.945 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.501 -15.586 -0.527 1.00 0.00 H new ATOM 504 N PRO A 36 4.240 -17.793 -3.391 1.00 0.00 N ATOM 505 CA PRO A 36 3.953 -17.476 -4.778 1.00 0.00 C ATOM 506 C PRO A 36 2.702 -16.611 -4.869 1.00 0.00 C ATOM 507 O PRO A 36 1.600 -17.053 -4.540 1.00 0.00 O ATOM 508 CB PRO A 36 3.713 -18.844 -5.436 1.00 0.00 C ATOM 509 CG PRO A 36 4.041 -19.870 -4.398 1.00 0.00 C ATOM 510 CD PRO A 36 3.918 -19.186 -3.066 1.00 0.00 C ATOM 0 HA PRO A 36 4.756 -16.919 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.679 -18.941 -5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.342 -18.968 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.360 -20.718 -4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.049 -20.259 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.915 -19.284 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.609 -19.601 -2.332 1.00 0.00 H new ATOM 518 N ILE A 37 2.883 -15.386 -5.323 1.00 0.00 N ATOM 519 CA ILE A 37 1.796 -14.426 -5.416 1.00 0.00 C ATOM 520 C ILE A 37 1.635 -13.992 -6.877 1.00 0.00 C ATOM 521 O ILE A 37 2.582 -14.068 -7.655 1.00 0.00 O ATOM 522 CB ILE A 37 2.077 -13.190 -4.517 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.378 -12.522 -4.970 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.136 -13.563 -3.021 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.134 -11.829 -3.868 1.00 0.00 C ATOM 0 H ILE A 37 3.785 -15.027 -5.637 1.00 0.00 H new ATOM 0 HA ILE A 37 0.875 -14.893 -5.068 1.00 0.00 H new ATOM 0 HB ILE A 37 1.251 -12.488 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.024 -13.277 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.148 -11.796 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.334 -12.669 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.183 -13.995 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.932 -14.289 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.042 -11.383 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.509 -11.049 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.399 -12.553 -3.097 1.00 0.00 H new ATOM 537 N THR A 38 0.437 -13.570 -7.256 1.00 0.00 N ATOM 538 CA THR A 38 0.163 -13.181 -8.635 1.00 0.00 C ATOM 539 C THR A 38 0.281 -11.678 -8.866 1.00 0.00 C ATOM 540 O THR A 38 0.528 -11.243 -9.992 1.00 0.00 O ATOM 541 CB THR A 38 -1.229 -13.642 -9.085 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.204 -13.318 -8.091 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.238 -15.125 -9.357 1.00 0.00 C ATOM 0 H THR A 38 -0.363 -13.488 -6.628 1.00 0.00 H new ATOM 0 HA THR A 38 0.928 -13.679 -9.231 1.00 0.00 H new ATOM 0 HB THR A 38 -1.480 -13.120 -10.009 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.088 -13.616 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.235 -15.431 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.520 -15.355 -10.144 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.966 -15.663 -8.449 1.00 0.00 H new ATOM 551 N GLY A 39 0.094 -10.881 -7.825 1.00 0.00 N ATOM 552 CA GLY A 39 0.204 -9.449 -7.984 1.00 0.00 C ATOM 553 C GLY A 39 0.162 -8.725 -6.666 1.00 0.00 C ATOM 554 O GLY A 39 0.325 -9.350 -5.629 1.00 0.00 O ATOM 0 H GLY A 39 -0.130 -11.198 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.137 -9.213 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.608 -9.092 -8.618 1.00 0.00 H new ATOM 558 N TYR A 40 -0.055 -7.418 -6.709 1.00 0.00 N ATOM 559 CA TYR A 40 -0.249 -6.614 -5.506 1.00 0.00 C ATOM 560 C TYR A 40 -1.340 -5.580 -5.708 1.00 0.00 C ATOM 561 O TYR A 40 -1.367 -4.883 -6.725 1.00 0.00 O ATOM 562 CB TYR A 40 1.025 -5.869 -5.108 1.00 0.00 C ATOM 563 CG TYR A 40 1.974 -6.660 -4.239 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.425 -7.908 -4.625 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.420 -6.153 -3.029 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.296 -8.623 -3.843 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.295 -6.865 -2.243 1.00 0.00 C ATOM 568 CZ TYR A 40 3.731 -8.097 -2.655 1.00 0.00 C ATOM 569 OH TYR A 40 4.610 -8.804 -1.880 1.00 0.00 O ATOM 0 H TYR A 40 -0.102 -6.884 -7.577 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.528 -7.313 -4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.550 -5.566 -6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.746 -4.957 -4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.085 -8.328 -5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.075 -5.184 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.637 -9.597 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.637 -6.455 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 40 5.434 -8.967 -2.385 1.00 0.00 H new ATOM 579 N ARG A 41 -2.237 -5.490 -4.744 1.00 0.00 N ATOM 580 CA ARG A 41 -3.154 -4.366 -4.668 1.00 0.00 C ATOM 581 C ARG A 41 -2.629 -3.391 -3.646 1.00 0.00 C ATOM 582 O ARG A 41 -1.917 -3.783 -2.739 1.00 0.00 O ATOM 583 CB ARG A 41 -4.533 -4.805 -4.242 1.00 0.00 C ATOM 584 CG ARG A 41 -4.935 -6.144 -4.817 1.00 0.00 C ATOM 585 CD ARG A 41 -5.231 -6.059 -6.305 1.00 0.00 C ATOM 586 NE ARG A 41 -6.303 -5.105 -6.600 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.944 -5.041 -7.766 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.647 -5.894 -8.740 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.887 -4.127 -7.958 1.00 0.00 N ATOM 0 H ARG A 41 -2.351 -6.181 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.225 -3.912 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.571 -4.858 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.258 -4.052 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.136 -6.866 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.816 -6.514 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.327 -5.764 -6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.512 -7.045 -6.675 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.575 -4.449 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.926 -6.601 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.140 -5.842 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.122 -3.472 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.377 -4.079 -8.851 1.00 0.00 H new ATOM 603 N ILE A 42 -2.921 -2.127 -3.807 1.00 0.00 N ATOM 604 CA ILE A 42 -2.465 -1.141 -2.835 1.00 0.00 C ATOM 605 C ILE A 42 -3.521 -0.099 -2.541 1.00 0.00 C ATOM 606 O ILE A 42 -3.735 0.793 -3.343 1.00 0.00 O ATOM 607 CB ILE A 42 -1.193 -0.441 -3.342 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.175 -1.482 -3.787 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.606 0.456 -2.260 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.975 -0.915 -4.566 1.00 0.00 C ATOM 0 H ILE A 42 -3.463 -1.750 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.253 -1.680 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.452 0.186 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.213 -1.995 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.680 -2.232 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.293 0.942 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.337 1.214 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.353 -0.145 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.656 -1.719 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.600 -0.427 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.506 -0.187 -3.953 1.00 0.00 H new ATOM 622 N VAL A 43 -4.120 -0.163 -1.362 1.00 0.00 N ATOM 623 CA VAL A 43 -5.157 0.794 -1.006 1.00 0.00 C ATOM 624 C VAL A 43 -4.651 1.760 0.043 1.00 0.00 C ATOM 625 O VAL A 43 -4.430 1.396 1.193 1.00 0.00 O ATOM 626 CB VAL A 43 -6.447 0.119 -0.488 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.431 1.159 0.010 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.086 -0.728 -1.573 1.00 0.00 C ATOM 0 H VAL A 43 -3.910 -0.857 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.405 1.328 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.176 -0.532 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.333 0.664 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.979 1.727 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.690 1.835 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.992 -1.193 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.338 -0.097 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.387 -1.503 -1.889 1.00 0.00 H new ATOM 638 N TYR A 44 -4.472 2.991 -0.365 1.00 0.00 N ATOM 639 CA TYR A 44 -4.090 4.037 0.543 1.00 0.00 C ATOM 640 C TYR A 44 -5.236 4.993 0.714 1.00 0.00 C ATOM 641 O TYR A 44 -5.801 5.505 -0.263 1.00 0.00 O ATOM 642 CB TYR A 44 -2.807 4.749 0.095 1.00 0.00 C ATOM 643 CG TYR A 44 -2.655 4.911 -1.401 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.376 3.815 -2.207 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.763 6.156 -2.003 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.215 3.946 -3.565 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.597 6.302 -3.365 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.323 5.197 -4.142 1.00 0.00 C ATOM 649 OH TYR A 44 -2.151 5.350 -5.495 1.00 0.00 O ATOM 0 H TYR A 44 -4.587 3.293 -1.332 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.860 3.592 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.777 5.736 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.950 4.193 0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.284 2.838 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.980 7.023 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.006 3.080 -4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.681 7.278 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.262 6.294 -5.734 1.00 0.00 H new ATOM 659 N SER A 45 -5.589 5.175 1.971 1.00 0.00 N ATOM 660 CA SER A 45 -6.755 5.951 2.347 1.00 0.00 C ATOM 661 C SER A 45 -6.466 6.839 3.555 1.00 0.00 C ATOM 662 O SER A 45 -5.830 6.407 4.514 1.00 0.00 O ATOM 663 CB SER A 45 -7.909 5.002 2.666 1.00 0.00 C ATOM 664 OG SER A 45 -7.497 3.981 3.563 1.00 0.00 O ATOM 0 H SER A 45 -5.075 4.788 2.762 1.00 0.00 H new ATOM 0 HA SER A 45 -7.023 6.599 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.735 5.563 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.280 4.553 1.745 1.00 0.00 H new ATOM 0 HG SER A 45 -8.253 3.388 3.753 1.00 0.00 H new ATOM 670 N PRO A 46 -6.931 8.095 3.512 1.00 0.00 N ATOM 671 CA PRO A 46 -6.811 9.037 4.631 1.00 0.00 C ATOM 672 C PRO A 46 -7.623 8.599 5.842 1.00 0.00 C ATOM 673 O PRO A 46 -8.659 7.946 5.713 1.00 0.00 O ATOM 674 CB PRO A 46 -7.377 10.333 4.077 1.00 0.00 C ATOM 675 CG PRO A 46 -7.412 10.159 2.601 1.00 0.00 C ATOM 676 CD PRO A 46 -7.614 8.700 2.365 1.00 0.00 C ATOM 0 HA PRO A 46 -5.780 9.117 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.375 10.525 4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.754 11.183 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.220 10.742 2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.484 10.503 2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.671 8.436 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.180 8.378 1.418 1.00 0.00 H new ATOM 744 N SER A 52 -8.380 8.530 -1.762 1.00 0.00 N ATOM 745 CA SER A 52 -7.978 7.141 -1.590 1.00 0.00 C ATOM 746 C SER A 52 -7.754 6.505 -2.948 1.00 0.00 C ATOM 747 O SER A 52 -8.446 6.829 -3.914 1.00 0.00 O ATOM 748 CB SER A 52 -9.043 6.357 -0.818 1.00 0.00 C ATOM 749 OG SER A 52 -9.405 7.024 0.380 1.00 0.00 O ATOM 0 HA SER A 52 -7.051 7.116 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.925 6.224 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.666 5.362 -0.583 1.00 0.00 H new ATOM 0 HG SER A 52 -9.308 7.992 0.258 1.00 0.00 H new ATOM 755 N THR A 53 -6.770 5.630 -3.039 1.00 0.00 N ATOM 756 CA THR A 53 -6.463 4.994 -4.311 1.00 0.00 C ATOM 757 C THR A 53 -5.937 3.571 -4.119 1.00 0.00 C ATOM 758 O THR A 53 -5.312 3.265 -3.104 1.00 0.00 O ATOM 759 CB THR A 53 -5.434 5.835 -5.101 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.916 7.178 -5.257 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.161 5.238 -6.472 1.00 0.00 C ATOM 0 H THR A 53 -6.176 5.345 -2.261 1.00 0.00 H new ATOM 0 HA THR A 53 -7.391 4.935 -4.879 1.00 0.00 H new ATOM 0 HB THR A 53 -4.503 5.836 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.259 7.706 -5.757 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.433 5.855 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.766 4.229 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.088 5.202 -7.044 1.00 0.00 H new ATOM 769 N GLU A 54 -6.224 2.710 -5.093 1.00 0.00 N ATOM 770 CA GLU A 54 -5.670 1.372 -5.146 1.00 0.00 C ATOM 771 C GLU A 54 -4.787 1.227 -6.383 1.00 0.00 C ATOM 772 O GLU A 54 -5.263 1.361 -7.512 1.00 0.00 O ATOM 773 CB GLU A 54 -6.779 0.314 -5.180 1.00 0.00 C ATOM 774 CG GLU A 54 -6.250 -1.113 -5.243 1.00 0.00 C ATOM 775 CD GLU A 54 -7.345 -2.147 -5.412 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.240 -1.938 -6.255 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.296 -3.195 -4.733 1.00 0.00 O ATOM 0 H GLU A 54 -6.851 2.928 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.074 1.216 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.403 0.424 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.418 0.495 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.548 -1.197 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.693 -1.328 -4.331 1.00 0.00 H new ATOM 784 N LEU A 55 -3.500 0.982 -6.175 1.00 0.00 N ATOM 785 CA LEU A 55 -2.608 0.704 -7.292 1.00 0.00 C ATOM 786 C LEU A 55 -2.426 -0.793 -7.441 1.00 0.00 C ATOM 787 O LEU A 55 -2.777 -1.559 -6.544 1.00 0.00 O ATOM 788 CB LEU A 55 -1.251 1.433 -7.163 1.00 0.00 C ATOM 789 CG LEU A 55 -1.364 2.954 -7.245 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.009 3.601 -7.463 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.334 3.374 -8.342 1.00 0.00 C ATOM 0 H LEU A 55 -3.055 0.970 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.072 1.096 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.791 1.162 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.584 1.084 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.754 3.301 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.127 4.683 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.652 3.349 -6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.422 3.237 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.394 4.462 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.981 2.999 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.321 2.962 -8.132 1.00 0.00 H new ATOM 803 N ASN A 56 -1.933 -1.209 -8.588 1.00 0.00 N ATOM 804 CA ASN A 56 -1.753 -2.620 -8.865 1.00 0.00 C ATOM 805 C ASN A 56 -0.341 -2.866 -9.350 1.00 0.00 C ATOM 806 O ASN A 56 0.023 -2.471 -10.455 1.00 0.00 O ATOM 807 CB ASN A 56 -2.762 -3.093 -9.912 1.00 0.00 C ATOM 808 CG ASN A 56 -2.677 -4.585 -10.173 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.925 -5.038 -11.039 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.452 -5.359 -9.429 1.00 0.00 N ATOM 0 H ASN A 56 -1.649 -0.589 -9.346 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.921 -3.185 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.769 -2.843 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.592 -2.555 -10.844 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.441 -6.370 -9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.060 -4.944 -8.723 1.00 0.00 H new ATOM 817 N LEU A 57 0.449 -3.527 -8.530 1.00 0.00 N ATOM 818 CA LEU A 57 1.840 -3.742 -8.846 1.00 0.00 C ATOM 819 C LEU A 57 2.054 -5.199 -9.168 1.00 0.00 C ATOM 820 O LEU A 57 1.239 -6.045 -8.807 1.00 0.00 O ATOM 821 CB LEU A 57 2.754 -3.301 -7.686 1.00 0.00 C ATOM 822 CG LEU A 57 2.854 -1.794 -7.449 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.219 -1.448 -6.898 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.588 -1.011 -8.714 1.00 0.00 C ATOM 0 H LEU A 57 0.149 -3.924 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 57 2.102 -3.135 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.397 -3.770 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.756 -3.687 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 57 2.089 -1.518 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.282 -0.373 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.374 -1.971 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.986 -1.751 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.668 0.056 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.319 -1.288 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.585 -1.235 -9.077 1.00 0.00 H new ATOM 836 N PRO A 58 3.111 -5.511 -9.906 1.00 0.00 N ATOM 837 CA PRO A 58 3.462 -6.887 -10.186 1.00 0.00 C ATOM 838 C PRO A 58 3.831 -7.627 -8.907 1.00 0.00 C ATOM 839 O PRO A 58 4.323 -7.037 -7.946 1.00 0.00 O ATOM 840 CB PRO A 58 4.663 -6.793 -11.132 1.00 0.00 C ATOM 841 CG PRO A 58 5.166 -5.393 -11.025 1.00 0.00 C ATOM 842 CD PRO A 58 4.020 -4.547 -10.542 1.00 0.00 C ATOM 0 HA PRO A 58 2.634 -7.443 -10.625 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.437 -7.508 -10.851 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.371 -7.025 -12.156 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.005 -5.337 -10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.526 -5.038 -11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.354 -3.787 -9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.535 -4.024 -11.366 1.00 0.00 H new ATOM 850 N GLU A 59 3.544 -8.919 -8.921 1.00 0.00 N ATOM 851 CA GLU A 59 3.828 -9.851 -7.822 1.00 0.00 C ATOM 852 C GLU A 59 5.222 -9.667 -7.223 1.00 0.00 C ATOM 853 O GLU A 59 5.451 -9.971 -6.056 1.00 0.00 O ATOM 854 CB GLU A 59 3.700 -11.278 -8.355 1.00 0.00 C ATOM 855 CG GLU A 59 4.568 -11.540 -9.579 1.00 0.00 C ATOM 856 CD GLU A 59 4.416 -12.943 -10.128 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.157 -13.844 -9.679 1.00 0.00 O ATOM 858 OE2 GLU A 59 3.570 -13.150 -11.028 1.00 0.00 O ATOM 0 H GLU A 59 3.093 -9.369 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 59 3.111 -9.649 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.973 -11.980 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.658 -11.473 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.312 -10.822 -10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.613 -11.370 -9.319 1.00 0.00 H new ATOM 865 N THR A 60 6.137 -9.168 -8.027 1.00 0.00 N ATOM 866 CA THR A 60 7.529 -9.074 -7.638 1.00 0.00 C ATOM 867 C THR A 60 7.940 -7.620 -7.369 1.00 0.00 C ATOM 868 O THR A 60 9.120 -7.323 -7.174 1.00 0.00 O ATOM 869 CB THR A 60 8.418 -9.695 -8.737 1.00 0.00 C ATOM 870 OG1 THR A 60 9.794 -9.710 -8.338 1.00 0.00 O ATOM 871 CG2 THR A 60 8.261 -8.935 -10.045 1.00 0.00 C ATOM 0 H THR A 60 5.939 -8.818 -8.964 1.00 0.00 H new ATOM 0 HA THR A 60 7.665 -9.628 -6.709 1.00 0.00 H new ATOM 0 HB THR A 60 8.093 -10.725 -8.887 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.993 -8.903 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.895 -9.388 -10.807 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.221 -8.977 -10.367 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.554 -7.895 -9.899 1.00 0.00 H new ATOM 879 N ALA A 61 6.961 -6.721 -7.339 1.00 0.00 N ATOM 880 CA ALA A 61 7.225 -5.311 -7.062 1.00 0.00 C ATOM 881 C ALA A 61 7.505 -5.116 -5.584 1.00 0.00 C ATOM 882 O ALA A 61 7.155 -5.971 -4.771 1.00 0.00 O ATOM 883 CB ALA A 61 6.046 -4.452 -7.480 1.00 0.00 C ATOM 0 H ALA A 61 5.979 -6.942 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 61 8.099 -5.005 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.264 -3.406 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.868 -4.573 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.158 -4.759 -6.927 1.00 0.00 H new ATOM 889 N ASN A 62 8.126 -4.003 -5.229 1.00 0.00 N ATOM 890 CA ASN A 62 8.468 -3.754 -3.837 1.00 0.00 C ATOM 891 C ASN A 62 8.340 -2.287 -3.461 1.00 0.00 C ATOM 892 O ASN A 62 8.887 -1.870 -2.448 1.00 0.00 O ATOM 893 CB ASN A 62 9.891 -4.225 -3.525 1.00 0.00 C ATOM 894 CG ASN A 62 10.963 -3.444 -4.270 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.758 -2.989 -5.396 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.117 -3.282 -3.642 1.00 0.00 N ATOM 0 H ASN A 62 8.401 -3.265 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 62 7.753 -4.324 -3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.068 -4.138 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.980 -5.281 -3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.874 -2.766 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.250 -3.674 -2.710 1.00 0.00 H new ATOM 903 N SER A 63 7.625 -1.499 -4.250 1.00 0.00 N ATOM 904 CA SER A 63 7.454 -0.094 -3.917 1.00 0.00 C ATOM 905 C SER A 63 6.404 0.575 -4.797 1.00 0.00 C ATOM 906 O SER A 63 6.413 0.418 -6.017 1.00 0.00 O ATOM 907 CB SER A 63 8.792 0.641 -4.056 1.00 0.00 C ATOM 908 OG SER A 63 9.407 0.357 -5.300 1.00 0.00 O ATOM 0 H SER A 63 7.163 -1.800 -5.108 1.00 0.00 H new ATOM 0 HA SER A 63 7.107 -0.039 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.631 1.715 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.457 0.348 -3.244 1.00 0.00 H new ATOM 0 HG SER A 63 8.718 0.251 -5.989 1.00 0.00 H new ATOM 914 N VAL A 64 5.514 1.335 -4.175 1.00 0.00 N ATOM 915 CA VAL A 64 4.501 2.089 -4.907 1.00 0.00 C ATOM 916 C VAL A 64 4.703 3.583 -4.695 1.00 0.00 C ATOM 917 O VAL A 64 5.027 4.024 -3.581 1.00 0.00 O ATOM 918 CB VAL A 64 3.053 1.722 -4.491 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.868 1.815 -3.003 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.063 2.603 -5.191 1.00 0.00 C ATOM 0 H VAL A 64 5.471 1.447 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 64 4.625 1.825 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 64 2.878 0.688 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.842 1.551 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.554 1.128 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.074 2.833 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.053 2.330 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.252 3.644 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.163 2.477 -6.269 1.00 0.00 H new ATOM 930 N THR A 65 4.552 4.346 -5.767 1.00 0.00 N ATOM 931 CA THR A 65 4.488 5.775 -5.681 1.00 0.00 C ATOM 932 C THR A 65 3.027 6.221 -5.700 1.00 0.00 C ATOM 933 O THR A 65 2.380 6.252 -6.747 1.00 0.00 O ATOM 934 CB THR A 65 5.249 6.390 -6.856 1.00 0.00 C ATOM 935 OG1 THR A 65 6.653 6.124 -6.717 1.00 0.00 O ATOM 936 CG2 THR A 65 5.010 7.891 -6.960 1.00 0.00 C ATOM 0 H THR A 65 4.472 3.980 -6.716 1.00 0.00 H new ATOM 0 HA THR A 65 4.946 6.110 -4.751 1.00 0.00 H new ATOM 0 HB THR A 65 4.877 5.932 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.137 6.518 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.568 8.290 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.946 8.081 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.345 8.377 -6.044 1.00 0.00 H new ATOM 944 N LEU A 66 2.515 6.532 -4.528 1.00 0.00 N ATOM 945 CA LEU A 66 1.154 7.008 -4.371 1.00 0.00 C ATOM 946 C LEU A 66 1.089 8.461 -4.788 1.00 0.00 C ATOM 947 O LEU A 66 2.023 9.224 -4.520 1.00 0.00 O ATOM 948 CB LEU A 66 0.708 6.901 -2.921 1.00 0.00 C ATOM 949 CG LEU A 66 1.468 5.901 -2.067 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.266 6.213 -0.611 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.014 4.493 -2.383 1.00 0.00 C ATOM 0 H LEU A 66 3.033 6.462 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 66 0.498 6.396 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.796 7.885 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.349 6.635 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 66 2.532 5.975 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.814 5.492 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.633 7.217 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.204 6.157 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.566 3.785 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.052 4.400 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.201 4.278 -3.435 1.00 0.00 H new ATOM 963 N SER A 67 -0.014 8.851 -5.398 1.00 0.00 N ATOM 964 CA SER A 67 -0.145 10.191 -5.927 1.00 0.00 C ATOM 965 C SER A 67 -1.541 10.726 -5.657 1.00 0.00 C ATOM 966 O SER A 67 -2.395 10.002 -5.143 1.00 0.00 O ATOM 967 CB SER A 67 0.158 10.197 -7.428 1.00 0.00 C ATOM 968 OG SER A 67 -0.680 9.291 -8.126 1.00 0.00 O ATOM 0 H SER A 67 -0.831 8.257 -5.538 1.00 0.00 H new ATOM 0 HA SER A 67 0.574 10.841 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.020 11.203 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.202 9.930 -7.592 1.00 0.00 H new ATOM 0 HG SER A 67 -0.466 9.317 -9.082 1.00 0.00 H new ATOM 974 N ASP A 68 -1.751 11.997 -5.988 1.00 0.00 N ATOM 975 CA ASP A 68 -3.043 12.655 -5.811 1.00 0.00 C ATOM 976 C ASP A 68 -3.439 12.681 -4.334 1.00 0.00 C ATOM 977 O ASP A 68 -4.617 12.692 -3.988 1.00 0.00 O ATOM 978 CB ASP A 68 -4.119 11.961 -6.658 1.00 0.00 C ATOM 979 CG ASP A 68 -5.433 12.715 -6.685 1.00 0.00 C ATOM 980 OD1 ASP A 68 -5.438 13.898 -7.086 1.00 0.00 O ATOM 981 OD2 ASP A 68 -6.466 12.132 -6.304 1.00 0.00 O ATOM 0 H ASP A 68 -1.031 12.600 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.955 13.687 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.752 11.846 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.290 10.958 -6.266 1.00 0.00 H new ATOM 986 N LEU A 69 -2.443 12.694 -3.456 1.00 0.00 N ATOM 987 CA LEU A 69 -2.704 12.789 -2.025 1.00 0.00 C ATOM 988 C LEU A 69 -3.134 14.211 -1.675 1.00 0.00 C ATOM 989 O LEU A 69 -3.305 15.054 -2.552 1.00 0.00 O ATOM 990 CB LEU A 69 -1.477 12.416 -1.185 1.00 0.00 C ATOM 991 CG LEU A 69 -0.670 11.212 -1.641 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.533 11.043 -0.746 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.535 9.971 -1.583 1.00 0.00 C ATOM 0 H LEU A 69 -1.456 12.640 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.498 12.080 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.811 13.279 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.809 12.234 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.334 11.365 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.112 10.179 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.154 11.937 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.203 10.890 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.955 9.108 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.876 9.812 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.398 10.098 -2.237 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.330 14.467 -0.397 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.718 15.787 0.061 1.00 0.00 C ATOM 1007 C GLN A 70 -2.828 16.176 1.236 1.00 0.00 C ATOM 1008 O GLN A 70 -2.769 15.450 2.223 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.195 15.781 0.472 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.760 17.152 0.823 1.00 0.00 C ATOM 1011 CD GLN A 70 -5.909 18.054 -0.389 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.009 18.822 -0.726 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.046 17.959 -1.059 1.00 0.00 N ATOM 0 H GLN A 70 -3.227 13.776 0.346 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.594 16.517 -0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.784 15.357 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.317 15.121 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.732 17.028 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.107 17.634 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.769 17.310 -0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.200 18.535 -1.887 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.093 17.294 1.122 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.166 17.750 2.167 1.00 0.00 C ATOM 1024 C PRO A 71 -1.862 18.035 3.495 1.00 0.00 C ATOM 1025 O PRO A 71 -2.942 18.633 3.527 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.560 19.031 1.591 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.491 19.459 0.510 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.097 18.200 -0.037 1.00 0.00 C ATOM 0 HA PRO A 71 -0.426 16.985 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.468 19.801 2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.441 18.850 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.261 20.125 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.960 20.006 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.106 18.369 -0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.512 17.798 -0.864 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.243 17.600 4.586 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.830 17.784 5.898 1.00 0.00 C ATOM 1038 C GLY A 72 -2.873 16.728 6.190 1.00 0.00 C ATOM 1039 O GLY A 72 -3.803 16.950 6.967 1.00 0.00 O ATOM 0 H GLY A 72 -0.342 17.122 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.048 17.745 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.284 18.773 5.959 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.718 15.577 5.554 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.670 14.489 5.685 1.00 0.00 C ATOM 1045 C VAL A 73 -2.950 13.174 5.973 1.00 0.00 C ATOM 1046 O VAL A 73 -1.925 12.865 5.359 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.529 14.354 4.406 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.388 13.121 4.453 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.449 15.539 4.250 1.00 0.00 C ATOM 0 H VAL A 73 -1.933 15.373 4.936 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.328 14.718 6.523 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.834 14.295 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.980 13.055 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.754 12.239 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.054 13.174 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.043 15.422 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.112 15.601 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.858 16.452 4.181 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.489 12.414 6.918 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.906 11.158 7.337 1.00 0.00 C ATOM 1061 C GLN A 74 -3.287 10.056 6.357 1.00 0.00 C ATOM 1062 O GLN A 74 -4.465 9.745 6.201 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.422 10.835 8.733 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.430 10.090 9.615 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.126 8.695 9.113 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.817 7.737 9.455 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -1.078 8.566 8.318 1.00 0.00 N ATOM 0 H GLN A 74 -4.346 12.658 7.414 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.819 11.232 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.702 11.765 9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.329 10.237 8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.503 10.660 9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.828 10.027 10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.531 9.387 8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.816 7.646 7.964 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.295 9.472 5.702 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.551 8.459 4.688 1.00 0.00 C ATOM 1078 C TYR A 75 -2.112 7.075 5.136 1.00 0.00 C ATOM 1079 O TYR A 75 -0.935 6.826 5.370 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.864 8.834 3.377 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.719 9.731 2.518 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.618 9.189 1.614 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -2.650 11.113 2.624 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.422 9.995 0.840 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.458 11.927 1.856 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.341 11.363 0.962 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.160 12.169 0.199 1.00 0.00 O ATOM 0 H TYR A 75 -1.308 9.681 5.853 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.629 8.423 4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.921 9.335 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.623 7.927 2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.689 8.116 1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.953 11.559 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.115 9.554 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.398 13.001 1.956 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.349 12.998 0.686 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.075 6.181 5.260 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.803 4.795 5.597 1.00 0.00 C ATOM 1099 C ASN A 76 -2.586 3.990 4.322 1.00 0.00 C ATOM 1100 O ASN A 76 -3.520 3.798 3.539 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.975 4.200 6.387 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.317 5.002 7.629 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -5.094 5.955 7.571 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -3.761 4.610 8.765 1.00 0.00 N ATOM 0 H ASN A 76 -4.064 6.393 5.131 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.904 4.753 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.852 4.147 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.730 3.178 6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.972 5.103 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.122 3.815 8.772 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.354 3.544 4.100 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.042 2.728 2.933 1.00 0.00 C ATOM 1113 C ILE A 77 -1.176 1.266 3.280 1.00 0.00 C ATOM 1114 O ILE A 77 -0.487 0.755 4.164 1.00 0.00 O ATOM 1115 CB ILE A 77 0.381 2.973 2.377 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.580 4.411 1.928 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.684 2.054 1.203 1.00 0.00 C ATOM 1118 CD1 ILE A 77 1.005 5.359 3.028 1.00 0.00 C ATOM 0 H ILE A 77 -0.559 3.733 4.710 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.753 3.017 2.159 1.00 0.00 H new ATOM 0 HB ILE A 77 1.065 2.760 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.331 4.431 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.351 4.774 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.691 2.252 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.613 1.015 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.035 2.235 0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.124 6.362 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.245 5.374 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.953 5.025 3.450 1.00 0.00 H new ATOM 1130 N THR A 78 -2.074 0.611 2.592 1.00 0.00 N ATOM 1131 CA THR A 78 -2.333 -0.776 2.812 1.00 0.00 C ATOM 1132 C THR A 78 -1.844 -1.599 1.618 1.00 0.00 C ATOM 1133 O THR A 78 -2.362 -1.449 0.505 1.00 0.00 O ATOM 1134 CB THR A 78 -3.834 -0.972 3.013 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.314 -0.040 3.995 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.152 -2.390 3.452 1.00 0.00 C ATOM 0 H THR A 78 -2.646 1.033 1.861 1.00 0.00 H new ATOM 0 HA THR A 78 -1.799 -1.114 3.700 1.00 0.00 H new ATOM 0 HB THR A 78 -4.332 -0.794 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.278 -0.166 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.228 -2.497 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.810 -3.092 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.646 -2.601 4.394 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.848 -2.454 1.840 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.319 -3.283 0.746 1.00 0.00 C ATOM 1146 C ILE A 79 -1.002 -4.648 0.769 1.00 0.00 C ATOM 1147 O ILE A 79 -1.286 -5.190 1.830 1.00 0.00 O ATOM 1148 CB ILE A 79 1.224 -3.524 0.793 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.053 -2.266 1.014 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.703 -4.141 -0.495 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.686 -1.099 0.141 1.00 0.00 C ATOM 0 H ILE A 79 -0.396 -2.594 2.744 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.528 -2.723 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 79 1.369 -4.184 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.956 -1.964 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.103 -2.508 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.780 -4.301 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.201 -5.096 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.475 -3.473 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.332 -0.253 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.812 -1.374 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.647 -0.822 0.321 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.273 -5.188 -0.398 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.921 -6.477 -0.521 1.00 0.00 C ATOM 1165 C TYR A 80 -1.141 -7.372 -1.471 1.00 0.00 C ATOM 1166 O TYR A 80 -1.103 -7.106 -2.676 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.335 -6.323 -1.095 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.259 -5.390 -0.341 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.317 -4.027 -0.638 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.105 -5.881 0.645 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.190 -3.195 0.029 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.976 -5.049 1.317 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.017 -3.709 1.004 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.893 -2.876 1.664 1.00 0.00 O ATOM 0 H TYR A 80 -1.051 -4.746 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.963 -6.915 0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.252 -5.968 -2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.799 -7.308 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.669 -3.619 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.080 -6.933 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.226 -2.143 -0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.623 -5.447 2.085 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.405 -3.393 2.320 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.541 -8.433 -0.948 1.00 0.00 N ATOM 1185 CA ALA A 81 0.014 -9.467 -1.806 1.00 0.00 C ATOM 1186 C ALA A 81 -1.142 -10.328 -2.263 1.00 0.00 C ATOM 1187 O ALA A 81 -1.903 -10.818 -1.438 1.00 0.00 O ATOM 1188 CB ALA A 81 1.070 -10.310 -1.075 1.00 0.00 C ATOM 0 H ALA A 81 -0.428 -8.598 0.052 1.00 0.00 H new ATOM 0 HA ALA A 81 0.525 -9.014 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.460 -11.071 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.885 -9.666 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.615 -10.792 -0.209 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.324 -10.450 -3.563 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.437 -11.245 -4.081 1.00 0.00 C ATOM 1196 C VAL A 82 -1.916 -12.479 -4.785 1.00 0.00 C ATOM 1197 O VAL A 82 -0.941 -12.398 -5.523 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.371 -10.442 -5.031 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.638 -9.898 -6.233 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.534 -11.294 -5.499 1.00 0.00 C ATOM 0 H VAL A 82 -0.732 -10.021 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.039 -11.536 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.745 -9.599 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.334 -9.346 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.841 -9.232 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.209 -10.723 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.171 -10.708 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.155 -12.164 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.114 -11.624 -4.637 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.559 -13.611 -4.538 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.148 -14.878 -5.102 1.00 0.00 C ATOM 1212 C GLU A 83 -3.223 -15.388 -6.055 1.00 0.00 C ATOM 1213 O GLU A 83 -4.309 -14.806 -6.136 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.870 -15.926 -4.020 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.253 -15.396 -2.745 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.251 -14.722 -1.824 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.072 -15.433 -1.209 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -2.205 -13.489 -1.694 1.00 0.00 O ATOM 0 H GLU A 83 -3.382 -13.671 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.217 -14.713 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.807 -16.423 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.208 -16.685 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.777 -16.219 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.468 -14.684 -2.999 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.905 -16.453 -6.786 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.775 -16.990 -7.838 1.00 0.00 C ATOM 1227 C GLU A 84 -5.238 -17.090 -7.402 1.00 0.00 C ATOM 1228 O GLU A 84 -6.138 -16.714 -8.153 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.284 -18.373 -8.281 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.829 -18.397 -8.717 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.420 -19.725 -9.316 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.115 -20.660 -8.553 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.397 -19.837 -10.559 1.00 0.00 O ATOM 0 H GLU A 84 -2.035 -16.972 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.725 -16.288 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.419 -19.076 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.906 -18.722 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.660 -17.606 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.193 -18.179 -7.859 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.476 -17.589 -6.199 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.839 -17.807 -5.729 1.00 0.00 C ATOM 1242 C ASN A 85 -7.173 -16.959 -4.501 1.00 0.00 C ATOM 1243 O ASN A 85 -8.347 -16.760 -4.181 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.049 -19.294 -5.410 1.00 0.00 C ATOM 1245 CG ASN A 85 -8.416 -19.593 -4.812 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -8.591 -19.586 -3.591 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -9.393 -19.862 -5.664 1.00 0.00 N ATOM 0 H ASN A 85 -4.749 -17.850 -5.532 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.512 -17.500 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.924 -19.876 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.276 -19.622 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.329 -20.073 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.210 -19.858 -6.667 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.160 -16.430 -3.829 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.379 -15.811 -2.529 1.00 0.00 C ATOM 1256 C GLN A 86 -5.787 -14.409 -2.468 1.00 0.00 C ATOM 1257 O GLN A 86 -5.172 -13.938 -3.421 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.753 -16.668 -1.426 1.00 0.00 C ATOM 1259 CG GLN A 86 -6.261 -18.099 -1.374 1.00 0.00 C ATOM 1260 CD GLN A 86 -5.565 -18.914 -0.303 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -6.004 -18.958 0.846 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -4.474 -19.568 -0.669 1.00 0.00 N ATOM 0 H GLN A 86 -5.194 -16.416 -4.155 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.456 -15.738 -2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.672 -16.685 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.943 -16.193 -0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.335 -18.095 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.110 -18.572 -2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.141 -19.507 -1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.966 -20.133 0.011 1.00 0.00 H new ATOM 1271 N GLU A 87 -6.016 -13.746 -1.343 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.385 -12.470 -1.041 1.00 0.00 C ATOM 1273 C GLU A 87 -4.785 -12.533 0.359 1.00 0.00 C ATOM 1274 O GLU A 87 -5.471 -12.888 1.322 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.400 -11.325 -1.138 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.904 -11.078 -2.550 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.916 -9.955 -2.631 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -7.503 -8.780 -2.735 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -9.133 -10.240 -2.608 1.00 0.00 O ATOM 0 H GLU A 87 -6.646 -14.079 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.596 -12.277 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.249 -11.547 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.942 -10.411 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.058 -10.844 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.354 -11.993 -2.934 1.00 0.00 H new ATOM 1286 N SER A 88 -3.502 -12.233 0.459 1.00 0.00 N ATOM 1287 CA SER A 88 -2.784 -12.311 1.723 1.00 0.00 C ATOM 1288 C SER A 88 -3.182 -11.181 2.669 1.00 0.00 C ATOM 1289 O SER A 88 -3.938 -10.279 2.300 1.00 0.00 O ATOM 1290 CB SER A 88 -1.276 -12.276 1.472 1.00 0.00 C ATOM 1291 OG SER A 88 -0.878 -13.333 0.617 1.00 0.00 O ATOM 0 H SER A 88 -2.929 -11.930 -0.328 1.00 0.00 H new ATOM 0 HA SER A 88 -3.052 -13.254 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.000 -11.320 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.744 -12.351 2.421 1.00 0.00 H new ATOM 0 HG SER A 88 -1.166 -13.139 -0.299 1.00 0.00 H new ATOM 1297 N THR A 89 -2.669 -11.245 3.894 1.00 0.00 N ATOM 1298 CA THR A 89 -2.935 -10.230 4.901 1.00 0.00 C ATOM 1299 C THR A 89 -2.436 -8.855 4.448 1.00 0.00 C ATOM 1300 O THR A 89 -1.563 -8.751 3.586 1.00 0.00 O ATOM 1301 CB THR A 89 -2.281 -10.619 6.242 1.00 0.00 C ATOM 1302 OG1 THR A 89 -1.174 -11.504 6.010 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.292 -11.291 7.159 1.00 0.00 C ATOM 0 H THR A 89 -2.061 -11.999 4.213 1.00 0.00 H new ATOM 0 HA THR A 89 -4.015 -10.170 5.038 1.00 0.00 H new ATOM 0 HB THR A 89 -1.922 -9.710 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.763 -11.745 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.810 -11.557 8.099 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.117 -10.606 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.675 -12.192 6.680 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.018 -7.778 4.989 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.681 -6.425 4.584 1.00 0.00 C ATOM 1313 C PRO A 90 -1.513 -5.803 5.357 1.00 0.00 C ATOM 1314 O PRO A 90 -1.352 -6.009 6.562 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.976 -5.669 4.870 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.590 -6.376 6.034 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.067 -7.789 6.025 1.00 0.00 C ATOM 0 HA PRO A 90 -2.342 -6.392 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.778 -4.623 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.640 -5.683 4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.331 -5.876 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.677 -6.368 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.664 -8.071 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.855 -8.504 5.787 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.709 -5.047 4.628 1.00 0.00 N ATOM 1326 CA VAL A 91 0.272 -4.137 5.198 1.00 0.00 C ATOM 1327 C VAL A 91 -0.431 -2.855 5.560 1.00 0.00 C ATOM 1328 O VAL A 91 -1.078 -2.275 4.697 1.00 0.00 O ATOM 1329 CB VAL A 91 1.329 -3.737 4.161 1.00 0.00 C ATOM 1330 CG1 VAL A 91 2.012 -2.449 4.589 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.348 -4.832 3.939 1.00 0.00 C ATOM 0 H VAL A 91 -0.719 -5.048 3.608 1.00 0.00 H new ATOM 0 HA VAL A 91 0.736 -4.636 6.048 1.00 0.00 H new ATOM 0 HB VAL A 91 0.820 -3.576 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.761 -2.171 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.271 -1.654 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.495 -2.597 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.077 -4.506 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.858 -5.050 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.845 -5.731 3.582 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.310 -2.398 6.791 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.811 -1.081 7.121 1.00 0.00 C ATOM 1343 C VAL A 92 0.322 -0.204 7.631 1.00 0.00 C ATOM 1344 O VAL A 92 0.815 -0.389 8.744 1.00 0.00 O ATOM 1345 CB VAL A 92 -1.943 -1.116 8.165 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.635 0.236 8.207 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -2.941 -2.223 7.857 1.00 0.00 C ATOM 0 H VAL A 92 0.121 -2.907 7.563 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.227 -0.665 6.204 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.511 -1.328 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.436 0.212 8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.913 1.006 8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.053 0.462 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.728 -2.223 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.380 -2.054 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.430 -3.186 7.866 1.00 0.00 H new ATOM 1357 N ILE A 93 0.739 0.733 6.798 1.00 0.00 N ATOM 1358 CA ILE A 93 1.754 1.705 7.167 1.00 0.00 C ATOM 1359 C ILE A 93 1.204 3.110 6.981 1.00 0.00 C ATOM 1360 O ILE A 93 0.907 3.532 5.865 1.00 0.00 O ATOM 1361 CB ILE A 93 3.052 1.535 6.342 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.736 1.364 4.861 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.852 0.350 6.859 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.904 1.687 3.970 1.00 0.00 C ATOM 0 H ILE A 93 0.384 0.842 5.848 1.00 0.00 H new ATOM 0 HA ILE A 93 2.009 1.538 8.213 1.00 0.00 H new ATOM 0 HB ILE A 93 3.652 2.438 6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.420 0.337 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.896 2.007 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.763 0.241 6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.113 0.516 7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.254 -0.558 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.617 1.546 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.206 2.723 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.737 1.026 4.209 1.00 0.00 H new ATOM 1376 N GLN A 94 1.034 3.825 8.076 1.00 0.00 N ATOM 1377 CA GLN A 94 0.419 5.135 8.014 1.00 0.00 C ATOM 1378 C GLN A 94 1.466 6.244 8.025 1.00 0.00 C ATOM 1379 O GLN A 94 2.346 6.290 8.886 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.587 5.309 9.155 1.00 0.00 C ATOM 1381 CG GLN A 94 0.028 5.287 10.546 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.018 5.347 11.639 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.135 4.854 11.474 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -0.673 5.962 12.755 1.00 0.00 N ATOM 0 H GLN A 94 1.310 3.524 9.011 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.120 5.211 7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.112 6.254 9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.333 4.517 9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.622 4.380 10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.710 6.131 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.263 6.357 12.852 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.342 6.042 13.521 1.00 0.00 H new ATOM 1393 N GLN A 95 1.380 7.107 7.029 1.00 0.00 N ATOM 1394 CA GLN A 95 2.246 8.265 6.913 1.00 0.00 C ATOM 1395 C GLN A 95 1.409 9.498 6.579 1.00 0.00 C ATOM 1396 O GLN A 95 0.600 9.472 5.653 1.00 0.00 O ATOM 1397 CB GLN A 95 3.289 8.027 5.816 1.00 0.00 C ATOM 1398 CG GLN A 95 4.728 8.048 6.311 1.00 0.00 C ATOM 1399 CD GLN A 95 5.128 9.360 6.966 1.00 0.00 C ATOM 1400 OE1 GLN A 95 5.977 9.384 7.856 1.00 0.00 O ATOM 1401 NE2 GLN A 95 4.536 10.461 6.530 1.00 0.00 N ATOM 0 H GLN A 95 0.702 7.023 6.272 1.00 0.00 H new ATOM 0 HA GLN A 95 2.761 8.427 7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.092 7.064 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.170 8.789 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.869 7.237 7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.395 7.853 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.836 10.405 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.780 11.365 6.934 1.00 0.00 H new ATOM 1410 N GLU A 96 1.571 10.560 7.349 1.00 0.00 N ATOM 1411 CA GLU A 96 0.870 11.803 7.068 1.00 0.00 C ATOM 1412 C GLU A 96 1.674 12.648 6.095 1.00 0.00 C ATOM 1413 O GLU A 96 2.897 12.740 6.194 1.00 0.00 O ATOM 1414 CB GLU A 96 0.599 12.583 8.355 1.00 0.00 C ATOM 1415 CG GLU A 96 -0.104 13.913 8.124 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.363 14.668 9.407 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -1.376 14.380 10.075 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.440 15.559 9.751 1.00 0.00 O ATOM 0 H GLU A 96 2.177 10.588 8.169 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.090 11.559 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.010 11.970 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.545 12.765 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.503 14.529 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.051 13.735 7.615 1.00 0.00 H new ATOM 1425 N THR A 97 0.979 13.244 5.147 1.00 0.00 N ATOM 1426 CA THR A 97 1.612 14.044 4.122 1.00 0.00 C ATOM 1427 C THR A 97 2.176 15.336 4.700 1.00 0.00 C ATOM 1428 O THR A 97 1.439 16.172 5.227 1.00 0.00 O ATOM 1429 CB THR A 97 0.611 14.370 3.009 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.586 14.903 3.590 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.278 13.123 2.207 1.00 0.00 C ATOM 0 H THR A 97 -0.036 13.187 5.067 1.00 0.00 H new ATOM 0 HA THR A 97 2.437 13.463 3.708 1.00 0.00 H new ATOM 0 HB THR A 97 1.056 15.105 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.332 14.789 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.434 13.375 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.188 12.726 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.159 12.373 2.866 1.00 0.00 H new ATOM 1439 N THR A 98 3.487 15.482 4.601 1.00 0.00 N ATOM 1440 CA THR A 98 4.173 16.655 5.110 1.00 0.00 C ATOM 1441 C THR A 98 3.835 17.879 4.260 1.00 0.00 C ATOM 1442 O THR A 98 3.805 19.009 4.749 1.00 0.00 O ATOM 1443 CB THR A 98 5.691 16.420 5.107 1.00 0.00 C ATOM 1444 OG1 THR A 98 5.973 15.143 5.701 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.420 17.508 5.880 1.00 0.00 C ATOM 0 H THR A 98 4.102 14.793 4.167 1.00 0.00 H new ATOM 0 HA THR A 98 3.842 16.835 6.133 1.00 0.00 H new ATOM 0 HB THR A 98 6.040 16.443 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.941 14.988 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.492 17.313 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.218 18.477 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.073 17.515 6.913 1.00 0.00 H new