USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=25 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 76 ASN :FLIP amide:sc= -0.218 F(o=-1.5!,f=-0.4) USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= -0.184 X(o=-0.5,f=-0.4) USER MOD Set 2.1: A 62 ASN : amide:sc= -0.0764 K(o=-0.05,f=-3!) USER MOD Set 2.2: A 63 SER OG : rot 35:sc= 0.0266 USER MOD Set 3.1: A 45 SER OG : rot 180:sc= -0.0718 USER MOD Set 3.2: A 52 SER OG : rot 37:sc= -0.233 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 24 THR OG1 : rot -80:sc= 1.24 USER MOD Single : A 25 SER OG : rot -6:sc= 1.02 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0103 K(o=-0.01,f=-0.98) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.608 USER MOD Single : A 40 TYR OH : rot 40:sc= -4.13! USER MOD Single : A 44 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 56 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.066) USER MOD Single : A 60 THR OG1 : rot -39:sc= 1.01 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00348 USER MOD Single : A 70 GLN : amide:sc= -1.86 K(o=-1.9,f=-7!) USER MOD Single : A 74 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.0015) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc=-0.00616 USER MOD Single : A 85 ASN : amide:sc= 0.0676 K(o=0.068,f=-5!) USER MOD Single : A 86 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 88 SER OG : rot 78:sc= 1.08 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 95 GLN : amide:sc= -9.94! C(o=-9.9!,f=-15!) USER MOD Single : A 97 THR OG1 : rot -157:sc= 2.13 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 1.722 -11.301 4.131 1.00 0.00 N ATOM 142 CA ALA A 12 2.037 -9.968 3.650 1.00 0.00 C ATOM 143 C ALA A 12 3.513 -9.673 3.849 1.00 0.00 C ATOM 144 O ALA A 12 4.146 -10.236 4.746 1.00 0.00 O ATOM 145 CB ALA A 12 1.219 -8.936 4.405 1.00 0.00 C ATOM 0 HA ALA A 12 1.798 -9.919 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.462 -7.939 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.157 -9.130 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.449 -8.996 5.469 1.00 0.00 H new ATOM 151 N PRO A 13 4.079 -8.788 3.021 1.00 0.00 N ATOM 152 CA PRO A 13 5.451 -8.317 3.198 1.00 0.00 C ATOM 153 C PRO A 13 5.636 -7.662 4.563 1.00 0.00 C ATOM 154 O PRO A 13 4.774 -6.894 5.001 1.00 0.00 O ATOM 155 CB PRO A 13 5.613 -7.271 2.091 1.00 0.00 C ATOM 156 CG PRO A 13 4.589 -7.625 1.075 1.00 0.00 C ATOM 157 CD PRO A 13 3.432 -8.176 1.846 1.00 0.00 C ATOM 0 HA PRO A 13 6.180 -9.126 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.456 -6.263 2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.616 -7.298 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.293 -6.751 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.975 -8.360 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.729 -7.394 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.872 -8.909 1.265 1.00 0.00 H new ATOM 165 N PRO A 14 6.740 -7.974 5.268 1.00 0.00 N ATOM 166 CA PRO A 14 7.062 -7.321 6.533 1.00 0.00 C ATOM 167 C PRO A 14 7.064 -5.808 6.375 1.00 0.00 C ATOM 168 O PRO A 14 7.433 -5.299 5.311 1.00 0.00 O ATOM 169 CB PRO A 14 8.463 -7.840 6.888 1.00 0.00 C ATOM 170 CG PRO A 14 8.955 -8.564 5.679 1.00 0.00 C ATOM 171 CD PRO A 14 7.740 -8.984 4.901 1.00 0.00 C ATOM 0 HA PRO A 14 6.332 -7.541 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.129 -7.017 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.425 -8.504 7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.596 -7.920 5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.551 -9.431 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.931 -8.990 3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.416 -9.989 5.172 1.00 0.00 H new ATOM 179 N ASP A 15 6.665 -5.123 7.452 1.00 0.00 N ATOM 180 CA ASP A 15 6.367 -3.681 7.456 1.00 0.00 C ATOM 181 C ASP A 15 7.191 -2.894 6.447 1.00 0.00 C ATOM 182 O ASP A 15 8.387 -2.674 6.643 1.00 0.00 O ATOM 183 CB ASP A 15 6.611 -3.101 8.850 1.00 0.00 C ATOM 184 CG ASP A 15 5.689 -3.690 9.892 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.958 -4.816 10.363 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.690 -3.034 10.246 1.00 0.00 O ATOM 0 H ASP A 15 6.537 -5.561 8.364 1.00 0.00 H new ATOM 0 HA ASP A 15 5.319 -3.585 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.646 -3.284 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.475 -2.020 8.819 1.00 0.00 H new ATOM 191 N PRO A 16 6.554 -2.463 5.352 1.00 0.00 N ATOM 192 CA PRO A 16 7.196 -1.638 4.321 1.00 0.00 C ATOM 193 C PRO A 16 7.481 -0.228 4.819 1.00 0.00 C ATOM 194 O PRO A 16 6.735 0.326 5.628 1.00 0.00 O ATOM 195 CB PRO A 16 6.166 -1.617 3.175 1.00 0.00 C ATOM 196 CG PRO A 16 5.246 -2.742 3.493 1.00 0.00 C ATOM 197 CD PRO A 16 5.164 -2.763 4.989 1.00 0.00 C ATOM 0 HA PRO A 16 8.165 -2.037 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.634 -0.666 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.645 -1.756 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.264 -2.588 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.628 -3.686 3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.468 -2.018 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.838 -3.731 5.370 1.00 0.00 H new ATOM 205 N THR A 17 8.559 0.339 4.326 1.00 0.00 N ATOM 206 CA THR A 17 9.007 1.647 4.760 1.00 0.00 C ATOM 207 C THR A 17 8.813 2.674 3.669 1.00 0.00 C ATOM 208 O THR A 17 9.120 2.444 2.500 1.00 0.00 O ATOM 209 CB THR A 17 10.486 1.601 5.183 1.00 0.00 C ATOM 210 OG1 THR A 17 10.693 0.501 6.080 1.00 0.00 O ATOM 211 CG2 THR A 17 10.904 2.895 5.865 1.00 0.00 C ATOM 0 H THR A 17 9.150 -0.091 3.614 1.00 0.00 H new ATOM 0 HA THR A 17 8.404 1.938 5.620 1.00 0.00 H new ATOM 0 HB THR A 17 11.094 1.474 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.635 0.470 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.954 2.832 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.765 3.730 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.293 3.051 6.754 1.00 0.00 H new ATOM 219 N VAL A 18 8.250 3.788 4.073 1.00 0.00 N ATOM 220 CA VAL A 18 8.053 4.923 3.188 1.00 0.00 C ATOM 221 C VAL A 18 9.354 5.706 3.044 1.00 0.00 C ATOM 222 O VAL A 18 9.970 6.107 4.032 1.00 0.00 O ATOM 223 CB VAL A 18 6.928 5.839 3.707 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.770 7.075 2.823 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.627 5.055 3.797 1.00 0.00 C ATOM 0 H VAL A 18 7.914 3.938 5.024 1.00 0.00 H new ATOM 0 HA VAL A 18 7.756 4.548 2.209 1.00 0.00 H new ATOM 0 HB VAL A 18 7.194 6.189 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.969 7.702 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.702 7.639 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.526 6.767 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.834 5.707 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.359 4.679 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.754 4.217 4.482 1.00 0.00 H new ATOM 235 N ASP A 19 9.768 5.894 1.800 1.00 0.00 N ATOM 236 CA ASP A 19 11.049 6.513 1.492 1.00 0.00 C ATOM 237 C ASP A 19 10.943 8.033 1.517 1.00 0.00 C ATOM 238 O ASP A 19 11.706 8.705 2.208 1.00 0.00 O ATOM 239 CB ASP A 19 11.538 6.037 0.122 1.00 0.00 C ATOM 240 CG ASP A 19 12.929 6.534 -0.213 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.911 5.929 0.262 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.047 7.524 -0.962 1.00 0.00 O ATOM 0 H ASP A 19 9.228 5.623 0.978 1.00 0.00 H new ATOM 0 HA ASP A 19 11.769 6.215 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.532 4.947 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.842 6.377 -0.645 1.00 0.00 H new ATOM 247 N GLN A 20 9.981 8.569 0.779 1.00 0.00 N ATOM 248 CA GLN A 20 9.793 10.012 0.693 1.00 0.00 C ATOM 249 C GLN A 20 8.316 10.364 0.793 1.00 0.00 C ATOM 250 O GLN A 20 7.473 9.759 0.122 1.00 0.00 O ATOM 251 CB GLN A 20 10.380 10.550 -0.618 1.00 0.00 C ATOM 252 CG GLN A 20 11.899 10.480 -0.677 1.00 0.00 C ATOM 253 CD GLN A 20 12.457 10.751 -2.062 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.760 11.560 -2.840 1.00 0.00 O flip ATOM 255 NE2 GLN A 20 13.509 10.232 -2.431 1.00 0.00 N flip ATOM 0 H GLN A 20 9.316 8.025 0.229 1.00 0.00 H new ATOM 0 HA GLN A 20 10.317 10.478 1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.965 9.984 -1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.067 11.586 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.317 11.203 0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.224 9.493 -0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.020 9.612 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.871 10.421 -3.366 1.00 0.00 H new ATOM 264 N VAL A 21 8.013 11.336 1.641 1.00 0.00 N ATOM 265 CA VAL A 21 6.641 11.762 1.873 1.00 0.00 C ATOM 266 C VAL A 21 6.425 13.191 1.382 1.00 0.00 C ATOM 267 O VAL A 21 7.115 14.120 1.814 1.00 0.00 O ATOM 268 CB VAL A 21 6.269 11.674 3.371 1.00 0.00 C ATOM 269 CG1 VAL A 21 4.847 12.151 3.611 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.439 10.253 3.887 1.00 0.00 C ATOM 0 H VAL A 21 8.707 11.849 2.185 1.00 0.00 H new ATOM 0 HA VAL A 21 5.996 11.087 1.311 1.00 0.00 H new ATOM 0 HB VAL A 21 6.947 12.328 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.613 12.078 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.752 13.188 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.154 11.530 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.172 10.215 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.791 9.582 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.477 9.943 3.764 1.00 0.00 H new ATOM 280 N ASP A 22 5.473 13.361 0.473 1.00 0.00 N ATOM 281 CA ASP A 22 5.155 14.674 -0.077 1.00 0.00 C ATOM 282 C ASP A 22 3.679 14.996 0.123 1.00 0.00 C ATOM 283 O ASP A 22 3.018 14.418 0.986 1.00 0.00 O ATOM 284 CB ASP A 22 5.496 14.736 -1.572 1.00 0.00 C ATOM 285 CG ASP A 22 6.976 14.593 -1.849 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.728 15.552 -1.589 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.394 13.524 -2.343 1.00 0.00 O ATOM 0 H ASP A 22 4.904 12.601 0.099 1.00 0.00 H new ATOM 0 HA ASP A 22 5.757 15.412 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.957 13.946 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.146 15.685 -1.979 1.00 0.00 H new ATOM 292 N ASP A 23 3.182 15.942 -0.665 1.00 0.00 N ATOM 293 CA ASP A 23 1.784 16.353 -0.622 1.00 0.00 C ATOM 294 C ASP A 23 0.858 15.309 -1.243 1.00 0.00 C ATOM 295 O ASP A 23 0.186 14.561 -0.540 1.00 0.00 O ATOM 296 CB ASP A 23 1.626 17.691 -1.355 1.00 0.00 C ATOM 297 CG ASP A 23 2.384 17.729 -2.672 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.605 17.976 -2.646 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.769 17.496 -3.734 1.00 0.00 O ATOM 0 H ASP A 23 3.739 16.447 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 23 1.498 16.460 0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.568 17.875 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.980 18.497 -0.713 1.00 0.00 H new ATOM 304 N THR A 24 0.842 15.275 -2.563 1.00 0.00 N ATOM 305 CA THR A 24 -0.055 14.428 -3.323 1.00 0.00 C ATOM 306 C THR A 24 0.713 13.242 -3.901 1.00 0.00 C ATOM 307 O THR A 24 0.414 12.754 -4.988 1.00 0.00 O ATOM 308 CB THR A 24 -0.699 15.256 -4.450 1.00 0.00 C ATOM 309 OG1 THR A 24 0.321 15.835 -5.277 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.548 16.371 -3.858 1.00 0.00 C ATOM 0 H THR A 24 1.460 15.842 -3.143 1.00 0.00 H new ATOM 0 HA THR A 24 -0.839 14.043 -2.670 1.00 0.00 H new ATOM 0 HB THR A 24 -1.327 14.597 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.676 16.639 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.999 16.951 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.333 15.940 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.921 17.022 -3.249 1.00 0.00 H new ATOM 318 N SER A 25 1.691 12.776 -3.134 1.00 0.00 N ATOM 319 CA SER A 25 2.636 11.749 -3.571 1.00 0.00 C ATOM 320 C SER A 25 3.434 11.231 -2.378 1.00 0.00 C ATOM 321 O SER A 25 3.952 12.013 -1.584 1.00 0.00 O ATOM 322 CB SER A 25 3.603 12.293 -4.634 1.00 0.00 C ATOM 323 OG SER A 25 2.927 12.630 -5.834 1.00 0.00 O ATOM 0 H SER A 25 1.854 13.102 -2.181 1.00 0.00 H new ATOM 0 HA SER A 25 2.061 10.935 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.114 13.173 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.369 11.547 -4.845 1.00 0.00 H new ATOM 0 HG SER A 25 1.988 12.356 -5.769 1.00 0.00 H new ATOM 329 N ILE A 26 3.508 9.916 -2.248 1.00 0.00 N ATOM 330 CA ILE A 26 4.286 9.273 -1.179 1.00 0.00 C ATOM 331 C ILE A 26 4.806 7.934 -1.689 1.00 0.00 C ATOM 332 O ILE A 26 4.151 7.313 -2.498 1.00 0.00 O ATOM 333 CB ILE A 26 3.435 9.055 0.105 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.234 10.366 0.870 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.069 8.019 1.012 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.408 10.212 2.132 1.00 0.00 C ATOM 0 H ILE A 26 3.037 9.260 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 26 5.115 9.929 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 26 2.459 8.689 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.209 10.777 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.749 11.089 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.452 7.888 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.147 7.070 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.064 8.353 1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.307 11.181 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.420 9.830 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.902 9.514 2.808 1.00 0.00 H new ATOM 348 N VAL A 27 5.966 7.475 -1.243 1.00 0.00 N ATOM 349 CA VAL A 27 6.508 6.240 -1.782 1.00 0.00 C ATOM 350 C VAL A 27 6.722 5.223 -0.687 1.00 0.00 C ATOM 351 O VAL A 27 7.351 5.525 0.321 1.00 0.00 O ATOM 352 CB VAL A 27 7.848 6.460 -2.485 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.311 5.154 -3.107 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.743 7.554 -3.531 1.00 0.00 C ATOM 0 H VAL A 27 6.537 7.926 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 27 5.777 5.877 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 27 8.585 6.785 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.266 5.308 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.428 4.401 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.571 4.814 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.710 7.689 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.000 7.274 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.443 8.487 -3.053 1.00 0.00 H new ATOM 364 N VAL A 28 6.238 4.012 -0.890 1.00 0.00 N ATOM 365 CA VAL A 28 6.396 2.984 0.117 1.00 0.00 C ATOM 366 C VAL A 28 7.091 1.770 -0.484 1.00 0.00 C ATOM 367 O VAL A 28 6.905 1.470 -1.659 1.00 0.00 O ATOM 368 CB VAL A 28 5.045 2.582 0.758 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.006 3.665 0.599 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.539 1.260 0.228 1.00 0.00 C ATOM 0 H VAL A 28 5.739 3.720 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 28 7.016 3.393 0.915 1.00 0.00 H new ATOM 0 HB VAL A 28 5.230 2.456 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.073 3.345 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.355 4.578 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.839 3.856 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.589 1.017 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.396 1.331 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.266 0.478 0.447 1.00 0.00 H new ATOM 380 N ARG A 29 7.898 1.093 0.321 1.00 0.00 N ATOM 381 CA ARG A 29 8.713 -0.027 -0.148 1.00 0.00 C ATOM 382 C ARG A 29 8.523 -1.237 0.747 1.00 0.00 C ATOM 383 O ARG A 29 8.819 -1.185 1.937 1.00 0.00 O ATOM 384 CB ARG A 29 10.196 0.371 -0.156 1.00 0.00 C ATOM 385 CG ARG A 29 10.482 1.675 -0.884 1.00 0.00 C ATOM 386 CD ARG A 29 11.921 2.125 -0.687 1.00 0.00 C ATOM 387 NE ARG A 29 12.883 1.157 -1.215 1.00 0.00 N ATOM 388 CZ ARG A 29 13.818 1.453 -2.118 1.00 0.00 C ATOM 389 NH1 ARG A 29 13.889 2.673 -2.638 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.680 0.524 -2.513 1.00 0.00 N ATOM 0 H ARG A 29 8.008 1.301 1.314 1.00 0.00 H new ATOM 0 HA ARG A 29 8.397 -0.281 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.544 0.457 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.774 -0.428 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.283 1.549 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.806 2.450 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.069 3.086 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.109 2.278 0.376 1.00 0.00 H new ATOM 0 HE ARG A 29 12.835 0.198 -0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.225 3.391 -2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.607 2.892 -3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.628 -0.418 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.395 0.752 -3.204 1.00 0.00 H new ATOM 404 N TRP A 30 8.074 -2.329 0.155 1.00 0.00 N ATOM 405 CA TRP A 30 7.740 -3.538 0.904 1.00 0.00 C ATOM 406 C TRP A 30 8.663 -4.698 0.541 1.00 0.00 C ATOM 407 O TRP A 30 9.106 -4.825 -0.600 1.00 0.00 O ATOM 408 CB TRP A 30 6.270 -3.936 0.672 1.00 0.00 C ATOM 409 CG TRP A 30 5.901 -4.120 -0.760 1.00 0.00 C ATOM 410 CD1 TRP A 30 6.072 -5.236 -1.501 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.255 -3.173 -1.605 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.626 -5.031 -2.777 1.00 0.00 N ATOM 413 CE2 TRP A 30 5.103 -3.776 -2.863 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.805 -1.872 -1.426 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.511 -3.124 -3.933 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.211 -1.229 -2.487 1.00 0.00 C ATOM 417 CH2 TRP A 30 4.069 -1.852 -3.723 1.00 0.00 C ATOM 0 H TRP A 30 7.930 -2.408 -0.852 1.00 0.00 H new ATOM 0 HA TRP A 30 7.882 -3.314 1.961 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.068 -4.863 1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.626 -3.170 1.105 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.500 -6.159 -1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.677 -5.707 -3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.919 -1.375 -0.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.404 -3.604 -4.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.847 -0.220 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.598 -1.316 -4.534 1.00 0.00 H new ATOM 428 N SER A 31 8.946 -5.541 1.526 1.00 0.00 N ATOM 429 CA SER A 31 9.770 -6.718 1.315 1.00 0.00 C ATOM 430 C SER A 31 8.880 -7.920 1.018 1.00 0.00 C ATOM 431 O SER A 31 8.334 -8.537 1.928 1.00 0.00 O ATOM 432 CB SER A 31 10.637 -6.981 2.550 1.00 0.00 C ATOM 433 OG SER A 31 11.556 -8.038 2.327 1.00 0.00 O ATOM 0 H SER A 31 8.613 -5.428 2.484 1.00 0.00 H new ATOM 0 HA SER A 31 10.429 -6.550 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.181 -6.074 2.813 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.998 -7.226 3.398 1.00 0.00 H new ATOM 0 HG SER A 31 12.094 -8.179 3.134 1.00 0.00 H new ATOM 439 N ARG A 32 8.734 -8.220 -0.269 1.00 0.00 N ATOM 440 CA ARG A 32 7.846 -9.275 -0.762 1.00 0.00 C ATOM 441 C ARG A 32 7.985 -10.596 0.015 1.00 0.00 C ATOM 442 O ARG A 32 9.035 -10.892 0.590 1.00 0.00 O ATOM 443 CB ARG A 32 8.123 -9.527 -2.245 1.00 0.00 C ATOM 444 CG ARG A 32 8.227 -8.262 -3.081 1.00 0.00 C ATOM 445 CD ARG A 32 9.631 -7.677 -3.071 1.00 0.00 C ATOM 446 NE ARG A 32 10.063 -7.283 -4.413 1.00 0.00 N ATOM 447 CZ ARG A 32 11.338 -7.131 -4.773 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.311 -7.306 -3.888 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.638 -6.801 -6.021 1.00 0.00 N ATOM 0 H ARG A 32 9.235 -7.732 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 32 6.825 -8.923 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.052 -10.089 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.328 -10.153 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.935 -8.483 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.524 -7.520 -2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.659 -6.810 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.328 -8.410 -2.665 1.00 0.00 H new ATOM 0 HE ARG A 32 9.344 -7.114 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.086 -7.558 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.284 -7.188 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.894 -6.664 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.613 -6.684 -6.297 1.00 0.00 H new ATOM 463 N PRO A 33 6.917 -11.420 -0.006 1.00 0.00 N ATOM 464 CA PRO A 33 6.808 -12.658 0.763 1.00 0.00 C ATOM 465 C PRO A 33 7.455 -13.842 0.061 1.00 0.00 C ATOM 466 O PRO A 33 7.763 -13.788 -1.133 1.00 0.00 O ATOM 467 CB PRO A 33 5.282 -12.896 0.835 1.00 0.00 C ATOM 468 CG PRO A 33 4.650 -11.765 0.088 1.00 0.00 C ATOM 469 CD PRO A 33 5.717 -11.227 -0.805 1.00 0.00 C ATOM 0 HA PRO A 33 7.307 -12.571 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.016 -13.854 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.940 -12.919 1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.792 -12.108 -0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.288 -10.998 0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.767 -11.767 -1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.554 -10.177 -1.046 1.00 0.00 H new ATOM 477 N GLN A 34 7.645 -14.912 0.817 1.00 0.00 N ATOM 478 CA GLN A 34 8.066 -16.185 0.262 1.00 0.00 C ATOM 479 C GLN A 34 6.873 -16.849 -0.414 1.00 0.00 C ATOM 480 O GLN A 34 7.025 -17.705 -1.286 1.00 0.00 O ATOM 481 CB GLN A 34 8.617 -17.079 1.369 1.00 0.00 C ATOM 482 CG GLN A 34 9.038 -18.461 0.904 1.00 0.00 C ATOM 483 CD GLN A 34 9.405 -19.367 2.060 1.00 0.00 C ATOM 484 OE1 GLN A 34 8.861 -19.242 3.157 1.00 0.00 O ATOM 485 NE2 GLN A 34 10.336 -20.277 1.827 1.00 0.00 N ATOM 0 H GLN A 34 7.512 -14.921 1.828 1.00 0.00 H new ATOM 0 HA GLN A 34 8.854 -16.025 -0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.475 -16.585 1.826 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.859 -17.185 2.145 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.227 -18.913 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.890 -18.372 0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.761 -20.346 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.629 -20.909 2.572 1.00 0.00 H new ATOM 494 N ALA A 35 5.682 -16.430 0.009 1.00 0.00 N ATOM 495 CA ALA A 35 4.432 -16.897 -0.568 1.00 0.00 C ATOM 496 C ALA A 35 4.392 -16.679 -2.069 1.00 0.00 C ATOM 497 O ALA A 35 4.751 -15.602 -2.550 1.00 0.00 O ATOM 498 CB ALA A 35 3.268 -16.154 0.060 1.00 0.00 C ATOM 0 H ALA A 35 5.561 -15.755 0.764 1.00 0.00 H new ATOM 0 HA ALA A 35 4.358 -17.966 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.333 -16.507 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.259 -16.334 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.375 -15.086 -0.128 1.00 0.00 H new ATOM 504 N PRO A 36 3.982 -17.695 -2.836 1.00 0.00 N ATOM 505 CA PRO A 36 3.685 -17.511 -4.250 1.00 0.00 C ATOM 506 C PRO A 36 2.539 -16.523 -4.421 1.00 0.00 C ATOM 507 O PRO A 36 1.420 -16.761 -3.963 1.00 0.00 O ATOM 508 CB PRO A 36 3.282 -18.911 -4.730 1.00 0.00 C ATOM 509 CG PRO A 36 3.829 -19.845 -3.703 1.00 0.00 C ATOM 510 CD PRO A 36 3.797 -19.089 -2.405 1.00 0.00 C ATOM 0 HA PRO A 36 4.525 -17.107 -4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.199 -19.004 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.694 -19.124 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.230 -20.753 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.845 -20.150 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.852 -19.228 -1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.589 -19.412 -1.729 1.00 0.00 H new ATOM 518 N ILE A 37 2.839 -15.405 -5.050 1.00 0.00 N ATOM 519 CA ILE A 37 1.876 -14.337 -5.250 1.00 0.00 C ATOM 520 C ILE A 37 1.824 -13.983 -6.742 1.00 0.00 C ATOM 521 O ILE A 37 2.821 -14.132 -7.449 1.00 0.00 O ATOM 522 CB ILE A 37 2.275 -13.088 -4.415 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.644 -12.587 -4.884 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.283 -13.387 -2.903 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.427 -11.848 -3.829 1.00 0.00 C ATOM 0 H ILE A 37 3.761 -15.209 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 37 0.892 -14.669 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 37 1.529 -12.310 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.232 -13.438 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.503 -11.930 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.567 -12.488 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.288 -13.704 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.000 -14.181 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.383 -11.528 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.863 -10.975 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.602 -12.506 -2.978 1.00 0.00 H new ATOM 537 N THR A 38 0.660 -13.557 -7.225 1.00 0.00 N ATOM 538 CA THR A 38 0.484 -13.217 -8.632 1.00 0.00 C ATOM 539 C THR A 38 0.593 -11.715 -8.893 1.00 0.00 C ATOM 540 O THR A 38 0.984 -11.299 -9.985 1.00 0.00 O ATOM 541 CB THR A 38 -0.864 -13.728 -9.168 1.00 0.00 C ATOM 542 OG1 THR A 38 -1.918 -13.375 -8.268 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.832 -15.227 -9.365 1.00 0.00 C ATOM 0 H THR A 38 -0.180 -13.439 -6.658 1.00 0.00 H new ATOM 0 HA THR A 38 1.297 -13.713 -9.162 1.00 0.00 H new ATOM 0 HB THR A 38 -1.047 -13.258 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.772 -13.704 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.796 -15.565 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.051 -15.483 -10.080 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.626 -15.715 -8.412 1.00 0.00 H new ATOM 551 N GLY A 39 0.243 -10.900 -7.907 1.00 0.00 N ATOM 552 CA GLY A 39 0.318 -9.470 -8.082 1.00 0.00 C ATOM 553 C GLY A 39 0.286 -8.744 -6.764 1.00 0.00 C ATOM 554 O GLY A 39 0.442 -9.369 -5.723 1.00 0.00 O ATOM 0 H GLY A 39 -0.090 -11.206 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.235 -9.216 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.514 -9.135 -8.702 1.00 0.00 H new ATOM 558 N TYR A 40 0.079 -7.436 -6.808 1.00 0.00 N ATOM 559 CA TYR A 40 -0.120 -6.635 -5.606 1.00 0.00 C ATOM 560 C TYR A 40 -1.211 -5.609 -5.815 1.00 0.00 C ATOM 561 O TYR A 40 -1.230 -4.908 -6.828 1.00 0.00 O ATOM 562 CB TYR A 40 1.147 -5.882 -5.205 1.00 0.00 C ATOM 563 CG TYR A 40 2.100 -6.675 -4.349 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.556 -7.915 -4.752 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.550 -6.177 -3.137 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.433 -8.636 -3.983 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.431 -6.894 -2.364 1.00 0.00 C ATOM 568 CZ TYR A 40 3.873 -8.118 -2.793 1.00 0.00 C ATOM 569 OH TYR A 40 4.761 -8.824 -2.034 1.00 0.00 O ATOM 0 H TYR A 40 0.044 -6.900 -7.675 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.395 -7.336 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.668 -5.565 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.862 -4.977 -4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.215 -8.325 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.204 -5.213 -2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.775 -9.606 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.774 -6.494 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 40 5.426 -9.247 -2.617 1.00 0.00 H new ATOM 579 N ARG A 41 -2.118 -5.525 -4.863 1.00 0.00 N ATOM 580 CA ARG A 41 -3.048 -4.414 -4.815 1.00 0.00 C ATOM 581 C ARG A 41 -2.584 -3.453 -3.753 1.00 0.00 C ATOM 582 O ARG A 41 -1.941 -3.857 -2.805 1.00 0.00 O ATOM 583 CB ARG A 41 -4.441 -4.879 -4.472 1.00 0.00 C ATOM 584 CG ARG A 41 -4.782 -6.215 -5.097 1.00 0.00 C ATOM 585 CD ARG A 41 -4.968 -6.111 -6.604 1.00 0.00 C ATOM 586 NE ARG A 41 -6.031 -5.173 -6.971 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.609 -5.130 -8.172 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.258 -6.003 -9.112 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.541 -4.221 -8.431 1.00 0.00 N ATOM 0 H ARG A 41 -2.231 -6.209 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.076 -3.938 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.538 -4.954 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.161 -4.132 -4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.989 -6.930 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.695 -6.604 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.032 -5.792 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.201 -7.096 -7.008 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.349 -4.511 -6.263 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.546 -6.706 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.701 -5.969 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.816 -3.553 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.982 -4.190 -9.350 1.00 0.00 H new ATOM 603 N ILE A 42 -2.859 -2.188 -3.920 1.00 0.00 N ATOM 604 CA ILE A 42 -2.421 -1.212 -2.935 1.00 0.00 C ATOM 605 C ILE A 42 -3.485 -0.178 -2.654 1.00 0.00 C ATOM 606 O ILE A 42 -3.692 0.716 -3.453 1.00 0.00 O ATOM 607 CB ILE A 42 -1.144 -0.504 -3.418 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.122 -1.540 -3.862 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.571 0.377 -2.316 1.00 0.00 C ATOM 610 CD1 ILE A 42 1.026 -0.966 -4.642 1.00 0.00 C ATOM 0 H ILE A 42 -3.375 -1.804 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.220 -1.755 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.391 0.135 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.269 -2.051 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.623 -2.292 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.332 0.870 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.307 1.130 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.328 -0.237 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.711 -1.766 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.648 -0.480 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.553 -0.235 -4.029 1.00 0.00 H new ATOM 622 N VAL A 43 -4.104 -0.252 -1.487 1.00 0.00 N ATOM 623 CA VAL A 43 -5.160 0.691 -1.150 1.00 0.00 C ATOM 624 C VAL A 43 -4.691 1.654 -0.082 1.00 0.00 C ATOM 625 O VAL A 43 -4.488 1.282 1.069 1.00 0.00 O ATOM 626 CB VAL A 43 -6.456 0.000 -0.675 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.475 1.028 -0.230 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.036 -0.867 -1.776 1.00 0.00 C ATOM 0 H VAL A 43 -3.899 -0.944 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.390 1.230 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.208 -0.637 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.382 0.522 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.065 1.614 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.712 1.689 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.949 -1.345 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.265 -0.248 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.312 -1.632 -2.056 1.00 0.00 H new ATOM 638 N TYR A 44 -4.516 2.891 -0.479 1.00 0.00 N ATOM 639 CA TYR A 44 -4.122 3.931 0.431 1.00 0.00 C ATOM 640 C TYR A 44 -5.239 4.925 0.586 1.00 0.00 C ATOM 641 O TYR A 44 -5.796 5.435 -0.398 1.00 0.00 O ATOM 642 CB TYR A 44 -2.815 4.598 -0.010 1.00 0.00 C ATOM 643 CG TYR A 44 -2.667 4.787 -1.503 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.399 3.704 -2.329 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.769 6.044 -2.081 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.241 3.858 -3.686 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.605 6.214 -3.439 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.341 5.123 -4.239 1.00 0.00 C ATOM 649 OH TYR A 44 -2.168 5.305 -5.588 1.00 0.00 O ATOM 0 H TYR A 44 -4.643 3.202 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.926 3.486 1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.740 5.572 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.979 3.998 0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.313 2.718 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.980 6.901 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.041 3.002 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.683 7.199 -3.875 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.273 6.255 -5.806 1.00 0.00 H new ATOM 659 N SER A 45 -5.593 5.135 1.837 1.00 0.00 N ATOM 660 CA SER A 45 -6.717 5.978 2.194 1.00 0.00 C ATOM 661 C SER A 45 -6.402 6.807 3.438 1.00 0.00 C ATOM 662 O SER A 45 -5.789 6.315 4.383 1.00 0.00 O ATOM 663 CB SER A 45 -7.947 5.106 2.449 1.00 0.00 C ATOM 664 OG SER A 45 -8.119 4.153 1.410 1.00 0.00 O ATOM 0 H SER A 45 -5.109 4.726 2.636 1.00 0.00 H new ATOM 0 HA SER A 45 -6.916 6.662 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.841 4.592 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.834 5.735 2.521 1.00 0.00 H new ATOM 0 HG SER A 45 -8.911 3.606 1.596 1.00 0.00 H new ATOM 670 N PRO A 46 -6.807 8.083 3.432 1.00 0.00 N ATOM 671 CA PRO A 46 -6.671 8.979 4.589 1.00 0.00 C ATOM 672 C PRO A 46 -7.648 8.616 5.703 1.00 0.00 C ATOM 673 O PRO A 46 -8.779 8.202 5.444 1.00 0.00 O ATOM 674 CB PRO A 46 -7.018 10.346 4.005 1.00 0.00 C ATOM 675 CG PRO A 46 -7.918 10.048 2.862 1.00 0.00 C ATOM 676 CD PRO A 46 -7.438 8.754 2.285 1.00 0.00 C ATOM 0 HA PRO A 46 -5.681 8.930 5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.511 10.979 4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.123 10.876 3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.954 9.968 3.192 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.881 10.844 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.260 8.166 1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.729 8.915 1.473 1.00 0.00 H new ATOM 744 N SER A 52 -8.538 8.418 -1.944 1.00 0.00 N ATOM 745 CA SER A 52 -8.059 7.057 -1.733 1.00 0.00 C ATOM 746 C SER A 52 -7.806 6.406 -3.079 1.00 0.00 C ATOM 747 O SER A 52 -8.504 6.699 -4.050 1.00 0.00 O ATOM 748 CB SER A 52 -9.083 6.231 -0.955 1.00 0.00 C ATOM 749 OG SER A 52 -9.433 6.866 0.262 1.00 0.00 O ATOM 0 HA SER A 52 -7.137 7.097 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.976 6.087 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.675 5.242 -0.748 1.00 0.00 H new ATOM 0 HG SER A 52 -9.463 7.836 0.128 1.00 0.00 H new ATOM 755 N THR A 53 -6.802 5.553 -3.162 1.00 0.00 N ATOM 756 CA THR A 53 -6.492 4.911 -4.433 1.00 0.00 C ATOM 757 C THR A 53 -5.924 3.504 -4.244 1.00 0.00 C ATOM 758 O THR A 53 -5.269 3.223 -3.242 1.00 0.00 O ATOM 759 CB THR A 53 -5.508 5.782 -5.245 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.083 7.075 -5.474 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.163 5.141 -6.581 1.00 0.00 C ATOM 0 H THR A 53 -6.196 5.290 -2.384 1.00 0.00 H new ATOM 0 HA THR A 53 -7.427 4.812 -4.985 1.00 0.00 H new ATOM 0 HB THR A 53 -4.590 5.876 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.456 7.626 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.469 5.782 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.700 4.169 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.072 5.012 -7.168 1.00 0.00 H new ATOM 769 N GLU A 54 -6.220 2.623 -5.200 1.00 0.00 N ATOM 770 CA GLU A 54 -5.614 1.311 -5.267 1.00 0.00 C ATOM 771 C GLU A 54 -4.710 1.212 -6.492 1.00 0.00 C ATOM 772 O GLU A 54 -5.179 1.346 -7.626 1.00 0.00 O ATOM 773 CB GLU A 54 -6.678 0.215 -5.344 1.00 0.00 C ATOM 774 CG GLU A 54 -6.087 -1.184 -5.454 1.00 0.00 C ATOM 775 CD GLU A 54 -7.104 -2.221 -5.873 1.00 0.00 C ATOM 776 OE1 GLU A 54 -7.829 -1.983 -6.860 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.178 -3.286 -5.229 1.00 0.00 O ATOM 0 H GLU A 54 -6.889 2.808 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.027 1.170 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.310 0.267 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.320 0.400 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.270 -1.172 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.660 -1.469 -4.493 1.00 0.00 H new ATOM 784 N LEU A 55 -3.423 0.988 -6.273 1.00 0.00 N ATOM 785 CA LEU A 55 -2.513 0.733 -7.379 1.00 0.00 C ATOM 786 C LEU A 55 -2.316 -0.759 -7.539 1.00 0.00 C ATOM 787 O LEU A 55 -2.623 -1.533 -6.634 1.00 0.00 O ATOM 788 CB LEU A 55 -1.163 1.466 -7.220 1.00 0.00 C ATOM 789 CG LEU A 55 -1.274 2.988 -7.295 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.083 3.631 -7.511 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.240 3.415 -8.392 1.00 0.00 C ATOM 0 H LEU A 55 -2.989 0.977 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.966 1.135 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.721 1.190 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.480 1.122 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.666 3.331 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.031 4.714 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.744 3.373 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.513 3.269 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.299 4.503 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.885 3.044 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.228 3.004 -8.187 1.00 0.00 H new ATOM 803 N ASN A 56 -1.858 -1.161 -8.705 1.00 0.00 N ATOM 804 CA ASN A 56 -1.636 -2.564 -8.991 1.00 0.00 C ATOM 805 C ASN A 56 -0.205 -2.774 -9.440 1.00 0.00 C ATOM 806 O ASN A 56 0.199 -2.297 -10.503 1.00 0.00 O ATOM 807 CB ASN A 56 -2.597 -3.056 -10.071 1.00 0.00 C ATOM 808 CG ASN A 56 -2.456 -4.541 -10.330 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.635 -4.968 -11.137 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.266 -5.336 -9.654 1.00 0.00 N ATOM 0 H ASN A 56 -1.631 -0.532 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.819 -3.136 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.622 -2.837 -9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.413 -2.509 -10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.223 -6.346 -9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.934 -4.940 -8.993 1.00 0.00 H new ATOM 817 N LEU A 57 0.558 -3.486 -8.637 1.00 0.00 N ATOM 818 CA LEU A 57 1.957 -3.702 -8.927 1.00 0.00 C ATOM 819 C LEU A 57 2.178 -5.165 -9.233 1.00 0.00 C ATOM 820 O LEU A 57 1.354 -6.006 -8.887 1.00 0.00 O ATOM 821 CB LEU A 57 2.849 -3.250 -7.755 1.00 0.00 C ATOM 822 CG LEU A 57 2.934 -1.745 -7.513 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.289 -1.383 -6.952 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.668 -0.960 -8.776 1.00 0.00 C ATOM 0 H LEU A 57 0.230 -3.925 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 57 2.234 -3.102 -9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.483 -3.723 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.857 -3.627 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 57 2.162 -1.482 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.337 -0.307 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.443 -1.905 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.065 -1.675 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.738 0.107 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.405 -1.228 -9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.669 -1.192 -9.145 1.00 0.00 H new ATOM 836 N PRO A 58 3.255 -5.484 -9.940 1.00 0.00 N ATOM 837 CA PRO A 58 3.620 -6.864 -10.194 1.00 0.00 C ATOM 838 C PRO A 58 4.003 -7.584 -8.907 1.00 0.00 C ATOM 839 O PRO A 58 4.477 -6.971 -7.951 1.00 0.00 O ATOM 840 CB PRO A 58 4.815 -6.770 -11.148 1.00 0.00 C ATOM 841 CG PRO A 58 5.325 -5.374 -11.030 1.00 0.00 C ATOM 842 CD PRO A 58 4.173 -4.525 -10.572 1.00 0.00 C ATOM 0 HA PRO A 58 2.794 -7.437 -10.615 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.587 -7.491 -10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.515 -6.991 -12.172 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.149 -5.323 -10.318 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.708 -5.021 -11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.497 -3.759 -9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.699 -4.010 -11.408 1.00 0.00 H new ATOM 850 N GLU A 59 3.752 -8.885 -8.900 1.00 0.00 N ATOM 851 CA GLU A 59 4.110 -9.788 -7.796 1.00 0.00 C ATOM 852 C GLU A 59 5.526 -9.549 -7.268 1.00 0.00 C ATOM 853 O GLU A 59 5.813 -9.793 -6.098 1.00 0.00 O ATOM 854 CB GLU A 59 4.006 -11.235 -8.283 1.00 0.00 C ATOM 855 CG GLU A 59 4.785 -11.485 -9.566 1.00 0.00 C ATOM 856 CD GLU A 59 4.875 -12.949 -9.930 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.937 -13.471 -10.567 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.898 -13.582 -9.598 1.00 0.00 O ATOM 0 H GLU A 59 3.285 -9.360 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 59 3.417 -9.590 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.375 -11.903 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.957 -11.484 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.311 -10.942 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.792 -11.081 -9.457 1.00 0.00 H new ATOM 865 N THR A 60 6.397 -9.075 -8.138 1.00 0.00 N ATOM 866 CA THR A 60 7.802 -8.905 -7.807 1.00 0.00 C ATOM 867 C THR A 60 8.151 -7.426 -7.587 1.00 0.00 C ATOM 868 O THR A 60 9.323 -7.046 -7.536 1.00 0.00 O ATOM 869 CB THR A 60 8.694 -9.525 -8.910 1.00 0.00 C ATOM 870 OG1 THR A 60 10.083 -9.379 -8.590 1.00 0.00 O ATOM 871 CG2 THR A 60 8.404 -8.895 -10.264 1.00 0.00 C ATOM 0 H THR A 60 6.154 -8.798 -9.089 1.00 0.00 H new ATOM 0 HA THR A 60 7.994 -9.429 -6.871 1.00 0.00 H new ATOM 0 HB THR A 60 8.459 -10.588 -8.963 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.235 -8.498 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.044 -9.348 -11.021 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.359 -9.060 -10.526 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.601 -7.824 -10.217 1.00 0.00 H new ATOM 879 N ALA A 61 7.132 -6.592 -7.431 1.00 0.00 N ATOM 880 CA ALA A 61 7.348 -5.183 -7.135 1.00 0.00 C ATOM 881 C ALA A 61 7.645 -5.014 -5.659 1.00 0.00 C ATOM 882 O ALA A 61 7.309 -5.887 -4.860 1.00 0.00 O ATOM 883 CB ALA A 61 6.136 -4.357 -7.520 1.00 0.00 C ATOM 0 H ALA A 61 6.152 -6.865 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 61 8.198 -4.831 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.322 -3.308 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.946 -4.465 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.267 -4.703 -6.960 1.00 0.00 H new ATOM 889 N ASN A 62 8.274 -3.913 -5.293 1.00 0.00 N ATOM 890 CA ASN A 62 8.640 -3.697 -3.904 1.00 0.00 C ATOM 891 C ASN A 62 8.471 -2.244 -3.491 1.00 0.00 C ATOM 892 O ASN A 62 9.018 -1.831 -2.475 1.00 0.00 O ATOM 893 CB ASN A 62 10.088 -4.127 -3.652 1.00 0.00 C ATOM 894 CG ASN A 62 11.109 -3.239 -4.349 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.845 -2.663 -5.405 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.290 -3.128 -3.765 1.00 0.00 N ATOM 0 H ASN A 62 8.540 -3.161 -5.929 1.00 0.00 H new ATOM 0 HA ASN A 62 7.966 -4.306 -3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.281 -4.118 -2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.219 -5.155 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.016 -2.551 -4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.475 -3.619 -2.890 1.00 0.00 H new ATOM 903 N SER A 63 7.720 -1.467 -4.258 1.00 0.00 N ATOM 904 CA SER A 63 7.530 -0.067 -3.919 1.00 0.00 C ATOM 905 C SER A 63 6.471 0.593 -4.801 1.00 0.00 C ATOM 906 O SER A 63 6.482 0.433 -6.019 1.00 0.00 O ATOM 907 CB SER A 63 8.860 0.679 -4.064 1.00 0.00 C ATOM 908 OG SER A 63 9.464 0.409 -5.320 1.00 0.00 O ATOM 0 H SER A 63 7.241 -1.776 -5.104 1.00 0.00 H new ATOM 0 HA SER A 63 7.181 -0.016 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.692 1.751 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.536 0.383 -3.261 1.00 0.00 H new ATOM 0 HG SER A 63 8.768 0.314 -6.004 1.00 0.00 H new ATOM 914 N VAL A 64 5.570 1.344 -4.179 1.00 0.00 N ATOM 915 CA VAL A 64 4.556 2.089 -4.919 1.00 0.00 C ATOM 916 C VAL A 64 4.730 3.587 -4.698 1.00 0.00 C ATOM 917 O VAL A 64 4.995 4.035 -3.570 1.00 0.00 O ATOM 918 CB VAL A 64 3.106 1.698 -4.529 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.898 1.769 -3.042 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.115 2.577 -5.234 1.00 0.00 C ATOM 0 H VAL A 64 5.520 1.454 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 64 4.702 1.833 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 64 2.948 0.666 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.872 1.489 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.585 1.084 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.086 2.786 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.104 2.288 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.288 3.616 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.233 2.466 -6.312 1.00 0.00 H new ATOM 930 N THR A 65 4.622 4.343 -5.785 1.00 0.00 N ATOM 931 CA THR A 65 4.502 5.771 -5.714 1.00 0.00 C ATOM 932 C THR A 65 3.024 6.159 -5.761 1.00 0.00 C ATOM 933 O THR A 65 2.386 6.139 -6.816 1.00 0.00 O ATOM 934 CB THR A 65 5.264 6.411 -6.879 1.00 0.00 C ATOM 935 OG1 THR A 65 6.678 6.244 -6.686 1.00 0.00 O ATOM 936 CG2 THR A 65 4.927 7.891 -7.029 1.00 0.00 C ATOM 0 H THR A 65 4.616 3.970 -6.735 1.00 0.00 H new ATOM 0 HA THR A 65 4.931 6.131 -4.779 1.00 0.00 H new ATOM 0 HB THR A 65 4.958 5.908 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.161 6.653 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.487 8.309 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.859 8.004 -7.215 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.194 8.419 -6.114 1.00 0.00 H new ATOM 944 N LEU A 66 2.494 6.464 -4.596 1.00 0.00 N ATOM 945 CA LEU A 66 1.117 6.884 -4.436 1.00 0.00 C ATOM 946 C LEU A 66 0.980 8.332 -4.841 1.00 0.00 C ATOM 947 O LEU A 66 1.877 9.141 -4.568 1.00 0.00 O ATOM 948 CB LEU A 66 0.687 6.762 -2.986 1.00 0.00 C ATOM 949 CG LEU A 66 1.481 5.781 -2.145 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.342 6.128 -0.693 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.997 4.373 -2.410 1.00 0.00 C ATOM 0 H LEU A 66 3.015 6.427 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 66 0.492 6.246 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.753 7.746 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.362 6.468 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 66 2.536 5.840 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.914 5.420 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.719 7.136 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.291 6.080 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.570 3.671 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.059 4.297 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.131 4.135 -3.465 1.00 0.00 H new ATOM 963 N SER A 67 -0.149 8.663 -5.437 1.00 0.00 N ATOM 964 CA SER A 67 -0.377 9.998 -5.942 1.00 0.00 C ATOM 965 C SER A 67 -1.819 10.404 -5.658 1.00 0.00 C ATOM 966 O SER A 67 -2.621 9.569 -5.233 1.00 0.00 O ATOM 967 CB SER A 67 -0.073 10.043 -7.445 1.00 0.00 C ATOM 968 OG SER A 67 -0.056 11.374 -7.932 1.00 0.00 O ATOM 0 H SER A 67 -0.926 8.019 -5.583 1.00 0.00 H new ATOM 0 HA SER A 67 0.286 10.704 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.891 9.572 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.823 9.466 -7.986 1.00 0.00 H new ATOM 0 HG SER A 67 0.142 11.369 -8.892 1.00 0.00 H new ATOM 974 N ASP A 68 -2.127 11.682 -5.881 1.00 0.00 N ATOM 975 CA ASP A 68 -3.467 12.233 -5.642 1.00 0.00 C ATOM 976 C ASP A 68 -3.777 12.357 -4.155 1.00 0.00 C ATOM 977 O ASP A 68 -4.939 12.455 -3.776 1.00 0.00 O ATOM 978 CB ASP A 68 -4.562 11.392 -6.314 1.00 0.00 C ATOM 979 CG ASP A 68 -4.699 11.659 -7.796 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.989 11.011 -8.593 1.00 0.00 O ATOM 981 OD2 ASP A 68 -5.534 12.511 -8.173 1.00 0.00 O ATOM 0 H ASP A 68 -1.457 12.366 -6.232 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.462 13.228 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.343 10.335 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.516 11.594 -5.826 1.00 0.00 H new ATOM 986 N LEU A 69 -2.750 12.368 -3.312 1.00 0.00 N ATOM 987 CA LEU A 69 -2.970 12.485 -1.870 1.00 0.00 C ATOM 988 C LEU A 69 -3.401 13.907 -1.510 1.00 0.00 C ATOM 989 O LEU A 69 -3.571 14.758 -2.379 1.00 0.00 O ATOM 990 CB LEU A 69 -1.713 12.141 -1.062 1.00 0.00 C ATOM 991 CG LEU A 69 -0.829 11.023 -1.592 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.390 10.885 -0.707 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.608 9.726 -1.615 1.00 0.00 C ATOM 0 H LEU A 69 -1.772 12.299 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.754 11.772 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.106 13.043 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.023 11.876 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.508 11.259 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.025 10.084 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.948 11.821 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.076 10.650 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.972 8.926 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.935 9.480 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.479 9.836 -2.262 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.587 14.149 -0.225 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.913 15.475 0.265 1.00 0.00 C ATOM 1007 C GLN A 70 -2.906 15.882 1.337 1.00 0.00 C ATOM 1008 O GLN A 70 -2.734 15.167 2.322 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.337 15.488 0.830 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.791 16.844 1.351 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.087 17.839 0.246 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.497 17.792 -0.833 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.013 18.746 0.505 1.00 0.00 N ATOM 0 H GLN A 70 -3.517 13.438 0.503 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.863 16.190 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.027 15.161 0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.401 14.761 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.685 16.711 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.019 17.253 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.480 18.753 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.260 19.439 -0.202 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.207 17.017 1.147 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.182 17.486 2.091 1.00 0.00 C ATOM 1024 C PRO A 71 -1.761 17.870 3.453 1.00 0.00 C ATOM 1025 O PRO A 71 -2.686 18.682 3.543 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.579 18.706 1.396 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.626 19.166 0.443 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.358 17.931 0.000 1.00 0.00 C ATOM 0 HA PRO A 71 -0.454 16.705 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.330 19.486 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.343 18.447 0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.306 19.871 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.180 19.681 -0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.406 18.140 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.926 17.511 -0.908 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.208 17.280 4.507 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.670 17.557 5.853 1.00 0.00 C ATOM 1038 C GLY A 72 -2.673 16.530 6.336 1.00 0.00 C ATOM 1039 O GLY A 72 -3.543 16.836 7.152 1.00 0.00 O ATOM 0 H GLY A 72 -0.442 16.609 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.817 17.576 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.124 18.548 5.883 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.560 15.307 5.826 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.500 14.246 6.161 1.00 0.00 C ATOM 1045 C VAL A 73 -2.766 12.945 6.474 1.00 0.00 C ATOM 1046 O VAL A 73 -1.668 12.697 5.970 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.495 14.004 5.006 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.558 13.009 5.379 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.181 15.273 4.575 1.00 0.00 C ATOM 0 H VAL A 73 -1.824 15.027 5.178 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.051 14.567 7.045 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.895 13.613 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.236 12.869 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.092 12.057 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.117 13.379 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.872 15.055 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.733 15.692 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.436 15.992 4.236 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.389 12.125 7.306 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.844 10.851 7.706 1.00 0.00 C ATOM 1061 C GLN A 74 -3.261 9.780 6.709 1.00 0.00 C ATOM 1062 O GLN A 74 -4.429 9.393 6.651 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.374 10.519 9.091 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.992 9.136 9.588 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.608 9.094 10.210 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -1.454 9.296 11.413 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.592 8.838 9.402 1.00 0.00 N ATOM 0 H GLN A 74 -4.296 12.334 7.723 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.755 10.893 7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.004 11.262 9.797 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.461 10.602 9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.725 8.804 10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.033 8.432 8.757 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.759 8.675 8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.358 8.803 9.772 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.310 9.325 5.913 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.576 8.314 4.906 1.00 0.00 C ATOM 1078 C TYR A 75 -2.132 6.933 5.359 1.00 0.00 C ATOM 1079 O TYR A 75 -1.006 6.748 5.840 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.898 8.678 3.586 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.799 9.452 2.657 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.062 10.799 2.869 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.400 8.826 1.576 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.899 11.500 2.023 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.238 9.519 0.729 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.483 10.854 0.955 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.324 11.545 0.115 1.00 0.00 O ATOM 0 H TYR A 75 -1.341 9.642 5.945 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.655 8.283 4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.005 9.268 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.569 7.766 3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.606 11.305 3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.209 7.779 1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.095 12.548 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.700 9.017 -0.108 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.651 10.945 -0.587 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.046 5.983 5.211 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.783 4.583 5.496 1.00 0.00 C ATOM 1099 C ASN A 76 -2.604 3.832 4.188 1.00 0.00 C ATOM 1100 O ASN A 76 -3.544 3.722 3.397 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.950 3.956 6.271 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.319 4.720 7.526 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.769 4.312 8.659 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -5.112 5.660 7.479 1.00 0.00 N flip ATOM 0 H ASN A 76 -3.996 6.166 4.888 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.879 4.516 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.822 3.901 5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.689 2.933 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.514 5.944 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.367 6.155 8.333 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.401 3.348 3.949 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.119 2.552 2.769 1.00 0.00 C ATOM 1113 C ILE A 77 -1.233 1.092 3.111 1.00 0.00 C ATOM 1114 O ILE A 77 -0.540 0.589 4.000 1.00 0.00 O ATOM 1115 CB ILE A 77 0.284 2.825 2.187 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.425 4.257 1.715 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.609 1.899 1.029 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.629 5.265 2.820 1.00 0.00 C ATOM 0 H ILE A 77 -0.598 3.493 4.561 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.850 2.833 2.010 1.00 0.00 H new ATOM 0 HB ILE A 77 0.986 2.640 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.267 4.317 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.468 4.530 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.605 2.126 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.578 0.864 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.123 2.041 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.720 6.263 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.224 5.239 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.538 5.023 3.370 1.00 0.00 H new ATOM 1130 N THR A 78 -2.127 0.431 2.425 1.00 0.00 N ATOM 1131 CA THR A 78 -2.368 -0.955 2.644 1.00 0.00 C ATOM 1132 C THR A 78 -1.845 -1.775 1.465 1.00 0.00 C ATOM 1133 O THR A 78 -2.361 -1.661 0.347 1.00 0.00 O ATOM 1134 CB THR A 78 -3.867 -1.186 2.832 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.373 -0.288 3.831 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.154 -2.620 3.244 1.00 0.00 C ATOM 0 H THR A 78 -2.707 0.848 1.697 1.00 0.00 H new ATOM 0 HA THR A 78 -1.842 -1.275 3.543 1.00 0.00 H new ATOM 0 HB THR A 78 -4.363 -0.998 1.880 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.334 -0.437 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.228 -2.754 3.370 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.792 -3.300 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.648 -2.836 4.185 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.814 -2.585 1.712 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.241 -3.415 0.645 1.00 0.00 C ATOM 1146 C ILE A 79 -0.875 -4.800 0.685 1.00 0.00 C ATOM 1147 O ILE A 79 -0.979 -5.417 1.743 1.00 0.00 O ATOM 1148 CB ILE A 79 1.306 -3.614 0.722 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.105 -2.336 0.937 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.823 -4.248 -0.544 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.720 -1.182 0.055 1.00 0.00 C ATOM 0 H ILE A 79 -0.364 -2.685 2.622 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.453 -2.874 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 79 1.449 -4.251 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.995 -2.029 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.161 -2.556 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.903 -4.378 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.349 -5.219 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.592 -3.605 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.348 -0.322 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.858 -1.461 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.675 -0.926 0.227 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.294 -5.276 -0.469 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.920 -6.575 -0.597 1.00 0.00 C ATOM 1165 C TYR A 80 -1.110 -7.455 -1.546 1.00 0.00 C ATOM 1166 O TYR A 80 -1.081 -7.194 -2.756 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.326 -6.430 -1.190 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.272 -5.520 -0.439 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.060 -6.023 0.587 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.414 -4.172 -0.780 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.962 -5.220 1.253 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.309 -3.365 -0.110 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.084 -3.893 0.902 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.988 -3.093 1.564 1.00 0.00 O ATOM 0 H TYR A 80 -1.209 -4.769 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.969 -7.023 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.232 -6.060 -2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.777 -7.420 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.965 -7.061 0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.816 -3.758 -1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.570 -5.629 2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.403 -2.323 -0.377 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.097 -3.414 2.484 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.477 -8.494 -1.013 1.00 0.00 N ATOM 1185 CA ALA A 81 0.183 -9.493 -1.848 1.00 0.00 C ATOM 1186 C ALA A 81 -0.868 -10.478 -2.336 1.00 0.00 C ATOM 1187 O ALA A 81 -1.409 -11.258 -1.550 1.00 0.00 O ATOM 1188 CB ALA A 81 1.295 -10.211 -1.079 1.00 0.00 C ATOM 0 H ALA A 81 -0.406 -8.667 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 81 0.655 -9.004 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.768 -10.949 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.039 -9.485 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.871 -10.712 -0.209 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.177 -10.431 -3.619 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.299 -11.221 -4.139 1.00 0.00 C ATOM 1196 C VAL A 82 -1.813 -12.435 -4.905 1.00 0.00 C ATOM 1197 O VAL A 82 -0.798 -12.365 -5.580 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.251 -10.394 -5.053 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.529 -9.792 -6.232 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.396 -11.250 -5.560 1.00 0.00 C ATOM 0 H VAL A 82 -0.685 -9.870 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.862 -11.540 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.641 -9.584 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.234 -9.225 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.741 -9.128 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.089 -10.587 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.046 -10.649 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.998 -12.086 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.968 -11.631 -4.714 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.535 -13.545 -4.774 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.309 -14.720 -5.585 1.00 0.00 C ATOM 1212 C GLU A 83 -3.601 -15.042 -6.345 1.00 0.00 C ATOM 1213 O GLU A 83 -4.649 -14.465 -6.047 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.853 -15.908 -4.736 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.530 -17.145 -5.553 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.172 -18.356 -4.723 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -1.744 -18.531 -3.628 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -0.339 -19.165 -5.185 1.00 0.00 O ATOM 0 H GLU A 83 -3.293 -13.647 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.506 -14.521 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.971 -15.619 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.634 -16.151 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.388 -17.388 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.700 -16.919 -6.223 1.00 0.00 H new ATOM 1225 N GLU A 84 -3.503 -15.943 -7.320 1.00 0.00 N ATOM 1226 CA GLU A 84 -4.609 -16.329 -8.205 1.00 0.00 C ATOM 1227 C GLU A 84 -5.981 -16.297 -7.530 1.00 0.00 C ATOM 1228 O GLU A 84 -6.918 -15.696 -8.051 1.00 0.00 O ATOM 1229 CB GLU A 84 -4.370 -17.744 -8.727 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.979 -17.969 -9.284 1.00 0.00 C ATOM 1231 CD GLU A 84 -2.768 -19.395 -9.734 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -2.472 -20.254 -8.876 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -2.887 -19.667 -10.947 1.00 0.00 O ATOM 0 H GLU A 84 -2.635 -16.438 -7.524 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.624 -15.593 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.545 -18.453 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.101 -17.961 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.813 -17.296 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.240 -17.717 -8.524 1.00 0.00 H new ATOM 1240 N ASN A 85 -6.103 -16.939 -6.376 1.00 0.00 N ATOM 1241 CA ASN A 85 -7.413 -17.121 -5.763 1.00 0.00 C ATOM 1242 C ASN A 85 -7.591 -16.330 -4.469 1.00 0.00 C ATOM 1243 O ASN A 85 -8.722 -16.016 -4.094 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.674 -18.607 -5.491 1.00 0.00 C ATOM 1245 CG ASN A 85 -6.737 -19.198 -4.451 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -5.576 -18.800 -4.336 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -7.239 -20.148 -3.681 1.00 0.00 N ATOM 0 H ASN A 85 -5.324 -17.337 -5.851 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.138 -16.734 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.704 -18.733 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.571 -19.164 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.660 -20.579 -2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.205 -20.450 -3.808 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.504 -15.997 -3.785 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.616 -15.428 -2.456 1.00 0.00 C ATOM 1256 C GLN A 86 -5.657 -14.272 -2.263 1.00 0.00 C ATOM 1257 O GLN A 86 -4.825 -13.996 -3.116 1.00 0.00 O ATOM 1258 CB GLN A 86 -6.343 -16.514 -1.425 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.925 -17.065 -1.470 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.698 -18.196 -0.482 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.374 -18.146 0.656 1.00 0.00 O flip ATOM 1262 NE2 GLN A 86 -3.911 -19.103 -0.736 1.00 0.00 N flip ATOM 0 H GLN A 86 -5.549 -16.110 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.626 -15.039 -2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.535 -16.113 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.046 -17.333 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.711 -17.421 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.221 -16.260 -1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.408 -19.108 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.760 -19.852 -0.060 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.787 -13.602 -1.134 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.923 -12.485 -0.802 1.00 0.00 C ATOM 1273 C GLU A 87 -4.197 -12.761 0.502 1.00 0.00 C ATOM 1274 O GLU A 87 -4.689 -13.504 1.356 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.735 -11.197 -0.671 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.417 -10.765 -1.956 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.291 -9.548 -1.753 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.416 -9.705 -1.234 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -6.858 -8.429 -2.090 1.00 0.00 O ATOM 0 H GLU A 87 -6.489 -13.814 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.196 -12.363 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.491 -11.333 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.076 -10.397 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.662 -10.547 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.023 -11.586 -2.339 1.00 0.00 H new ATOM 1286 N SER A 88 -3.024 -12.174 0.639 1.00 0.00 N ATOM 1287 CA SER A 88 -2.262 -12.280 1.865 1.00 0.00 C ATOM 1288 C SER A 88 -2.802 -11.291 2.890 1.00 0.00 C ATOM 1289 O SER A 88 -3.750 -10.552 2.606 1.00 0.00 O ATOM 1290 CB SER A 88 -0.788 -11.990 1.588 1.00 0.00 C ATOM 1291 OG SER A 88 -0.330 -12.727 0.469 1.00 0.00 O ATOM 0 H SER A 88 -2.577 -11.616 -0.089 1.00 0.00 H new ATOM 0 HA SER A 88 -2.355 -13.292 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.651 -10.924 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.192 -12.244 2.465 1.00 0.00 H new ATOM 0 HG SER A 88 -0.638 -12.296 -0.355 1.00 0.00 H new ATOM 1297 N THR A 89 -2.207 -11.278 4.070 1.00 0.00 N ATOM 1298 CA THR A 89 -2.535 -10.282 5.070 1.00 0.00 C ATOM 1299 C THR A 89 -2.247 -8.879 4.530 1.00 0.00 C ATOM 1300 O THR A 89 -1.523 -8.720 3.546 1.00 0.00 O ATOM 1301 CB THR A 89 -1.732 -10.535 6.357 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.502 -11.203 6.041 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.536 -11.371 7.343 1.00 0.00 C ATOM 0 H THR A 89 -1.493 -11.948 4.358 1.00 0.00 H new ATOM 0 HA THR A 89 -3.597 -10.355 5.304 1.00 0.00 H new ATOM 0 HB THR A 89 -1.513 -9.573 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.006 -11.360 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.947 -11.536 8.245 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.455 -10.845 7.601 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.783 -12.331 6.890 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.856 -7.845 5.112 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.632 -6.478 4.677 1.00 0.00 C ATOM 1313 C PRO A 90 -1.445 -5.806 5.373 1.00 0.00 C ATOM 1314 O PRO A 90 -1.230 -5.974 6.577 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.941 -5.793 5.063 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.432 -6.535 6.266 1.00 0.00 C ATOM 1317 CD PRO A 90 -3.831 -7.917 6.214 1.00 0.00 C ATOM 0 HA PRO A 90 -2.383 -6.421 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.782 -4.738 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.665 -5.839 4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.137 -6.022 7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.521 -6.589 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.349 -8.177 7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.591 -8.675 6.025 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.671 -5.065 4.597 1.00 0.00 N ATOM 1326 CA VAL A 91 0.295 -4.119 5.130 1.00 0.00 C ATOM 1327 C VAL A 91 -0.433 -2.837 5.445 1.00 0.00 C ATOM 1328 O VAL A 91 -1.053 -2.283 4.552 1.00 0.00 O ATOM 1329 CB VAL A 91 1.353 -3.747 4.091 1.00 0.00 C ATOM 1330 CG1 VAL A 91 2.039 -2.455 4.501 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.370 -4.854 3.900 1.00 0.00 C ATOM 0 H VAL A 91 -0.695 -5.103 3.578 1.00 0.00 H new ATOM 0 HA VAL A 91 0.767 -4.578 5.998 1.00 0.00 H new ATOM 0 HB VAL A 91 0.852 -3.604 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.793 -2.192 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.300 -1.656 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.517 -2.589 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.104 -4.549 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.875 -5.051 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.864 -5.759 3.563 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.374 -2.359 6.670 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.929 -1.054 6.962 1.00 0.00 C ATOM 1343 C VAL A 92 0.153 -0.142 7.520 1.00 0.00 C ATOM 1344 O VAL A 92 0.584 -0.296 8.662 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.104 -1.121 7.957 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.853 0.201 7.955 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.043 -2.272 7.621 1.00 0.00 C ATOM 0 H VAL A 92 0.044 -2.842 7.465 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.314 -0.654 6.024 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.705 -1.302 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.683 0.150 8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.176 1.003 8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.238 0.400 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.862 -2.295 8.340 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.444 -2.133 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.495 -3.213 7.665 1.00 0.00 H new ATOM 1357 N ILE A 93 0.594 0.800 6.702 1.00 0.00 N ATOM 1358 CA ILE A 93 1.613 1.758 7.107 1.00 0.00 C ATOM 1359 C ILE A 93 1.075 3.177 6.975 1.00 0.00 C ATOM 1360 O ILE A 93 0.709 3.614 5.888 1.00 0.00 O ATOM 1361 CB ILE A 93 2.907 1.598 6.272 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.594 1.654 4.784 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.611 0.297 6.629 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.824 1.700 3.928 1.00 0.00 C ATOM 0 H ILE A 93 0.260 0.923 5.746 1.00 0.00 H new ATOM 0 HA ILE A 93 1.864 1.562 8.149 1.00 0.00 H new ATOM 0 HB ILE A 93 3.577 2.425 6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.000 0.782 4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.983 2.533 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.519 0.199 6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.870 0.302 7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.949 -0.544 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.535 1.739 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.408 2.586 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.425 0.808 4.106 1.00 0.00 H new ATOM 1376 N GLN A 94 0.991 3.886 8.084 1.00 0.00 N ATOM 1377 CA GLN A 94 0.398 5.214 8.074 1.00 0.00 C ATOM 1378 C GLN A 94 1.451 6.300 8.250 1.00 0.00 C ATOM 1379 O GLN A 94 2.283 6.240 9.156 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.677 5.335 9.160 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.177 5.029 10.562 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.245 5.211 11.622 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -0.824 5.557 12.826 1.00 0.00 O flip ATOM 1384 NE2 GLN A 94 -2.438 5.036 11.363 1.00 0.00 N flip ATOM 0 H GLN A 94 1.322 3.571 8.996 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.069 5.356 7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.084 6.346 9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.497 4.658 8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.190 4.003 10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.669 5.678 10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.721 4.769 10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.141 5.158 12.092 1.00 0.00 H new ATOM 1393 N GLN A 95 1.427 7.276 7.350 1.00 0.00 N ATOM 1394 CA GLN A 95 2.257 8.473 7.485 1.00 0.00 C ATOM 1395 C GLN A 95 1.443 9.702 7.141 1.00 0.00 C ATOM 1396 O GLN A 95 0.489 9.627 6.375 1.00 0.00 O ATOM 1397 CB GLN A 95 3.504 8.421 6.605 1.00 0.00 C ATOM 1398 CG GLN A 95 3.567 7.171 5.798 1.00 0.00 C ATOM 1399 CD GLN A 95 2.845 7.333 4.483 1.00 0.00 C ATOM 1400 OE1 GLN A 95 3.170 6.689 3.499 1.00 0.00 O ATOM 1401 NE2 GLN A 95 1.869 8.228 4.457 1.00 0.00 N ATOM 0 H GLN A 95 0.841 7.264 6.515 1.00 0.00 H new ATOM 0 HA GLN A 95 2.591 8.520 8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.513 9.283 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.393 8.493 7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.608 6.906 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.124 6.349 6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.629 8.745 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.358 8.400 3.591 1.00 0.00 H new ATOM 1410 N GLU A 96 1.816 10.816 7.705 1.00 0.00 N ATOM 1411 CA GLU A 96 1.106 12.061 7.467 1.00 0.00 C ATOM 1412 C GLU A 96 1.819 12.860 6.393 1.00 0.00 C ATOM 1413 O GLU A 96 3.022 13.108 6.491 1.00 0.00 O ATOM 1414 CB GLU A 96 0.995 12.872 8.756 1.00 0.00 C ATOM 1415 CG GLU A 96 0.218 12.157 9.844 1.00 0.00 C ATOM 1416 CD GLU A 96 0.222 12.907 11.154 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -0.460 13.944 11.257 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.899 12.456 12.097 1.00 0.00 O ATOM 0 H GLU A 96 2.612 10.897 8.338 1.00 0.00 H new ATOM 0 HA GLU A 96 0.097 11.832 7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.996 13.099 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.511 13.824 8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.811 12.014 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.644 11.165 9.997 1.00 0.00 H new ATOM 1425 N THR A 97 1.076 13.238 5.367 1.00 0.00 N ATOM 1426 CA THR A 97 1.636 13.951 4.234 1.00 0.00 C ATOM 1427 C THR A 97 2.238 15.286 4.663 1.00 0.00 C ATOM 1428 O THR A 97 1.530 16.206 5.082 1.00 0.00 O ATOM 1429 CB THR A 97 0.568 14.179 3.156 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.617 14.706 3.760 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.235 12.885 2.428 1.00 0.00 C ATOM 0 H THR A 97 0.074 13.060 5.297 1.00 0.00 H new ATOM 0 HA THR A 97 2.433 13.334 3.818 1.00 0.00 H new ATOM 0 HB THR A 97 0.963 14.888 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.390 14.511 3.190 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.524 13.079 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.133 12.495 1.950 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.143 12.153 3.142 1.00 0.00 H new ATOM 1439 N THR A 98 3.552 15.375 4.555 1.00 0.00 N ATOM 1440 CA THR A 98 4.293 16.545 4.990 1.00 0.00 C ATOM 1441 C THR A 98 4.018 17.734 4.074 1.00 0.00 C ATOM 1442 O THR A 98 4.038 18.889 4.501 1.00 0.00 O ATOM 1443 CB THR A 98 5.799 16.234 5.001 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.022 14.975 5.654 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.585 17.322 5.717 1.00 0.00 C ATOM 0 H THR A 98 4.136 14.637 4.162 1.00 0.00 H new ATOM 0 HA THR A 98 3.967 16.803 5.998 1.00 0.00 H new ATOM 0 HB THR A 98 6.145 16.188 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.981 14.775 5.660 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.646 17.071 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.432 18.275 5.210 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.241 17.401 6.748 1.00 0.00 H new