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= -1.29 F(o=-2.4!,f=-1.3) USER MOD Set 1.2: A 94 GLN : amide:sc= 0 X(o=-1.3,f=-1.8) USER MOD Set 2.1: A 62 ASN : amide:sc= 0.141 K(o=0.32,f=-2.6!) USER MOD Set 2.2: A 63 SER OG : rot -77:sc= 0.183 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 24 THR OG1 : rot -72:sc= 1.29 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 33:sc= -4.24! USER MOD Single : A 44 TYR OH : rot 160:sc= -1.53! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 30:sc= 0.314 USER MOD Single : A 53 THR OG1 : rot 159:sc= 0.104 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 60 THR OG1 : rot -38:sc= 1.03 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.742 K(o=-0.74,f=-5!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0097 F(o=-1.1,f=-0.0097) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0357 USER MOD Single : A 85 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.67!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 88 SER OG : rot 79:sc= 0.13 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.205 F(o=-1.8,f=-0.2) USER MOD Single : A 97 THR OG1 : rot -159:sc= 1.96 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.023 -11.669 4.092 1.00 0.00 N ATOM 142 CA ALA A 12 2.160 -10.305 3.612 1.00 0.00 C ATOM 143 C ALA A 12 3.572 -9.800 3.866 1.00 0.00 C ATOM 144 O ALA A 12 4.274 -10.333 4.728 1.00 0.00 O ATOM 145 CB ALA A 12 1.161 -9.409 4.319 1.00 0.00 C ATOM 0 HA ALA A 12 1.965 -10.287 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.268 -8.387 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.150 -9.762 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.347 -9.433 5.393 1.00 0.00 H new ATOM 151 N PRO A 13 4.004 -8.756 3.147 1.00 0.00 N ATOM 152 CA PRO A 13 5.310 -8.137 3.373 1.00 0.00 C ATOM 153 C PRO A 13 5.366 -7.433 4.724 1.00 0.00 C ATOM 154 O PRO A 13 4.442 -6.703 5.080 1.00 0.00 O ATOM 155 CB PRO A 13 5.426 -7.105 2.242 1.00 0.00 C ATOM 156 CG PRO A 13 4.370 -7.471 1.259 1.00 0.00 C ATOM 157 CD PRO A 13 3.271 -8.083 2.062 1.00 0.00 C ATOM 0 HA PRO A 13 6.116 -8.871 3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.278 -6.093 2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.415 -7.134 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.018 -6.593 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.751 -8.173 0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.581 -7.331 2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.682 -8.786 1.473 1.00 0.00 H new ATOM 165 N PRO A 14 6.424 -7.681 5.517 1.00 0.00 N ATOM 166 CA PRO A 14 6.672 -6.946 6.763 1.00 0.00 C ATOM 167 C PRO A 14 6.600 -5.442 6.539 1.00 0.00 C ATOM 168 O PRO A 14 6.891 -4.974 5.436 1.00 0.00 O ATOM 169 CB PRO A 14 8.091 -7.373 7.145 1.00 0.00 C ATOM 170 CG PRO A 14 8.256 -8.723 6.540 1.00 0.00 C ATOM 171 CD PRO A 14 7.442 -8.717 5.275 1.00 0.00 C ATOM 0 HA PRO A 14 5.935 -7.162 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.832 -6.673 6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.217 -7.406 8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.305 -8.929 6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.911 -9.500 7.222 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.055 -8.480 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.986 -9.689 5.088 1.00 0.00 H new ATOM 179 N ASP A 15 6.226 -4.710 7.599 1.00 0.00 N ATOM 180 CA ASP A 15 5.920 -3.272 7.523 1.00 0.00 C ATOM 181 C ASP A 15 6.828 -2.537 6.551 1.00 0.00 C ATOM 182 O ASP A 15 8.008 -2.320 6.833 1.00 0.00 O ATOM 183 CB ASP A 15 6.051 -2.623 8.905 1.00 0.00 C ATOM 184 CG ASP A 15 4.964 -3.048 9.867 1.00 0.00 C ATOM 185 OD1 ASP A 15 4.964 -4.225 10.288 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.116 -2.203 10.225 1.00 0.00 O ATOM 0 H ASP A 15 6.127 -5.099 8.537 1.00 0.00 H new ATOM 0 HA ASP A 15 4.895 -3.192 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.022 -2.878 9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.026 -1.539 8.794 1.00 0.00 H new ATOM 191 N PRO A 16 6.284 -2.160 5.386 1.00 0.00 N ATOM 192 CA PRO A 16 7.017 -1.399 4.367 1.00 0.00 C ATOM 193 C PRO A 16 7.379 -0.005 4.845 1.00 0.00 C ATOM 194 O PRO A 16 6.679 0.596 5.661 1.00 0.00 O ATOM 195 CB PRO A 16 6.035 -1.335 3.184 1.00 0.00 C ATOM 196 CG PRO A 16 5.083 -2.444 3.447 1.00 0.00 C ATOM 197 CD PRO A 16 4.920 -2.471 4.938 1.00 0.00 C ATOM 0 HA PRO A 16 7.968 -1.866 4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.525 -0.373 3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.548 -1.467 2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.129 -2.272 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.470 -3.393 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.196 -1.734 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.582 -3.443 5.296 1.00 0.00 H new ATOM 205 N THR A 17 8.483 0.496 4.339 1.00 0.00 N ATOM 206 CA THR A 17 8.970 1.804 4.722 1.00 0.00 C ATOM 207 C THR A 17 8.744 2.800 3.612 1.00 0.00 C ATOM 208 O THR A 17 9.035 2.542 2.443 1.00 0.00 O ATOM 209 CB THR A 17 10.465 1.750 5.091 1.00 0.00 C ATOM 210 OG1 THR A 17 10.680 0.716 6.060 1.00 0.00 O ATOM 211 CG2 THR A 17 10.945 3.081 5.653 1.00 0.00 C ATOM 0 H THR A 17 9.066 0.013 3.655 1.00 0.00 H new ATOM 0 HA THR A 17 8.411 2.126 5.601 1.00 0.00 H new ATOM 0 HB THR A 17 11.033 1.539 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.631 0.680 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.003 3.010 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.800 3.864 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.375 3.324 6.550 1.00 0.00 H new ATOM 219 N VAL A 18 8.163 3.911 3.996 1.00 0.00 N ATOM 220 CA VAL A 18 7.958 5.028 3.093 1.00 0.00 C ATOM 221 C VAL A 18 9.293 5.710 2.788 1.00 0.00 C ATOM 222 O VAL A 18 10.002 6.160 3.689 1.00 0.00 O ATOM 223 CB VAL A 18 6.947 6.039 3.674 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.915 7.319 2.843 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.557 5.414 3.753 1.00 0.00 C ATOM 0 H VAL A 18 7.817 4.071 4.942 1.00 0.00 H new ATOM 0 HA VAL A 18 7.540 4.643 2.163 1.00 0.00 H new ATOM 0 HB VAL A 18 7.268 6.301 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.195 8.015 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.904 7.776 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.623 7.081 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.855 6.139 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.232 5.121 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.589 4.535 4.396 1.00 0.00 H new ATOM 235 N ASP A 19 9.624 5.759 1.506 1.00 0.00 N ATOM 236 CA ASP A 19 10.919 6.245 1.041 1.00 0.00 C ATOM 237 C ASP A 19 10.930 7.763 0.926 1.00 0.00 C ATOM 238 O ASP A 19 11.861 8.425 1.383 1.00 0.00 O ATOM 239 CB ASP A 19 11.237 5.622 -0.319 1.00 0.00 C ATOM 240 CG ASP A 19 12.618 5.980 -0.828 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.583 5.277 -0.469 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.739 6.949 -1.607 1.00 0.00 O ATOM 0 H ASP A 19 9.001 5.462 0.755 1.00 0.00 H new ATOM 0 HA ASP A 19 11.677 5.956 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.154 4.538 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.493 5.949 -1.045 1.00 0.00 H new ATOM 247 N GLN A 20 9.882 8.303 0.325 1.00 0.00 N ATOM 248 CA GLN A 20 9.765 9.738 0.110 1.00 0.00 C ATOM 249 C GLN A 20 8.368 10.199 0.462 1.00 0.00 C ATOM 250 O GLN A 20 7.383 9.525 0.150 1.00 0.00 O ATOM 251 CB GLN A 20 10.081 10.096 -1.344 1.00 0.00 C ATOM 252 CG GLN A 20 11.551 9.971 -1.702 1.00 0.00 C ATOM 253 CD GLN A 20 11.832 10.285 -3.157 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.126 11.078 -3.785 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.867 9.669 -3.702 1.00 0.00 N ATOM 0 H GLN A 20 9.091 7.763 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 20 10.485 10.243 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.501 9.449 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.756 11.119 -1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.132 10.644 -1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.888 8.958 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.425 9.020 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.108 9.842 -4.678 1.00 0.00 H new ATOM 264 N VAL A 21 8.289 11.332 1.131 1.00 0.00 N ATOM 265 CA VAL A 21 7.017 11.871 1.567 1.00 0.00 C ATOM 266 C VAL A 21 6.810 13.282 1.026 1.00 0.00 C ATOM 267 O VAL A 21 7.618 14.175 1.283 1.00 0.00 O ATOM 268 CB VAL A 21 6.908 11.914 3.105 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.507 12.316 3.522 1.00 0.00 C ATOM 270 CG2 VAL A 21 7.292 10.580 3.723 1.00 0.00 C ATOM 0 H VAL A 21 9.097 11.900 1.386 1.00 0.00 H new ATOM 0 HA VAL A 21 6.247 11.205 1.176 1.00 0.00 H new ATOM 0 HB VAL A 21 7.610 12.662 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.445 12.342 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.277 13.303 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.790 11.592 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.205 10.643 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.627 9.801 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.320 10.337 3.455 1.00 0.00 H new ATOM 280 N ASP A 22 5.736 13.474 0.273 1.00 0.00 N ATOM 281 CA ASP A 22 5.389 14.791 -0.244 1.00 0.00 C ATOM 282 C ASP A 22 3.917 15.096 0.019 1.00 0.00 C ATOM 283 O ASP A 22 3.289 14.461 0.868 1.00 0.00 O ATOM 284 CB ASP A 22 5.695 14.892 -1.745 1.00 0.00 C ATOM 285 CG ASP A 22 7.177 15.033 -2.030 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.773 16.046 -1.601 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.754 14.134 -2.685 1.00 0.00 O ATOM 0 H ASP A 22 5.088 12.733 0.006 1.00 0.00 H new ATOM 0 HA ASP A 22 5.999 15.529 0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.315 14.004 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.165 15.748 -2.163 1.00 0.00 H new ATOM 292 N ASP A 23 3.388 16.083 -0.688 1.00 0.00 N ATOM 293 CA ASP A 23 2.002 16.511 -0.529 1.00 0.00 C ATOM 294 C ASP A 23 1.015 15.509 -1.120 1.00 0.00 C ATOM 295 O ASP A 23 0.279 14.841 -0.397 1.00 0.00 O ATOM 296 CB ASP A 23 1.806 17.886 -1.187 1.00 0.00 C ATOM 297 CG ASP A 23 2.368 17.951 -2.598 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.604 17.947 -2.747 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.577 17.972 -3.564 1.00 0.00 O ATOM 0 H ASP A 23 3.906 16.612 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 23 1.799 16.575 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.742 18.122 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.287 18.649 -0.574 1.00 0.00 H new ATOM 304 N THR A 24 1.016 15.403 -2.434 1.00 0.00 N ATOM 305 CA THR A 24 0.020 14.636 -3.155 1.00 0.00 C ATOM 306 C THR A 24 0.637 13.377 -3.762 1.00 0.00 C ATOM 307 O THR A 24 0.161 12.851 -4.767 1.00 0.00 O ATOM 308 CB THR A 24 -0.605 15.523 -4.247 1.00 0.00 C ATOM 309 OG1 THR A 24 0.430 16.094 -5.063 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.411 16.647 -3.610 1.00 0.00 C ATOM 0 H THR A 24 1.710 15.848 -3.034 1.00 0.00 H new ATOM 0 HA THR A 24 -0.759 14.316 -2.463 1.00 0.00 H new ATOM 0 HB THR A 24 -1.262 14.908 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.901 16.787 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.849 17.269 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.205 16.222 -2.996 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.756 17.256 -2.986 1.00 0.00 H new ATOM 318 N SER A 25 1.677 12.885 -3.100 1.00 0.00 N ATOM 319 CA SER A 25 2.457 11.749 -3.572 1.00 0.00 C ATOM 320 C SER A 25 3.413 11.279 -2.478 1.00 0.00 C ATOM 321 O SER A 25 4.064 12.092 -1.824 1.00 0.00 O ATOM 322 CB SER A 25 3.230 12.113 -4.843 1.00 0.00 C ATOM 323 OG SER A 25 3.901 13.356 -4.698 1.00 0.00 O ATOM 0 H SER A 25 2.005 13.267 -2.213 1.00 0.00 H new ATOM 0 HA SER A 25 1.774 10.935 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.954 11.330 -5.068 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.543 12.164 -5.688 1.00 0.00 H new ATOM 0 HG SER A 25 4.388 13.563 -5.523 1.00 0.00 H new ATOM 329 N ILE A 26 3.475 9.973 -2.271 1.00 0.00 N ATOM 330 CA ILE A 26 4.353 9.378 -1.249 1.00 0.00 C ATOM 331 C ILE A 26 4.842 8.031 -1.769 1.00 0.00 C ATOM 332 O ILE A 26 4.199 7.462 -2.616 1.00 0.00 O ATOM 333 CB ILE A 26 3.604 9.204 0.110 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.454 10.543 0.833 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.303 8.210 1.022 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.726 10.430 2.154 1.00 0.00 C ATOM 0 H ILE A 26 2.927 9.292 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 26 5.199 10.040 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 26 2.615 8.813 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.443 10.968 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.917 11.238 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.748 8.120 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.349 7.237 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.314 8.559 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.654 11.415 2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.725 10.034 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.274 9.759 2.815 1.00 0.00 H new ATOM 348 N VAL A 27 5.968 7.517 -1.307 1.00 0.00 N ATOM 349 CA VAL A 27 6.457 6.251 -1.836 1.00 0.00 C ATOM 350 C VAL A 27 6.597 5.238 -0.723 1.00 0.00 C ATOM 351 O VAL A 27 7.030 5.590 0.362 1.00 0.00 O ATOM 352 CB VAL A 27 7.822 6.412 -2.520 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.273 5.081 -3.103 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.768 7.484 -3.596 1.00 0.00 C ATOM 0 H VAL A 27 6.550 7.942 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 27 5.730 5.909 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 27 8.549 6.730 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.242 5.205 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.357 4.344 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.543 4.739 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.747 7.578 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.030 7.207 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.488 8.437 -3.147 1.00 0.00 H new ATOM 364 N VAL A 28 6.241 3.985 -0.970 1.00 0.00 N ATOM 365 CA VAL A 28 6.426 2.966 0.049 1.00 0.00 C ATOM 366 C VAL A 28 7.125 1.744 -0.533 1.00 0.00 C ATOM 367 O VAL A 28 6.971 1.442 -1.714 1.00 0.00 O ATOM 368 CB VAL A 28 5.100 2.553 0.730 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.083 3.664 0.693 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.533 1.282 0.147 1.00 0.00 C ATOM 0 H VAL A 28 5.832 3.656 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 28 7.057 3.407 0.821 1.00 0.00 H new ATOM 0 HB VAL A 28 5.338 2.354 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.166 3.334 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.478 4.536 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.868 3.926 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.602 1.032 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.338 1.425 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.249 0.470 0.279 1.00 0.00 H new ATOM 380 N ARG A 29 7.896 1.060 0.304 1.00 0.00 N ATOM 381 CA ARG A 29 8.696 -0.088 -0.123 1.00 0.00 C ATOM 382 C ARG A 29 8.499 -1.254 0.836 1.00 0.00 C ATOM 383 O ARG A 29 8.815 -1.155 2.022 1.00 0.00 O ATOM 384 CB ARG A 29 10.181 0.304 -0.169 1.00 0.00 C ATOM 385 CG ARG A 29 10.456 1.559 -0.986 1.00 0.00 C ATOM 386 CD ARG A 29 11.876 2.070 -0.793 1.00 0.00 C ATOM 387 NE ARG A 29 12.887 1.142 -1.288 1.00 0.00 N ATOM 388 CZ ARG A 29 14.188 1.430 -1.345 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.628 2.623 -0.952 1.00 0.00 N ATOM 390 NH2 ARG A 29 15.047 0.531 -1.803 1.00 0.00 N ATOM 0 H ARG A 29 7.986 1.282 1.295 1.00 0.00 H new ATOM 0 HA ARG A 29 8.372 -0.394 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.539 0.458 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.754 -0.524 -0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.288 1.347 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.749 2.338 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.985 3.026 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.049 2.256 0.267 1.00 0.00 H new ATOM 0 HE ARG A 29 12.582 0.223 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.969 3.321 -0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.624 2.840 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.713 -0.382 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.042 0.752 -1.846 1.00 0.00 H new ATOM 404 N TRP A 30 8.022 -2.364 0.294 1.00 0.00 N ATOM 405 CA TRP A 30 7.645 -3.527 1.095 1.00 0.00 C ATOM 406 C TRP A 30 8.580 -4.712 0.855 1.00 0.00 C ATOM 407 O TRP A 30 9.062 -4.933 -0.260 1.00 0.00 O ATOM 408 CB TRP A 30 6.189 -3.936 0.795 1.00 0.00 C ATOM 409 CG TRP A 30 5.895 -4.157 -0.652 1.00 0.00 C ATOM 410 CD1 TRP A 30 6.149 -5.272 -1.375 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.247 -3.248 -1.534 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.748 -5.099 -2.674 1.00 0.00 N ATOM 413 CE2 TRP A 30 5.173 -3.867 -2.793 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.731 -1.968 -1.383 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.598 -3.246 -3.892 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.156 -1.358 -2.472 1.00 0.00 C ATOM 417 CH2 TRP A 30 4.090 -1.993 -3.709 1.00 0.00 C ATOM 0 H TRP A 30 7.884 -2.488 -0.709 1.00 0.00 H new ATOM 0 HA TRP A 30 7.732 -3.242 2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.961 -4.850 1.343 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.522 -3.162 1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.603 -6.171 -0.984 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.861 -5.778 -3.427 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.780 -1.462 -0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.554 -3.735 -4.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.746 -0.364 -2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.627 -1.483 -4.541 1.00 0.00 H new ATOM 428 N SER A 31 8.839 -5.467 1.916 1.00 0.00 N ATOM 429 CA SER A 31 9.615 -6.693 1.820 1.00 0.00 C ATOM 430 C SER A 31 8.701 -7.851 1.429 1.00 0.00 C ATOM 431 O SER A 31 8.177 -8.566 2.284 1.00 0.00 O ATOM 432 CB SER A 31 10.316 -6.981 3.150 1.00 0.00 C ATOM 433 OG SER A 31 11.100 -5.871 3.559 1.00 0.00 O ATOM 0 H SER A 31 8.519 -5.247 2.859 1.00 0.00 H new ATOM 0 HA SER A 31 10.379 -6.575 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.574 -7.209 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.950 -7.862 3.048 1.00 0.00 H new ATOM 0 HG SER A 31 11.538 -6.076 4.412 1.00 0.00 H new ATOM 439 N ARG A 32 8.520 -8.007 0.126 1.00 0.00 N ATOM 440 CA ARG A 32 7.593 -8.980 -0.455 1.00 0.00 C ATOM 441 C ARG A 32 7.817 -10.396 0.095 1.00 0.00 C ATOM 442 O ARG A 32 8.926 -10.753 0.490 1.00 0.00 O ATOM 443 CB ARG A 32 7.735 -8.970 -1.982 1.00 0.00 C ATOM 444 CG ARG A 32 9.177 -8.918 -2.451 1.00 0.00 C ATOM 445 CD ARG A 32 9.618 -7.503 -2.799 1.00 0.00 C ATOM 446 NE ARG A 32 11.060 -7.437 -3.025 1.00 0.00 N ATOM 447 CZ ARG A 32 11.911 -6.722 -2.286 1.00 0.00 C ATOM 448 NH1 ARG A 32 11.472 -5.947 -1.300 1.00 0.00 N ATOM 449 NH2 ARG A 32 13.208 -6.770 -2.550 1.00 0.00 N ATOM 0 H ARG A 32 9.018 -7.455 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 32 6.581 -8.688 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.260 -9.862 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.198 -8.111 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.825 -9.317 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.297 -9.559 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.092 -7.165 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.343 -6.825 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 32 11.443 -7.975 -3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.473 -5.893 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.134 -5.406 -0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.552 -7.351 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.863 -6.226 -1.989 1.00 0.00 H new ATOM 463 N PRO A 33 6.754 -11.227 0.103 1.00 0.00 N ATOM 464 CA PRO A 33 6.760 -12.542 0.740 1.00 0.00 C ATOM 465 C PRO A 33 7.468 -13.601 -0.089 1.00 0.00 C ATOM 466 O PRO A 33 7.660 -13.446 -1.297 1.00 0.00 O ATOM 467 CB PRO A 33 5.267 -12.907 0.852 1.00 0.00 C ATOM 468 CG PRO A 33 4.504 -11.754 0.290 1.00 0.00 C ATOM 469 CD PRO A 33 5.466 -10.970 -0.540 1.00 0.00 C ATOM 0 HA PRO A 33 7.291 -12.507 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.049 -13.822 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.989 -13.087 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.665 -12.102 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.089 -11.138 1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.462 -11.300 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.222 -9.908 -0.542 1.00 0.00 H new ATOM 477 N GLN A 34 7.854 -14.677 0.582 1.00 0.00 N ATOM 478 CA GLN A 34 8.362 -15.868 -0.078 1.00 0.00 C ATOM 479 C GLN A 34 7.181 -16.673 -0.616 1.00 0.00 C ATOM 480 O GLN A 34 7.337 -17.580 -1.435 1.00 0.00 O ATOM 481 CB GLN A 34 9.180 -16.697 0.912 1.00 0.00 C ATOM 482 CG GLN A 34 9.740 -17.985 0.332 1.00 0.00 C ATOM 483 CD GLN A 34 10.414 -18.856 1.374 1.00 0.00 C ATOM 484 OE1 GLN A 34 11.018 -18.237 2.378 1.00 0.00 O flip ATOM 485 NE2 GLN A 34 10.402 -20.081 1.272 1.00 0.00 N flip ATOM 0 H GLN A 34 7.823 -14.747 1.599 1.00 0.00 H new ATOM 0 HA GLN A 34 9.013 -15.591 -0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.006 -16.089 1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.553 -16.940 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.933 -18.547 -0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.458 -17.743 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.927 -20.523 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.867 -20.656 1.974 1.00 0.00 H new ATOM 494 N ALA A 35 5.993 -16.321 -0.126 1.00 0.00 N ATOM 495 CA ALA A 35 4.745 -16.902 -0.593 1.00 0.00 C ATOM 496 C ALA A 35 4.578 -16.727 -2.091 1.00 0.00 C ATOM 497 O ALA A 35 4.998 -15.711 -2.652 1.00 0.00 O ATOM 498 CB ALA A 35 3.577 -16.227 0.102 1.00 0.00 C ATOM 0 H ALA A 35 5.874 -15.623 0.608 1.00 0.00 H new ATOM 0 HA ALA A 35 4.769 -17.967 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.642 -16.664 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.662 -16.371 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.586 -15.161 -0.124 1.00 0.00 H new ATOM 504 N PRO A 36 3.967 -17.705 -2.767 1.00 0.00 N ATOM 505 CA PRO A 36 3.581 -17.539 -4.157 1.00 0.00 C ATOM 506 C PRO A 36 2.473 -16.501 -4.268 1.00 0.00 C ATOM 507 O PRO A 36 1.380 -16.688 -3.736 1.00 0.00 O ATOM 508 CB PRO A 36 3.066 -18.923 -4.576 1.00 0.00 C ATOM 509 CG PRO A 36 3.501 -19.858 -3.495 1.00 0.00 C ATOM 510 CD PRO A 36 3.612 -19.032 -2.247 1.00 0.00 C ATOM 0 HA PRO A 36 4.402 -17.195 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.981 -18.922 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.479 -19.219 -5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.780 -20.665 -3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.456 -20.321 -3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.675 -19.011 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.375 -19.419 -1.572 1.00 0.00 H new ATOM 518 N ILE A 37 2.772 -15.402 -4.932 1.00 0.00 N ATOM 519 CA ILE A 37 1.816 -14.328 -5.121 1.00 0.00 C ATOM 520 C ILE A 37 1.742 -13.979 -6.614 1.00 0.00 C ATOM 521 O ILE A 37 2.726 -14.123 -7.334 1.00 0.00 O ATOM 522 CB ILE A 37 2.222 -13.081 -4.286 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.602 -12.600 -4.727 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.203 -13.375 -2.775 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.346 -11.797 -3.688 1.00 0.00 C ATOM 0 H ILE A 37 3.683 -15.228 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 37 0.834 -14.653 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 37 1.490 -12.294 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.205 -13.466 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.491 -11.994 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.493 -12.479 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.199 -13.675 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.904 -14.179 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.315 -11.497 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.768 -10.909 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.493 -12.405 -2.795 1.00 0.00 H new ATOM 537 N THR A 38 0.565 -13.580 -7.082 1.00 0.00 N ATOM 538 CA THR A 38 0.360 -13.240 -8.492 1.00 0.00 C ATOM 539 C THR A 38 0.532 -11.749 -8.787 1.00 0.00 C ATOM 540 O THR A 38 0.906 -11.372 -9.898 1.00 0.00 O ATOM 541 CB THR A 38 -1.032 -13.678 -8.975 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.049 -13.205 -8.080 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.105 -15.179 -9.093 1.00 0.00 C ATOM 0 H THR A 38 -0.270 -13.482 -6.504 1.00 0.00 H new ATOM 0 HA THR A 38 1.135 -13.783 -9.033 1.00 0.00 H new ATOM 0 HB THR A 38 -1.202 -13.242 -9.959 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.929 -13.492 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.098 -15.469 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.359 -15.524 -9.808 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.911 -15.630 -8.120 1.00 0.00 H new ATOM 551 N GLY A 39 0.255 -10.899 -7.810 1.00 0.00 N ATOM 552 CA GLY A 39 0.372 -9.477 -8.026 1.00 0.00 C ATOM 553 C GLY A 39 0.287 -8.714 -6.734 1.00 0.00 C ATOM 554 O GLY A 39 0.414 -9.309 -5.673 1.00 0.00 O ATOM 0 H GLY A 39 -0.048 -11.170 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.321 -9.259 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.418 -9.144 -8.699 1.00 0.00 H new ATOM 558 N TYR A 40 0.055 -7.412 -6.820 1.00 0.00 N ATOM 559 CA TYR A 40 -0.152 -6.575 -5.644 1.00 0.00 C ATOM 560 C TYR A 40 -1.242 -5.554 -5.883 1.00 0.00 C ATOM 561 O TYR A 40 -1.278 -4.904 -6.930 1.00 0.00 O ATOM 562 CB TYR A 40 1.117 -5.814 -5.263 1.00 0.00 C ATOM 563 CG TYR A 40 2.028 -6.560 -4.322 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.471 -7.835 -4.614 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.444 -5.983 -3.132 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.303 -8.513 -3.760 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.277 -6.658 -2.275 1.00 0.00 C ATOM 568 CZ TYR A 40 3.705 -7.917 -2.594 1.00 0.00 C ATOM 569 OH TYR A 40 4.539 -8.580 -1.744 1.00 0.00 O ATOM 0 H TYR A 40 0.005 -6.906 -7.704 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.436 -7.251 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.670 -5.574 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.835 -4.867 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.156 -8.307 -5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.108 -4.989 -2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.639 -9.510 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.593 -6.196 -1.351 1.00 0.00 H new ATOM 0 HH TYR A 40 5.147 -9.150 -2.260 1.00 0.00 H new ATOM 579 N ARG A 41 -2.136 -5.424 -4.921 1.00 0.00 N ATOM 580 CA ARG A 41 -3.058 -4.301 -4.901 1.00 0.00 C ATOM 581 C ARG A 41 -2.626 -3.341 -3.825 1.00 0.00 C ATOM 582 O ARG A 41 -2.045 -3.749 -2.838 1.00 0.00 O ATOM 583 CB ARG A 41 -4.468 -4.754 -4.614 1.00 0.00 C ATOM 584 CG ARG A 41 -4.781 -6.109 -5.210 1.00 0.00 C ATOM 585 CD ARG A 41 -4.836 -6.070 -6.730 1.00 0.00 C ATOM 586 NE ARG A 41 -5.842 -5.130 -7.223 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.484 -5.259 -8.381 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.244 -6.298 -9.176 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.375 -4.346 -8.736 1.00 0.00 N ATOM 0 H ARG A 41 -2.244 -6.078 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.043 -3.823 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.620 -4.793 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.169 -4.018 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.024 -6.827 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.737 -6.462 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.858 -5.790 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.057 -7.068 -7.109 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.066 -4.323 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.563 -7.005 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.741 -6.388 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.564 -3.553 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.872 -4.436 -9.622 1.00 0.00 H new ATOM 603 N ILE A 42 -2.861 -2.070 -4.021 1.00 0.00 N ATOM 604 CA ILE A 42 -2.417 -1.088 -3.042 1.00 0.00 C ATOM 605 C ILE A 42 -3.452 -0.019 -2.786 1.00 0.00 C ATOM 606 O ILE A 42 -3.637 0.862 -3.604 1.00 0.00 O ATOM 607 CB ILE A 42 -1.107 -0.429 -3.507 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.118 -1.505 -3.938 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.516 0.430 -2.399 1.00 0.00 C ATOM 610 CD1 ILE A 42 1.074 -0.980 -4.684 1.00 0.00 C ATOM 0 H ILE A 42 -3.348 -1.686 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.256 -1.624 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.319 0.219 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.228 -2.041 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.637 -2.229 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.410 0.887 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.226 1.211 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.308 -0.192 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.728 -1.809 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.742 -0.470 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.619 -0.279 -4.052 1.00 0.00 H new ATOM 622 N VAL A 43 -4.070 -0.054 -1.613 1.00 0.00 N ATOM 623 CA VAL A 43 -5.112 0.911 -1.285 1.00 0.00 C ATOM 624 C VAL A 43 -4.638 1.867 -0.204 1.00 0.00 C ATOM 625 O VAL A 43 -4.447 1.479 0.943 1.00 0.00 O ATOM 626 CB VAL A 43 -6.425 0.236 -0.825 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.430 1.271 -0.360 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.018 -0.606 -1.940 1.00 0.00 C ATOM 0 H VAL A 43 -3.871 -0.733 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.320 1.460 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.188 -0.418 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.345 0.772 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.013 1.833 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.655 1.953 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.941 -1.071 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.232 0.028 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.307 -1.381 -2.228 1.00 0.00 H new ATOM 638 N TYR A 44 -4.446 3.111 -0.585 1.00 0.00 N ATOM 639 CA TYR A 44 -4.028 4.134 0.343 1.00 0.00 C ATOM 640 C TYR A 44 -5.086 5.200 0.464 1.00 0.00 C ATOM 641 O TYR A 44 -5.570 5.752 -0.536 1.00 0.00 O ATOM 642 CB TYR A 44 -2.668 4.726 -0.044 1.00 0.00 C ATOM 643 CG TYR A 44 -2.444 4.882 -1.531 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.163 3.776 -2.321 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.490 6.127 -2.137 1.00 0.00 C ATOM 646 CE1 TYR A 44 -1.939 3.898 -3.673 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.262 6.265 -3.489 1.00 0.00 C ATOM 648 CZ TYR A 44 -1.987 5.151 -4.253 1.00 0.00 C ATOM 649 OH TYR A 44 -1.750 5.300 -5.598 1.00 0.00 O ATOM 0 H TYR A 44 -4.575 3.439 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.902 3.672 1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.565 5.703 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.882 4.090 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.119 2.798 -1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.708 7.001 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.728 3.025 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.299 7.242 -3.948 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.131 6.149 -5.905 1.00 0.00 H new ATOM 659 N SER A 45 -5.455 5.442 1.707 1.00 0.00 N ATOM 660 CA SER A 45 -6.534 6.359 2.036 1.00 0.00 C ATOM 661 C SER A 45 -6.301 7.022 3.395 1.00 0.00 C ATOM 662 O SER A 45 -5.788 6.393 4.319 1.00 0.00 O ATOM 663 CB SER A 45 -7.855 5.592 2.052 1.00 0.00 C ATOM 664 OG SER A 45 -7.769 4.432 2.865 1.00 0.00 O ATOM 0 H SER A 45 -5.016 5.009 2.519 1.00 0.00 H new ATOM 0 HA SER A 45 -6.567 7.144 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.649 6.240 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.124 5.307 1.035 1.00 0.00 H new ATOM 0 HG SER A 45 -8.629 3.963 2.857 1.00 0.00 H new ATOM 670 N PRO A 46 -6.684 8.305 3.531 1.00 0.00 N ATOM 671 CA PRO A 46 -6.580 9.045 4.798 1.00 0.00 C ATOM 672 C PRO A 46 -7.376 8.376 5.911 1.00 0.00 C ATOM 673 O PRO A 46 -8.414 7.760 5.665 1.00 0.00 O ATOM 674 CB PRO A 46 -7.182 10.404 4.479 1.00 0.00 C ATOM 675 CG PRO A 46 -7.118 10.525 2.998 1.00 0.00 C ATOM 676 CD PRO A 46 -7.263 9.134 2.463 1.00 0.00 C ATOM 0 HA PRO A 46 -5.550 9.095 5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.210 10.472 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.623 11.205 4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.912 11.171 2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.173 10.967 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.307 8.880 2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.731 9.007 1.520 1.00 0.00 H new ATOM 744 N SER A 52 -8.482 8.627 -2.036 1.00 0.00 N ATOM 745 CA SER A 52 -8.023 7.254 -1.890 1.00 0.00 C ATOM 746 C SER A 52 -7.670 6.671 -3.245 1.00 0.00 C ATOM 747 O SER A 52 -8.375 6.901 -4.231 1.00 0.00 O ATOM 748 CB SER A 52 -9.106 6.410 -1.222 1.00 0.00 C ATOM 749 OG SER A 52 -9.643 7.085 -0.095 1.00 0.00 O ATOM 0 HA SER A 52 -7.131 7.247 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.900 6.196 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.689 5.451 -0.913 1.00 0.00 H new ATOM 0 HG SER A 52 -9.591 8.053 -0.238 1.00 0.00 H new ATOM 755 N THR A 53 -6.587 5.914 -3.301 1.00 0.00 N ATOM 756 CA THR A 53 -6.143 5.353 -4.565 1.00 0.00 C ATOM 757 C THR A 53 -5.654 3.913 -4.395 1.00 0.00 C ATOM 758 O THR A 53 -5.092 3.559 -3.361 1.00 0.00 O ATOM 759 CB THR A 53 -5.017 6.215 -5.177 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.381 7.603 -5.157 1.00 0.00 O ATOM 761 CG2 THR A 53 -4.723 5.791 -6.606 1.00 0.00 C ATOM 0 H THR A 53 -6.006 5.676 -2.497 1.00 0.00 H new ATOM 0 HA THR A 53 -6.999 5.349 -5.239 1.00 0.00 H new ATOM 0 HB THR A 53 -4.121 6.067 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.574 8.154 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.927 6.414 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.410 4.747 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.621 5.908 -7.212 1.00 0.00 H new ATOM 769 N GLU A 54 -5.900 3.091 -5.407 1.00 0.00 N ATOM 770 CA GLU A 54 -5.404 1.734 -5.454 1.00 0.00 C ATOM 771 C GLU A 54 -4.483 1.568 -6.654 1.00 0.00 C ATOM 772 O GLU A 54 -4.873 1.868 -7.783 1.00 0.00 O ATOM 773 CB GLU A 54 -6.559 0.738 -5.561 1.00 0.00 C ATOM 774 CG GLU A 54 -6.110 -0.716 -5.612 1.00 0.00 C ATOM 775 CD GLU A 54 -7.231 -1.667 -5.978 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.391 -1.214 -6.093 1.00 0.00 O ATOM 777 OE2 GLU A 54 -6.956 -2.872 -6.167 1.00 0.00 O ATOM 0 H GLU A 54 -6.454 3.355 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.854 1.536 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.225 0.874 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.138 0.962 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.303 -0.817 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.702 -0.999 -4.642 1.00 0.00 H new ATOM 784 N LEU A 55 -3.259 1.122 -6.418 1.00 0.00 N ATOM 785 CA LEU A 55 -2.361 0.809 -7.517 1.00 0.00 C ATOM 786 C LEU A 55 -2.218 -0.693 -7.663 1.00 0.00 C ATOM 787 O LEU A 55 -2.487 -1.446 -6.727 1.00 0.00 O ATOM 788 CB LEU A 55 -0.983 1.490 -7.374 1.00 0.00 C ATOM 789 CG LEU A 55 -1.027 3.016 -7.454 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.345 3.589 -7.740 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.023 3.491 -8.505 1.00 0.00 C ATOM 0 H LEU A 55 -2.869 0.970 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.807 1.213 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.544 1.200 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.322 1.115 -8.156 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.358 3.379 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.282 4.676 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.032 3.302 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.710 3.202 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.028 4.581 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.734 3.103 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.020 3.130 -8.251 1.00 0.00 H new ATOM 803 N ASN A 56 -1.847 -1.118 -8.853 1.00 0.00 N ATOM 804 CA ASN A 56 -1.642 -2.526 -9.136 1.00 0.00 C ATOM 805 C ASN A 56 -0.204 -2.755 -9.560 1.00 0.00 C ATOM 806 O ASN A 56 0.235 -2.246 -10.593 1.00 0.00 O ATOM 807 CB ASN A 56 -2.604 -3.002 -10.231 1.00 0.00 C ATOM 808 CG ASN A 56 -2.387 -4.455 -10.610 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.633 -4.765 -11.533 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.051 -5.358 -9.908 1.00 0.00 N ATOM 0 H ASN A 56 -1.679 -0.502 -9.648 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.845 -3.102 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.631 -2.869 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.479 -2.377 -11.116 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.947 -6.349 -10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.667 -5.063 -9.150 1.00 0.00 H new ATOM 817 N LEU A 57 0.528 -3.508 -8.758 1.00 0.00 N ATOM 818 CA LEU A 57 1.928 -3.765 -9.023 1.00 0.00 C ATOM 819 C LEU A 57 2.109 -5.236 -9.321 1.00 0.00 C ATOM 820 O LEU A 57 1.251 -6.047 -8.989 1.00 0.00 O ATOM 821 CB LEU A 57 2.812 -3.352 -7.827 1.00 0.00 C ATOM 822 CG LEU A 57 2.945 -1.852 -7.566 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.293 -1.553 -6.955 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.763 -1.046 -8.830 1.00 0.00 C ATOM 0 H LEU A 57 0.171 -3.954 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 57 2.238 -3.169 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.411 -3.821 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.810 -3.762 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 57 2.156 -1.564 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.380 -0.482 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.393 -2.091 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.081 -1.869 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.865 0.015 -8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.521 -1.335 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.772 -1.235 -9.243 1.00 0.00 H new ATOM 836 N PRO A 58 3.195 -5.598 -9.996 1.00 0.00 N ATOM 837 CA PRO A 58 3.518 -6.995 -10.225 1.00 0.00 C ATOM 838 C PRO A 58 3.920 -7.689 -8.927 1.00 0.00 C ATOM 839 O PRO A 58 4.436 -7.063 -8.004 1.00 0.00 O ATOM 840 CB PRO A 58 4.690 -6.947 -11.212 1.00 0.00 C ATOM 841 CG PRO A 58 5.278 -5.585 -11.072 1.00 0.00 C ATOM 842 CD PRO A 58 4.170 -4.679 -10.607 1.00 0.00 C ATOM 0 HA PRO A 58 2.670 -7.562 -10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.427 -7.717 -10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.350 -7.124 -12.232 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.099 -5.590 -10.356 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.686 -5.240 -12.022 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.531 -3.943 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.731 -4.125 -11.437 1.00 0.00 H new ATOM 850 N GLU A 59 3.634 -8.985 -8.875 1.00 0.00 N ATOM 851 CA GLU A 59 3.972 -9.859 -7.740 1.00 0.00 C ATOM 852 C GLU A 59 5.408 -9.679 -7.252 1.00 0.00 C ATOM 853 O GLU A 59 5.720 -9.954 -6.097 1.00 0.00 O ATOM 854 CB GLU A 59 3.779 -11.315 -8.158 1.00 0.00 C ATOM 855 CG GLU A 59 4.538 -11.688 -9.423 1.00 0.00 C ATOM 856 CD GLU A 59 4.348 -13.136 -9.814 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.401 -13.435 -10.571 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.152 -13.982 -9.377 1.00 0.00 O ATOM 0 H GLU A 59 3.152 -9.474 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 59 3.310 -9.585 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.103 -11.964 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.716 -11.503 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.207 -11.049 -10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.600 -11.493 -9.275 1.00 0.00 H new ATOM 865 N THR A 60 6.264 -9.221 -8.141 1.00 0.00 N ATOM 866 CA THR A 60 7.684 -9.103 -7.859 1.00 0.00 C ATOM 867 C THR A 60 8.082 -7.643 -7.614 1.00 0.00 C ATOM 868 O THR A 60 9.266 -7.297 -7.623 1.00 0.00 O ATOM 869 CB THR A 60 8.515 -9.708 -9.017 1.00 0.00 C ATOM 870 OG1 THR A 60 9.919 -9.621 -8.743 1.00 0.00 O ATOM 871 CG2 THR A 60 8.205 -9.009 -10.333 1.00 0.00 C ATOM 0 H THR A 60 5.998 -8.920 -9.079 1.00 0.00 H new ATOM 0 HA THR A 60 7.895 -9.663 -6.948 1.00 0.00 H new ATOM 0 HB THR A 60 8.239 -10.759 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.114 -8.769 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.802 -9.453 -11.130 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.146 -9.124 -10.565 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.445 -7.949 -10.247 1.00 0.00 H new ATOM 879 N ALA A 61 7.092 -6.788 -7.386 1.00 0.00 N ATOM 880 CA ALA A 61 7.351 -5.381 -7.103 1.00 0.00 C ATOM 881 C ALA A 61 7.641 -5.193 -5.624 1.00 0.00 C ATOM 882 O ALA A 61 7.322 -6.063 -4.811 1.00 0.00 O ATOM 883 CB ALA A 61 6.173 -4.519 -7.522 1.00 0.00 C ATOM 0 H ALA A 61 6.105 -7.043 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 61 8.222 -5.069 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.390 -3.474 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.000 -4.635 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.283 -4.828 -6.974 1.00 0.00 H new ATOM 889 N ASN A 62 8.239 -4.066 -5.271 1.00 0.00 N ATOM 890 CA ASN A 62 8.616 -3.827 -3.888 1.00 0.00 C ATOM 891 C ASN A 62 8.407 -2.379 -3.470 1.00 0.00 C ATOM 892 O ASN A 62 8.855 -1.983 -2.401 1.00 0.00 O ATOM 893 CB ASN A 62 10.080 -4.201 -3.656 1.00 0.00 C ATOM 894 CG ASN A 62 11.055 -3.225 -4.298 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.762 -2.612 -5.324 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.228 -3.083 -3.701 1.00 0.00 N ATOM 0 H ASN A 62 8.471 -3.310 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 62 7.966 -4.456 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.272 -4.245 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.261 -5.200 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.925 -2.448 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.435 -3.608 -2.851 1.00 0.00 H new ATOM 903 N SER A 63 7.737 -1.587 -4.291 1.00 0.00 N ATOM 904 CA SER A 63 7.561 -0.182 -3.965 1.00 0.00 C ATOM 905 C SER A 63 6.519 0.480 -4.860 1.00 0.00 C ATOM 906 O SER A 63 6.500 0.263 -6.069 1.00 0.00 O ATOM 907 CB SER A 63 8.902 0.548 -4.090 1.00 0.00 C ATOM 908 OG SER A 63 9.521 0.282 -5.340 1.00 0.00 O ATOM 0 H SER A 63 7.314 -1.885 -5.170 1.00 0.00 H new ATOM 0 HA SER A 63 7.201 -0.117 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.746 1.621 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.564 0.238 -3.281 1.00 0.00 H new ATOM 0 HG SER A 63 9.920 -0.613 -5.323 1.00 0.00 H new ATOM 914 N VAL A 64 5.661 1.292 -4.260 1.00 0.00 N ATOM 915 CA VAL A 64 4.647 2.023 -5.007 1.00 0.00 C ATOM 916 C VAL A 64 4.811 3.526 -4.814 1.00 0.00 C ATOM 917 O VAL A 64 5.096 3.995 -3.694 1.00 0.00 O ATOM 918 CB VAL A 64 3.204 1.627 -4.598 1.00 0.00 C ATOM 919 CG1 VAL A 64 3.035 1.683 -3.108 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.196 2.511 -5.267 1.00 0.00 C ATOM 0 H VAL A 64 5.647 1.462 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 64 4.793 1.758 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 64 3.036 0.601 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.015 1.401 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.734 0.993 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.233 2.696 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.192 2.213 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.370 3.547 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.291 2.417 -6.349 1.00 0.00 H new ATOM 930 N THR A 65 4.671 4.261 -5.913 1.00 0.00 N ATOM 931 CA THR A 65 4.518 5.688 -5.876 1.00 0.00 C ATOM 932 C THR A 65 3.030 6.033 -5.799 1.00 0.00 C ATOM 933 O THR A 65 2.304 5.981 -6.792 1.00 0.00 O ATOM 934 CB THR A 65 5.137 6.298 -7.139 1.00 0.00 C ATOM 935 OG1 THR A 65 6.560 6.108 -7.130 1.00 0.00 O ATOM 936 CG2 THR A 65 4.812 7.783 -7.265 1.00 0.00 C ATOM 0 H THR A 65 4.662 3.868 -6.854 1.00 0.00 H new ATOM 0 HA THR A 65 5.025 6.094 -5.000 1.00 0.00 H new ATOM 0 HB THR A 65 4.706 5.787 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.947 6.499 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.268 8.180 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.731 7.916 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.204 8.316 -6.399 1.00 0.00 H new ATOM 944 N LEU A 66 2.595 6.354 -4.602 1.00 0.00 N ATOM 945 CA LEU A 66 1.222 6.725 -4.326 1.00 0.00 C ATOM 946 C LEU A 66 0.978 8.141 -4.797 1.00 0.00 C ATOM 947 O LEU A 66 1.767 9.044 -4.483 1.00 0.00 O ATOM 948 CB LEU A 66 0.957 6.666 -2.832 1.00 0.00 C ATOM 949 CG LEU A 66 1.818 5.694 -2.048 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.850 6.098 -0.602 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.289 4.285 -2.204 1.00 0.00 C ATOM 0 H LEU A 66 3.194 6.365 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 66 0.561 6.032 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.098 7.664 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.089 6.402 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 66 2.836 5.718 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.469 5.397 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.267 7.101 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.837 6.089 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.915 3.596 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.266 4.237 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.304 4.005 -3.257 1.00 0.00 H new ATOM 963 N SER A 67 -0.128 8.338 -5.496 1.00 0.00 N ATOM 964 CA SER A 67 -0.421 9.615 -6.111 1.00 0.00 C ATOM 965 C SER A 67 -1.817 10.085 -5.726 1.00 0.00 C ATOM 966 O SER A 67 -2.654 9.283 -5.296 1.00 0.00 O ATOM 967 CB SER A 67 -0.280 9.502 -7.632 1.00 0.00 C ATOM 968 OG SER A 67 -0.931 8.341 -8.125 1.00 0.00 O ATOM 0 H SER A 67 -0.839 7.623 -5.650 1.00 0.00 H new ATOM 0 HA SER A 67 0.292 10.356 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.703 10.388 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.776 9.471 -7.900 1.00 0.00 H new ATOM 0 HG SER A 67 -0.826 8.296 -9.098 1.00 0.00 H new ATOM 974 N ASP A 68 -2.045 11.388 -5.874 1.00 0.00 N ATOM 975 CA ASP A 68 -3.315 12.017 -5.514 1.00 0.00 C ATOM 976 C ASP A 68 -3.563 11.937 -4.017 1.00 0.00 C ATOM 977 O ASP A 68 -4.610 11.472 -3.573 1.00 0.00 O ATOM 978 CB ASP A 68 -4.493 11.407 -6.282 1.00 0.00 C ATOM 979 CG ASP A 68 -4.827 12.182 -7.539 1.00 0.00 C ATOM 980 OD1 ASP A 68 -5.488 13.237 -7.430 1.00 0.00 O ATOM 981 OD2 ASP A 68 -4.443 11.740 -8.644 1.00 0.00 O ATOM 0 H ASP A 68 -1.354 12.039 -6.247 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.240 13.067 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.256 10.376 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.369 11.377 -5.634 1.00 0.00 H new ATOM 986 N LEU A 69 -2.581 12.375 -3.241 1.00 0.00 N ATOM 987 CA LEU A 69 -2.758 12.504 -1.802 1.00 0.00 C ATOM 988 C LEU A 69 -3.158 13.933 -1.473 1.00 0.00 C ATOM 989 O LEU A 69 -3.385 14.741 -2.369 1.00 0.00 O ATOM 990 CB LEU A 69 -1.487 12.163 -1.016 1.00 0.00 C ATOM 991 CG LEU A 69 -0.629 11.033 -1.548 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.568 10.850 -0.647 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.440 9.759 -1.595 1.00 0.00 C ATOM 0 H LEU A 69 -1.658 12.646 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.533 11.795 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.870 13.060 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.777 11.916 0.005 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.289 11.273 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.188 10.038 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.150 11.771 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.231 10.609 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.821 8.948 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.785 9.510 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.300 9.899 -2.250 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.271 14.228 -0.190 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.558 15.578 0.263 1.00 0.00 C ATOM 1007 C GLN A 70 -2.523 15.994 1.295 1.00 0.00 C ATOM 1008 O GLN A 70 -2.221 15.226 2.209 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.952 15.659 0.883 1.00 0.00 C ATOM 1010 CG GLN A 70 -6.081 15.264 -0.052 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.343 16.297 -1.134 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.438 17.010 -1.569 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.587 16.389 -1.571 1.00 0.00 N ATOM 0 H GLN A 70 -3.168 13.546 0.561 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.520 16.248 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.983 15.015 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.123 16.678 1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.841 14.309 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.991 15.115 0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.309 15.780 -1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.825 17.069 -2.294 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.958 17.203 1.154 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.937 17.718 2.075 1.00 0.00 C ATOM 1024 C PRO A 71 -1.472 17.948 3.485 1.00 0.00 C ATOM 1025 O PRO A 71 -2.544 18.526 3.667 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.514 19.041 1.447 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.648 19.442 0.567 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.269 18.165 0.081 1.00 0.00 C ATOM 0 HA PRO A 71 -0.119 17.008 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.324 19.795 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.407 18.928 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.373 20.044 1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.298 20.048 -0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.344 18.271 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.848 17.851 -0.874 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.721 17.484 4.480 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.124 17.654 5.860 1.00 0.00 C ATOM 1038 C GLY A 72 -2.199 16.666 6.261 1.00 0.00 C ATOM 1039 O GLY A 72 -3.025 16.953 7.129 1.00 0.00 O ATOM 0 H GLY A 72 0.163 16.992 4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.257 17.530 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.491 18.670 6.008 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.191 15.504 5.620 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.188 14.470 5.869 1.00 0.00 C ATOM 1045 C VAL A 73 -2.511 13.114 6.068 1.00 0.00 C ATOM 1046 O VAL A 73 -1.524 12.792 5.400 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.221 14.394 4.716 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.225 13.296 4.961 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.986 15.688 4.604 1.00 0.00 C ATOM 0 H VAL A 73 -1.497 15.252 4.916 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.723 14.734 6.781 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.663 14.197 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.938 13.265 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.708 12.339 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.756 13.490 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.706 15.615 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.513 15.881 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.292 16.505 4.403 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.045 12.333 6.998 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.479 11.059 7.377 1.00 0.00 C ATOM 1061 C GLN A 74 -2.962 9.967 6.431 1.00 0.00 C ATOM 1062 O GLN A 74 -4.143 9.621 6.428 1.00 0.00 O ATOM 1063 CB GLN A 74 -2.922 10.766 8.799 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.479 9.415 9.332 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.127 9.476 10.016 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -0.059 9.265 9.265 1.00 0.00 O flip ATOM 1067 NE2 GLN A 74 -1.044 9.713 11.216 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.892 12.575 7.512 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.391 11.089 7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.534 11.546 9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.010 10.822 8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.223 9.044 10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.435 8.700 8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.889 9.871 11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.129 9.752 11.666 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.056 9.431 5.628 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.433 8.432 4.643 1.00 0.00 C ATOM 1078 C TYR A 75 -2.052 7.031 5.080 1.00 0.00 C ATOM 1079 O TYR A 75 -0.910 6.766 5.452 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.819 8.753 3.283 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.712 9.626 2.440 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.820 10.988 2.683 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.472 9.077 1.419 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.664 11.778 1.927 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.310 9.861 0.657 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.406 11.209 0.916 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.259 11.991 0.170 1.00 0.00 O ATOM 0 H TYR A 75 -1.064 9.669 5.639 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.519 8.463 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.861 9.252 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.617 7.824 2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.236 11.436 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.406 8.018 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.742 12.836 2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.889 9.419 -0.140 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.707 11.437 -0.503 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.031 6.148 5.045 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.822 4.747 5.352 1.00 0.00 C ATOM 1099 C ASN A 76 -2.606 3.979 4.063 1.00 0.00 C ATOM 1100 O ASN A 76 -3.523 3.855 3.248 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.030 4.169 6.091 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.231 4.769 7.467 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.753 4.081 8.492 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -4.838 5.829 7.610 1.00 0.00 N flip ATOM 0 H ASN A 76 -3.994 6.382 4.803 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.945 4.656 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.927 4.336 5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.907 3.090 6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.191 6.329 6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.989 6.208 8.545 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.390 3.502 3.869 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.063 2.686 2.716 1.00 0.00 C ATOM 1113 C ILE A 77 -1.234 1.229 3.064 1.00 0.00 C ATOM 1114 O ILE A 77 -0.574 0.708 3.964 1.00 0.00 O ATOM 1115 CB ILE A 77 0.379 2.914 2.217 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.608 4.352 1.789 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.725 1.996 1.057 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.981 5.292 2.917 1.00 0.00 C ATOM 0 H ILE A 77 -0.607 3.668 4.501 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.742 2.978 1.915 1.00 0.00 H new ATOM 0 HB ILE A 77 1.029 2.685 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.399 4.373 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.297 4.723 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.748 2.187 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.633 0.957 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.042 2.184 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.126 6.297 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.182 5.306 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.904 4.950 3.385 1.00 0.00 H new ATOM 1130 N THR A 78 -2.137 0.592 2.364 1.00 0.00 N ATOM 1131 CA THR A 78 -2.419 -0.789 2.583 1.00 0.00 C ATOM 1132 C THR A 78 -1.894 -1.626 1.416 1.00 0.00 C ATOM 1133 O THR A 78 -2.386 -1.499 0.284 1.00 0.00 O ATOM 1134 CB THR A 78 -3.927 -0.982 2.741 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.435 -0.084 3.743 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.256 -2.412 3.132 1.00 0.00 C ATOM 0 H THR A 78 -2.694 1.024 1.627 1.00 0.00 H new ATOM 0 HA THR A 78 -1.920 -1.119 3.494 1.00 0.00 H new ATOM 0 HB THR A 78 -4.397 -0.767 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.402 -0.212 3.837 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.335 -2.521 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.896 -3.092 2.360 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.773 -2.650 4.079 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.894 -2.468 1.686 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.314 -3.313 0.629 1.00 0.00 C ATOM 1146 C ILE A 79 -0.980 -4.687 0.650 1.00 0.00 C ATOM 1147 O ILE A 79 -1.143 -5.291 1.708 1.00 0.00 O ATOM 1148 CB ILE A 79 1.228 -3.544 0.740 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.055 -2.282 0.950 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.755 -4.201 -0.506 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.711 -1.130 0.046 1.00 0.00 C ATOM 0 H ILE A 79 -0.473 -2.585 2.607 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.494 -2.767 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 79 1.336 -4.171 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.938 -1.958 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.107 -2.530 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.830 -4.354 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.263 -5.163 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.555 -3.563 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.356 -0.282 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.858 -1.426 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.670 -0.846 0.199 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.364 -5.169 -0.517 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.003 -6.467 -0.651 1.00 0.00 C ATOM 1165 C TYR A 80 -1.191 -7.366 -1.582 1.00 0.00 C ATOM 1166 O TYR A 80 -1.130 -7.108 -2.792 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.403 -6.314 -1.260 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.345 -5.385 -0.525 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.409 -4.024 -0.831 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.202 -5.878 0.449 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.299 -3.195 -0.181 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.090 -5.049 1.107 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.136 -3.711 0.786 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.029 -2.882 1.429 1.00 0.00 O ATOM 0 H TYR A 80 -1.242 -4.673 -1.400 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.067 -6.907 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.296 -5.956 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.865 -7.300 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.753 -3.616 -1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.174 -6.929 0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.340 -2.145 -0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.744 -5.448 1.868 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.546 -3.400 2.081 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.590 -8.418 -1.030 1.00 0.00 N ATOM 1185 CA ALA A 81 0.056 -9.442 -1.847 1.00 0.00 C ATOM 1186 C ALA A 81 -1.017 -10.398 -2.351 1.00 0.00 C ATOM 1187 O ALA A 81 -1.592 -11.161 -1.574 1.00 0.00 O ATOM 1188 CB ALA A 81 1.126 -10.195 -1.049 1.00 0.00 C ATOM 0 H ALA A 81 -0.537 -8.583 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 81 0.561 -8.971 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.589 -10.950 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.886 -9.493 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.665 -10.678 -0.188 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.307 -10.344 -3.641 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.432 -11.119 -4.175 1.00 0.00 C ATOM 1196 C VAL A 82 -1.954 -12.384 -4.860 1.00 0.00 C ATOM 1197 O VAL A 82 -0.980 -12.356 -5.590 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.328 -10.311 -5.154 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.554 -9.792 -6.341 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.489 -11.158 -5.644 1.00 0.00 C ATOM 0 H VAL A 82 -0.798 -9.789 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.042 -11.377 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.707 -9.455 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.223 -9.234 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.755 -9.136 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.124 -10.630 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.103 -10.573 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.105 -12.037 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.093 -11.474 -4.794 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.659 -13.478 -4.618 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.357 -14.773 -5.191 1.00 0.00 C ATOM 1212 C GLU A 83 -3.551 -15.178 -6.069 1.00 0.00 C ATOM 1213 O GLU A 83 -4.592 -14.527 -5.995 1.00 0.00 O ATOM 1214 CB GLU A 83 -2.097 -15.745 -4.033 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.566 -17.120 -4.389 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.613 -18.072 -4.924 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.725 -18.132 -4.353 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -2.326 -18.770 -5.915 1.00 0.00 O ATOM 0 H GLU A 83 -3.474 -13.487 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.468 -14.770 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.389 -15.276 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.030 -15.875 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.777 -17.011 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.109 -17.561 -3.503 1.00 0.00 H new ATOM 1225 N GLU A 84 -3.404 -16.209 -6.901 1.00 0.00 N ATOM 1226 CA GLU A 84 -4.445 -16.602 -7.863 1.00 0.00 C ATOM 1227 C GLU A 84 -5.846 -16.655 -7.243 1.00 0.00 C ATOM 1228 O GLU A 84 -6.819 -16.230 -7.868 1.00 0.00 O ATOM 1229 CB GLU A 84 -4.130 -17.971 -8.475 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.868 -18.003 -9.319 1.00 0.00 C ATOM 1231 CD GLU A 84 -2.657 -19.338 -10.007 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -3.511 -19.730 -10.828 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.638 -20.002 -9.727 1.00 0.00 O ATOM 0 H GLU A 84 -2.569 -16.794 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.444 -15.830 -8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.034 -18.702 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.973 -18.283 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.919 -17.216 -10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.007 -17.785 -8.687 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.950 -17.175 -6.026 1.00 0.00 N ATOM 1241 CA ASN A 85 -7.255 -17.409 -5.412 1.00 0.00 C ATOM 1242 C ASN A 85 -7.533 -16.444 -4.258 1.00 0.00 C ATOM 1243 O ASN A 85 -8.675 -16.044 -4.027 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.316 -18.857 -4.904 1.00 0.00 C ATOM 1245 CG ASN A 85 -8.713 -19.327 -4.517 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -9.567 -18.548 -4.099 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -8.946 -20.622 -4.649 1.00 0.00 N ATOM 0 H ASN A 85 -5.154 -17.442 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.020 -17.236 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.924 -19.518 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.660 -18.954 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.859 -21.004 -4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.213 -21.239 -4.999 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.490 -16.050 -3.552 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.656 -15.394 -2.272 1.00 0.00 C ATOM 1256 C GLN A 86 -5.772 -14.167 -2.169 1.00 0.00 C ATOM 1257 O GLN A 86 -5.017 -13.870 -3.077 1.00 0.00 O ATOM 1258 CB GLN A 86 -6.305 -16.396 -1.186 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.878 -16.905 -1.291 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.627 -18.147 -0.463 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.232 -18.351 0.589 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -3.736 -18.994 -0.948 1.00 0.00 N ATOM 0 H GLN A 86 -5.521 -16.173 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.687 -15.057 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.449 -15.932 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.992 -17.241 -1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.651 -17.120 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.194 -16.119 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.258 -18.785 -1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.527 -19.857 -0.446 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.886 -13.453 -1.067 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.046 -12.294 -0.812 1.00 0.00 C ATOM 1273 C GLU A 87 -4.462 -12.398 0.583 1.00 0.00 C ATOM 1274 O GLU A 87 -5.167 -12.749 1.532 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.848 -10.998 -0.949 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.388 -10.760 -2.350 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.200 -9.488 -2.449 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.229 -9.383 -1.748 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -6.824 -8.592 -3.230 1.00 0.00 O ATOM 0 H GLU A 87 -6.557 -13.656 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.242 -12.273 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.681 -11.021 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.215 -10.157 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.557 -10.712 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.007 -11.607 -2.646 1.00 0.00 H new ATOM 1286 N SER A 88 -3.172 -12.115 0.701 1.00 0.00 N ATOM 1287 CA SER A 88 -2.489 -12.173 1.981 1.00 0.00 C ATOM 1288 C SER A 88 -3.025 -11.108 2.929 1.00 0.00 C ATOM 1289 O SER A 88 -3.795 -10.230 2.521 1.00 0.00 O ATOM 1290 CB SER A 88 -0.987 -11.964 1.781 1.00 0.00 C ATOM 1291 OG SER A 88 -0.471 -12.849 0.804 1.00 0.00 O ATOM 0 H SER A 88 -2.577 -11.842 -0.081 1.00 0.00 H new ATOM 0 HA SER A 88 -2.668 -13.155 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.798 -10.934 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.467 -12.119 2.726 1.00 0.00 H new ATOM 0 HG SER A 88 -0.691 -12.513 -0.090 1.00 0.00 H new ATOM 1297 N THR A 89 -2.618 -11.190 4.190 1.00 0.00 N ATOM 1298 CA THR A 89 -2.941 -10.159 5.162 1.00 0.00 C ATOM 1299 C THR A 89 -2.488 -8.791 4.649 1.00 0.00 C ATOM 1300 O THR A 89 -1.588 -8.697 3.815 1.00 0.00 O ATOM 1301 CB THR A 89 -2.286 -10.467 6.523 1.00 0.00 C ATOM 1302 OG1 THR A 89 -1.008 -11.091 6.328 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.177 -11.373 7.358 1.00 0.00 C ATOM 0 H THR A 89 -2.063 -11.961 4.561 1.00 0.00 H new ATOM 0 HA THR A 89 -4.022 -10.142 5.301 1.00 0.00 H new ATOM 0 HB THR A 89 -2.149 -9.526 7.055 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.600 -11.281 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.695 -11.577 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.134 -10.882 7.532 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.342 -12.311 6.827 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.131 -7.712 5.092 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.824 -6.382 4.596 1.00 0.00 C ATOM 1313 C PRO A 90 -1.669 -5.701 5.334 1.00 0.00 C ATOM 1314 O PRO A 90 -1.516 -5.835 6.550 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.133 -5.631 4.840 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.734 -6.281 6.044 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.218 -7.696 6.088 1.00 0.00 C ATOM 0 HA PRO A 90 -2.493 -6.404 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.953 -4.570 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.797 -5.705 3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.458 -5.742 6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.822 -6.270 5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.853 -7.957 7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.999 -8.413 5.837 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.862 -4.980 4.571 1.00 0.00 N ATOM 1326 CA VAL A 91 0.111 -4.051 5.120 1.00 0.00 C ATOM 1327 C VAL A 91 -0.601 -2.764 5.431 1.00 0.00 C ATOM 1328 O VAL A 91 -1.210 -2.198 4.535 1.00 0.00 O ATOM 1329 CB VAL A 91 1.187 -3.684 4.094 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.834 -2.364 4.481 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.233 -4.768 3.956 1.00 0.00 C ATOM 0 H VAL A 91 -0.864 -5.023 3.552 1.00 0.00 H new ATOM 0 HA VAL A 91 0.567 -4.523 5.990 1.00 0.00 H new ATOM 0 HB VAL A 91 0.704 -3.582 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.599 -2.105 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.076 -1.581 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.291 -2.458 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.976 -4.465 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.721 -4.927 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.757 -5.694 3.633 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.535 -2.297 6.660 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.068 -0.988 6.962 1.00 0.00 C ATOM 1343 C VAL A 92 0.033 -0.093 7.512 1.00 0.00 C ATOM 1344 O VAL A 92 0.467 -0.256 8.653 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.236 -1.045 7.967 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -3.003 0.265 7.941 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.161 -2.216 7.668 1.00 0.00 C ATOM 0 H VAL A 92 -0.126 -2.794 7.451 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.456 -0.577 6.030 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.826 -1.195 8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.827 0.218 8.653 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.335 1.083 8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.398 0.435 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.975 -2.231 8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.571 -2.109 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.600 -3.148 7.733 1.00 0.00 H new ATOM 1357 N ILE A 93 0.486 0.840 6.692 1.00 0.00 N ATOM 1358 CA ILE A 93 1.492 1.807 7.109 1.00 0.00 C ATOM 1359 C ILE A 93 0.947 3.220 6.964 1.00 0.00 C ATOM 1360 O ILE A 93 0.680 3.685 5.858 1.00 0.00 O ATOM 1361 CB ILE A 93 2.817 1.664 6.317 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.555 1.491 4.826 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.626 0.492 6.855 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.773 1.762 3.980 1.00 0.00 C ATOM 0 H ILE A 93 0.172 0.950 5.728 1.00 0.00 H new ATOM 0 HA ILE A 93 1.720 1.605 8.156 1.00 0.00 H new ATOM 0 HB ILE A 93 3.391 2.581 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.208 0.475 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.752 2.163 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.554 0.401 6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.856 0.661 7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.048 -0.427 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.524 1.623 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.107 2.787 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.570 1.073 4.258 1.00 0.00 H new ATOM 1376 N GLN A 94 0.756 3.893 8.085 1.00 0.00 N ATOM 1377 CA GLN A 94 0.179 5.224 8.073 1.00 0.00 C ATOM 1378 C GLN A 94 1.259 6.286 8.189 1.00 0.00 C ATOM 1379 O GLN A 94 1.987 6.355 9.179 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.861 5.376 9.185 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.362 4.987 10.568 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.440 5.110 11.623 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.626 4.945 11.336 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.041 5.400 12.849 1.00 0.00 N ATOM 0 H GLN A 94 0.992 3.540 9.013 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.326 5.364 7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.198 6.412 9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.729 4.765 8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.005 3.961 10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.482 5.621 10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.048 5.529 13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.726 5.495 13.599 1.00 0.00 H new ATOM 1393 N GLN A 95 1.361 7.104 7.161 1.00 0.00 N ATOM 1394 CA GLN A 95 2.344 8.165 7.123 1.00 0.00 C ATOM 1395 C GLN A 95 1.652 9.463 6.716 1.00 0.00 C ATOM 1396 O GLN A 95 0.875 9.489 5.758 1.00 0.00 O ATOM 1397 CB GLN A 95 3.461 7.791 6.140 1.00 0.00 C ATOM 1398 CG GLN A 95 4.863 8.191 6.596 1.00 0.00 C ATOM 1399 CD GLN A 95 5.062 9.691 6.738 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.413 10.466 5.891 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 5.814 10.148 7.594 1.00 0.00 N flip ATOM 0 H GLN A 95 0.768 7.052 6.333 1.00 0.00 H new ATOM 0 HA GLN A 95 2.795 8.306 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.439 6.714 5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.256 8.263 5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.072 7.715 7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.590 7.804 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.301 9.520 8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.952 11.156 7.666 1.00 0.00 H new ATOM 1410 N GLU A 96 1.891 10.526 7.471 1.00 0.00 N ATOM 1411 CA GLU A 96 1.248 11.802 7.202 1.00 0.00 C ATOM 1412 C GLU A 96 2.072 12.634 6.237 1.00 0.00 C ATOM 1413 O GLU A 96 3.272 12.840 6.431 1.00 0.00 O ATOM 1414 CB GLU A 96 1.007 12.577 8.498 1.00 0.00 C ATOM 1415 CG GLU A 96 0.372 13.940 8.280 1.00 0.00 C ATOM 1416 CD GLU A 96 0.227 14.722 9.563 1.00 0.00 C ATOM 1417 OE1 GLU A 96 1.211 15.366 9.982 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -0.866 14.699 10.162 1.00 0.00 O ATOM 0 H GLU A 96 2.523 10.529 8.271 1.00 0.00 H new ATOM 0 HA GLU A 96 0.283 11.595 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.365 11.986 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.957 12.706 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.978 14.511 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.610 13.811 7.824 1.00 0.00 H new ATOM 1425 N THR A 97 1.407 13.104 5.201 1.00 0.00 N ATOM 1426 CA THR A 97 2.037 13.887 4.162 1.00 0.00 C ATOM 1427 C THR A 97 2.671 15.153 4.734 1.00 0.00 C ATOM 1428 O THR A 97 2.018 15.934 5.431 1.00 0.00 O ATOM 1429 CB THR A 97 0.997 14.263 3.098 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.135 14.860 3.738 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.544 13.037 2.317 1.00 0.00 C ATOM 0 H THR A 97 0.409 12.952 5.057 1.00 0.00 H new ATOM 0 HA THR A 97 2.826 13.286 3.710 1.00 0.00 H new ATOM 0 HB THR A 97 1.453 14.966 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.915 14.799 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.193 13.333 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.402 12.584 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.098 12.315 3.000 1.00 0.00 H new ATOM 1439 N THR A 98 3.952 15.336 4.448 1.00 0.00 N ATOM 1440 CA THR A 98 4.689 16.499 4.909 1.00 0.00 C ATOM 1441 C THR A 98 4.199 17.744 4.182 1.00 0.00 C ATOM 1442 O THR A 98 4.211 18.852 4.723 1.00 0.00 O ATOM 1443 CB THR A 98 6.197 16.322 4.648 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.622 15.022 5.083 1.00 0.00 O ATOM 1445 CG2 THR A 98 7.010 17.388 5.367 1.00 0.00 C ATOM 0 H THR A 98 4.506 14.684 3.892 1.00 0.00 H new ATOM 0 HA THR A 98 4.523 16.608 5.981 1.00 0.00 H new ATOM 0 HB THR A 98 6.365 16.424 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.581 14.917 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.070 17.236 5.163 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.710 18.374 5.013 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.833 17.318 6.440 1.00 0.00 H new