USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=27 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 45 SER OG : rot 180:sc= -0.405 USER MOD Set 1.2: A 52 SER OG : rot 35:sc= -0.0814 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.801 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0071 USER MOD Single : A 40 TYR OH : rot 69:sc= -3.98! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.19! USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -21:sc= 0.617 USER MOD Single : A 62 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.9!) USER MOD Single : A 63 SER OG : rot 35:sc= 0.0188 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0514 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.392 F(o=-1.1,f=-0.39) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0068 F(o=-0.56,f=-0.0068) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.011 F(o=-1.1,f=-0.011) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 15:sc= -0.0279 USER MOD Single : A 85 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.81) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0204 F(o=-1.3!,f=-0.02) USER MOD Single : A 88 SER OG : rot 84:sc= 1.28 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.624 F(o=-2.2,f=-0.62) USER MOD Single : A 97 THR OG1 : rot -156:sc= 2.12 USER MOD Single : A 98 THR OG1 : rot 133:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.125 -11.941 4.157 1.00 0.00 N ATOM 142 CA ALA A 12 2.203 -10.582 3.634 1.00 0.00 C ATOM 143 C ALA A 12 3.596 -10.009 3.864 1.00 0.00 C ATOM 144 O ALA A 12 4.339 -10.510 4.711 1.00 0.00 O ATOM 145 CB ALA A 12 1.170 -9.707 4.321 1.00 0.00 C ATOM 0 HA ALA A 12 2.002 -10.605 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.232 -8.693 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.173 -10.108 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.362 -9.692 5.394 1.00 0.00 H new ATOM 151 N PRO A 13 3.973 -8.950 3.127 1.00 0.00 N ATOM 152 CA PRO A 13 5.266 -8.286 3.307 1.00 0.00 C ATOM 153 C PRO A 13 5.359 -7.554 4.644 1.00 0.00 C ATOM 154 O PRO A 13 4.446 -6.813 5.019 1.00 0.00 O ATOM 155 CB PRO A 13 5.317 -7.274 2.151 1.00 0.00 C ATOM 156 CG PRO A 13 4.271 -7.725 1.196 1.00 0.00 C ATOM 157 CD PRO A 13 3.197 -8.316 2.049 1.00 0.00 C ATOM 0 HA PRO A 13 6.089 -9.000 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.119 -6.262 2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.301 -7.261 1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.891 -6.892 0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.667 -8.460 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.515 -7.556 2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.594 -9.040 1.501 1.00 0.00 H new ATOM 165 N PRO A 14 6.456 -7.778 5.392 1.00 0.00 N ATOM 166 CA PRO A 14 6.747 -7.030 6.621 1.00 0.00 C ATOM 167 C PRO A 14 6.658 -5.528 6.396 1.00 0.00 C ATOM 168 O PRO A 14 6.921 -5.056 5.286 1.00 0.00 O ATOM 169 CB PRO A 14 8.183 -7.441 6.951 1.00 0.00 C ATOM 170 CG PRO A 14 8.333 -8.797 6.352 1.00 0.00 C ATOM 171 CD PRO A 14 7.486 -8.797 5.109 1.00 0.00 C ATOM 0 HA PRO A 14 6.038 -7.247 7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.903 -6.740 6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.352 -7.462 8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.376 -9.005 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.005 -9.569 7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.071 -8.542 4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.042 -9.776 4.926 1.00 0.00 H new ATOM 179 N ASP A 15 6.311 -4.801 7.467 1.00 0.00 N ATOM 180 CA ASP A 15 5.978 -3.370 7.407 1.00 0.00 C ATOM 181 C ASP A 15 6.873 -2.610 6.438 1.00 0.00 C ATOM 182 O ASP A 15 8.048 -2.363 6.718 1.00 0.00 O ATOM 183 CB ASP A 15 6.082 -2.732 8.799 1.00 0.00 C ATOM 184 CG ASP A 15 5.063 -3.279 9.779 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.366 -4.286 10.456 1.00 0.00 O ATOM 186 OD2 ASP A 15 3.956 -2.706 9.883 1.00 0.00 O ATOM 0 H ASP A 15 6.253 -5.192 8.407 1.00 0.00 H new ATOM 0 HA ASP A 15 4.952 -3.302 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.084 -2.898 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.949 -1.654 8.709 1.00 0.00 H new ATOM 191 N PRO A 16 6.313 -2.240 5.277 1.00 0.00 N ATOM 192 CA PRO A 16 7.027 -1.495 4.235 1.00 0.00 C ATOM 193 C PRO A 16 7.438 -0.101 4.687 1.00 0.00 C ATOM 194 O PRO A 16 6.775 0.531 5.510 1.00 0.00 O ATOM 195 CB PRO A 16 6.013 -1.421 3.079 1.00 0.00 C ATOM 196 CG PRO A 16 5.059 -2.521 3.369 1.00 0.00 C ATOM 197 CD PRO A 16 4.940 -2.550 4.862 1.00 0.00 C ATOM 0 HA PRO A 16 7.963 -1.982 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.511 -0.454 3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.498 -1.558 2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.092 -2.338 2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.426 -3.473 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.225 -1.814 5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.612 -3.523 5.227 1.00 0.00 H new ATOM 205 N THR A 17 8.538 0.361 4.133 1.00 0.00 N ATOM 206 CA THR A 17 9.107 1.646 4.485 1.00 0.00 C ATOM 207 C THR A 17 8.850 2.661 3.395 1.00 0.00 C ATOM 208 O THR A 17 9.081 2.409 2.212 1.00 0.00 O ATOM 209 CB THR A 17 10.622 1.516 4.729 1.00 0.00 C ATOM 210 OG1 THR A 17 10.872 0.464 5.672 1.00 0.00 O ATOM 211 CG2 THR A 17 11.211 2.819 5.249 1.00 0.00 C ATOM 0 H THR A 17 9.066 -0.146 3.422 1.00 0.00 H new ATOM 0 HA THR A 17 8.628 1.987 5.402 1.00 0.00 H new ATOM 0 HB THR A 17 11.100 1.281 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.837 0.383 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.282 2.695 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.044 3.611 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.730 3.086 6.190 1.00 0.00 H new ATOM 219 N VAL A 18 8.333 3.790 3.814 1.00 0.00 N ATOM 220 CA VAL A 18 8.106 4.914 2.920 1.00 0.00 C ATOM 221 C VAL A 18 9.408 5.690 2.712 1.00 0.00 C ATOM 222 O VAL A 18 10.034 6.144 3.669 1.00 0.00 O ATOM 223 CB VAL A 18 7.001 5.847 3.459 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.877 7.101 2.600 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.668 5.110 3.530 1.00 0.00 C ATOM 0 H VAL A 18 8.056 3.962 4.781 1.00 0.00 H new ATOM 0 HA VAL A 18 7.769 4.522 1.961 1.00 0.00 H new ATOM 0 HB VAL A 18 7.280 6.156 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.091 7.741 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.824 7.641 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.627 6.818 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.900 5.783 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.388 4.768 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.762 4.252 4.195 1.00 0.00 H new ATOM 235 N ASP A 19 9.807 5.823 1.453 1.00 0.00 N ATOM 236 CA ASP A 19 11.085 6.439 1.101 1.00 0.00 C ATOM 237 C ASP A 19 10.945 7.946 0.916 1.00 0.00 C ATOM 238 O ASP A 19 11.822 8.715 1.311 1.00 0.00 O ATOM 239 CB ASP A 19 11.635 5.800 -0.178 1.00 0.00 C ATOM 240 CG ASP A 19 12.920 6.452 -0.657 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.957 6.308 0.024 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.901 7.103 -1.722 1.00 0.00 O ATOM 0 H ASP A 19 9.260 5.510 0.651 1.00 0.00 H new ATOM 0 HA ASP A 19 11.781 6.267 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.815 4.740 -0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.884 5.868 -0.965 1.00 0.00 H new ATOM 247 N GLN A 20 9.828 8.370 0.345 1.00 0.00 N ATOM 248 CA GLN A 20 9.597 9.782 0.073 1.00 0.00 C ATOM 249 C GLN A 20 8.196 10.181 0.483 1.00 0.00 C ATOM 250 O GLN A 20 7.230 9.467 0.209 1.00 0.00 O ATOM 251 CB GLN A 20 9.804 10.100 -1.410 1.00 0.00 C ATOM 252 CG GLN A 20 11.260 10.096 -1.842 1.00 0.00 C ATOM 253 CD GLN A 20 11.445 10.524 -3.285 1.00 0.00 C ATOM 254 OE1 GLN A 20 10.474 10.215 -4.130 1.00 0.00 O flip ATOM 255 NE2 GLN A 20 12.459 11.124 -3.641 1.00 0.00 N flip ATOM 0 H GLN A 20 9.065 7.756 0.060 1.00 0.00 H new ATOM 0 HA GLN A 20 10.320 10.352 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.256 9.372 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.374 11.078 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.829 10.763 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.671 9.095 -1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.186 11.345 -2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.572 11.400 -4.616 1.00 0.00 H new ATOM 264 N VAL A 21 8.102 11.312 1.158 1.00 0.00 N ATOM 265 CA VAL A 21 6.826 11.834 1.604 1.00 0.00 C ATOM 266 C VAL A 21 6.684 13.296 1.205 1.00 0.00 C ATOM 267 O VAL A 21 7.479 14.143 1.619 1.00 0.00 O ATOM 268 CB VAL A 21 6.661 11.715 3.135 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.308 12.248 3.577 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.844 10.279 3.596 1.00 0.00 C ATOM 0 H VAL A 21 8.903 11.890 1.411 1.00 0.00 H new ATOM 0 HA VAL A 21 6.050 11.238 1.124 1.00 0.00 H new ATOM 0 HB VAL A 21 7.438 12.322 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.215 12.153 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.221 13.297 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.516 11.676 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.722 10.226 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.099 9.645 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.842 9.935 3.326 1.00 0.00 H new ATOM 280 N ASP A 22 5.692 13.579 0.382 1.00 0.00 N ATOM 281 CA ASP A 22 5.380 14.945 -0.003 1.00 0.00 C ATOM 282 C ASP A 22 3.901 15.223 0.231 1.00 0.00 C ATOM 283 O ASP A 22 3.250 14.517 1.003 1.00 0.00 O ATOM 284 CB ASP A 22 5.751 15.201 -1.470 1.00 0.00 C ATOM 285 CG ASP A 22 7.242 15.367 -1.679 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.762 16.478 -1.433 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.904 14.391 -2.094 1.00 0.00 O ATOM 0 H ASP A 22 5.083 12.876 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 22 5.971 15.623 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.394 14.372 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.238 16.097 -1.818 1.00 0.00 H new ATOM 292 N ASP A 23 3.381 16.252 -0.415 1.00 0.00 N ATOM 293 CA ASP A 23 1.989 16.650 -0.237 1.00 0.00 C ATOM 294 C ASP A 23 1.057 15.723 -1.003 1.00 0.00 C ATOM 295 O ASP A 23 0.178 15.090 -0.425 1.00 0.00 O ATOM 296 CB ASP A 23 1.770 18.088 -0.718 1.00 0.00 C ATOM 297 CG ASP A 23 2.601 19.111 0.030 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.706 18.773 0.501 1.00 0.00 O ATOM 299 OD2 ASP A 23 2.155 20.266 0.147 1.00 0.00 O ATOM 0 H ASP A 23 3.903 16.832 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 23 1.764 16.586 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.006 18.147 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.715 18.341 -0.612 1.00 0.00 H new ATOM 304 N THR A 24 1.265 15.648 -2.309 1.00 0.00 N ATOM 305 CA THR A 24 0.396 14.881 -3.187 1.00 0.00 C ATOM 306 C THR A 24 1.133 13.678 -3.779 1.00 0.00 C ATOM 307 O THR A 24 0.873 13.276 -4.911 1.00 0.00 O ATOM 308 CB THR A 24 -0.138 15.778 -4.322 1.00 0.00 C ATOM 309 OG1 THR A 24 0.952 16.439 -4.977 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.105 16.818 -3.777 1.00 0.00 C ATOM 0 H THR A 24 2.036 16.114 -2.787 1.00 0.00 H new ATOM 0 HA THR A 24 -0.441 14.512 -2.594 1.00 0.00 H new ATOM 0 HB THR A 24 -0.666 15.147 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.605 17.006 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.469 17.440 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.947 16.317 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.593 17.444 -3.046 1.00 0.00 H new ATOM 318 N SER A 25 2.033 13.099 -2.990 1.00 0.00 N ATOM 319 CA SER A 25 2.870 11.986 -3.437 1.00 0.00 C ATOM 320 C SER A 25 3.622 11.368 -2.255 1.00 0.00 C ATOM 321 O SER A 25 4.223 12.082 -1.452 1.00 0.00 O ATOM 322 CB SER A 25 3.861 12.443 -4.518 1.00 0.00 C ATOM 323 OG SER A 25 4.698 13.490 -4.049 1.00 0.00 O ATOM 0 H SER A 25 2.204 13.385 -2.026 1.00 0.00 H new ATOM 0 HA SER A 25 2.217 11.228 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.474 11.598 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.312 12.781 -5.397 1.00 0.00 H new ATOM 0 HG SER A 25 5.318 13.757 -4.760 1.00 0.00 H new ATOM 329 N ILE A 26 3.561 10.048 -2.145 1.00 0.00 N ATOM 330 CA ILE A 26 4.288 9.310 -1.102 1.00 0.00 C ATOM 331 C ILE A 26 4.700 7.954 -1.656 1.00 0.00 C ATOM 332 O ILE A 26 3.927 7.332 -2.361 1.00 0.00 O ATOM 333 CB ILE A 26 3.432 9.110 0.184 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.312 10.414 0.978 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.010 8.023 1.075 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.444 10.296 2.214 1.00 0.00 C ATOM 0 H ILE A 26 3.012 9.455 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 26 5.163 9.896 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 26 2.439 8.801 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.308 10.742 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.902 11.188 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.387 7.911 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.036 7.080 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.022 8.297 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.406 11.258 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.436 9.999 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.865 9.546 2.884 1.00 0.00 H new ATOM 348 N VAL A 27 5.899 7.485 -1.359 1.00 0.00 N ATOM 349 CA VAL A 27 6.359 6.238 -1.947 1.00 0.00 C ATOM 350 C VAL A 27 6.620 5.209 -0.873 1.00 0.00 C ATOM 351 O VAL A 27 7.327 5.484 0.088 1.00 0.00 O ATOM 352 CB VAL A 27 7.646 6.419 -2.753 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.003 5.109 -3.439 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.501 7.545 -3.764 1.00 0.00 C ATOM 0 H VAL A 27 6.560 7.937 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 27 5.566 5.903 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 27 8.454 6.694 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.920 5.237 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.151 4.333 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.194 4.816 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.430 7.653 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.687 7.314 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.282 8.476 -3.242 1.00 0.00 H new ATOM 364 N VAL A 28 6.079 4.017 -1.043 1.00 0.00 N ATOM 365 CA VAL A 28 6.232 2.990 -0.034 1.00 0.00 C ATOM 366 C VAL A 28 6.875 1.754 -0.643 1.00 0.00 C ATOM 367 O VAL A 28 6.641 1.449 -1.808 1.00 0.00 O ATOM 368 CB VAL A 28 4.884 2.626 0.631 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.877 3.745 0.498 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.327 1.328 0.097 1.00 0.00 C ATOM 0 H VAL A 28 5.536 3.740 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 28 6.881 3.387 0.747 1.00 0.00 H new ATOM 0 HB VAL A 28 5.083 2.484 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.943 3.453 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.265 4.643 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.696 3.948 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.380 1.108 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.165 1.416 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.033 0.521 0.293 1.00 0.00 H new ATOM 380 N ARG A 29 7.688 1.060 0.144 1.00 0.00 N ATOM 381 CA ARG A 29 8.437 -0.098 -0.344 1.00 0.00 C ATOM 382 C ARG A 29 8.269 -1.280 0.595 1.00 0.00 C ATOM 383 O ARG A 29 8.655 -1.215 1.758 1.00 0.00 O ATOM 384 CB ARG A 29 9.928 0.239 -0.464 1.00 0.00 C ATOM 385 CG ARG A 29 10.209 1.600 -1.085 1.00 0.00 C ATOM 386 CD ARG A 29 11.698 1.838 -1.264 1.00 0.00 C ATOM 387 NE ARG A 29 12.446 1.646 -0.022 1.00 0.00 N ATOM 388 CZ ARG A 29 13.654 2.161 0.208 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.248 2.916 -0.708 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.268 1.915 1.355 1.00 0.00 N ATOM 0 H ARG A 29 7.848 1.278 1.128 1.00 0.00 H new ATOM 0 HA ARG A 29 8.044 -0.360 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.378 0.204 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.416 -0.530 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.710 1.669 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.789 2.382 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.083 1.160 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.860 2.852 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 29 12.017 1.084 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.780 3.105 -1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.172 3.307 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.817 1.333 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.192 2.308 1.533 1.00 0.00 H new ATOM 404 N TRP A 30 7.752 -2.371 0.058 1.00 0.00 N ATOM 405 CA TRP A 30 7.409 -3.547 0.857 1.00 0.00 C ATOM 406 C TRP A 30 8.347 -4.716 0.568 1.00 0.00 C ATOM 407 O TRP A 30 8.796 -4.907 -0.562 1.00 0.00 O ATOM 408 CB TRP A 30 5.942 -3.958 0.615 1.00 0.00 C ATOM 409 CG TRP A 30 5.587 -4.144 -0.820 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.763 -5.263 -1.557 1.00 0.00 C ATOM 411 CD2 TRP A 30 4.961 -3.194 -1.679 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.327 -5.062 -2.838 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.815 -3.803 -2.935 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.515 -1.888 -1.510 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.239 -3.152 -4.014 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.939 -1.246 -2.582 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.804 -1.876 -3.815 1.00 0.00 C ATOM 0 H TRP A 30 7.557 -2.472 -0.938 1.00 0.00 H new ATOM 0 HA TRP A 30 7.529 -3.279 1.907 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.744 -4.887 1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.288 -3.198 1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.187 -6.185 -1.187 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.377 -5.743 -3.596 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.618 -1.388 -0.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.139 -3.636 -4.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.585 -0.233 -2.464 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.344 -1.342 -4.633 1.00 0.00 H new ATOM 428 N SER A 31 8.651 -5.484 1.604 1.00 0.00 N ATOM 429 CA SER A 31 9.484 -6.668 1.467 1.00 0.00 C ATOM 430 C SER A 31 8.618 -7.882 1.156 1.00 0.00 C ATOM 431 O SER A 31 8.046 -8.489 2.057 1.00 0.00 O ATOM 432 CB SER A 31 10.277 -6.899 2.751 1.00 0.00 C ATOM 433 OG SER A 31 10.988 -5.731 3.122 1.00 0.00 O ATOM 0 H SER A 31 8.330 -5.306 2.556 1.00 0.00 H new ATOM 0 HA SER A 31 10.183 -6.517 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.600 -7.188 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.974 -7.725 2.609 1.00 0.00 H new ATOM 0 HG SER A 31 11.488 -5.901 3.948 1.00 0.00 H new ATOM 439 N ARG A 32 8.524 -8.204 -0.130 1.00 0.00 N ATOM 440 CA ARG A 32 7.661 -9.269 -0.638 1.00 0.00 C ATOM 441 C ARG A 32 7.753 -10.568 0.181 1.00 0.00 C ATOM 442 O ARG A 32 8.766 -10.852 0.821 1.00 0.00 O ATOM 443 CB ARG A 32 8.010 -9.559 -2.098 1.00 0.00 C ATOM 444 CG ARG A 32 8.106 -8.315 -2.968 1.00 0.00 C ATOM 445 CD ARG A 32 9.496 -7.700 -2.934 1.00 0.00 C ATOM 446 NE ARG A 32 9.945 -7.294 -4.265 1.00 0.00 N ATOM 447 CZ ARG A 32 11.212 -7.021 -4.572 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.158 -7.090 -3.640 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.531 -6.678 -5.811 1.00 0.00 N ATOM 0 H ARG A 32 9.052 -7.727 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 32 6.635 -8.912 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.961 -10.091 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.256 -10.225 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.848 -8.571 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.376 -7.579 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.494 -6.834 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.201 -8.419 -2.517 1.00 0.00 H new ATOM 0 HE ARG A 32 9.246 -7.215 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.915 -7.353 -2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.127 -6.880 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.807 -6.623 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.501 -6.468 -6.049 1.00 0.00 H new ATOM 463 N PRO A 33 6.685 -11.385 0.119 1.00 0.00 N ATOM 464 CA PRO A 33 6.508 -12.581 0.941 1.00 0.00 C ATOM 465 C PRO A 33 7.228 -13.791 0.374 1.00 0.00 C ATOM 466 O PRO A 33 7.711 -13.774 -0.760 1.00 0.00 O ATOM 467 CB PRO A 33 4.990 -12.833 0.878 1.00 0.00 C ATOM 468 CG PRO A 33 4.418 -11.735 0.044 1.00 0.00 C ATOM 469 CD PRO A 33 5.552 -11.232 -0.784 1.00 0.00 C ATOM 0 HA PRO A 33 6.909 -12.434 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.775 -13.807 0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.554 -12.831 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.606 -12.101 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.006 -10.942 0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.678 -11.813 -1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.408 -10.194 -1.084 1.00 0.00 H new ATOM 477 N GLN A 34 7.282 -14.845 1.170 1.00 0.00 N ATOM 478 CA GLN A 34 7.833 -16.113 0.726 1.00 0.00 C ATOM 479 C GLN A 34 6.775 -16.867 -0.072 1.00 0.00 C ATOM 480 O GLN A 34 7.078 -17.792 -0.829 1.00 0.00 O ATOM 481 CB GLN A 34 8.293 -16.930 1.931 1.00 0.00 C ATOM 482 CG GLN A 34 8.907 -18.272 1.574 1.00 0.00 C ATOM 483 CD GLN A 34 9.297 -19.070 2.799 1.00 0.00 C ATOM 484 OE1 GLN A 34 8.501 -19.842 3.332 1.00 0.00 O ATOM 485 NE2 GLN A 34 10.523 -18.893 3.256 1.00 0.00 N ATOM 0 H GLN A 34 6.948 -14.847 2.134 1.00 0.00 H new ATOM 0 HA GLN A 34 8.698 -15.938 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.022 -16.347 2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.441 -17.096 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.197 -18.847 0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.788 -18.112 0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.154 -18.244 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.839 -19.406 4.079 1.00 0.00 H new ATOM 494 N ALA A 35 5.529 -16.446 0.108 1.00 0.00 N ATOM 495 CA ALA A 35 4.395 -17.016 -0.604 1.00 0.00 C ATOM 496 C ALA A 35 4.494 -16.767 -2.098 1.00 0.00 C ATOM 497 O ALA A 35 4.947 -15.703 -2.524 1.00 0.00 O ATOM 498 CB ALA A 35 3.104 -16.404 -0.092 1.00 0.00 C ATOM 0 H ALA A 35 5.277 -15.698 0.754 1.00 0.00 H new ATOM 0 HA ALA A 35 4.402 -18.092 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.259 -16.835 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.001 -16.611 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.124 -15.326 -0.252 1.00 0.00 H new ATOM 504 N PRO A 36 4.092 -17.745 -2.920 1.00 0.00 N ATOM 505 CA PRO A 36 3.915 -17.515 -4.343 1.00 0.00 C ATOM 506 C PRO A 36 2.696 -16.636 -4.570 1.00 0.00 C ATOM 507 O PRO A 36 1.568 -17.034 -4.272 1.00 0.00 O ATOM 508 CB PRO A 36 3.696 -18.918 -4.930 1.00 0.00 C ATOM 509 CG PRO A 36 4.023 -19.873 -3.829 1.00 0.00 C ATOM 510 CD PRO A 36 3.796 -19.131 -2.545 1.00 0.00 C ATOM 0 HA PRO A 36 4.762 -17.007 -4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.667 -19.045 -5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.337 -19.084 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.391 -20.759 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.056 -20.213 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.773 -19.244 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.453 -19.485 -1.751 1.00 0.00 H new ATOM 518 N ILE A 37 2.930 -15.448 -5.091 1.00 0.00 N ATOM 519 CA ILE A 37 1.882 -14.458 -5.265 1.00 0.00 C ATOM 520 C ILE A 37 1.789 -14.077 -6.744 1.00 0.00 C ATOM 521 O ILE A 37 2.769 -14.188 -7.476 1.00 0.00 O ATOM 522 CB ILE A 37 2.172 -13.199 -4.403 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.489 -12.563 -4.860 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.210 -13.532 -2.898 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.231 -11.825 -3.776 1.00 0.00 C ATOM 0 H ILE A 37 3.850 -15.141 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 37 0.932 -14.881 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 37 1.360 -12.487 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.136 -13.344 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.281 -11.872 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.415 -12.625 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.248 -13.942 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.994 -14.265 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.151 -11.406 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.606 -11.020 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.474 -12.514 -2.967 1.00 0.00 H new ATOM 537 N THR A 38 0.609 -13.667 -7.188 1.00 0.00 N ATOM 538 CA THR A 38 0.392 -13.327 -8.590 1.00 0.00 C ATOM 539 C THR A 38 0.473 -11.825 -8.856 1.00 0.00 C ATOM 540 O THR A 38 0.885 -11.406 -9.941 1.00 0.00 O ATOM 541 CB THR A 38 -0.958 -13.866 -9.091 1.00 0.00 C ATOM 542 OG1 THR A 38 -1.984 -13.596 -8.130 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.875 -15.352 -9.356 1.00 0.00 C ATOM 0 H THR A 38 -0.216 -13.561 -6.597 1.00 0.00 H new ATOM 0 HA THR A 38 1.201 -13.805 -9.142 1.00 0.00 H new ATOM 0 HB THR A 38 -1.204 -13.361 -10.025 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.840 -13.942 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.841 -15.713 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.116 -15.545 -10.114 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.608 -15.871 -8.436 1.00 0.00 H new ATOM 551 N GLY A 39 0.084 -11.011 -7.886 1.00 0.00 N ATOM 552 CA GLY A 39 0.176 -9.580 -8.056 1.00 0.00 C ATOM 553 C GLY A 39 0.081 -8.855 -6.738 1.00 0.00 C ATOM 554 O GLY A 39 0.232 -9.473 -5.692 1.00 0.00 O ATOM 0 H GLY A 39 -0.292 -11.316 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.120 -9.331 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.621 -9.240 -8.717 1.00 0.00 H new ATOM 558 N TYR A 40 -0.166 -7.555 -6.787 1.00 0.00 N ATOM 559 CA TYR A 40 -0.385 -6.753 -5.588 1.00 0.00 C ATOM 560 C TYR A 40 -1.487 -5.739 -5.804 1.00 0.00 C ATOM 561 O TYR A 40 -1.546 -5.089 -6.845 1.00 0.00 O ATOM 562 CB TYR A 40 0.874 -5.984 -5.194 1.00 0.00 C ATOM 563 CG TYR A 40 1.822 -6.747 -4.306 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.335 -7.971 -4.690 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.228 -6.219 -3.093 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.225 -8.648 -3.895 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.110 -6.897 -2.287 1.00 0.00 C ATOM 568 CZ TYR A 40 3.608 -8.108 -2.693 1.00 0.00 C ATOM 569 OH TYR A 40 4.508 -8.769 -1.905 1.00 0.00 O ATOM 0 H TYR A 40 -0.221 -7.025 -7.657 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.660 -7.451 -4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.403 -5.690 -6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.579 -5.066 -4.685 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.030 -8.402 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.846 -5.260 -2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.622 -9.601 -4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.410 -6.478 -1.338 1.00 0.00 H new ATOM 0 HH TYR A 40 5.389 -8.757 -2.334 1.00 0.00 H new ATOM 579 N ARG A 41 -2.361 -5.613 -4.824 1.00 0.00 N ATOM 580 CA ARG A 41 -3.279 -4.490 -4.776 1.00 0.00 C ATOM 581 C ARG A 41 -2.804 -3.523 -3.724 1.00 0.00 C ATOM 582 O ARG A 41 -2.127 -3.914 -2.793 1.00 0.00 O ATOM 583 CB ARG A 41 -4.674 -4.945 -4.432 1.00 0.00 C ATOM 584 CG ARG A 41 -5.008 -6.283 -5.046 1.00 0.00 C ATOM 585 CD ARG A 41 -6.334 -6.818 -4.536 1.00 0.00 C ATOM 586 NE ARG A 41 -7.434 -5.898 -4.814 1.00 0.00 N ATOM 587 CZ ARG A 41 -8.716 -6.194 -4.631 1.00 0.00 C ATOM 588 NH1 ARG A 41 -9.073 -7.382 -4.156 1.00 0.00 N ATOM 589 NH2 ARG A 41 -9.639 -5.290 -4.919 1.00 0.00 N ATOM 0 H ARG A 41 -2.455 -6.273 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.304 -4.014 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.776 -5.009 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.392 -4.200 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.047 -6.186 -6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.216 -6.996 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.540 -7.782 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.267 -6.990 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.203 -4.971 -5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.360 -8.075 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.060 -7.601 -4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.363 -4.376 -5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.626 -5.507 -4.782 1.00 0.00 H new ATOM 603 N ILE A 42 -3.099 -2.263 -3.892 1.00 0.00 N ATOM 604 CA ILE A 42 -2.649 -1.265 -2.939 1.00 0.00 C ATOM 605 C ILE A 42 -3.712 -0.228 -2.662 1.00 0.00 C ATOM 606 O ILE A 42 -3.950 0.630 -3.495 1.00 0.00 O ATOM 607 CB ILE A 42 -1.387 -0.554 -3.459 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.364 -1.581 -3.921 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.795 0.342 -2.382 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.777 -0.996 -4.705 1.00 0.00 C ATOM 0 H ILE A 42 -3.645 -1.897 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.427 -1.792 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.663 0.072 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.035 -2.099 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.867 -2.329 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.096 0.836 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.529 1.094 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.528 -0.260 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.463 -1.791 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.391 -0.503 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.307 -0.269 -4.089 1.00 0.00 H new ATOM 622 N VAL A 43 -4.300 -0.260 -1.479 1.00 0.00 N ATOM 623 CA VAL A 43 -5.306 0.731 -1.132 1.00 0.00 C ATOM 624 C VAL A 43 -4.751 1.705 -0.118 1.00 0.00 C ATOM 625 O VAL A 43 -4.522 1.361 1.038 1.00 0.00 O ATOM 626 CB VAL A 43 -6.611 0.116 -0.576 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.542 1.205 -0.082 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.308 -0.724 -1.629 1.00 0.00 C ATOM 0 H VAL A 43 -4.104 -0.949 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.558 1.242 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.347 -0.531 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.456 0.754 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.052 1.771 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.789 1.874 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.223 -1.145 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.554 -0.100 -2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.648 -1.532 -1.945 1.00 0.00 H new ATOM 638 N TYR A 44 -4.531 2.916 -0.563 1.00 0.00 N ATOM 639 CA TYR A 44 -4.087 3.972 0.304 1.00 0.00 C ATOM 640 C TYR A 44 -5.195 4.970 0.471 1.00 0.00 C ATOM 641 O TYR A 44 -5.773 5.460 -0.511 1.00 0.00 O ATOM 642 CB TYR A 44 -2.796 4.627 -0.206 1.00 0.00 C ATOM 643 CG TYR A 44 -2.690 4.731 -1.712 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.471 3.598 -2.484 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.786 5.955 -2.360 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.352 3.672 -3.850 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.669 6.041 -3.732 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.451 4.898 -4.472 1.00 0.00 C ATOM 649 OH TYR A 44 -2.336 4.986 -5.835 1.00 0.00 O ATOM 0 H TYR A 44 -4.655 3.195 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.843 3.550 1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.720 5.628 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.944 4.057 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.392 2.636 -1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.955 6.852 -1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.182 2.778 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.748 6.999 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.431 5.921 -6.112 1.00 0.00 H new ATOM 659 N SER A 45 -5.518 5.204 1.725 1.00 0.00 N ATOM 660 CA SER A 45 -6.628 6.061 2.090 1.00 0.00 C ATOM 661 C SER A 45 -6.299 6.871 3.340 1.00 0.00 C ATOM 662 O SER A 45 -5.766 6.343 4.314 1.00 0.00 O ATOM 663 CB SER A 45 -7.876 5.211 2.329 1.00 0.00 C ATOM 664 OG SER A 45 -8.110 4.340 1.233 1.00 0.00 O ATOM 0 H SER A 45 -5.019 4.806 2.521 1.00 0.00 H new ATOM 0 HA SER A 45 -6.815 6.757 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.756 4.629 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.740 5.859 2.475 1.00 0.00 H new ATOM 0 HG SER A 45 -8.912 3.804 1.406 1.00 0.00 H new ATOM 670 N PRO A 46 -6.591 8.171 3.307 1.00 0.00 N ATOM 671 CA PRO A 46 -6.410 9.061 4.456 1.00 0.00 C ATOM 672 C PRO A 46 -7.475 8.828 5.523 1.00 0.00 C ATOM 673 O PRO A 46 -8.669 8.782 5.224 1.00 0.00 O ATOM 674 CB PRO A 46 -6.562 10.449 3.842 1.00 0.00 C ATOM 675 CG PRO A 46 -7.420 10.254 2.643 1.00 0.00 C ATOM 676 CD PRO A 46 -7.129 8.875 2.132 1.00 0.00 C ATOM 0 HA PRO A 46 -5.456 8.906 4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.021 11.143 4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.593 10.867 3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.474 10.358 2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.201 11.004 1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.029 8.391 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.409 8.895 1.314 1.00 0.00 H new ATOM 744 N SER A 52 -8.304 8.503 -2.035 1.00 0.00 N ATOM 745 CA SER A 52 -8.009 7.097 -1.813 1.00 0.00 C ATOM 746 C SER A 52 -7.850 6.393 -3.147 1.00 0.00 C ATOM 747 O SER A 52 -8.622 6.633 -4.078 1.00 0.00 O ATOM 748 CB SER A 52 -9.122 6.435 -0.999 1.00 0.00 C ATOM 749 OG SER A 52 -9.396 7.176 0.181 1.00 0.00 O ATOM 0 HA SER A 52 -7.079 7.018 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.025 6.360 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.830 5.419 -0.735 1.00 0.00 H new ATOM 0 HG SER A 52 -9.282 8.132 0.000 1.00 0.00 H new ATOM 755 N THR A 53 -6.851 5.537 -3.251 1.00 0.00 N ATOM 756 CA THR A 53 -6.567 4.887 -4.520 1.00 0.00 C ATOM 757 C THR A 53 -6.076 3.453 -4.317 1.00 0.00 C ATOM 758 O THR A 53 -5.503 3.129 -3.275 1.00 0.00 O ATOM 759 CB THR A 53 -5.517 5.696 -5.312 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.912 7.073 -5.378 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.341 5.159 -6.722 1.00 0.00 C ATOM 0 H THR A 53 -6.230 5.277 -2.485 1.00 0.00 H new ATOM 0 HA THR A 53 -7.496 4.849 -5.088 1.00 0.00 H new ATOM 0 HB THR A 53 -4.565 5.602 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.242 7.582 -5.880 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.594 5.754 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.012 4.121 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.291 5.216 -7.254 1.00 0.00 H new ATOM 769 N GLU A 54 -6.332 2.605 -5.309 1.00 0.00 N ATOM 770 CA GLU A 54 -5.867 1.235 -5.309 1.00 0.00 C ATOM 771 C GLU A 54 -5.004 0.988 -6.539 1.00 0.00 C ATOM 772 O GLU A 54 -5.499 1.022 -7.666 1.00 0.00 O ATOM 773 CB GLU A 54 -7.051 0.264 -5.300 1.00 0.00 C ATOM 774 CG GLU A 54 -6.653 -1.193 -5.106 1.00 0.00 C ATOM 775 CD GLU A 54 -7.833 -2.140 -5.199 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.929 -1.792 -4.705 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.668 -3.244 -5.766 1.00 0.00 O ATOM 0 H GLU A 54 -6.872 2.857 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.275 1.066 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.738 0.552 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.594 0.360 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.913 -1.466 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.176 -1.308 -4.133 1.00 0.00 H new ATOM 784 N LEU A 55 -3.713 0.764 -6.334 1.00 0.00 N ATOM 785 CA LEU A 55 -2.828 0.452 -7.446 1.00 0.00 C ATOM 786 C LEU A 55 -2.636 -1.047 -7.551 1.00 0.00 C ATOM 787 O LEU A 55 -2.965 -1.786 -6.631 1.00 0.00 O ATOM 788 CB LEU A 55 -1.472 1.189 -7.352 1.00 0.00 C ATOM 789 CG LEU A 55 -1.574 2.702 -7.529 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.212 3.329 -7.762 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.523 3.061 -8.663 1.00 0.00 C ATOM 0 H LEU A 55 -3.260 0.792 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.305 0.812 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.021 0.977 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.799 0.789 -8.111 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.978 3.107 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.323 4.406 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.433 3.125 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.234 2.906 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.575 4.145 -8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.159 2.626 -9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.516 2.669 -8.444 1.00 0.00 H new ATOM 803 N ASN A 56 -2.156 -1.500 -8.690 1.00 0.00 N ATOM 804 CA ASN A 56 -1.928 -2.914 -8.905 1.00 0.00 C ATOM 805 C ASN A 56 -0.528 -3.128 -9.434 1.00 0.00 C ATOM 806 O ASN A 56 -0.206 -2.731 -10.554 1.00 0.00 O ATOM 807 CB ASN A 56 -2.956 -3.500 -9.875 1.00 0.00 C ATOM 808 CG ASN A 56 -4.356 -3.536 -9.297 1.00 0.00 C ATOM 809 OD1 ASN A 56 -5.131 -2.589 -9.441 1.00 0.00 O ATOM 810 ND2 ASN A 56 -4.695 -4.636 -8.643 1.00 0.00 N ATOM 0 H ASN A 56 -1.915 -0.907 -9.484 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.038 -3.430 -7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.961 -2.910 -10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.655 -4.511 -10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.627 -4.721 -8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.024 -5.398 -8.545 1.00 0.00 H new ATOM 817 N LEU A 57 0.299 -3.766 -8.632 1.00 0.00 N ATOM 818 CA LEU A 57 1.694 -3.929 -8.969 1.00 0.00 C ATOM 819 C LEU A 57 1.963 -5.386 -9.267 1.00 0.00 C ATOM 820 O LEU A 57 1.191 -6.254 -8.876 1.00 0.00 O ATOM 821 CB LEU A 57 2.604 -3.422 -7.830 1.00 0.00 C ATOM 822 CG LEU A 57 2.629 -1.908 -7.611 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.980 -1.482 -7.081 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.309 -1.155 -8.882 1.00 0.00 C ATOM 0 H LEU A 57 0.027 -4.180 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 57 1.920 -3.332 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.288 -3.898 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.622 -3.757 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 57 1.860 -1.665 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.987 -0.403 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.174 -1.984 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.754 -1.752 -7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.336 -0.083 -8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.045 -1.403 -9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.315 -1.435 -9.230 1.00 0.00 H new ATOM 836 N PRO A 58 3.021 -5.672 -10.014 1.00 0.00 N ATOM 837 CA PRO A 58 3.424 -7.041 -10.279 1.00 0.00 C ATOM 838 C PRO A 58 3.853 -7.747 -8.996 1.00 0.00 C ATOM 839 O PRO A 58 4.312 -7.117 -8.047 1.00 0.00 O ATOM 840 CB PRO A 58 4.599 -6.907 -11.256 1.00 0.00 C ATOM 841 CG PRO A 58 5.059 -5.492 -11.154 1.00 0.00 C ATOM 842 CD PRO A 58 3.886 -4.683 -10.676 1.00 0.00 C ATOM 0 HA PRO A 58 2.611 -7.641 -10.687 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.402 -7.598 -10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.289 -7.144 -12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.895 -5.407 -10.460 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.409 -5.130 -12.120 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.196 -3.898 -9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.373 -4.195 -11.505 1.00 0.00 H new ATOM 850 N GLU A 59 3.652 -9.057 -8.979 1.00 0.00 N ATOM 851 CA GLU A 59 4.036 -9.930 -7.856 1.00 0.00 C ATOM 852 C GLU A 59 5.472 -9.689 -7.379 1.00 0.00 C ATOM 853 O GLU A 59 5.825 -10.001 -6.242 1.00 0.00 O ATOM 854 CB GLU A 59 3.905 -11.391 -8.286 1.00 0.00 C ATOM 855 CG GLU A 59 4.764 -11.744 -9.492 1.00 0.00 C ATOM 856 CD GLU A 59 4.753 -13.222 -9.813 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.465 -13.987 -9.129 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.040 -13.625 -10.753 1.00 0.00 O ATOM 0 H GLU A 59 3.213 -9.559 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 59 3.367 -9.697 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.182 -12.034 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.861 -11.602 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.410 -11.187 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.790 -11.426 -9.306 1.00 0.00 H new ATOM 865 N THR A 60 6.288 -9.143 -8.259 1.00 0.00 N ATOM 866 CA THR A 60 7.700 -8.935 -7.983 1.00 0.00 C ATOM 867 C THR A 60 7.978 -7.483 -7.578 1.00 0.00 C ATOM 868 O THR A 60 9.116 -7.108 -7.288 1.00 0.00 O ATOM 869 CB THR A 60 8.549 -9.328 -9.217 1.00 0.00 C ATOM 870 OG1 THR A 60 9.936 -9.048 -8.999 1.00 0.00 O ATOM 871 CG2 THR A 60 8.060 -8.601 -10.459 1.00 0.00 C ATOM 0 H THR A 60 5.994 -8.831 -9.184 1.00 0.00 H new ATOM 0 HA THR A 60 7.980 -9.573 -7.145 1.00 0.00 H new ATOM 0 HB THR A 60 8.435 -10.401 -9.370 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.027 -8.378 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.670 -8.891 -11.314 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.020 -8.865 -10.649 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.139 -7.525 -10.305 1.00 0.00 H new ATOM 879 N ALA A 61 6.926 -6.676 -7.510 1.00 0.00 N ATOM 880 CA ALA A 61 7.077 -5.262 -7.200 1.00 0.00 C ATOM 881 C ALA A 61 7.341 -5.084 -5.721 1.00 0.00 C ATOM 882 O ALA A 61 7.046 -5.976 -4.923 1.00 0.00 O ATOM 883 CB ALA A 61 5.838 -4.486 -7.605 1.00 0.00 C ATOM 0 H ALA A 61 5.963 -6.976 -7.665 1.00 0.00 H new ATOM 0 HA ALA A 61 7.924 -4.873 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.974 -3.432 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.675 -4.595 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.974 -4.873 -7.065 1.00 0.00 H new ATOM 889 N ASN A 62 7.901 -3.948 -5.353 1.00 0.00 N ATOM 890 CA ASN A 62 8.223 -3.702 -3.961 1.00 0.00 C ATOM 891 C ASN A 62 8.085 -2.237 -3.590 1.00 0.00 C ATOM 892 O ASN A 62 8.621 -1.819 -2.577 1.00 0.00 O ATOM 893 CB ASN A 62 9.643 -4.167 -3.639 1.00 0.00 C ATOM 894 CG ASN A 62 10.722 -3.372 -4.360 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.528 -2.903 -5.483 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.867 -3.214 -3.715 1.00 0.00 N ATOM 0 H ASN A 62 8.140 -3.188 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 62 7.506 -4.274 -3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.806 -4.093 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.741 -5.220 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.627 -2.689 -4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.989 -3.618 -2.786 1.00 0.00 H new ATOM 903 N SER A 63 7.366 -1.457 -4.384 1.00 0.00 N ATOM 904 CA SER A 63 7.206 -0.045 -4.072 1.00 0.00 C ATOM 905 C SER A 63 6.142 0.621 -4.944 1.00 0.00 C ATOM 906 O SER A 63 6.127 0.446 -6.162 1.00 0.00 O ATOM 907 CB SER A 63 8.547 0.681 -4.240 1.00 0.00 C ATOM 908 OG SER A 63 9.131 0.397 -5.502 1.00 0.00 O ATOM 0 H SER A 63 6.893 -1.769 -5.232 1.00 0.00 H new ATOM 0 HA SER A 63 6.873 0.026 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.396 1.756 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.229 0.379 -3.445 1.00 0.00 H new ATOM 0 HG SER A 63 8.425 0.304 -6.176 1.00 0.00 H new ATOM 914 N VAL A 64 5.267 1.395 -4.313 1.00 0.00 N ATOM 915 CA VAL A 64 4.249 2.154 -5.034 1.00 0.00 C ATOM 916 C VAL A 64 4.441 3.650 -4.798 1.00 0.00 C ATOM 917 O VAL A 64 4.736 4.080 -3.671 1.00 0.00 O ATOM 918 CB VAL A 64 2.801 1.767 -4.630 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.611 1.831 -3.140 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.808 2.653 -5.323 1.00 0.00 C ATOM 0 H VAL A 64 5.241 1.515 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 64 4.377 1.909 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 64 2.632 0.737 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.586 1.554 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.301 1.140 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.808 2.845 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.798 2.368 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.988 3.691 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.915 2.545 -6.402 1.00 0.00 H new ATOM 930 N THR A 65 4.312 4.426 -5.867 1.00 0.00 N ATOM 931 CA THR A 65 4.289 5.859 -5.782 1.00 0.00 C ATOM 932 C THR A 65 2.843 6.354 -5.794 1.00 0.00 C ATOM 933 O THR A 65 2.189 6.387 -6.835 1.00 0.00 O ATOM 934 CB THR A 65 5.057 6.442 -6.968 1.00 0.00 C ATOM 935 OG1 THR A 65 6.437 6.054 -6.888 1.00 0.00 O ATOM 936 CG2 THR A 65 4.937 7.962 -7.027 1.00 0.00 C ATOM 0 H THR A 65 4.221 4.065 -6.817 1.00 0.00 H new ATOM 0 HA THR A 65 4.760 6.182 -4.853 1.00 0.00 H new ATOM 0 HB THR A 65 4.618 6.044 -7.883 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.927 6.428 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.496 8.338 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.888 8.241 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.341 8.395 -6.112 1.00 0.00 H new ATOM 944 N LEU A 66 2.350 6.702 -4.624 1.00 0.00 N ATOM 945 CA LEU A 66 0.998 7.205 -4.462 1.00 0.00 C ATOM 946 C LEU A 66 0.961 8.674 -4.831 1.00 0.00 C ATOM 947 O LEU A 66 1.874 9.427 -4.467 1.00 0.00 O ATOM 948 CB LEU A 66 0.542 7.051 -3.020 1.00 0.00 C ATOM 949 CG LEU A 66 1.312 6.033 -2.195 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.129 6.315 -0.731 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.851 4.630 -2.536 1.00 0.00 C ATOM 0 H LEU A 66 2.877 6.644 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 66 0.334 6.634 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.615 8.021 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.512 6.772 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 66 2.373 6.111 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.684 5.581 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.500 7.315 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.070 6.254 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.409 3.909 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.213 4.534 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.025 4.437 -3.595 1.00 0.00 H new ATOM 963 N SER A 67 -0.099 9.087 -5.508 1.00 0.00 N ATOM 964 CA SER A 67 -0.181 10.435 -6.037 1.00 0.00 C ATOM 965 C SER A 67 -1.545 11.050 -5.734 1.00 0.00 C ATOM 966 O SER A 67 -2.471 10.352 -5.308 1.00 0.00 O ATOM 967 CB SER A 67 0.079 10.418 -7.548 1.00 0.00 C ATOM 968 OG SER A 67 0.189 11.731 -8.075 1.00 0.00 O ATOM 0 H SER A 67 -0.914 8.506 -5.703 1.00 0.00 H new ATOM 0 HA SER A 67 0.580 11.048 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.996 9.865 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.731 9.890 -8.051 1.00 0.00 H new ATOM 0 HG SER A 67 0.356 11.683 -9.039 1.00 0.00 H new ATOM 974 N ASP A 68 -1.643 12.360 -5.956 1.00 0.00 N ATOM 975 CA ASP A 68 -2.854 13.138 -5.682 1.00 0.00 C ATOM 976 C ASP A 68 -3.266 13.054 -4.222 1.00 0.00 C ATOM 977 O ASP A 68 -4.448 13.123 -3.901 1.00 0.00 O ATOM 978 CB ASP A 68 -4.023 12.707 -6.572 1.00 0.00 C ATOM 979 CG ASP A 68 -3.978 13.343 -7.942 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.089 14.584 -8.034 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.856 12.601 -8.938 1.00 0.00 O ATOM 0 H ASP A 68 -0.878 12.918 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.605 14.174 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.012 11.622 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.962 12.970 -6.084 1.00 0.00 H new ATOM 986 N LEU A 69 -2.288 12.913 -3.336 1.00 0.00 N ATOM 987 CA LEU A 69 -2.559 12.926 -1.904 1.00 0.00 C ATOM 988 C LEU A 69 -2.979 14.327 -1.473 1.00 0.00 C ATOM 989 O LEU A 69 -3.151 15.219 -2.299 1.00 0.00 O ATOM 990 CB LEU A 69 -1.343 12.506 -1.078 1.00 0.00 C ATOM 991 CG LEU A 69 -0.537 11.327 -1.590 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.641 11.098 -0.680 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.409 10.093 -1.629 1.00 0.00 C ATOM 0 H LEU A 69 -1.306 12.789 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.358 12.207 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.675 13.364 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.683 12.271 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.178 11.538 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.223 10.251 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.268 11.990 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.286 10.887 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.827 9.248 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.773 9.873 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.256 10.267 -2.293 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.168 14.515 -0.182 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.535 15.815 0.340 1.00 0.00 C ATOM 1007 C GLN A 70 -2.567 16.217 1.448 1.00 0.00 C ATOM 1008 O GLN A 70 -2.351 15.455 2.391 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.976 15.783 0.852 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.467 17.123 1.368 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.869 17.065 1.947 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -7.713 16.204 1.402 1.00 0.00 O flip ATOM 1013 NE2 GLN A 70 -7.193 17.811 2.873 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.073 13.785 0.524 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.474 16.558 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.632 15.451 0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.053 15.045 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.780 17.484 2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.447 17.848 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.512 18.461 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.142 17.778 3.246 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.945 17.403 1.323 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.947 17.889 2.285 1.00 0.00 C ATOM 1024 C PRO A 71 -1.514 18.115 3.687 1.00 0.00 C ATOM 1025 O PRO A 71 -2.543 18.775 3.857 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.467 19.207 1.684 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.539 19.626 0.736 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.155 18.358 0.220 1.00 0.00 C ATOM 0 HA PRO A 71 -0.154 17.155 2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.312 19.958 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.485 19.080 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.283 20.245 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.128 20.220 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.214 18.488 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.674 18.023 -0.699 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.828 17.564 4.684 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.258 17.701 6.060 1.00 0.00 C ATOM 1038 C GLY A 72 -2.224 16.606 6.458 1.00 0.00 C ATOM 1039 O GLY A 72 -2.984 16.745 7.416 1.00 0.00 O ATOM 0 H GLY A 72 0.026 17.020 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.389 17.675 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.733 18.672 6.198 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.177 15.503 5.728 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.138 14.428 5.902 1.00 0.00 C ATOM 1045 C VAL A 73 -2.439 13.088 6.112 1.00 0.00 C ATOM 1046 O VAL A 73 -1.392 12.816 5.522 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.082 14.349 4.686 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.015 13.176 4.770 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.915 15.595 4.549 1.00 0.00 C ATOM 0 H VAL A 73 -1.479 15.329 5.005 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.725 14.647 6.794 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.434 14.236 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.661 13.161 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.436 12.253 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.626 13.261 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.568 15.503 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.520 15.729 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.261 16.458 4.421 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.040 12.259 6.954 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.487 10.983 7.327 1.00 0.00 C ATOM 1061 C GLN A 74 -2.949 9.910 6.350 1.00 0.00 C ATOM 1062 O GLN A 74 -4.119 9.519 6.359 1.00 0.00 O ATOM 1063 CB GLN A 74 -2.977 10.669 8.725 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.492 9.343 9.280 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.108 9.445 9.892 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -0.077 9.191 9.101 1.00 0.00 O flip ATOM 1067 NE2 GLN A 74 -0.967 9.754 11.074 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.935 12.464 7.397 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.398 11.011 7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.658 11.467 9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.067 10.670 8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.195 8.989 10.034 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.480 8.601 8.482 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.785 9.943 11.653 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.032 9.822 11.475 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.045 9.455 5.500 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.388 8.463 4.500 1.00 0.00 C ATOM 1078 C TYR A 75 -2.003 7.065 4.944 1.00 0.00 C ATOM 1079 O TYR A 75 -0.834 6.770 5.175 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.742 8.806 3.159 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.606 9.726 2.333 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.658 11.089 2.589 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.398 9.219 1.316 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.481 11.919 1.853 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.214 10.044 0.572 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.257 11.392 0.845 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.092 12.212 0.117 1.00 0.00 O ATOM 0 H TYR A 75 -1.071 9.757 5.483 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.471 8.478 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.774 9.277 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.554 7.888 2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.046 11.507 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.376 8.161 1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.516 12.977 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.818 9.633 -0.223 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.567 11.681 -0.556 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.006 6.218 5.077 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.800 4.831 5.445 1.00 0.00 C ATOM 1099 C ASN A 76 -2.626 4.000 4.181 1.00 0.00 C ATOM 1100 O ASN A 76 -3.584 3.792 3.430 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.999 4.313 6.245 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.337 5.197 7.431 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.801 4.868 8.594 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -5.087 6.166 7.301 1.00 0.00 N flip ATOM 0 H ASN A 76 -3.984 6.471 4.933 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.906 4.751 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.867 4.245 5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.787 3.304 6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.481 6.387 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.314 6.747 8.108 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.407 3.554 3.932 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.119 2.732 2.768 1.00 0.00 C ATOM 1113 C ILE A 77 -1.250 1.273 3.131 1.00 0.00 C ATOM 1114 O ILE A 77 -0.524 0.758 3.981 1.00 0.00 O ATOM 1115 CB ILE A 77 0.296 2.976 2.196 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.493 4.418 1.757 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.583 2.064 1.018 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.966 5.346 2.854 1.00 0.00 C ATOM 0 H ILE A 77 -0.598 3.748 4.522 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.841 3.011 2.000 1.00 0.00 H new ATOM 0 HB ILE A 77 0.991 2.755 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.216 4.441 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.449 4.796 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.586 2.262 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.515 1.024 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.145 2.249 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.080 6.354 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.234 5.357 3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.925 4.997 3.238 1.00 0.00 H new ATOM 1130 N THR A 78 -2.196 0.623 2.502 1.00 0.00 N ATOM 1131 CA THR A 78 -2.445 -0.763 2.742 1.00 0.00 C ATOM 1132 C THR A 78 -1.996 -1.600 1.545 1.00 0.00 C ATOM 1133 O THR A 78 -2.551 -1.472 0.445 1.00 0.00 O ATOM 1134 CB THR A 78 -3.936 -0.971 3.009 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.366 -0.083 4.054 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.228 -2.406 3.408 1.00 0.00 C ATOM 0 H THR A 78 -2.813 1.047 1.809 1.00 0.00 H new ATOM 0 HA THR A 78 -1.876 -1.085 3.614 1.00 0.00 H new ATOM 0 HB THR A 78 -4.481 -0.755 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.322 -0.216 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.296 -2.523 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.922 -3.076 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.675 -2.651 4.315 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.990 -2.450 1.757 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.474 -3.288 0.666 1.00 0.00 C ATOM 1146 C ILE A 79 -1.144 -4.655 0.721 1.00 0.00 C ATOM 1147 O ILE A 79 -1.429 -5.172 1.796 1.00 0.00 O ATOM 1148 CB ILE A 79 1.070 -3.519 0.685 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.899 -2.261 0.894 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.529 -4.132 -0.613 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.528 -1.098 0.016 1.00 0.00 C ATOM 0 H ILE A 79 -0.522 -2.578 2.654 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.703 -2.739 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 79 1.232 -4.178 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.807 -1.953 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.948 -2.504 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.608 -4.286 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.030 -5.090 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.282 -3.464 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.176 -0.251 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.649 -1.379 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.490 -0.820 0.200 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.399 -5.227 -0.435 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.020 -6.531 -0.533 1.00 0.00 C ATOM 1165 C TYR A 80 -1.236 -7.417 -1.492 1.00 0.00 C ATOM 1166 O TYR A 80 -1.229 -7.166 -2.701 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.450 -6.403 -1.073 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.365 -5.483 -0.294 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.041 -5.942 0.827 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.588 -4.167 -0.702 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.910 -5.128 1.522 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.450 -3.346 -0.005 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.112 -3.833 1.103 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.982 -3.021 1.792 1.00 0.00 O ATOM 0 H TYR A 80 -1.181 -4.801 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.033 -6.970 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.400 -6.049 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.899 -7.396 -1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.884 -6.957 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.079 -3.786 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.429 -5.505 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.606 -2.326 -0.325 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.182 -3.421 2.664 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.599 -8.454 -0.966 1.00 0.00 N ATOM 1185 CA ALA A 81 -0.022 -9.486 -1.812 1.00 0.00 C ATOM 1186 C ALA A 81 -1.154 -10.393 -2.245 1.00 0.00 C ATOM 1187 O ALA A 81 -1.911 -10.883 -1.405 1.00 0.00 O ATOM 1188 CB ALA A 81 1.063 -10.279 -1.071 1.00 0.00 C ATOM 0 H ALA A 81 -0.470 -8.602 0.035 1.00 0.00 H new ATOM 0 HA ALA A 81 0.464 -9.035 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.472 -11.042 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.859 -9.603 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.629 -10.756 -0.193 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.327 -10.552 -3.544 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.401 -11.409 -4.042 1.00 0.00 C ATOM 1196 C VAL A 82 -1.834 -12.614 -4.759 1.00 0.00 C ATOM 1197 O VAL A 82 -0.900 -12.484 -5.540 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.399 -10.662 -4.970 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.712 -10.002 -6.143 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.471 -11.610 -5.483 1.00 0.00 C ATOM 0 H VAL A 82 -0.755 -10.112 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.962 -11.733 -3.166 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.858 -9.880 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.453 -9.494 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.985 -9.276 -5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.201 -10.759 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.158 -11.066 -6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.003 -12.417 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.021 -12.028 -4.640 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.402 -13.779 -4.481 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.959 -15.020 -5.073 1.00 0.00 C ATOM 1212 C GLU A 83 -3.050 -15.537 -6.006 1.00 0.00 C ATOM 1213 O GLU A 83 -4.150 -14.980 -6.035 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.622 -16.073 -4.011 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.834 -15.562 -2.821 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.629 -14.696 -1.865 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.620 -15.190 -1.304 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.249 -13.528 -1.660 1.00 0.00 O ATOM 0 H GLU A 83 -3.185 -13.884 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.044 -14.830 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.552 -16.511 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.055 -16.875 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.435 -16.415 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.019 -14.990 -3.185 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.726 -16.572 -6.779 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.616 -17.108 -7.819 1.00 0.00 C ATOM 1227 C GLU A 84 -5.091 -17.124 -7.409 1.00 0.00 C ATOM 1228 O GLU A 84 -5.933 -16.552 -8.100 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.181 -18.520 -8.205 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.800 -18.583 -8.833 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.424 -19.986 -9.262 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -2.007 -20.490 -10.243 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -0.550 -20.595 -8.612 1.00 0.00 O ATOM 0 H GLU A 84 -1.837 -17.067 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.530 -16.435 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.195 -19.151 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.907 -18.936 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.767 -17.920 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.063 -18.214 -8.120 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.408 -17.766 -6.291 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.804 -17.896 -5.876 1.00 0.00 C ATOM 1242 C ASN A 85 -7.035 -17.375 -4.462 1.00 0.00 C ATOM 1243 O ASN A 85 -8.113 -17.567 -3.897 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.256 -19.359 -5.958 1.00 0.00 C ATOM 1245 CG ASN A 85 -7.410 -19.854 -7.385 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -7.778 -19.100 -8.285 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -7.133 -21.128 -7.602 1.00 0.00 N ATOM 0 H ASN A 85 -4.731 -18.199 -5.663 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.395 -17.288 -6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.532 -19.987 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.207 -19.469 -5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.222 -21.516 -8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.830 -21.723 -6.831 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.044 -16.712 -3.889 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.130 -16.271 -2.514 1.00 0.00 C ATOM 1256 C GLN A 86 -5.470 -14.911 -2.335 1.00 0.00 C ATOM 1257 O GLN A 86 -4.936 -14.348 -3.290 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.480 -17.330 -1.638 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.060 -17.678 -2.051 1.00 0.00 C ATOM 1260 CD GLN A 86 -3.488 -18.864 -1.296 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -4.350 -19.771 -0.862 1.00 0.00 O flip ATOM 1262 NE2 GLN A 86 -2.278 -18.969 -1.107 1.00 0.00 N flip ATOM 0 H GLN A 86 -5.172 -16.469 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.173 -16.149 -2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.473 -16.980 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.088 -18.234 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.042 -17.894 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.420 -16.811 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -1.643 -18.251 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -1.909 -19.774 -0.601 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.551 -14.372 -1.127 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.934 -13.090 -0.810 1.00 0.00 C ATOM 1273 C GLU A 87 -4.272 -13.155 0.560 1.00 0.00 C ATOM 1274 O GLU A 87 -4.847 -13.692 1.512 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.976 -11.965 -0.816 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.716 -11.806 -2.133 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.704 -10.659 -2.113 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.695 -10.734 -1.357 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -7.496 -9.671 -2.853 1.00 0.00 O ATOM 0 H GLU A 87 -6.041 -14.805 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.184 -12.878 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.702 -12.154 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.480 -11.025 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.994 -11.644 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.244 -12.731 -2.362 1.00 0.00 H new ATOM 1286 N SER A 88 -3.066 -12.618 0.657 1.00 0.00 N ATOM 1287 CA SER A 88 -2.341 -12.582 1.918 1.00 0.00 C ATOM 1288 C SER A 88 -2.863 -11.464 2.824 1.00 0.00 C ATOM 1289 O SER A 88 -3.736 -10.685 2.424 1.00 0.00 O ATOM 1290 CB SER A 88 -0.848 -12.393 1.656 1.00 0.00 C ATOM 1291 OG SER A 88 -0.340 -13.426 0.829 1.00 0.00 O ATOM 0 H SER A 88 -2.566 -12.199 -0.127 1.00 0.00 H new ATOM 0 HA SER A 88 -2.499 -13.532 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.678 -11.427 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.308 -12.382 2.603 1.00 0.00 H new ATOM 0 HG SER A 88 -0.510 -13.206 -0.111 1.00 0.00 H new ATOM 1297 N THR A 89 -2.336 -11.396 4.043 1.00 0.00 N ATOM 1298 CA THR A 89 -2.716 -10.366 5.001 1.00 0.00 C ATOM 1299 C THR A 89 -2.347 -8.965 4.497 1.00 0.00 C ATOM 1300 O THR A 89 -1.542 -8.814 3.578 1.00 0.00 O ATOM 1301 CB THR A 89 -2.057 -10.630 6.372 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.777 -11.251 6.196 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.943 -11.512 7.240 1.00 0.00 C ATOM 0 H THR A 89 -1.636 -12.051 4.392 1.00 0.00 H new ATOM 0 HA THR A 89 -3.799 -10.407 5.115 1.00 0.00 H new ATOM 0 HB THR A 89 -1.925 -9.671 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.368 -11.412 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.457 -11.683 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.901 -11.018 7.402 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.107 -12.467 6.741 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.970 -7.917 5.058 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.721 -6.546 4.635 1.00 0.00 C ATOM 1313 C PRO A 90 -1.554 -5.863 5.358 1.00 0.00 C ATOM 1314 O PRO A 90 -1.352 -6.027 6.564 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.037 -5.854 4.978 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.559 -6.585 6.171 1.00 0.00 C ATOM 1317 CD PRO A 90 -3.992 -7.981 6.121 1.00 0.00 C ATOM 0 HA PRO A 90 -2.431 -6.501 3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.882 -4.798 5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.739 -5.906 4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.262 -6.082 7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.649 -6.612 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.555 -8.268 7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.763 -8.716 5.889 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.795 -5.098 4.589 1.00 0.00 N ATOM 1326 CA VAL A 91 0.164 -4.141 5.115 1.00 0.00 C ATOM 1327 C VAL A 91 -0.573 -2.873 5.462 1.00 0.00 C ATOM 1328 O VAL A 91 -1.272 -2.346 4.607 1.00 0.00 O ATOM 1329 CB VAL A 91 1.193 -3.736 4.053 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.835 -2.412 4.436 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.248 -4.801 3.848 1.00 0.00 C ATOM 0 H VAL A 91 -0.829 -5.125 3.570 1.00 0.00 H new ATOM 0 HA VAL A 91 0.659 -4.604 5.969 1.00 0.00 H new ATOM 0 HB VAL A 91 0.668 -3.622 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.565 -2.129 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.067 -1.642 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.334 -2.515 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.955 -4.471 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.777 -4.974 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.772 -5.727 3.524 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.418 -2.373 6.671 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.973 -1.077 6.995 1.00 0.00 C ATOM 1343 C VAL A 92 0.130 -0.164 7.512 1.00 0.00 C ATOM 1344 O VAL A 92 0.612 -0.327 8.634 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.105 -1.164 8.039 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.919 0.119 8.032 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -2.999 -2.371 7.784 1.00 0.00 C ATOM 0 H VAL A 92 0.079 -2.835 7.433 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.405 -0.670 6.081 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.654 -1.290 9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.716 0.048 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.272 0.962 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.354 0.269 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.787 -2.405 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.446 -2.290 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.404 -3.283 7.840 1.00 0.00 H new ATOM 1357 N ILE A 93 0.539 0.783 6.681 1.00 0.00 N ATOM 1358 CA ILE A 93 1.567 1.744 7.055 1.00 0.00 C ATOM 1359 C ILE A 93 1.051 3.164 6.889 1.00 0.00 C ATOM 1360 O ILE A 93 0.783 3.616 5.778 1.00 0.00 O ATOM 1361 CB ILE A 93 2.869 1.565 6.235 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.570 1.396 4.749 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.665 0.379 6.757 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.763 1.682 3.876 1.00 0.00 C ATOM 0 H ILE A 93 0.172 0.907 5.737 1.00 0.00 H new ATOM 0 HA ILE A 93 1.807 1.558 8.102 1.00 0.00 H new ATOM 0 HB ILE A 93 3.467 2.469 6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.228 0.377 4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.753 2.062 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.577 0.266 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.924 0.547 7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.065 -0.527 6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.489 1.545 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.091 2.709 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.573 0.999 4.131 1.00 0.00 H new ATOM 1376 N GLN A 94 0.893 3.865 7.997 1.00 0.00 N ATOM 1377 CA GLN A 94 0.359 5.213 7.960 1.00 0.00 C ATOM 1378 C GLN A 94 1.477 6.242 7.907 1.00 0.00 C ATOM 1379 O GLN A 94 2.335 6.300 8.787 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.555 5.475 9.160 1.00 0.00 C ATOM 1381 CG GLN A 94 0.080 5.156 10.506 1.00 0.00 C ATOM 1382 CD GLN A 94 -0.799 5.555 11.674 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -0.714 6.676 12.177 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.647 4.643 12.117 1.00 0.00 N ATOM 0 H GLN A 94 1.126 3.525 8.930 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.235 5.309 7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.856 6.522 9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.462 4.881 9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.288 4.088 10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.037 5.672 10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.687 3.726 11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.261 4.857 12.903 1.00 0.00 H new ATOM 1393 N GLN A 95 1.474 7.033 6.850 1.00 0.00 N ATOM 1394 CA GLN A 95 2.414 8.123 6.703 1.00 0.00 C ATOM 1395 C GLN A 95 1.656 9.414 6.436 1.00 0.00 C ATOM 1396 O GLN A 95 0.836 9.484 5.521 1.00 0.00 O ATOM 1397 CB GLN A 95 3.389 7.837 5.558 1.00 0.00 C ATOM 1398 CG GLN A 95 4.852 7.835 5.980 1.00 0.00 C ATOM 1399 CD GLN A 95 5.303 9.135 6.627 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.699 10.246 6.235 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.195 9.140 7.473 1.00 0.00 N flip ATOM 0 H GLN A 95 0.821 6.937 6.073 1.00 0.00 H new ATOM 0 HA GLN A 95 2.987 8.225 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.146 6.869 5.120 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.247 8.585 4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.018 7.015 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.473 7.640 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.639 8.265 7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.491 10.019 7.896 1.00 0.00 H new ATOM 1410 N GLU A 96 1.908 10.422 7.249 1.00 0.00 N ATOM 1411 CA GLU A 96 1.251 11.706 7.093 1.00 0.00 C ATOM 1412 C GLU A 96 2.065 12.598 6.176 1.00 0.00 C ATOM 1413 O GLU A 96 3.271 12.775 6.363 1.00 0.00 O ATOM 1414 CB GLU A 96 1.037 12.357 8.460 1.00 0.00 C ATOM 1415 CG GLU A 96 0.439 13.752 8.411 1.00 0.00 C ATOM 1416 CD GLU A 96 0.148 14.290 9.796 1.00 0.00 C ATOM 1417 OE1 GLU A 96 1.106 14.521 10.561 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -1.041 14.481 10.131 1.00 0.00 O ATOM 0 H GLU A 96 2.566 10.376 8.027 1.00 0.00 H new ATOM 0 HA GLU A 96 0.273 11.558 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.384 11.717 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.995 12.405 8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.127 14.424 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.482 13.732 7.828 1.00 0.00 H new ATOM 1425 N THR A 97 1.391 13.131 5.173 1.00 0.00 N ATOM 1426 CA THR A 97 2.019 13.949 4.156 1.00 0.00 C ATOM 1427 C THR A 97 2.682 15.175 4.775 1.00 0.00 C ATOM 1428 O THR A 97 2.185 15.749 5.747 1.00 0.00 O ATOM 1429 CB THR A 97 0.976 14.383 3.119 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.125 15.012 3.784 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.474 13.181 2.333 1.00 0.00 C ATOM 0 H THR A 97 0.387 13.007 5.042 1.00 0.00 H new ATOM 0 HA THR A 97 2.791 13.356 3.665 1.00 0.00 H new ATOM 0 HB THR A 97 1.440 15.086 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.927 14.942 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.265 13.507 1.602 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.310 12.708 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.017 12.465 3.016 1.00 0.00 H new ATOM 1439 N THR A 98 3.810 15.565 4.193 1.00 0.00 N ATOM 1440 CA THR A 98 4.660 16.602 4.758 1.00 0.00 C ATOM 1441 C THR A 98 3.988 17.968 4.690 1.00 0.00 C ATOM 1442 O THR A 98 4.191 18.803 5.574 1.00 0.00 O ATOM 1443 CB THR A 98 5.992 16.657 3.989 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.530 15.334 3.857 1.00 0.00 O ATOM 1445 CG2 THR A 98 7.003 17.549 4.695 1.00 0.00 C ATOM 0 H THR A 98 4.159 15.172 3.319 1.00 0.00 H new ATOM 0 HA THR A 98 4.839 16.356 5.805 1.00 0.00 H new ATOM 0 HB THR A 98 5.795 17.078 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.807 15.184 2.929 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.933 17.566 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.605 18.561 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.196 17.160 5.695 1.00 0.00 H new