USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.908 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.91,f=-2!) USER MOD Single : A 11 CYS SG : rot -170:sc= -6.23! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.137 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 32 SER OG : rot -160:sc= -0.69 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.92 K(o=-0.92,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.513 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.885 -3.765 -9.538 1.00 0.00 N ATOM 102 CA ASP A 7 91.149 -4.586 -8.314 1.00 0.00 C ATOM 103 C ASP A 7 90.164 -4.208 -7.198 1.00 0.00 C ATOM 104 O ASP A 7 89.924 -4.986 -6.293 1.00 0.00 O ATOM 105 CB ASP A 7 92.587 -4.264 -7.899 1.00 0.00 C ATOM 106 CG ASP A 7 93.011 -5.195 -6.761 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.439 -6.299 -7.053 1.00 0.00 O ATOM 108 OD2 ASP A 7 92.898 -4.788 -5.617 1.00 0.00 O ATOM 0 HA ASP A 7 91.020 -5.651 -8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 7 93.258 -4.384 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.660 -3.225 -7.579 1.00 0.00 H new ATOM 113 N TRP A 8 89.593 -3.022 -7.255 1.00 0.00 N ATOM 114 CA TRP A 8 88.648 -2.588 -6.181 1.00 0.00 C ATOM 115 C TRP A 8 87.275 -3.251 -6.338 1.00 0.00 C ATOM 116 O TRP A 8 86.473 -3.219 -5.427 1.00 0.00 O ATOM 117 CB TRP A 8 88.511 -1.075 -6.324 1.00 0.00 C ATOM 118 CG TRP A 8 89.608 -0.296 -5.671 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.229 0.766 -6.233 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.221 -0.489 -4.361 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.187 1.255 -5.357 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.237 0.523 -4.191 1.00 0.00 C ATOM 123 CE3 TRP A 8 90.013 -1.435 -3.290 1.00 0.00 C ATOM 124 CZ2 TRP A 8 92.024 0.602 -3.001 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.804 -1.361 -2.091 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.808 -0.345 -1.950 1.00 0.00 C ATOM 0 H TRP A 8 89.743 -2.341 -7.999 1.00 0.00 H new ATOM 0 HA TRP A 8 89.027 -2.876 -5.200 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.483 -0.823 -7.384 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.557 -0.766 -5.897 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.013 1.170 -7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.783 2.060 -5.553 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.259 -2.202 -3.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.776 1.370 -2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.642 -2.072 -1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.402 -0.295 -1.049 1.00 0.00 H new ATOM 137 N ILE A 9 86.985 -3.856 -7.473 1.00 0.00 N ATOM 138 CA ILE A 9 85.599 -4.395 -7.701 1.00 0.00 C ATOM 139 C ILE A 9 85.216 -5.367 -6.569 1.00 0.00 C ATOM 140 O ILE A 9 85.952 -6.280 -6.244 1.00 0.00 O ATOM 141 CB ILE A 9 85.645 -5.113 -9.064 1.00 0.00 C ATOM 142 CG1 ILE A 9 86.005 -4.116 -10.183 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.279 -5.743 -9.371 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.981 -2.974 -10.241 1.00 0.00 C ATOM 0 H ILE A 9 87.640 -3.998 -8.242 1.00 0.00 H new ATOM 0 HA ILE A 9 84.848 -3.605 -7.703 1.00 0.00 H new ATOM 0 HB ILE A 9 86.406 -5.892 -9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 9 87.001 -3.710 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE A 9 86.035 -4.633 -11.142 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.320 -6.248 -10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.028 -6.465 -8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.518 -4.964 -9.402 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.253 -2.281 -11.037 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.990 -3.383 -10.439 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.971 -2.445 -9.288 1.00 0.00 H new ATOM 156 N GLY A 10 84.066 -5.162 -5.980 1.00 0.00 N ATOM 157 CA GLY A 10 83.647 -5.991 -4.812 1.00 0.00 C ATOM 158 C GLY A 10 84.217 -5.448 -3.488 1.00 0.00 C ATOM 159 O GLY A 10 83.953 -6.010 -2.439 1.00 0.00 O ATOM 0 H GLY A 10 83.394 -4.449 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.559 -6.015 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.982 -7.018 -4.957 1.00 0.00 H new ATOM 163 N CYS A 11 84.989 -4.373 -3.509 1.00 0.00 N ATOM 164 CA CYS A 11 85.511 -3.808 -2.217 1.00 0.00 C ATOM 165 C CYS A 11 84.462 -2.877 -1.573 1.00 0.00 C ATOM 166 O CYS A 11 83.617 -2.326 -2.253 1.00 0.00 O ATOM 167 CB CYS A 11 86.853 -3.096 -2.562 1.00 0.00 C ATOM 168 SG CYS A 11 86.638 -1.392 -3.185 1.00 0.00 S ATOM 0 H CYS A 11 85.274 -3.873 -4.351 1.00 0.00 H new ATOM 0 HA CYS A 11 85.697 -4.579 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.481 -3.072 -1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.384 -3.683 -3.311 1.00 0.00 H new ATOM 0 HG CYS A 11 87.773 -0.950 -3.641 1.00 0.00 H new ATOM 174 N ALA A 12 84.521 -2.706 -0.276 1.00 0.00 N ATOM 175 CA ALA A 12 83.471 -1.908 0.434 1.00 0.00 C ATOM 176 C ALA A 12 83.896 -0.442 0.539 1.00 0.00 C ATOM 177 O ALA A 12 84.929 -0.138 1.107 1.00 0.00 O ATOM 178 CB ALA A 12 83.381 -2.535 1.826 1.00 0.00 C ATOM 0 H ALA A 12 85.253 -3.085 0.325 1.00 0.00 H new ATOM 0 HA ALA A 12 82.516 -1.924 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.631 -2.007 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.099 -3.584 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.349 -2.461 2.322 1.00 0.00 H new ATOM 184 N VAL A 13 83.110 0.464 0.004 1.00 0.00 N ATOM 185 CA VAL A 13 83.490 1.911 0.049 1.00 0.00 C ATOM 186 C VAL A 13 82.282 2.781 0.416 1.00 0.00 C ATOM 187 O VAL A 13 81.143 2.379 0.258 1.00 0.00 O ATOM 188 CB VAL A 13 83.995 2.243 -1.362 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.203 1.367 -1.691 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.889 1.982 -2.393 1.00 0.00 C ATOM 0 H VAL A 13 82.224 0.263 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 13 84.250 2.106 0.806 1.00 0.00 H new ATOM 0 HB VAL A 13 84.279 3.295 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.561 1.603 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.997 1.555 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.914 0.317 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.258 2.221 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.597 0.932 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.025 2.607 -2.166 1.00 0.00 H new ATOM 200 N SER A 14 82.533 3.971 0.905 1.00 0.00 N ATOM 201 CA SER A 14 81.426 4.932 1.172 1.00 0.00 C ATOM 202 C SER A 14 81.659 6.207 0.368 1.00 0.00 C ATOM 203 O SER A 14 82.779 6.671 0.249 1.00 0.00 O ATOM 204 CB SER A 14 81.491 5.218 2.672 1.00 0.00 C ATOM 205 OG SER A 14 80.545 6.226 3.001 1.00 0.00 O ATOM 0 H SER A 14 83.465 4.317 1.131 1.00 0.00 H new ATOM 0 HA SER A 14 80.450 4.539 0.886 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.282 4.309 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.495 5.541 2.949 1.00 0.00 H new ATOM 0 HG SER A 14 80.584 6.410 3.963 1.00 0.00 H new ATOM 211 N ILE A 15 80.616 6.775 -0.181 1.00 0.00 N ATOM 212 CA ILE A 15 80.792 7.941 -1.099 1.00 0.00 C ATOM 213 C ILE A 15 80.029 9.147 -0.558 1.00 0.00 C ATOM 214 O ILE A 15 78.827 9.092 -0.365 1.00 0.00 O ATOM 215 CB ILE A 15 80.202 7.512 -2.458 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.732 6.126 -2.903 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.582 8.552 -3.517 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.265 6.087 -2.871 1.00 0.00 C ATOM 0 H ILE A 15 79.650 6.482 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 15 81.841 8.222 -1.191 1.00 0.00 H new ATOM 0 HB ILE A 15 79.120 7.443 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.331 5.352 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.380 5.905 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.169 8.257 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.180 9.524 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.668 8.616 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.611 5.103 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.662 6.846 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.613 6.285 -1.857 1.00 0.00 H new ATOM 230 N ALA A 16 80.720 10.233 -0.318 1.00 0.00 N ATOM 231 CA ALA A 16 80.041 11.475 0.145 1.00 0.00 C ATOM 232 C ALA A 16 79.816 12.405 -1.045 1.00 0.00 C ATOM 233 O ALA A 16 80.750 12.961 -1.591 1.00 0.00 O ATOM 234 CB ALA A 16 81.003 12.107 1.150 1.00 0.00 C ATOM 0 H ALA A 16 81.732 10.310 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 16 79.067 11.279 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.571 13.030 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.176 11.414 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.950 12.328 0.658 1.00 0.00 H new ATOM 240 N CYS A 17 78.584 12.569 -1.449 1.00 0.00 N ATOM 241 CA CYS A 17 78.264 13.493 -2.578 1.00 0.00 C ATOM 242 C CYS A 17 77.872 14.861 -2.020 1.00 0.00 C ATOM 243 O CYS A 17 77.623 15.002 -0.836 1.00 0.00 O ATOM 244 CB CYS A 17 77.080 12.861 -3.320 1.00 0.00 C ATOM 245 SG CYS A 17 77.506 11.190 -3.888 1.00 0.00 S ATOM 0 H CYS A 17 77.777 12.097 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 17 79.115 13.635 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.212 12.818 -2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.804 13.482 -4.172 1.00 0.00 H new ATOM 0 HG CYS A 17 76.490 10.671 -4.512 1.00 0.00 H new ATOM 251 N ASP A 18 77.814 15.870 -2.857 1.00 0.00 N ATOM 252 CA ASP A 18 77.491 17.248 -2.362 1.00 0.00 C ATOM 253 C ASP A 18 76.118 17.250 -1.673 1.00 0.00 C ATOM 254 O ASP A 18 75.382 16.285 -1.738 1.00 0.00 O ATOM 255 CB ASP A 18 77.485 18.148 -3.601 1.00 0.00 C ATOM 256 CG ASP A 18 78.883 18.180 -4.230 1.00 0.00 C ATOM 257 OD1 ASP A 18 79.849 18.033 -3.498 1.00 0.00 O ATOM 258 OD2 ASP A 18 78.963 18.352 -5.435 1.00 0.00 O ATOM 0 H ASP A 18 77.976 15.799 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 18 78.216 17.599 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.759 17.779 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.177 19.157 -3.327 1.00 0.00 H new ATOM 263 N GLU A 19 75.777 18.329 -1.015 1.00 0.00 N ATOM 264 CA GLU A 19 74.628 18.304 -0.047 1.00 0.00 C ATOM 265 C GLU A 19 73.340 17.790 -0.705 1.00 0.00 C ATOM 266 O GLU A 19 72.540 17.129 -0.067 1.00 0.00 O ATOM 267 CB GLU A 19 74.445 19.757 0.399 1.00 0.00 C ATOM 268 CG GLU A 19 75.682 20.213 1.184 1.00 0.00 C ATOM 269 CD GLU A 19 75.490 21.647 1.702 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.642 22.352 1.173 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.198 22.016 2.625 1.00 0.00 O ATOM 0 H GLU A 19 76.244 19.231 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 19 74.835 17.632 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.296 20.399 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.554 19.848 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.858 19.538 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.564 20.165 0.545 1.00 0.00 H new ATOM 278 N VAL A 20 73.135 18.085 -1.965 1.00 0.00 N ATOM 279 CA VAL A 20 71.856 17.679 -2.635 1.00 0.00 C ATOM 280 C VAL A 20 71.864 16.170 -2.929 1.00 0.00 C ATOM 281 O VAL A 20 70.822 15.549 -3.030 1.00 0.00 O ATOM 282 CB VAL A 20 71.806 18.492 -3.936 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.532 18.152 -4.717 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.806 19.988 -3.606 1.00 0.00 C ATOM 0 H VAL A 20 73.794 18.588 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 20 70.984 17.870 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 20 72.679 18.246 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.504 18.733 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.526 17.089 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.659 18.392 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.771 20.564 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.934 20.226 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.713 20.239 -3.056 1.00 0.00 H new ATOM 294 N LEU A 21 73.028 15.583 -3.066 1.00 0.00 N ATOM 295 CA LEU A 21 73.114 14.120 -3.364 1.00 0.00 C ATOM 296 C LEU A 21 73.194 13.284 -2.075 1.00 0.00 C ATOM 297 O LEU A 21 72.972 12.087 -2.099 1.00 0.00 O ATOM 298 CB LEU A 21 74.397 13.981 -4.176 1.00 0.00 C ATOM 299 CG LEU A 21 74.226 14.664 -5.535 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.554 14.631 -6.293 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.161 13.925 -6.350 1.00 0.00 C ATOM 0 H LEU A 21 73.927 16.058 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 21 72.234 13.758 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.231 14.429 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.638 12.927 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 21 73.917 15.698 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.433 15.117 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.315 15.156 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 21 75.862 13.596 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.040 14.412 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.471 12.891 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.213 13.945 -5.813 1.00 0.00 H new ATOM 313 N GLY A 22 73.506 13.899 -0.956 1.00 0.00 N ATOM 314 CA GLY A 22 73.595 13.139 0.331 1.00 0.00 C ATOM 315 C GLY A 22 74.737 12.118 0.267 1.00 0.00 C ATOM 316 O GLY A 22 75.700 12.292 -0.457 1.00 0.00 O ATOM 0 H GLY A 22 73.703 14.897 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.761 13.829 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.652 12.628 0.526 1.00 0.00 H new ATOM 320 N VAL A 23 74.632 11.051 1.023 1.00 0.00 N ATOM 321 CA VAL A 23 75.749 10.053 1.092 1.00 0.00 C ATOM 322 C VAL A 23 75.198 8.640 0.897 1.00 0.00 C ATOM 323 O VAL A 23 74.159 8.301 1.434 1.00 0.00 O ATOM 324 CB VAL A 23 76.342 10.197 2.501 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.536 9.245 2.661 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.808 11.639 2.725 1.00 0.00 C ATOM 0 H VAL A 23 73.819 10.827 1.597 1.00 0.00 H new ATOM 0 HA VAL A 23 76.497 10.224 0.318 1.00 0.00 H new ATOM 0 HB VAL A 23 75.576 9.947 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.954 9.350 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.204 8.217 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.299 9.490 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.228 11.734 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.568 11.894 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.960 12.316 2.621 1.00 0.00 H new ATOM 336 N PHE A 24 75.886 7.816 0.139 1.00 0.00 N ATOM 337 CA PHE A 24 75.467 6.388 0.023 1.00 0.00 C ATOM 338 C PHE A 24 76.657 5.460 0.290 1.00 0.00 C ATOM 339 O PHE A 24 77.799 5.859 0.190 1.00 0.00 O ATOM 340 CB PHE A 24 74.943 6.198 -1.410 1.00 0.00 C ATOM 341 CG PHE A 24 76.002 6.303 -2.489 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.727 5.129 -2.879 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.302 7.568 -3.101 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.745 5.215 -3.887 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.322 7.651 -4.106 1.00 0.00 C ATOM 346 CZ PHE A 24 78.041 6.476 -4.500 1.00 0.00 C ATOM 0 H PHE A 24 76.714 8.072 -0.399 1.00 0.00 H new ATOM 0 HA PHE A 24 74.697 6.143 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.466 5.221 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.172 6.944 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.507 4.179 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.761 8.454 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.288 4.330 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.549 8.601 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.806 6.541 -5.259 1.00 0.00 H new ATOM 356 N GLN A 25 76.385 4.229 0.632 1.00 0.00 N ATOM 357 CA GLN A 25 77.478 3.238 0.858 1.00 0.00 C ATOM 358 C GLN A 25 77.112 1.911 0.188 1.00 0.00 C ATOM 359 O GLN A 25 75.950 1.546 0.119 1.00 0.00 O ATOM 360 CB GLN A 25 77.563 3.081 2.376 1.00 0.00 C ATOM 361 CG GLN A 25 77.944 4.426 3.003 1.00 0.00 C ATOM 362 CD GLN A 25 77.997 4.305 4.530 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.986 3.216 5.072 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.050 5.390 5.252 1.00 0.00 N ATOM 0 H GLN A 25 75.442 3.864 0.766 1.00 0.00 H new ATOM 0 HA GLN A 25 78.432 3.556 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.607 2.740 2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.303 2.324 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.913 4.751 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.218 5.187 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.059 6.304 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.082 5.325 6.269 1.00 0.00 H new ATOM 373 N GLY A 26 78.093 1.195 -0.309 1.00 0.00 N ATOM 374 CA GLY A 26 77.801 -0.072 -1.044 1.00 0.00 C ATOM 375 C GLY A 26 79.108 -0.758 -1.441 1.00 0.00 C ATOM 376 O GLY A 26 80.179 -0.190 -1.324 1.00 0.00 O ATOM 0 H GLY A 26 79.082 1.435 -0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.207 -0.737 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.208 0.142 -1.933 1.00 0.00 H new ATOM 380 N LEU A 27 79.024 -1.981 -1.905 1.00 0.00 N ATOM 381 CA LEU A 27 80.225 -2.651 -2.485 1.00 0.00 C ATOM 382 C LEU A 27 80.309 -2.368 -3.987 1.00 0.00 C ATOM 383 O LEU A 27 79.323 -2.420 -4.698 1.00 0.00 O ATOM 384 CB LEU A 27 80.013 -4.145 -2.232 1.00 0.00 C ATOM 385 CG LEU A 27 80.100 -4.427 -0.731 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.552 -5.826 -0.442 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.565 -4.350 -0.282 1.00 0.00 C ATOM 0 H LEU A 27 78.173 -2.543 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 27 81.153 -2.293 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 27 79.041 -4.455 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.766 -4.725 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 27 79.513 -3.687 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.614 -6.027 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.512 -5.883 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.140 -6.566 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.629 -4.551 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.152 -5.090 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.957 -3.354 -0.488 1.00 0.00 H new ATOM 399 N ILE A 28 81.488 -2.069 -4.463 1.00 0.00 N ATOM 400 CA ILE A 28 81.663 -1.711 -5.907 1.00 0.00 C ATOM 401 C ILE A 28 81.385 -2.929 -6.800 1.00 0.00 C ATOM 402 O ILE A 28 81.802 -4.032 -6.506 1.00 0.00 O ATOM 403 CB ILE A 28 83.132 -1.265 -6.031 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.364 -0.037 -5.139 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.458 -0.912 -7.488 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.849 0.339 -5.154 1.00 0.00 C ATOM 0 H ILE A 28 82.346 -2.056 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 28 80.973 -0.930 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 28 83.782 -2.080 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.763 0.801 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 28 83.043 -0.250 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.499 -0.598 -7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.297 -1.786 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.810 -0.101 -7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 28 85.010 1.211 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.440 -0.497 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.155 0.571 -6.174 1.00 0.00 H new ATOM 418 N LYS A 29 80.678 -2.727 -7.884 1.00 0.00 N ATOM 419 CA LYS A 29 80.498 -3.820 -8.887 1.00 0.00 C ATOM 420 C LYS A 29 81.328 -3.521 -10.139 1.00 0.00 C ATOM 421 O LYS A 29 81.864 -4.418 -10.764 1.00 0.00 O ATOM 422 CB LYS A 29 79.007 -3.824 -9.222 1.00 0.00 C ATOM 423 CG LYS A 29 78.703 -4.980 -10.177 1.00 0.00 C ATOM 424 CD LYS A 29 77.238 -4.914 -10.616 1.00 0.00 C ATOM 425 CE LYS A 29 76.902 -6.142 -11.464 1.00 0.00 C ATOM 426 NZ LYS A 29 76.349 -7.135 -10.501 1.00 0.00 N ATOM 0 H LYS A 29 80.216 -1.848 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 29 80.826 -4.787 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.419 -3.927 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.723 -2.876 -9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.356 -4.927 -11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.903 -5.932 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.587 -4.873 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.060 -4.004 -11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.177 -5.899 -12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.789 -6.530 -11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.095 -8.006 -11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.064 -7.352 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.502 -6.741 -10.044 1.00 0.00 H new ATOM 440 N GLN A 30 81.434 -2.268 -10.508 1.00 0.00 N ATOM 441 CA GLN A 30 82.212 -1.894 -11.731 1.00 0.00 C ATOM 442 C GLN A 30 82.759 -0.475 -11.576 1.00 0.00 C ATOM 443 O GLN A 30 82.188 0.342 -10.879 1.00 0.00 O ATOM 444 CB GLN A 30 81.223 -1.959 -12.903 1.00 0.00 C ATOM 445 CG GLN A 30 80.888 -3.417 -13.235 1.00 0.00 C ATOM 446 CD GLN A 30 79.975 -3.465 -14.464 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.296 -2.505 -14.771 1.00 0.00 O ATOM 448 NE2 GLN A 30 79.931 -4.552 -15.184 1.00 0.00 N ATOM 0 H GLN A 30 81.012 -1.483 -10.012 1.00 0.00 H new ATOM 0 HA GLN A 30 83.058 -2.562 -11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.311 -1.418 -12.649 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.652 -1.469 -13.777 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.803 -3.977 -13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.397 -3.891 -12.385 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.501 -5.358 -14.926 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.327 -4.596 -16.005 1.00 0.00 H new ATOM 457 N ILE A 31 83.861 -0.178 -12.222 1.00 0.00 N ATOM 458 CA ILE A 31 84.475 1.178 -12.087 1.00 0.00 C ATOM 459 C ILE A 31 84.993 1.655 -13.447 1.00 0.00 C ATOM 460 O ILE A 31 85.561 0.895 -14.209 1.00 0.00 O ATOM 461 CB ILE A 31 85.629 1.026 -11.084 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.081 0.509 -9.742 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.317 2.385 -10.870 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.227 0.294 -8.748 1.00 0.00 C ATOM 0 H ILE A 31 84.362 -0.819 -12.838 1.00 0.00 H new ATOM 0 HA ILE A 31 83.753 1.917 -11.741 1.00 0.00 H new ATOM 0 HB ILE A 31 86.355 0.315 -11.478 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.366 1.223 -9.334 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.544 -0.427 -9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.134 2.271 -10.158 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.711 2.747 -11.820 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.594 3.102 -10.481 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.825 -0.072 -7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.927 -0.437 -9.152 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.745 1.238 -8.581 1.00 0.00 H new ATOM 476 N SER A 32 84.794 2.912 -13.746 1.00 0.00 N ATOM 477 CA SER A 32 85.370 3.501 -14.990 1.00 0.00 C ATOM 478 C SER A 32 85.739 4.963 -14.736 1.00 0.00 C ATOM 479 O SER A 32 85.215 5.594 -13.839 1.00 0.00 O ATOM 480 CB SER A 32 84.264 3.397 -16.037 1.00 0.00 C ATOM 481 OG SER A 32 83.175 4.228 -15.655 1.00 0.00 O ATOM 0 H SER A 32 84.252 3.561 -13.176 1.00 0.00 H new ATOM 0 HA SER A 32 86.274 2.988 -15.317 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.642 3.700 -17.013 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.932 2.363 -16.130 1.00 0.00 H new ATOM 0 HG SER A 32 82.363 3.939 -16.122 1.00 0.00 H new ATOM 487 N ALA A 33 86.628 5.507 -15.528 1.00 0.00 N ATOM 488 CA ALA A 33 87.189 6.866 -15.223 1.00 0.00 C ATOM 489 C ALA A 33 86.075 7.913 -15.076 1.00 0.00 C ATOM 490 O ALA A 33 86.258 8.928 -14.431 1.00 0.00 O ATOM 491 CB ALA A 33 88.085 7.210 -16.416 1.00 0.00 C ATOM 0 H ALA A 33 86.992 5.071 -16.375 1.00 0.00 H new ATOM 0 HA ALA A 33 87.736 6.865 -14.280 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.531 8.193 -16.264 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.874 6.463 -16.506 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.488 7.219 -17.328 1.00 0.00 H new ATOM 497 N GLU A 34 84.927 7.675 -15.668 1.00 0.00 N ATOM 498 CA GLU A 34 83.851 8.714 -15.672 1.00 0.00 C ATOM 499 C GLU A 34 82.893 8.526 -14.487 1.00 0.00 C ATOM 500 O GLU A 34 82.273 9.471 -14.036 1.00 0.00 O ATOM 501 CB GLU A 34 83.113 8.517 -16.997 1.00 0.00 C ATOM 502 CG GLU A 34 84.071 8.793 -18.162 1.00 0.00 C ATOM 503 CD GLU A 34 83.332 8.673 -19.505 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.271 8.066 -19.538 1.00 0.00 O ATOM 505 OE2 GLU A 34 83.844 9.193 -20.482 1.00 0.00 O ATOM 0 H GLU A 34 84.691 6.806 -16.148 1.00 0.00 H new ATOM 0 HA GLU A 34 84.262 9.719 -15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.727 7.500 -17.063 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.255 9.187 -17.051 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.497 9.791 -18.062 1.00 0.00 H new ATOM 0 HG3 GLU A 34 84.902 8.088 -18.133 1.00 0.00 H new ATOM 512 N GLU A 35 82.768 7.320 -13.981 1.00 0.00 N ATOM 513 CA GLU A 35 81.722 7.046 -12.943 1.00 0.00 C ATOM 514 C GLU A 35 82.095 5.826 -12.090 1.00 0.00 C ATOM 515 O GLU A 35 82.874 4.985 -12.495 1.00 0.00 O ATOM 516 CB GLU A 35 80.431 6.792 -13.731 1.00 0.00 C ATOM 517 CG GLU A 35 80.614 5.595 -14.672 1.00 0.00 C ATOM 518 CD GLU A 35 79.369 5.436 -15.546 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.971 6.413 -16.158 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.835 4.340 -15.588 1.00 0.00 O ATOM 0 H GLU A 35 83.342 6.518 -14.241 1.00 0.00 H new ATOM 0 HA GLU A 35 81.616 7.878 -12.247 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.608 6.601 -13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.166 7.679 -14.306 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.494 5.743 -15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.783 4.687 -14.093 1.00 0.00 H new ATOM 527 N ILE A 36 81.538 5.733 -10.907 1.00 0.00 N ATOM 528 CA ILE A 36 81.701 4.497 -10.079 1.00 0.00 C ATOM 529 C ILE A 36 80.343 3.803 -9.923 1.00 0.00 C ATOM 530 O ILE A 36 79.331 4.456 -9.744 1.00 0.00 O ATOM 531 CB ILE A 36 82.210 4.986 -8.714 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.515 5.790 -8.880 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.461 3.782 -7.801 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.599 4.929 -9.541 1.00 0.00 C ATOM 0 H ILE A 36 80.974 6.465 -10.477 1.00 0.00 H new ATOM 0 HA ILE A 36 82.388 3.781 -10.531 1.00 0.00 H new ATOM 0 HB ILE A 36 81.455 5.634 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.328 6.677 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.862 6.136 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.822 4.129 -6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.532 3.229 -7.665 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.208 3.131 -8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.512 5.514 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.799 4.056 -8.920 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.257 4.605 -10.524 1.00 0.00 H new ATOM 546 N THR A 37 80.313 2.490 -9.990 1.00 0.00 N ATOM 547 CA THR A 37 79.008 1.760 -9.907 1.00 0.00 C ATOM 548 C THR A 37 79.042 0.731 -8.770 1.00 0.00 C ATOM 549 O THR A 37 79.972 -0.045 -8.657 1.00 0.00 O ATOM 550 CB THR A 37 78.866 1.056 -11.258 1.00 0.00 C ATOM 551 OG1 THR A 37 78.950 2.017 -12.302 1.00 0.00 O ATOM 552 CG2 THR A 37 77.515 0.342 -11.327 1.00 0.00 C ATOM 0 H THR A 37 81.135 1.896 -10.098 1.00 0.00 H new ATOM 0 HA THR A 37 78.174 2.431 -9.702 1.00 0.00 H new ATOM 0 HB THR A 37 79.666 0.324 -11.371 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.861 1.568 -13.168 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.417 -0.158 -12.290 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.452 -0.395 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.712 1.070 -11.213 1.00 0.00 H new ATOM 560 N ILE A 38 78.030 0.719 -7.933 1.00 0.00 N ATOM 561 CA ILE A 38 78.014 -0.222 -6.761 1.00 0.00 C ATOM 562 C ILE A 38 76.644 -0.901 -6.636 1.00 0.00 C ATOM 563 O ILE A 38 75.711 -0.580 -7.345 1.00 0.00 O ATOM 564 CB ILE A 38 78.284 0.627 -5.508 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.265 1.773 -5.435 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.709 1.192 -5.547 1.00 0.00 C ATOM 567 CD1 ILE A 38 77.002 2.140 -3.977 1.00 0.00 C ATOM 0 H ILE A 38 77.211 1.322 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 38 78.764 -1.003 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 38 78.184 -0.001 -4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.641 2.641 -5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.334 1.475 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.887 1.791 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.425 0.371 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.829 1.816 -6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.278 2.954 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.606 1.272 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.934 2.456 -3.508 1.00 0.00 H new ATOM 579 N VAL A 39 76.531 -1.835 -5.726 1.00 0.00 N ATOM 580 CA VAL A 39 75.257 -2.606 -5.565 1.00 0.00 C ATOM 581 C VAL A 39 74.802 -2.582 -4.101 1.00 0.00 C ATOM 582 O VAL A 39 75.566 -2.255 -3.217 1.00 0.00 O ATOM 583 CB VAL A 39 75.576 -4.033 -6.020 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.991 -4.007 -7.491 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.720 -4.611 -5.178 1.00 0.00 C ATOM 0 H VAL A 39 77.274 -2.100 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 39 74.444 -2.178 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 39 74.692 -4.658 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.220 -5.020 -7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.176 -3.604 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.874 -3.379 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.939 -5.626 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.608 -3.991 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.427 -4.628 -4.128 1.00 0.00 H new ATOM 595 N ARG A 40 73.556 -2.922 -3.848 1.00 0.00 N ATOM 596 CA ARG A 40 72.966 -2.784 -2.470 1.00 0.00 C ATOM 597 C ARG A 40 73.034 -1.322 -2.024 1.00 0.00 C ATOM 598 O ARG A 40 73.743 -0.974 -1.099 1.00 0.00 O ATOM 599 CB ARG A 40 73.790 -3.684 -1.528 1.00 0.00 C ATOM 600 CG ARG A 40 73.823 -5.120 -2.064 1.00 0.00 C ATOM 601 CD ARG A 40 72.492 -5.812 -1.761 1.00 0.00 C ATOM 602 NE ARG A 40 72.665 -7.217 -2.251 1.00 0.00 N ATOM 603 CZ ARG A 40 71.939 -8.216 -1.780 1.00 0.00 C ATOM 604 NH1 ARG A 40 71.020 -8.036 -0.856 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.138 -9.418 -2.247 1.00 0.00 N ATOM 0 H ARG A 40 72.913 -3.294 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 40 71.919 -3.086 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.805 -3.297 -1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.356 -3.671 -0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 40 74.005 -5.114 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.644 -5.671 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 40 72.270 -5.791 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.665 -5.316 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 40 73.364 -7.408 -2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 40 70.850 -7.103 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 40 70.478 -8.830 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.845 -9.576 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 40 71.586 -10.200 -1.894 1.00 0.00 H new ATOM 619 N ALA A 41 72.294 -0.470 -2.688 1.00 0.00 N ATOM 620 CA ALA A 41 72.375 0.998 -2.401 1.00 0.00 C ATOM 621 C ALA A 41 71.798 1.328 -1.022 1.00 0.00 C ATOM 622 O ALA A 41 70.616 1.158 -0.773 1.00 0.00 O ATOM 623 CB ALA A 41 71.528 1.665 -3.488 1.00 0.00 C ATOM 0 H ALA A 41 71.633 -0.728 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 41 73.409 1.343 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.538 2.746 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 41 71.939 1.425 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.503 1.300 -3.425 1.00 0.00 H new ATOM 629 N PHE A 42 72.626 1.800 -0.125 1.00 0.00 N ATOM 630 CA PHE A 42 72.110 2.364 1.158 1.00 0.00 C ATOM 631 C PHE A 42 72.458 3.851 1.245 1.00 0.00 C ATOM 632 O PHE A 42 73.558 4.251 0.926 1.00 0.00 O ATOM 633 CB PHE A 42 72.809 1.571 2.265 1.00 0.00 C ATOM 634 CG PHE A 42 72.053 0.333 2.700 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.075 -0.859 1.896 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.309 0.353 3.927 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.354 -2.024 2.322 1.00 0.00 C ATOM 638 CE2 PHE A 42 70.588 -0.813 4.351 1.00 0.00 C ATOM 639 CZ PHE A 42 70.611 -2.002 3.548 1.00 0.00 C ATOM 0 H PHE A 42 73.641 1.819 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 42 71.026 2.284 1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 42 73.800 1.277 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 42 72.953 2.220 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 42 72.634 -0.877 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.292 1.247 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 42 71.371 -2.919 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.028 -0.796 5.274 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.069 -2.880 3.867 1.00 0.00 H new ATOM 649 N ARG A 43 71.528 4.665 1.677 1.00 0.00 N ATOM 650 CA ARG A 43 71.773 6.138 1.746 1.00 0.00 C ATOM 651 C ARG A 43 71.273 6.682 3.083 1.00 0.00 C ATOM 652 O ARG A 43 70.268 6.240 3.601 1.00 0.00 O ATOM 653 CB ARG A 43 70.962 6.727 0.593 1.00 0.00 C ATOM 654 CG ARG A 43 71.213 8.234 0.506 1.00 0.00 C ATOM 655 CD ARG A 43 70.324 8.836 -0.586 1.00 0.00 C ATOM 656 NE ARG A 43 70.693 10.287 -0.636 1.00 0.00 N ATOM 657 CZ ARG A 43 69.877 11.196 -1.145 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.704 10.876 -1.647 1.00 0.00 N ATOM 659 NH2 ARG A 43 70.248 12.447 -1.152 1.00 0.00 N ATOM 0 H ARG A 43 70.602 4.370 1.987 1.00 0.00 H new ATOM 0 HA ARG A 43 72.831 6.390 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.242 6.247 -0.345 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.900 6.533 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.999 8.705 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.262 8.427 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.498 8.352 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 43 69.268 8.706 -0.350 1.00 0.00 H new ATOM 0 HE ARG A 43 71.597 10.582 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.400 9.902 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.099 11.601 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.155 12.712 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.631 13.160 -1.541 1.00 0.00 H new ATOM 673 N ASN A 44 71.970 7.640 3.653 1.00 0.00 N ATOM 674 CA ASN A 44 71.553 8.212 4.983 1.00 0.00 C ATOM 675 C ASN A 44 71.342 7.099 6.024 1.00 0.00 C ATOM 676 O ASN A 44 70.426 7.153 6.823 1.00 0.00 O ATOM 677 CB ASN A 44 70.237 8.953 4.717 1.00 0.00 C ATOM 678 CG ASN A 44 70.467 10.055 3.681 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.705 10.192 2.743 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.492 10.854 3.808 1.00 0.00 N ATOM 0 H ASN A 44 72.813 8.054 3.255 1.00 0.00 H new ATOM 0 HA ASN A 44 72.319 8.873 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.481 8.255 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.858 9.385 5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.652 11.591 3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 44 72.132 10.741 4.594 1.00 0.00 H new ATOM 687 N GLY A 45 72.187 6.097 6.014 1.00 0.00 N ATOM 688 CA GLY A 45 72.102 5.013 7.042 1.00 0.00 C ATOM 689 C GLY A 45 70.759 4.272 6.951 1.00 0.00 C ATOM 690 O GLY A 45 70.327 3.655 7.907 1.00 0.00 O ATOM 0 H GLY A 45 72.937 5.983 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.921 4.308 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.219 5.441 8.038 1.00 0.00 H new ATOM 694 N VAL A 46 70.099 4.328 5.816 1.00 0.00 N ATOM 695 CA VAL A 46 68.843 3.536 5.629 1.00 0.00 C ATOM 696 C VAL A 46 68.748 3.052 4.166 1.00 0.00 C ATOM 697 O VAL A 46 69.265 3.699 3.280 1.00 0.00 O ATOM 698 CB VAL A 46 67.713 4.517 5.992 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.339 3.930 5.638 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.762 4.778 7.495 1.00 0.00 C ATOM 0 H VAL A 46 70.378 4.889 5.011 1.00 0.00 H new ATOM 0 HA VAL A 46 68.797 2.639 6.246 1.00 0.00 H new ATOM 0 HB VAL A 46 67.853 5.439 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.559 4.643 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.295 3.727 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.187 3.002 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.967 5.472 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.626 3.839 8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.728 5.210 7.758 1.00 0.00 H new ATOM 710 N PRO A 47 68.093 1.925 3.949 1.00 0.00 N ATOM 711 CA PRO A 47 68.035 1.347 2.580 1.00 0.00 C ATOM 712 C PRO A 47 67.293 2.299 1.637 1.00 0.00 C ATOM 713 O PRO A 47 66.313 2.915 2.017 1.00 0.00 O ATOM 714 CB PRO A 47 67.260 0.037 2.754 1.00 0.00 C ATOM 715 CG PRO A 47 67.250 -0.235 4.226 1.00 0.00 C ATOM 716 CD PRO A 47 67.354 1.095 4.917 1.00 0.00 C ATOM 0 HA PRO A 47 69.022 1.186 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.246 0.128 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 47 67.739 -0.776 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.335 -0.751 4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.082 -0.881 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.371 1.512 5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.885 1.015 5.866 1.00 0.00 H new ATOM 724 N LEU A 48 67.751 2.423 0.411 1.00 0.00 N ATOM 725 CA LEU A 48 67.089 3.366 -0.548 1.00 0.00 C ATOM 726 C LEU A 48 65.753 2.794 -1.032 1.00 0.00 C ATOM 727 O LEU A 48 64.736 3.462 -0.987 1.00 0.00 O ATOM 728 CB LEU A 48 68.067 3.516 -1.714 1.00 0.00 C ATOM 729 CG LEU A 48 69.205 4.450 -1.303 1.00 0.00 C ATOM 730 CD1 LEU A 48 70.364 4.309 -2.292 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.703 5.895 -1.315 1.00 0.00 C ATOM 0 H LEU A 48 68.551 1.914 0.035 1.00 0.00 H new ATOM 0 HA LEU A 48 66.867 4.326 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.465 2.542 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.551 3.915 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 48 69.547 4.188 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 48 71.175 4.975 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.721 3.279 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 48 70.022 4.572 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.512 6.564 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.363 6.154 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.875 5.998 -0.613 1.00 0.00 H new ATOM 743 N ARG A 49 65.747 1.565 -1.495 1.00 0.00 N ATOM 744 CA ARG A 49 64.468 0.928 -1.947 1.00 0.00 C ATOM 745 C ARG A 49 64.691 -0.556 -2.250 1.00 0.00 C ATOM 746 O ARG A 49 64.159 -1.419 -1.575 1.00 0.00 O ATOM 747 CB ARG A 49 64.062 1.679 -3.221 1.00 0.00 C ATOM 748 CG ARG A 49 62.673 1.215 -3.664 1.00 0.00 C ATOM 749 CD ARG A 49 62.304 1.897 -4.986 1.00 0.00 C ATOM 750 NE ARG A 49 60.894 1.472 -5.265 1.00 0.00 N ATOM 751 CZ ARG A 49 60.108 2.162 -6.075 1.00 0.00 C ATOM 752 NH1 ARG A 49 60.518 3.255 -6.682 1.00 0.00 N ATOM 753 NH2 ARG A 49 58.889 1.744 -6.280 1.00 0.00 N ATOM 0 H ARG A 49 66.575 0.975 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 49 63.694 0.985 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 49 64.057 2.753 -3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 49 64.789 1.494 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 49 62.661 0.132 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 49 61.936 1.458 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 49 62.380 2.981 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 49 62.974 1.590 -5.789 1.00 0.00 H new ATOM 0 HE ARG A 49 60.531 0.629 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 49 61.468 3.594 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 49 59.885 3.763 -7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 49 58.556 0.897 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.269 2.264 -6.901 1.00 0.00 H new ATOM 767 N LYS A 50 65.473 -0.856 -3.259 1.00 0.00 N ATOM 768 CA LYS A 50 65.709 -2.283 -3.639 1.00 0.00 C ATOM 769 C LYS A 50 67.173 -2.660 -3.399 1.00 0.00 C ATOM 770 O LYS A 50 68.078 -1.938 -3.780 1.00 0.00 O ATOM 771 CB LYS A 50 65.377 -2.358 -5.129 1.00 0.00 C ATOM 772 CG LYS A 50 63.897 -2.032 -5.341 1.00 0.00 C ATOM 773 CD LYS A 50 63.537 -2.228 -6.815 1.00 0.00 C ATOM 774 CE LYS A 50 62.094 -1.775 -7.053 1.00 0.00 C ATOM 775 NZ LYS A 50 61.284 -3.023 -6.982 1.00 0.00 N ATOM 0 H LYS A 50 65.959 -0.171 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 50 65.102 -2.971 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.998 -1.657 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.599 -3.354 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.279 -2.676 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.693 -1.005 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.218 -1.656 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.651 -3.276 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.777 -1.055 -6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.987 -1.289 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 60.281 -2.795 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 61.604 -3.687 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.400 -3.460 -6.045 1.00 0.00 H new ATOM 789 N GLN A 51 67.407 -3.784 -2.769 1.00 0.00 N ATOM 790 CA GLN A 51 68.813 -4.240 -2.529 1.00 0.00 C ATOM 791 C GLN A 51 69.528 -4.475 -3.863 1.00 0.00 C ATOM 792 O GLN A 51 70.713 -4.234 -3.992 1.00 0.00 O ATOM 793 CB GLN A 51 68.689 -5.553 -1.753 1.00 0.00 C ATOM 794 CG GLN A 51 68.059 -5.281 -0.384 1.00 0.00 C ATOM 795 CD GLN A 51 67.881 -6.600 0.375 1.00 0.00 C ATOM 796 OE1 GLN A 51 67.846 -7.660 -0.219 1.00 0.00 O ATOM 797 NE2 GLN A 51 67.767 -6.578 1.675 1.00 0.00 N ATOM 0 H GLN A 51 66.684 -4.408 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 51 69.393 -3.499 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.078 -6.262 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.672 -6.008 -1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 51 68.691 -4.603 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.094 -4.789 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.796 -5.689 2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.649 -7.450 2.191 1.00 0.00 H new ATOM 806 N ASN A 52 68.808 -4.943 -4.854 1.00 0.00 N ATOM 807 CA ASN A 52 69.446 -5.272 -6.166 1.00 0.00 C ATOM 808 C ASN A 52 69.580 -4.027 -7.062 1.00 0.00 C ATOM 809 O ASN A 52 70.045 -4.126 -8.183 1.00 0.00 O ATOM 810 CB ASN A 52 68.508 -6.292 -6.814 1.00 0.00 C ATOM 811 CG ASN A 52 68.430 -7.549 -5.943 1.00 0.00 C ATOM 812 OD1 ASN A 52 69.315 -7.814 -5.152 1.00 0.00 O ATOM 813 ND2 ASN A 52 67.399 -8.341 -6.053 1.00 0.00 N ATOM 0 H ASN A 52 67.803 -5.111 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 52 70.457 -5.656 -6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 52 67.515 -5.860 -6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.868 -6.550 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 52 67.337 -9.180 -5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 52 66.655 -8.121 -6.716 1.00 0.00 H new ATOM 820 N ALA A 53 69.182 -2.862 -6.588 1.00 0.00 N ATOM 821 CA ALA A 53 69.282 -1.632 -7.437 1.00 0.00 C ATOM 822 C ALA A 53 70.739 -1.169 -7.524 1.00 0.00 C ATOM 823 O ALA A 53 71.447 -1.136 -6.533 1.00 0.00 O ATOM 824 CB ALA A 53 68.425 -0.579 -6.730 1.00 0.00 C ATOM 0 H ALA A 53 68.795 -2.715 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 53 68.941 -1.809 -8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.451 0.352 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.397 -0.933 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.816 -0.404 -5.728 1.00 0.00 H new ATOM 830 N GLU A 54 71.185 -0.812 -8.703 1.00 0.00 N ATOM 831 CA GLU A 54 72.594 -0.336 -8.869 1.00 0.00 C ATOM 832 C GLU A 54 72.669 1.195 -8.741 1.00 0.00 C ATOM 833 O GLU A 54 71.812 1.907 -9.232 1.00 0.00 O ATOM 834 CB GLU A 54 73.022 -0.807 -10.275 1.00 0.00 C ATOM 835 CG GLU A 54 72.233 -0.074 -11.379 1.00 0.00 C ATOM 836 CD GLU A 54 72.660 -0.590 -12.759 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.780 -1.062 -12.882 1.00 0.00 O ATOM 838 OE2 GLU A 54 71.856 -0.503 -13.673 1.00 0.00 O ATOM 0 H GLU A 54 70.633 -0.830 -9.560 1.00 0.00 H new ATOM 0 HA GLU A 54 73.255 -0.735 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.089 -0.631 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.863 -1.882 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.164 -0.230 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.410 0.999 -11.312 1.00 0.00 H new ATOM 845 N VAL A 55 73.686 1.695 -8.086 1.00 0.00 N ATOM 846 CA VAL A 55 73.901 3.177 -8.031 1.00 0.00 C ATOM 847 C VAL A 55 75.081 3.549 -8.926 1.00 0.00 C ATOM 848 O VAL A 55 76.169 3.031 -8.761 1.00 0.00 O ATOM 849 CB VAL A 55 74.234 3.492 -6.565 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.443 5.000 -6.389 1.00 0.00 C ATOM 851 CG2 VAL A 55 73.083 3.034 -5.665 1.00 0.00 C ATOM 0 H VAL A 55 74.380 1.141 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 55 73.029 3.734 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 55 75.147 2.965 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.679 5.215 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.266 5.330 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.533 5.529 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.322 3.259 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.169 3.557 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.937 1.960 -5.779 1.00 0.00 H new ATOM 861 N VAL A 56 74.876 4.436 -9.869 1.00 0.00 N ATOM 862 CA VAL A 56 76.012 4.896 -10.725 1.00 0.00 C ATOM 863 C VAL A 56 76.138 6.414 -10.634 1.00 0.00 C ATOM 864 O VAL A 56 75.276 7.146 -11.087 1.00 0.00 O ATOM 865 CB VAL A 56 75.684 4.464 -12.156 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.883 4.788 -13.045 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.417 2.954 -12.207 1.00 0.00 C ATOM 0 H VAL A 56 73.973 4.860 -10.082 1.00 0.00 H new ATOM 0 HA VAL A 56 76.960 4.466 -10.403 1.00 0.00 H new ATOM 0 HB VAL A 56 74.795 4.992 -12.501 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.668 4.487 -14.070 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.079 5.860 -13.015 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.759 4.249 -12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.185 2.660 -13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.302 2.416 -11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.574 2.711 -11.560 1.00 0.00 H new ATOM 877 N LEU A 57 77.206 6.883 -10.055 1.00 0.00 N ATOM 878 CA LEU A 57 77.351 8.347 -9.800 1.00 0.00 C ATOM 879 C LEU A 57 78.693 8.851 -10.338 1.00 0.00 C ATOM 880 O LEU A 57 79.719 8.222 -10.155 1.00 0.00 O ATOM 881 CB LEU A 57 77.247 8.464 -8.281 1.00 0.00 C ATOM 882 CG LEU A 57 75.763 8.488 -7.897 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.570 7.870 -6.518 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.273 9.938 -7.860 1.00 0.00 C ATOM 0 H LEU A 57 77.992 6.313 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 57 76.598 8.956 -10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.749 7.624 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.743 9.371 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 57 75.197 7.917 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.513 7.892 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.920 6.838 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.139 8.438 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.218 9.959 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.849 10.498 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.403 10.391 -8.843 1.00 0.00 H new ATOM 896 N LYS A 58 78.685 9.981 -11.002 1.00 0.00 N ATOM 897 CA LYS A 58 79.943 10.504 -11.627 1.00 0.00 C ATOM 898 C LYS A 58 80.877 11.078 -10.560 1.00 0.00 C ATOM 899 O LYS A 58 80.440 11.699 -9.609 1.00 0.00 O ATOM 900 CB LYS A 58 79.486 11.610 -12.581 1.00 0.00 C ATOM 901 CG LYS A 58 78.620 11.004 -13.688 1.00 0.00 C ATOM 902 CD LYS A 58 78.259 12.089 -14.706 1.00 0.00 C ATOM 903 CE LYS A 58 77.293 11.515 -15.744 1.00 0.00 C ATOM 904 NZ LYS A 58 76.416 12.657 -16.125 1.00 0.00 N ATOM 0 H LYS A 58 77.861 10.566 -11.139 1.00 0.00 H new ATOM 0 HA LYS A 58 80.496 9.719 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.921 12.365 -12.035 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.351 12.111 -13.015 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.156 10.192 -14.180 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.713 10.575 -13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.802 12.940 -14.200 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.160 12.456 -15.197 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.829 11.123 -16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.711 10.692 -15.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 75.725 12.342 -16.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 75.914 13.005 -15.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 76.996 13.423 -16.523 1.00 0.00 H new ATOM 918 N CYS A 59 82.163 10.871 -10.714 1.00 0.00 N ATOM 919 CA CYS A 59 83.157 11.461 -9.753 1.00 0.00 C ATOM 920 C CYS A 59 82.977 12.984 -9.646 1.00 0.00 C ATOM 921 O CYS A 59 83.211 13.572 -8.606 1.00 0.00 O ATOM 922 CB CYS A 59 84.542 11.117 -10.328 1.00 0.00 C ATOM 923 SG CYS A 59 84.727 11.797 -12.002 1.00 0.00 S ATOM 0 H CYS A 59 82.572 10.317 -11.466 1.00 0.00 H new ATOM 0 HA CYS A 59 83.027 11.062 -8.747 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.321 11.518 -9.679 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.673 10.035 -10.353 1.00 0.00 H new ATOM 0 HG CYS A 59 85.904 11.496 -12.465 1.00 0.00 H new ATOM 929 N THR A 60 82.564 13.615 -10.717 1.00 0.00 N ATOM 930 CA THR A 60 82.372 15.102 -10.697 1.00 0.00 C ATOM 931 C THR A 60 81.249 15.476 -9.725 1.00 0.00 C ATOM 932 O THR A 60 81.230 16.565 -9.181 1.00 0.00 O ATOM 933 CB THR A 60 81.990 15.488 -12.130 1.00 0.00 C ATOM 934 OG1 THR A 60 80.786 14.828 -12.492 1.00 0.00 O ATOM 935 CG2 THR A 60 83.109 15.082 -13.091 1.00 0.00 C ATOM 0 H THR A 60 82.351 13.165 -11.607 1.00 0.00 H new ATOM 0 HA THR A 60 83.271 15.623 -10.367 1.00 0.00 H new ATOM 0 HB THR A 60 81.844 16.567 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.540 15.076 -13.408 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.833 15.358 -14.109 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.031 15.594 -12.813 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.262 14.004 -13.037 1.00 0.00 H new ATOM 943 N ASP A 61 80.316 14.581 -9.507 1.00 0.00 N ATOM 944 CA ASP A 61 79.213 14.855 -8.535 1.00 0.00 C ATOM 945 C ASP A 61 79.625 14.408 -7.127 1.00 0.00 C ATOM 946 O ASP A 61 79.114 14.906 -6.140 1.00 0.00 O ATOM 947 CB ASP A 61 78.021 14.038 -9.038 1.00 0.00 C ATOM 948 CG ASP A 61 77.594 14.534 -10.424 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.780 15.709 -10.700 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.090 13.728 -11.189 1.00 0.00 O ATOM 0 H ASP A 61 80.271 13.669 -9.962 1.00 0.00 H new ATOM 0 HA ASP A 61 78.974 15.917 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.288 12.982 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.189 14.125 -8.339 1.00 0.00 H new ATOM 955 N ILE A 62 80.541 13.474 -7.031 1.00 0.00 N ATOM 956 CA ILE A 62 81.039 13.035 -5.690 1.00 0.00 C ATOM 957 C ILE A 62 82.094 14.022 -5.180 1.00 0.00 C ATOM 958 O ILE A 62 82.882 14.548 -5.944 1.00 0.00 O ATOM 959 CB ILE A 62 81.660 11.649 -5.923 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.598 10.695 -6.479 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.191 11.093 -4.599 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.255 9.367 -6.864 1.00 0.00 C ATOM 0 H ILE A 62 80.966 12.996 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 62 80.246 12.998 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 62 82.479 11.740 -6.636 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.820 10.526 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.115 11.139 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.631 10.110 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.950 11.766 -4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.371 11.006 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.499 8.688 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.016 9.544 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.718 8.921 -5.983 1.00 0.00 H new ATOM 974 N ARG A 63 82.111 14.273 -3.894 1.00 0.00 N ATOM 975 CA ARG A 63 83.092 15.243 -3.322 1.00 0.00 C ATOM 976 C ARG A 63 84.263 14.495 -2.677 1.00 0.00 C ATOM 977 O ARG A 63 85.386 14.967 -2.690 1.00 0.00 O ATOM 978 CB ARG A 63 82.310 16.030 -2.271 1.00 0.00 C ATOM 979 CG ARG A 63 83.202 17.126 -1.683 1.00 0.00 C ATOM 980 CD ARG A 63 83.409 18.229 -2.724 1.00 0.00 C ATOM 981 NE ARG A 63 84.346 19.200 -2.076 1.00 0.00 N ATOM 982 CZ ARG A 63 83.931 20.069 -1.169 1.00 0.00 C ATOM 983 NH1 ARG A 63 82.673 20.129 -0.786 1.00 0.00 N ATOM 984 NH2 ARG A 63 84.794 20.890 -0.638 1.00 0.00 N ATOM 0 H ARG A 63 81.484 13.845 -3.213 1.00 0.00 H new ATOM 0 HA ARG A 63 83.516 15.897 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.421 16.472 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 63 81.969 15.361 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.743 17.540 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.163 16.707 -1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.831 17.828 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.465 18.706 -2.987 1.00 0.00 H new ATOM 0 HE ARG A 63 85.331 19.191 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 63 81.986 19.493 -1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 63 82.386 20.811 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.773 20.856 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.490 21.566 0.063 1.00 0.00 H new ATOM 998 N SER A 64 84.009 13.336 -2.115 1.00 0.00 N ATOM 999 CA SER A 64 85.113 12.555 -1.469 1.00 0.00 C ATOM 1000 C SER A 64 84.716 11.085 -1.320 1.00 0.00 C ATOM 1001 O SER A 64 83.548 10.757 -1.231 1.00 0.00 O ATOM 1002 CB SER A 64 85.312 13.202 -0.100 1.00 0.00 C ATOM 1003 OG SER A 64 86.427 12.601 0.546 1.00 0.00 O ATOM 0 H SER A 64 83.088 12.899 -2.076 1.00 0.00 H new ATOM 0 HA SER A 64 86.027 12.572 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.476 14.274 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.415 13.079 0.507 1.00 0.00 H new ATOM 0 HG SER A 64 86.559 13.015 1.424 1.00 0.00 H new ATOM 1009 N ILE A 65 85.684 10.199 -1.290 1.00 0.00 N ATOM 1010 CA ILE A 65 85.373 8.738 -1.190 1.00 0.00 C ATOM 1011 C ILE A 65 86.344 8.064 -0.215 1.00 0.00 C ATOM 1012 O ILE A 65 87.496 8.442 -0.110 1.00 0.00 O ATOM 1013 CB ILE A 65 85.549 8.166 -2.604 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.633 8.909 -3.589 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.184 6.676 -2.593 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.897 8.413 -5.013 1.00 0.00 C ATOM 0 H ILE A 65 86.678 10.426 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 65 84.363 8.565 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 65 86.585 8.292 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.589 8.745 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.812 9.982 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.307 6.264 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.838 6.146 -1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.148 6.558 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.246 8.942 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.938 8.600 -5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.695 7.343 -5.069 1.00 0.00 H new ATOM 1028 N ASP A 66 85.877 7.068 0.497 1.00 0.00 N ATOM 1029 CA ASP A 66 86.759 6.342 1.463 1.00 0.00 C ATOM 1030 C ASP A 66 86.542 4.829 1.349 1.00 0.00 C ATOM 1031 O ASP A 66 85.424 4.358 1.395 1.00 0.00 O ATOM 1032 CB ASP A 66 86.332 6.850 2.846 1.00 0.00 C ATOM 1033 CG ASP A 66 84.849 6.548 3.094 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.028 7.080 2.365 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.563 5.791 4.007 1.00 0.00 O ATOM 0 H ASP A 66 84.918 6.725 0.450 1.00 0.00 H new ATOM 0 HA ASP A 66 87.817 6.521 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.940 6.377 3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.507 7.924 2.916 1.00 0.00 H new ATOM 1040 N LEU A 67 87.602 4.071 1.202 1.00 0.00 N ATOM 1041 CA LEU A 67 87.467 2.579 1.210 1.00 0.00 C ATOM 1042 C LEU A 67 87.287 2.082 2.648 1.00 0.00 C ATOM 1043 O LEU A 67 88.184 2.190 3.464 1.00 0.00 O ATOM 1044 CB LEU A 67 88.786 2.056 0.629 1.00 0.00 C ATOM 1045 CG LEU A 67 88.730 2.082 -0.909 1.00 0.00 C ATOM 1046 CD1 LEU A 67 90.046 2.633 -1.466 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.521 0.660 -1.443 1.00 0.00 C ATOM 0 H LEU A 67 88.553 4.419 1.077 1.00 0.00 H new ATOM 0 HA LEU A 67 86.605 2.237 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.616 2.668 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.969 1.040 0.977 1.00 0.00 H new ATOM 0 HG LEU A 67 87.903 2.719 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 67 90.002 2.649 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.203 3.645 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.871 1.997 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.482 0.682 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.348 0.026 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.585 0.259 -1.054 1.00 0.00 H new ATOM 1059 N ILE A 68 86.135 1.538 2.960 1.00 0.00 N ATOM 1060 CA ILE A 68 85.894 1.012 4.341 1.00 0.00 C ATOM 1061 C ILE A 68 86.660 -0.298 4.539 1.00 0.00 C ATOM 1062 O ILE A 68 87.349 -0.485 5.526 1.00 0.00 O ATOM 1063 CB ILE A 68 84.381 0.767 4.431 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.624 2.074 4.161 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.023 0.262 5.831 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.118 1.796 4.096 1.00 0.00 C ATOM 0 H ILE A 68 85.350 1.435 2.317 1.00 0.00 H new ATOM 0 HA ILE A 68 86.233 1.707 5.109 1.00 0.00 H new ATOM 0 HB ILE A 68 84.099 0.022 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.836 2.797 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 68 83.963 2.515 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.949 0.089 5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.552 -0.670 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.313 1.007 6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.584 2.727 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.913 1.088 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.784 1.375 5.045 1.00 0.00 H new ATOM 1078 N GLU A 69 86.540 -1.200 3.600 1.00 0.00 N ATOM 1079 CA GLU A 69 87.199 -2.533 3.733 1.00 0.00 C ATOM 1080 C GLU A 69 87.844 -2.940 2.398 1.00 0.00 C ATOM 1081 O GLU A 69 87.154 -3.406 1.511 1.00 0.00 O ATOM 1082 CB GLU A 69 86.070 -3.497 4.101 1.00 0.00 C ATOM 1083 CG GLU A 69 85.513 -3.131 5.478 1.00 0.00 C ATOM 1084 CD GLU A 69 84.790 -4.341 6.074 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.924 -4.879 5.403 1.00 0.00 O ATOM 1086 OE2 GLU A 69 85.114 -4.709 7.191 1.00 0.00 O ATOM 0 H GLU A 69 86.009 -1.069 2.739 1.00 0.00 H new ATOM 0 HA GLU A 69 87.992 -2.531 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.279 -3.449 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.441 -4.522 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.322 -2.816 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 69 84.826 -2.289 5.392 1.00 0.00 H new