USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 438 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 Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.02! C(o=-3!,f=-8.7!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.895 F(o=-2.3!,f=-0.89) USER MOD Single : A 16 ASN : amide:sc=-0.00692 K(o=-0.0069,f=-0.6) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00702 USER MOD Single : A 26 THR OG1 : rot -22:sc= 1.09 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -44:sc= 0.00545 USER MOD Single : A 69 ASN : amide:sc= 0.0588 K(o=0.059,f=-4.2!) USER MOD Single : A 70 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.21) USER MOD Single : A 72 SER OG : rot 170:sc= -2.44! USER MOD ----------------------------------------------------------------- ATOM 111 N SER A 10 -5.971 7.143 -2.452 1.00 0.38 N ATOM 112 CA SER A 10 -6.829 6.072 -2.925 1.00 0.39 C ATOM 113 C SER A 10 -6.799 4.926 -1.919 1.00 0.28 C ATOM 114 O SER A 10 -5.823 4.772 -1.191 1.00 0.29 O ATOM 115 CB SER A 10 -6.359 5.597 -4.307 1.00 0.52 C ATOM 116 OG SER A 10 -7.293 4.709 -4.906 1.00 0.96 O ATOM 0 HA SER A 10 -7.853 6.433 -3.020 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.210 6.460 -4.956 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.394 5.099 -4.211 1.00 0.52 H new ATOM 0 HG SER A 10 -6.961 4.429 -5.785 1.00 0.96 H new ATOM 122 N ILE A 11 -7.874 4.158 -1.844 1.00 0.32 N ATOM 123 CA ILE A 11 -7.944 3.054 -0.902 1.00 0.27 C ATOM 124 C ILE A 11 -7.705 1.719 -1.588 1.00 0.20 C ATOM 125 O ILE A 11 -8.229 1.445 -2.672 1.00 0.26 O ATOM 126 CB ILE A 11 -9.295 3.023 -0.164 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.468 4.311 0.625 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.385 1.820 0.766 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.725 4.340 1.458 1.00 0.96 C ATOM 0 H ILE A 11 -8.706 4.278 -2.421 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.152 3.217 -0.171 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.093 2.935 -0.901 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.606 4.447 1.278 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.480 5.153 -0.067 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.350 1.824 1.274 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.284 0.903 0.185 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.586 1.871 1.505 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.784 5.287 1.994 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.594 4.235 0.809 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.706 3.518 2.174 1.00 0.96 H new ATOM 141 N GLN A 12 -6.915 0.893 -0.936 1.00 0.13 N ATOM 142 CA GLN A 12 -6.574 -0.425 -1.450 1.00 0.10 C ATOM 143 C GLN A 12 -6.462 -1.430 -0.312 1.00 0.11 C ATOM 144 O GLN A 12 -6.479 -1.062 0.863 1.00 0.17 O ATOM 145 CB GLN A 12 -5.267 -0.411 -2.262 1.00 0.12 C ATOM 146 CG GLN A 12 -4.173 0.482 -1.699 1.00 0.22 C ATOM 147 CD GLN A 12 -4.293 1.932 -2.116 1.00 0.39 C ATOM 148 OE1 GLN A 12 -3.990 2.824 -1.340 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.680 2.183 -3.358 1.00 0.35 N ATOM 0 H GLN A 12 -6.489 1.112 -0.035 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.380 -0.723 -2.121 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.886 -1.430 -2.327 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.491 -0.089 -3.279 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.194 0.424 -0.611 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.204 0.100 -2.020 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -4.926 1.414 -3.981 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -4.732 3.146 -3.691 1.00 0.35 H new ATOM 158 N CYS A 13 -6.375 -2.696 -0.673 1.00 0.12 N ATOM 159 CA CYS A 13 -6.242 -3.766 0.296 1.00 0.16 C ATOM 160 C CYS A 13 -4.923 -4.495 0.079 1.00 0.13 C ATOM 161 O CYS A 13 -4.771 -5.278 -0.862 1.00 0.15 O ATOM 162 CB CYS A 13 -7.435 -4.726 0.198 1.00 0.25 C ATOM 163 SG CYS A 13 -7.246 -6.265 1.158 1.00 0.34 S ATOM 0 H CYS A 13 -6.394 -3.011 -1.643 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.239 -3.345 1.301 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.331 -4.208 0.539 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.594 -4.983 -0.849 1.00 0.25 H new ATOM 168 N CYS A 14 -3.967 -4.207 0.945 1.00 0.12 N ATOM 169 CA CYS A 14 -2.620 -4.734 0.820 1.00 0.12 C ATOM 170 C CYS A 14 -2.506 -6.099 1.458 1.00 0.15 C ATOM 171 O CYS A 14 -2.995 -6.326 2.563 1.00 0.19 O ATOM 172 CB CYS A 14 -1.611 -3.799 1.480 1.00 0.14 C ATOM 173 SG CYS A 14 -1.361 -2.209 0.625 1.00 0.13 S ATOM 0 H CYS A 14 -4.103 -3.601 1.754 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.404 -4.816 -0.245 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.938 -3.598 2.500 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.652 -4.313 1.547 1.00 0.14 H new ATOM 178 N GLN A 15 -1.862 -7.003 0.740 1.00 0.15 N ATOM 179 CA GLN A 15 -1.566 -8.323 1.250 1.00 0.16 C ATOM 180 C GLN A 15 -0.454 -8.218 2.292 1.00 0.18 C ATOM 181 O GLN A 15 -0.396 -8.996 3.245 1.00 0.23 O ATOM 182 CB GLN A 15 -1.200 -9.255 0.073 1.00 0.17 C ATOM 183 CG GLN A 15 0.232 -9.788 0.048 1.00 0.23 C ATOM 184 CD GLN A 15 0.484 -10.888 1.068 1.00 0.31 C ATOM 185 OE1 GLN A 15 -0.544 -11.670 1.366 1.00 0.38 O flip ATOM 186 NE2 GLN A 15 1.593 -11.039 1.576 1.00 0.33 N flip ATOM 0 H GLN A 15 -1.532 -6.839 -0.211 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.435 -8.756 1.744 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.881 -10.106 0.087 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.381 -8.717 -0.858 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.453 -10.169 -0.949 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.922 -8.965 0.234 1.00 0.23 H new ATOM 0 HE21 GLN A 15 2.360 -10.417 1.321 1.00 0.33 H new ATOM 0 HE22 GLN A 15 1.747 -11.787 2.252 1.00 0.33 H new ATOM 195 N ASN A 16 0.409 -7.229 2.111 1.00 0.17 N ATOM 196 CA ASN A 16 1.510 -6.993 3.027 1.00 0.21 C ATOM 197 C ASN A 16 1.695 -5.502 3.259 1.00 0.21 C ATOM 198 O ASN A 16 2.020 -4.760 2.335 1.00 0.40 O ATOM 199 CB ASN A 16 2.793 -7.564 2.450 1.00 0.29 C ATOM 200 CG ASN A 16 3.698 -8.158 3.502 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.743 -7.698 4.643 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.409 -9.204 3.127 1.00 0.75 N ATOM 0 H ASN A 16 0.365 -6.573 1.331 1.00 0.17 H new ATOM 0 HA ASN A 16 1.280 -7.481 3.974 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.545 -8.331 1.716 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.329 -6.777 1.920 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.028 -9.666 3.794 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.340 -9.551 2.170 1.00 0.75 H new ATOM 209 N VAL A 17 1.485 -5.067 4.483 1.00 0.16 N ATOM 210 CA VAL A 17 1.674 -3.664 4.835 1.00 0.13 C ATOM 211 C VAL A 17 2.954 -3.496 5.638 1.00 0.14 C ATOM 212 O VAL A 17 3.015 -3.856 6.818 1.00 0.18 O ATOM 213 CB VAL A 17 0.479 -3.103 5.636 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.714 -1.646 6.015 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.803 -3.242 4.834 1.00 0.14 C ATOM 0 H VAL A 17 1.183 -5.660 5.256 1.00 0.16 H new ATOM 0 HA VAL A 17 1.745 -3.101 3.905 1.00 0.13 H new ATOM 0 HB VAL A 17 0.382 -3.681 6.555 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.142 -1.274 6.578 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.613 -1.570 6.627 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.840 -1.051 5.111 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.638 -2.843 5.410 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.709 -2.689 3.900 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.983 -4.295 4.616 1.00 0.14 H new ATOM 225 N VAL A 18 3.975 -2.956 4.993 1.00 0.12 N ATOM 226 CA VAL A 18 5.284 -2.815 5.611 1.00 0.13 C ATOM 227 C VAL A 18 5.842 -1.410 5.404 1.00 0.12 C ATOM 228 O VAL A 18 5.670 -0.811 4.346 1.00 0.12 O ATOM 229 CB VAL A 18 6.286 -3.844 5.042 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.923 -5.253 5.483 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.338 -3.761 3.523 1.00 0.13 C ATOM 0 H VAL A 18 3.922 -2.606 4.036 1.00 0.12 H new ATOM 0 HA VAL A 18 5.153 -2.996 6.678 1.00 0.13 H new ATOM 0 HB VAL A 18 7.274 -3.605 5.435 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.642 -5.960 5.070 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.942 -5.310 6.571 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.924 -5.501 5.124 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.050 -4.494 3.143 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.349 -3.968 3.113 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.652 -2.761 3.224 1.00 0.13 H new ATOM 241 N PRO A 19 6.483 -0.850 6.436 1.00 0.14 N ATOM 242 CA PRO A 19 7.210 0.415 6.316 1.00 0.15 C ATOM 243 C PRO A 19 8.308 0.337 5.260 1.00 0.12 C ATOM 244 O PRO A 19 8.972 -0.688 5.115 1.00 0.10 O ATOM 245 CB PRO A 19 7.817 0.621 7.706 1.00 0.17 C ATOM 246 CG PRO A 19 6.988 -0.213 8.619 1.00 0.19 C ATOM 247 CD PRO A 19 6.524 -1.386 7.805 1.00 0.17 C ATOM 0 HA PRO A 19 6.561 1.233 6.004 1.00 0.15 H new ATOM 0 HB2 PRO A 19 8.862 0.312 7.730 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.789 1.671 7.997 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.568 -0.542 9.481 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.140 0.354 9.003 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.210 -2.229 7.887 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.545 -1.739 8.129 1.00 0.17 H new ATOM 255 N GLY A 20 8.490 1.422 4.517 1.00 0.14 N ATOM 256 CA GLY A 20 9.517 1.459 3.491 1.00 0.13 C ATOM 257 C GLY A 20 10.911 1.422 4.083 1.00 0.14 C ATOM 258 O GLY A 20 11.881 1.097 3.396 1.00 0.18 O ATOM 0 H GLY A 20 7.944 2.279 4.606 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.387 0.613 2.817 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.401 2.363 2.894 1.00 0.13 H new ATOM 262 N ASP A 21 11.007 1.764 5.360 1.00 0.17 N ATOM 263 CA ASP A 21 12.264 1.700 6.090 1.00 0.21 C ATOM 264 C ASP A 21 12.291 0.459 6.974 1.00 0.19 C ATOM 265 O ASP A 21 13.178 0.291 7.811 1.00 0.23 O ATOM 266 CB ASP A 21 12.457 2.963 6.938 1.00 0.31 C ATOM 267 CG ASP A 21 11.446 3.083 8.067 1.00 1.23 C ATOM 268 OD1 ASP A 21 11.859 3.236 9.238 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.229 3.001 7.786 1.00 2.27 O ATOM 0 H ASP A 21 10.218 2.093 5.917 1.00 0.17 H new ATOM 0 HA ASP A 21 13.082 1.639 5.373 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.463 2.962 7.358 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.381 3.840 6.295 1.00 0.31 H new ATOM 274 N SER A 22 11.309 -0.409 6.774 1.00 0.16 N ATOM 275 CA SER A 22 11.254 -1.681 7.473 1.00 0.17 C ATOM 276 C SER A 22 12.169 -2.677 6.794 1.00 0.16 C ATOM 277 O SER A 22 12.430 -2.556 5.600 1.00 0.14 O ATOM 278 CB SER A 22 9.824 -2.226 7.482 1.00 0.18 C ATOM 279 OG SER A 22 9.761 -3.538 8.005 1.00 0.24 O ATOM 0 H SER A 22 10.535 -0.252 6.128 1.00 0.16 H new ATOM 0 HA SER A 22 11.579 -1.527 8.502 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.189 -1.568 8.075 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.428 -2.221 6.467 1.00 0.18 H new ATOM 0 HG SER A 22 8.832 -3.850 7.996 1.00 0.24 H new ATOM 285 N ASP A 23 12.639 -3.662 7.533 1.00 0.20 N ATOM 286 CA ASP A 23 13.520 -4.675 6.966 1.00 0.22 C ATOM 287 C ASP A 23 12.875 -5.315 5.750 1.00 0.20 C ATOM 288 O ASP A 23 13.533 -5.553 4.734 1.00 0.22 O ATOM 289 CB ASP A 23 13.856 -5.741 8.003 1.00 0.29 C ATOM 290 CG ASP A 23 14.921 -5.283 8.973 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.578 -4.608 9.966 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.109 -5.591 8.746 1.00 0.61 O ATOM 0 H ASP A 23 12.430 -3.786 8.523 1.00 0.20 H new ATOM 0 HA ASP A 23 14.446 -4.188 6.659 1.00 0.22 H new ATOM 0 HB2 ASP A 23 12.954 -6.004 8.555 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.194 -6.644 7.496 1.00 0.29 H new ATOM 297 N LEU A 24 11.578 -5.556 5.849 1.00 0.20 N ATOM 298 CA LEU A 24 10.827 -6.103 4.732 1.00 0.21 C ATOM 299 C LEU A 24 10.678 -5.065 3.630 1.00 0.17 C ATOM 300 O LEU A 24 11.190 -5.248 2.530 1.00 0.18 O ATOM 301 CB LEU A 24 9.449 -6.589 5.184 1.00 0.26 C ATOM 302 CG LEU A 24 9.310 -8.104 5.339 1.00 0.35 C ATOM 303 CD1 LEU A 24 7.932 -8.458 5.876 1.00 1.03 C ATOM 304 CD2 LEU A 24 9.552 -8.800 4.006 1.00 1.11 C ATOM 0 H LEU A 24 11.025 -5.382 6.688 1.00 0.20 H new ATOM 0 HA LEU A 24 11.382 -6.956 4.341 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.211 -6.119 6.138 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.706 -6.244 4.465 1.00 0.26 H new ATOM 0 HG LEU A 24 10.060 -8.448 6.051 1.00 0.35 H new ATOM 0 HD11 LEU A 24 7.849 -9.540 5.981 1.00 1.03 H new ATOM 0 HD12 LEU A 24 7.789 -7.987 6.849 1.00 1.03 H new ATOM 0 HD13 LEU A 24 7.169 -8.101 5.184 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.449 -9.878 4.134 1.00 1.11 H new ATOM 0 HD22 LEU A 24 8.823 -8.450 3.275 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.558 -8.571 3.653 1.00 1.11 H new ATOM 316 N GLY A 25 10.008 -3.962 3.953 1.00 0.14 N ATOM 317 CA GLY A 25 9.702 -2.939 2.964 1.00 0.12 C ATOM 318 C GLY A 25 10.924 -2.429 2.227 1.00 0.12 C ATOM 319 O GLY A 25 10.875 -2.199 1.018 1.00 0.16 O ATOM 0 H GLY A 25 9.668 -3.756 4.892 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.994 -3.344 2.241 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.210 -2.102 3.459 1.00 0.12 H new ATOM 323 N THR A 26 12.025 -2.279 2.944 1.00 0.13 N ATOM 324 CA THR A 26 13.250 -1.762 2.362 1.00 0.16 C ATOM 325 C THR A 26 13.810 -2.734 1.332 1.00 0.20 C ATOM 326 O THR A 26 14.228 -2.331 0.248 1.00 0.24 O ATOM 327 CB THR A 26 14.304 -1.480 3.451 1.00 0.18 C ATOM 328 OG1 THR A 26 13.786 -0.542 4.400 1.00 0.20 O ATOM 329 CG2 THR A 26 15.586 -0.925 2.860 1.00 0.23 C ATOM 0 H THR A 26 12.094 -2.510 3.935 1.00 0.13 H new ATOM 0 HA THR A 26 13.010 -0.823 1.863 1.00 0.16 H new ATOM 0 HB THR A 26 14.531 -2.427 3.940 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.061 -0.026 3.988 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.304 -0.739 3.659 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.004 -1.645 2.157 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.372 0.009 2.340 1.00 0.23 H new ATOM 337 N LEU A 27 13.788 -4.016 1.662 1.00 0.21 N ATOM 338 CA LEU A 27 14.249 -5.036 0.739 1.00 0.28 C ATOM 339 C LEU A 27 13.264 -5.151 -0.419 1.00 0.29 C ATOM 340 O LEU A 27 13.657 -5.361 -1.569 1.00 0.34 O ATOM 341 CB LEU A 27 14.407 -6.378 1.472 1.00 0.33 C ATOM 342 CG LEU A 27 15.247 -7.453 0.760 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.472 -8.108 -0.372 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.547 -6.858 0.239 1.00 1.00 C ATOM 0 H LEU A 27 13.457 -4.372 2.559 1.00 0.21 H new ATOM 0 HA LEU A 27 15.224 -4.758 0.339 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.856 -6.184 2.446 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.413 -6.787 1.654 1.00 0.33 H new ATOM 0 HG LEU A 27 15.483 -8.225 1.492 1.00 0.57 H new ATOM 0 HD11 LEU A 27 15.096 -8.862 -0.852 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.575 -8.581 0.027 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.189 -7.352 -1.104 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.127 -7.633 -0.261 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.324 -6.059 -0.468 1.00 1.00 H new ATOM 0 HD23 LEU A 27 17.122 -6.455 1.072 1.00 1.00 H new ATOM 356 N LEU A 28 11.983 -4.962 -0.117 1.00 0.27 N ATOM 357 CA LEU A 28 10.941 -5.084 -1.123 1.00 0.31 C ATOM 358 C LEU A 28 11.095 -4.003 -2.183 1.00 0.32 C ATOM 359 O LEU A 28 11.037 -4.284 -3.381 1.00 0.37 O ATOM 360 CB LEU A 28 9.543 -4.999 -0.498 1.00 0.31 C ATOM 361 CG LEU A 28 9.216 -6.054 0.566 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.716 -6.121 0.809 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.763 -7.417 0.174 1.00 0.37 C ATOM 0 H LEU A 28 11.645 -4.724 0.816 1.00 0.27 H new ATOM 0 HA LEU A 28 11.049 -6.064 -1.588 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.427 -4.012 -0.050 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.805 -5.076 -1.296 1.00 0.31 H new ATOM 0 HG LEU A 28 9.701 -5.757 1.496 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.504 -6.875 1.567 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.359 -5.150 1.153 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.209 -6.386 -0.119 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.516 -8.144 0.947 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.320 -7.728 -0.772 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.846 -7.357 0.065 1.00 0.37 H new ATOM 375 N LEU A 29 11.312 -2.767 -1.749 1.00 0.30 N ATOM 376 CA LEU A 29 11.442 -1.668 -2.690 1.00 0.32 C ATOM 377 C LEU A 29 12.817 -1.666 -3.339 1.00 0.36 C ATOM 378 O LEU A 29 13.004 -1.091 -4.408 1.00 0.41 O ATOM 379 CB LEU A 29 11.123 -0.319 -2.021 1.00 0.30 C ATOM 380 CG LEU A 29 11.993 0.118 -0.831 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.378 0.571 -1.275 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.300 1.242 -0.085 1.00 0.31 C ATOM 0 H LEU A 29 11.400 -2.506 -0.767 1.00 0.30 H new ATOM 0 HA LEU A 29 10.708 -1.814 -3.482 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.187 0.456 -2.785 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.087 -0.350 -1.684 1.00 0.30 H new ATOM 0 HG LEU A 29 12.123 -0.743 -0.176 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.960 0.871 -0.403 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.884 -0.250 -1.784 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.283 1.416 -1.956 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.916 1.553 0.759 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.152 2.088 -0.757 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.333 0.895 0.280 1.00 0.31 H new ATOM 394 N ASP A 30 13.772 -2.313 -2.689 1.00 0.34 N ATOM 395 CA ASP A 30 15.095 -2.512 -3.271 1.00 0.39 C ATOM 396 C ASP A 30 14.987 -3.424 -4.479 1.00 0.43 C ATOM 397 O ASP A 30 15.646 -3.220 -5.496 1.00 0.49 O ATOM 398 CB ASP A 30 16.044 -3.130 -2.248 1.00 0.41 C ATOM 399 CG ASP A 30 17.441 -3.327 -2.801 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.808 -4.481 -3.101 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.177 -2.328 -2.949 1.00 0.63 O ATOM 0 H ASP A 30 13.658 -2.711 -1.757 1.00 0.34 H new ATOM 0 HA ASP A 30 15.492 -1.543 -3.575 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.092 -2.489 -1.367 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.646 -4.091 -1.922 1.00 0.41 H new ATOM 406 N GLU A 31 14.114 -4.411 -4.359 1.00 0.43 N ATOM 407 CA GLU A 31 13.890 -5.385 -5.410 1.00 0.49 C ATOM 408 C GLU A 31 13.057 -4.765 -6.523 1.00 0.51 C ATOM 409 O GLU A 31 12.929 -5.315 -7.616 1.00 0.62 O ATOM 410 CB GLU A 31 13.166 -6.597 -4.827 1.00 0.52 C ATOM 411 CG GLU A 31 13.581 -7.902 -5.466 1.00 0.97 C ATOM 412 CD GLU A 31 12.857 -9.097 -4.880 1.00 1.46 C ATOM 413 OE1 GLU A 31 11.755 -9.424 -5.363 1.00 1.76 O ATOM 414 OE2 GLU A 31 13.388 -9.719 -3.939 1.00 2.07 O ATOM 0 H GLU A 31 13.541 -4.558 -3.528 1.00 0.43 H new ATOM 0 HA GLU A 31 14.848 -5.700 -5.824 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.359 -6.647 -3.755 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.091 -6.465 -4.951 1.00 0.52 H new ATOM 0 HG2 GLU A 31 13.387 -7.855 -6.538 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.655 -8.037 -5.342 1.00 0.97 H new ATOM 421 N LEU A 32 12.487 -3.611 -6.223 1.00 0.52 N ATOM 422 CA LEU A 32 11.648 -2.895 -7.164 1.00 0.58 C ATOM 423 C LEU A 32 12.366 -1.673 -7.729 1.00 0.61 C ATOM 424 O LEU A 32 11.919 -1.066 -8.702 1.00 0.71 O ATOM 425 CB LEU A 32 10.359 -2.476 -6.466 1.00 0.56 C ATOM 426 CG LEU A 32 9.385 -3.612 -6.156 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.199 -3.085 -5.370 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.918 -4.288 -7.438 1.00 0.64 C ATOM 0 H LEU A 32 12.593 -3.146 -5.322 1.00 0.52 H new ATOM 0 HA LEU A 32 11.417 -3.555 -8.000 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.617 -1.976 -5.533 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.849 -1.742 -7.090 1.00 0.56 H new ATOM 0 HG LEU A 32 9.903 -4.355 -5.550 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.512 -3.904 -5.155 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.548 -2.649 -4.434 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.684 -2.323 -5.955 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.226 -5.093 -7.193 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.416 -3.558 -8.072 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.778 -4.698 -7.968 1.00 0.64 H new ATOM 440 N GLY A 33 13.490 -1.329 -7.107 1.00 0.57 N ATOM 441 CA GLY A 33 14.259 -0.171 -7.522 1.00 0.62 C ATOM 442 C GLY A 33 13.505 1.126 -7.313 1.00 0.63 C ATOM 443 O GLY A 33 13.570 2.027 -8.144 1.00 0.75 O ATOM 0 H GLY A 33 13.884 -1.838 -6.316 1.00 0.57 H new ATOM 0 HA2 GLY A 33 15.194 -0.139 -6.962 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.521 -0.270 -8.575 1.00 0.62 H new ATOM 447 N ILE A 34 12.783 1.226 -6.203 1.00 0.54 N ATOM 448 CA ILE A 34 11.967 2.404 -5.935 1.00 0.58 C ATOM 449 C ILE A 34 12.807 3.529 -5.348 1.00 0.65 C ATOM 450 O ILE A 34 13.611 3.307 -4.442 1.00 0.68 O ATOM 451 CB ILE A 34 10.807 2.096 -4.964 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.970 0.931 -5.493 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.932 3.329 -4.766 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.829 0.543 -4.583 1.00 0.56 C ATOM 0 H ILE A 34 12.746 0.510 -5.478 1.00 0.54 H new ATOM 0 HA ILE A 34 11.551 2.714 -6.894 1.00 0.58 H new ATOM 0 HB ILE A 34 11.229 1.815 -3.999 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.569 1.197 -6.471 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.617 0.066 -5.639 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.120 3.092 -4.079 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.533 4.139 -4.353 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.517 3.638 -5.725 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.280 -0.290 -5.023 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.224 0.245 -3.612 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.159 1.393 -4.457 1.00 0.56 H new ATOM 466 N VAL A 35 12.635 4.728 -5.877 1.00 0.77 N ATOM 467 CA VAL A 35 13.258 5.895 -5.290 1.00 0.89 C ATOM 468 C VAL A 35 12.344 6.466 -4.209 1.00 0.74 C ATOM 469 O VAL A 35 11.207 6.864 -4.474 1.00 0.90 O ATOM 470 CB VAL A 35 13.603 6.975 -6.347 1.00 1.24 C ATOM 471 CG1 VAL A 35 12.359 7.494 -7.054 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.379 8.117 -5.705 1.00 1.87 C ATOM 0 H VAL A 35 12.072 4.916 -6.707 1.00 0.77 H new ATOM 0 HA VAL A 35 14.204 5.585 -4.845 1.00 0.89 H new ATOM 0 HB VAL A 35 14.232 6.508 -7.105 1.00 1.24 H new ATOM 0 HG11 VAL A 35 12.645 8.249 -7.786 1.00 1.84 H new ATOM 0 HG12 VAL A 35 11.857 6.669 -7.560 1.00 1.84 H new ATOM 0 HG13 VAL A 35 11.683 7.936 -6.323 1.00 1.84 H new ATOM 0 HG21 VAL A 35 14.614 8.867 -6.460 1.00 1.87 H new ATOM 0 HG22 VAL A 35 13.775 8.570 -4.919 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.304 7.732 -5.276 1.00 1.87 H new ATOM 482 N LEU A 36 12.822 6.447 -2.982 1.00 0.70 N ATOM 483 CA LEU A 36 12.049 6.949 -1.862 1.00 0.66 C ATOM 484 C LEU A 36 12.346 8.417 -1.610 1.00 0.68 C ATOM 485 O LEU A 36 13.501 8.837 -1.576 1.00 0.84 O ATOM 486 CB LEU A 36 12.314 6.117 -0.599 1.00 0.86 C ATOM 487 CG LEU A 36 13.767 5.689 -0.375 1.00 1.90 C ATOM 488 CD1 LEU A 36 14.510 6.726 0.444 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.822 4.325 0.289 1.00 2.76 C ATOM 0 H LEU A 36 13.744 6.089 -2.733 1.00 0.70 H new ATOM 0 HA LEU A 36 10.993 6.857 -2.116 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.987 6.692 0.267 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.694 5.222 -0.640 1.00 0.86 H new ATOM 0 HG LEU A 36 14.260 5.613 -1.344 1.00 1.90 H new ATOM 0 HD11 LEU A 36 15.540 6.403 0.592 1.00 2.62 H new ATOM 0 HD12 LEU A 36 14.501 7.680 -0.083 1.00 2.62 H new ATOM 0 HD13 LEU A 36 14.023 6.842 1.413 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.862 4.036 0.441 1.00 2.76 H new ATOM 0 HD22 LEU A 36 13.313 4.368 1.252 1.00 2.76 H new ATOM 0 HD23 LEU A 36 13.331 3.590 -0.348 1.00 2.76 H new ATOM 501 N GLU A 37 11.289 9.193 -1.474 1.00 0.72 N ATOM 502 CA GLU A 37 11.404 10.586 -1.095 1.00 0.84 C ATOM 503 C GLU A 37 11.393 10.669 0.420 1.00 0.76 C ATOM 504 O GLU A 37 12.072 11.499 1.025 1.00 0.88 O ATOM 505 CB GLU A 37 10.250 11.391 -1.698 1.00 1.02 C ATOM 506 CG GLU A 37 10.288 12.873 -1.374 1.00 1.42 C ATOM 507 CD GLU A 37 9.153 13.626 -2.028 1.00 2.06 C ATOM 508 OE1 GLU A 37 8.021 13.577 -1.506 1.00 2.65 O ATOM 509 OE2 GLU A 37 9.383 14.264 -3.077 1.00 2.58 O ATOM 0 H GLU A 37 10.331 8.877 -1.622 1.00 0.72 H new ATOM 0 HA GLU A 37 12.335 11.008 -1.475 1.00 0.84 H new ATOM 0 HB2 GLU A 37 10.263 11.267 -2.781 1.00 1.02 H new ATOM 0 HB3 GLU A 37 9.307 10.977 -1.341 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.238 13.009 -0.294 1.00 1.42 H new ATOM 0 HG3 GLU A 37 11.239 13.292 -1.704 1.00 1.42 H new ATOM 516 N ASP A 38 10.629 9.769 1.021 1.00 0.61 N ATOM 517 CA ASP A 38 10.576 9.619 2.457 1.00 0.54 C ATOM 518 C ASP A 38 10.393 8.149 2.776 1.00 0.41 C ATOM 519 O ASP A 38 9.297 7.610 2.644 1.00 0.39 O ATOM 520 CB ASP A 38 9.439 10.446 3.071 1.00 0.60 C ATOM 521 CG ASP A 38 9.795 11.913 3.207 1.00 1.20 C ATOM 522 OD1 ASP A 38 10.674 12.251 4.031 1.00 1.20 O ATOM 523 OD2 ASP A 38 9.190 12.739 2.491 1.00 2.29 O ATOM 0 H ASP A 38 10.026 9.120 0.516 1.00 0.61 H new ATOM 0 HA ASP A 38 11.506 9.988 2.889 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.547 10.348 2.452 1.00 0.60 H new ATOM 0 HB3 ASP A 38 9.191 10.043 4.053 1.00 0.60 H new ATOM 528 N PRO A 39 11.471 7.472 3.190 1.00 0.41 N ATOM 529 CA PRO A 39 11.453 6.025 3.423 1.00 0.40 C ATOM 530 C PRO A 39 10.582 5.648 4.613 1.00 0.32 C ATOM 531 O PRO A 39 10.362 4.475 4.889 1.00 0.35 O ATOM 532 CB PRO A 39 12.917 5.686 3.710 1.00 0.57 C ATOM 533 CG PRO A 39 13.517 6.959 4.198 1.00 0.64 C ATOM 534 CD PRO A 39 12.789 8.065 3.485 1.00 0.57 C ATOM 0 HA PRO A 39 11.037 5.482 2.574 1.00 0.40 H new ATOM 0 HB2 PRO A 39 13.001 4.898 4.458 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.423 5.329 2.813 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.406 7.053 5.278 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.585 6.994 3.983 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.699 8.954 4.109 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.307 8.366 2.574 1.00 0.57 H new ATOM 542 N THR A 40 10.065 6.658 5.291 1.00 0.30 N ATOM 543 CA THR A 40 9.305 6.450 6.510 1.00 0.31 C ATOM 544 C THR A 40 7.855 6.089 6.207 1.00 0.28 C ATOM 545 O THR A 40 7.109 5.688 7.101 1.00 0.48 O ATOM 546 CB THR A 40 9.352 7.703 7.401 1.00 0.42 C ATOM 547 OG1 THR A 40 9.102 8.875 6.608 1.00 0.51 O ATOM 548 CG2 THR A 40 10.702 7.824 8.092 1.00 0.49 C ATOM 0 H THR A 40 10.159 7.636 5.015 1.00 0.30 H new ATOM 0 HA THR A 40 9.764 5.616 7.041 1.00 0.31 H new ATOM 0 HB THR A 40 8.581 7.612 8.166 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.131 9.670 7.181 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.712 8.717 8.717 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.873 6.945 8.713 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.489 7.897 7.342 1.00 0.49 H new ATOM 556 N VAL A 41 7.463 6.221 4.947 1.00 0.20 N ATOM 557 CA VAL A 41 6.094 5.935 4.543 1.00 0.17 C ATOM 558 C VAL A 41 5.835 4.432 4.514 1.00 0.14 C ATOM 559 O VAL A 41 6.766 3.625 4.468 1.00 0.15 O ATOM 560 CB VAL A 41 5.769 6.537 3.159 1.00 0.20 C ATOM 561 CG1 VAL A 41 6.039 8.031 3.152 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.551 5.843 2.052 1.00 0.23 C ATOM 0 H VAL A 41 8.073 6.524 4.188 1.00 0.20 H new ATOM 0 HA VAL A 41 5.443 6.399 5.284 1.00 0.17 H new ATOM 0 HB VAL A 41 4.709 6.374 2.965 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.804 8.439 2.169 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.417 8.517 3.904 1.00 0.24 H new ATOM 0 HG13 VAL A 41 7.090 8.212 3.378 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.298 6.292 1.091 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.619 5.956 2.235 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.296 4.783 2.036 1.00 0.23 H new ATOM 572 N LEU A 42 4.565 4.066 4.557 1.00 0.14 N ATOM 573 CA LEU A 42 4.171 2.668 4.519 1.00 0.14 C ATOM 574 C LEU A 42 3.927 2.226 3.088 1.00 0.12 C ATOM 575 O LEU A 42 3.206 2.890 2.340 1.00 0.15 O ATOM 576 CB LEU A 42 2.907 2.439 5.351 1.00 0.16 C ATOM 577 CG LEU A 42 3.034 2.752 6.843 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.714 2.504 7.555 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.142 1.920 7.469 1.00 0.22 C ATOM 0 H LEU A 42 3.786 4.721 4.619 1.00 0.14 H new ATOM 0 HA LEU A 42 4.983 2.077 4.942 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.105 3.050 4.937 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.604 1.398 5.241 1.00 0.16 H new ATOM 0 HG LEU A 42 3.290 3.806 6.953 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.824 2.732 8.615 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.943 3.143 7.125 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.427 1.459 7.437 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.218 2.155 8.531 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.915 0.861 7.348 1.00 0.22 H new ATOM 0 HD23 LEU A 42 5.089 2.146 6.978 1.00 0.22 H new ATOM 591 N ILE A 43 4.534 1.114 2.710 1.00 0.11 N ATOM 592 CA ILE A 43 4.321 0.550 1.391 1.00 0.10 C ATOM 593 C ILE A 43 3.577 -0.774 1.493 1.00 0.11 C ATOM 594 O ILE A 43 3.852 -1.594 2.371 1.00 0.15 O ATOM 595 CB ILE A 43 5.635 0.362 0.594 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.721 -0.298 1.445 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.121 1.701 0.059 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.970 -0.646 0.658 1.00 0.14 C ATOM 0 H ILE A 43 5.178 0.585 3.298 1.00 0.11 H new ATOM 0 HA ILE A 43 3.716 1.269 0.840 1.00 0.10 H new ATOM 0 HB ILE A 43 5.424 -0.302 -0.244 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.989 0.371 2.262 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.319 -1.206 1.895 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.046 1.556 -0.500 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.363 2.127 -0.598 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.303 2.381 0.891 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.700 -1.111 1.321 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.714 -1.339 -0.143 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.395 0.262 0.230 1.00 0.14 H new ATOM 610 N GLY A 44 2.618 -0.970 0.605 1.00 0.13 N ATOM 611 CA GLY A 44 1.785 -2.146 0.675 1.00 0.16 C ATOM 612 C GLY A 44 1.979 -3.081 -0.495 1.00 0.17 C ATOM 613 O GLY A 44 1.481 -2.830 -1.586 1.00 0.31 O ATOM 0 H GLY A 44 2.402 -0.335 -0.163 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.000 -2.682 1.600 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.739 -1.841 0.719 1.00 0.16 H new ATOM 617 N ASP A 45 2.695 -4.163 -0.266 1.00 0.18 N ATOM 618 CA ASP A 45 2.902 -5.173 -1.293 1.00 0.20 C ATOM 619 C ASP A 45 1.664 -6.056 -1.393 1.00 0.20 C ATOM 620 O ASP A 45 1.048 -6.379 -0.379 1.00 0.29 O ATOM 621 CB ASP A 45 4.142 -6.015 -0.974 1.00 0.32 C ATOM 622 CG ASP A 45 4.373 -7.130 -1.977 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.044 -6.884 -2.998 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.872 -8.253 -1.756 1.00 0.57 O ATOM 0 H ASP A 45 3.147 -4.369 0.625 1.00 0.18 H new ATOM 0 HA ASP A 45 3.066 -4.681 -2.252 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.018 -5.367 -0.950 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.036 -6.445 0.022 1.00 0.32 H new ATOM 629 N GLY A 46 1.277 -6.415 -2.607 1.00 0.18 N ATOM 630 CA GLY A 46 0.100 -7.244 -2.779 1.00 0.21 C ATOM 631 C GLY A 46 -1.178 -6.459 -2.562 1.00 0.18 C ATOM 632 O GLY A 46 -2.131 -6.957 -1.966 1.00 0.18 O ATOM 0 H GLY A 46 1.751 -6.151 -3.471 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.099 -7.670 -3.782 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.138 -8.078 -2.079 1.00 0.21 H new ATOM 636 N CYS A 47 -1.200 -5.231 -3.047 1.00 0.17 N ATOM 637 CA CYS A 47 -2.288 -4.319 -2.754 1.00 0.15 C ATOM 638 C CYS A 47 -3.174 -4.092 -3.968 1.00 0.19 C ATOM 639 O CYS A 47 -2.749 -3.505 -4.966 1.00 0.25 O ATOM 640 CB CYS A 47 -1.732 -2.986 -2.276 1.00 0.15 C ATOM 641 SG CYS A 47 -2.675 -2.238 -0.917 1.00 0.12 S ATOM 0 H CYS A 47 -0.473 -4.842 -3.648 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.896 -4.771 -1.971 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.701 -3.129 -1.954 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.710 -2.291 -3.115 1.00 0.15 H new ATOM 646 N ASP A 48 -4.400 -4.567 -3.870 1.00 0.19 N ATOM 647 CA ASP A 48 -5.398 -4.350 -4.904 1.00 0.24 C ATOM 648 C ASP A 48 -6.352 -3.244 -4.469 1.00 0.21 C ATOM 649 O ASP A 48 -6.760 -3.200 -3.308 1.00 0.19 O ATOM 650 CB ASP A 48 -6.182 -5.634 -5.183 1.00 0.30 C ATOM 651 CG ASP A 48 -5.291 -6.771 -5.638 1.00 1.50 C ATOM 652 OD1 ASP A 48 -5.031 -6.879 -6.856 1.00 2.21 O ATOM 653 OD2 ASP A 48 -4.845 -7.564 -4.781 1.00 2.02 O ATOM 0 H ASP A 48 -4.734 -5.113 -3.075 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.889 -4.054 -5.821 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.715 -5.933 -4.281 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.934 -5.438 -5.947 1.00 0.30 H new ATOM 658 N PRO A 49 -6.704 -2.328 -5.383 1.00 0.26 N ATOM 659 CA PRO A 49 -7.619 -1.220 -5.088 1.00 0.28 C ATOM 660 C PRO A 49 -8.989 -1.713 -4.637 1.00 0.31 C ATOM 661 O PRO A 49 -9.565 -2.613 -5.252 1.00 0.37 O ATOM 662 CB PRO A 49 -7.744 -0.475 -6.421 1.00 0.35 C ATOM 663 CG PRO A 49 -6.590 -0.924 -7.246 1.00 0.44 C ATOM 664 CD PRO A 49 -6.238 -2.305 -6.776 1.00 0.34 C ATOM 0 HA PRO A 49 -7.245 -0.598 -4.275 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.689 -0.707 -6.912 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.720 0.604 -6.270 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.850 -0.930 -8.305 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.743 -0.247 -7.129 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.731 -3.070 -7.376 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -5.166 -2.490 -6.843 1.00 0.34 H new ATOM 672 N ILE A 50 -9.513 -1.123 -3.570 1.00 0.30 N ATOM 673 CA ILE A 50 -10.813 -1.521 -3.054 1.00 0.36 C ATOM 674 C ILE A 50 -11.911 -0.732 -3.753 1.00 0.43 C ATOM 675 O ILE A 50 -12.097 0.461 -3.505 1.00 0.46 O ATOM 676 CB ILE A 50 -10.929 -1.325 -1.527 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.778 -2.022 -0.806 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.248 -1.882 -1.031 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.833 -1.893 0.704 1.00 0.31 C ATOM 0 H ILE A 50 -9.060 -0.372 -3.049 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.926 -2.586 -3.257 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.883 -0.257 -1.314 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.783 -3.079 -1.071 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.835 -1.608 -1.162 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.321 -1.739 0.047 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.070 -1.362 -1.522 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.303 -2.946 -1.261 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.983 -2.414 1.145 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.797 -0.839 0.981 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.759 -2.333 1.073 1.00 0.31 H new ATOM 782 N CYS A 59 -11.810 -6.595 1.584 1.00 0.45 N ATOM 783 CA CYS A 59 -10.389 -6.792 1.801 1.00 0.54 C ATOM 784 C CYS A 59 -10.149 -8.133 2.479 1.00 0.55 C ATOM 785 O CYS A 59 -10.946 -8.562 3.312 1.00 0.74 O ATOM 786 CB CYS A 59 -9.820 -5.662 2.660 1.00 0.73 C ATOM 787 SG CYS A 59 -8.030 -5.799 2.971 1.00 0.74 S ATOM 0 HA CYS A 59 -9.883 -6.785 0.836 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.022 -4.710 2.170 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.344 -5.646 3.615 1.00 0.73 H new ATOM 792 N SER A 60 -9.065 -8.798 2.109 1.00 0.64 N ATOM 793 CA SER A 60 -8.751 -10.097 2.672 1.00 0.86 C ATOM 794 C SER A 60 -7.577 -10.005 3.645 1.00 0.71 C ATOM 795 O SER A 60 -7.487 -10.785 4.596 1.00 1.05 O ATOM 796 CB SER A 60 -8.442 -11.093 1.556 1.00 1.24 C ATOM 797 OG SER A 60 -8.407 -12.422 2.046 1.00 2.14 O ATOM 0 H SER A 60 -8.391 -8.458 1.423 1.00 0.64 H new ATOM 0 HA SER A 60 -9.621 -10.447 3.228 1.00 0.86 H new ATOM 0 HB2 SER A 60 -9.197 -11.011 0.774 1.00 1.24 H new ATOM 0 HB3 SER A 60 -7.483 -10.846 1.101 1.00 1.24 H new ATOM 0 HG SER A 60 -8.209 -13.037 1.309 1.00 2.14 H new ATOM 803 N ALA A 61 -6.686 -9.045 3.424 1.00 0.38 N ATOM 804 CA ALA A 61 -5.494 -8.928 4.252 1.00 0.32 C ATOM 805 C ALA A 61 -5.524 -7.667 5.114 1.00 0.32 C ATOM 806 O ALA A 61 -5.850 -7.734 6.298 1.00 0.54 O ATOM 807 CB ALA A 61 -4.241 -8.977 3.392 1.00 0.38 C ATOM 0 H ALA A 61 -6.765 -8.344 2.687 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.477 -9.779 4.933 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.360 -8.888 4.027 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.206 -9.924 2.854 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.258 -8.154 2.678 1.00 0.38 H new ATOM 813 N THR A 62 -5.185 -6.521 4.538 1.00 0.22 N ATOM 814 CA THR A 62 -5.165 -5.274 5.293 1.00 0.19 C ATOM 815 C THR A 62 -5.598 -4.096 4.423 1.00 0.18 C ATOM 816 O THR A 62 -5.067 -3.888 3.335 1.00 0.20 O ATOM 817 CB THR A 62 -3.758 -4.993 5.858 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.247 -6.165 6.508 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.790 -3.839 6.851 1.00 0.24 C ATOM 0 H THR A 62 -4.922 -6.428 3.557 1.00 0.22 H new ATOM 0 HA THR A 62 -5.869 -5.386 6.118 1.00 0.19 H new ATOM 0 HB THR A 62 -3.108 -4.721 5.026 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.353 -5.979 6.863 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.785 -3.661 7.235 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.152 -2.940 6.352 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.455 -4.089 7.678 1.00 0.24 H new ATOM 827 N ALA A 63 -6.560 -3.329 4.909 1.00 0.19 N ATOM 828 CA ALA A 63 -7.061 -2.177 4.178 1.00 0.20 C ATOM 829 C ALA A 63 -6.211 -0.952 4.478 1.00 0.17 C ATOM 830 O ALA A 63 -5.841 -0.704 5.628 1.00 0.19 O ATOM 831 CB ALA A 63 -8.519 -1.918 4.529 1.00 0.25 C ATOM 0 H ALA A 63 -7.011 -3.484 5.811 1.00 0.19 H new ATOM 0 HA ALA A 63 -6.999 -2.387 3.110 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -8.879 -1.052 3.973 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.117 -2.791 4.267 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.607 -1.725 5.598 1.00 0.25 H new ATOM 837 N VAL A 64 -5.897 -0.192 3.444 1.00 0.14 N ATOM 838 CA VAL A 64 -5.016 0.958 3.571 1.00 0.13 C ATOM 839 C VAL A 64 -5.420 2.081 2.624 1.00 0.14 C ATOM 840 O VAL A 64 -6.235 1.889 1.721 1.00 0.21 O ATOM 841 CB VAL A 64 -3.556 0.572 3.272 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.919 -0.146 4.454 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.506 -0.294 2.029 1.00 0.19 C ATOM 0 H VAL A 64 -6.242 -0.352 2.498 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.104 1.305 4.601 1.00 0.13 H new ATOM 0 HB VAL A 64 -2.984 1.484 3.099 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.889 -0.405 4.210 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -2.932 0.507 5.327 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.479 -1.055 4.672 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.472 -0.567 1.817 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.094 -1.197 2.191 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.916 0.259 1.184 1.00 0.19 H new ATOM 853 N CYS A 65 -4.837 3.247 2.844 1.00 0.17 N ATOM 854 CA CYS A 65 -5.078 4.409 2.008 1.00 0.17 C ATOM 855 C CYS A 65 -3.755 5.035 1.587 1.00 0.13 C ATOM 856 O CYS A 65 -3.072 5.660 2.398 1.00 0.14 O ATOM 857 CB CYS A 65 -5.920 5.438 2.766 1.00 0.23 C ATOM 858 SG CYS A 65 -6.069 7.047 1.922 1.00 0.39 S ATOM 0 H CYS A 65 -4.183 3.414 3.608 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.621 4.092 1.118 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.918 5.029 2.924 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.481 5.596 3.751 1.00 0.23 H new ATOM 0 HG CYS A 65 -6.800 7.847 2.640 1.00 0.39 H new ATOM 863 N CYS A 66 -3.384 4.844 0.332 1.00 0.12 N ATOM 864 CA CYS A 66 -2.133 5.378 -0.188 1.00 0.13 C ATOM 865 C CYS A 66 -2.318 6.745 -0.820 1.00 0.16 C ATOM 866 O CYS A 66 -3.237 6.975 -1.608 1.00 0.23 O ATOM 867 CB CYS A 66 -1.504 4.418 -1.194 1.00 0.19 C ATOM 868 SG CYS A 66 -0.372 3.203 -0.450 1.00 0.65 S ATOM 0 H CYS A 66 -3.933 4.321 -0.350 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.460 5.490 0.662 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.298 3.886 -1.718 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -0.960 4.996 -1.941 1.00 0.19 H new ATOM 873 N SER A 67 -1.417 7.643 -0.459 1.00 0.24 N ATOM 874 CA SER A 67 -1.434 9.007 -0.949 1.00 0.29 C ATOM 875 C SER A 67 -0.693 9.104 -2.283 1.00 0.32 C ATOM 876 O SER A 67 -0.802 10.100 -3.002 1.00 0.41 O ATOM 877 CB SER A 67 -0.791 9.923 0.096 1.00 0.35 C ATOM 878 OG SER A 67 -1.048 11.292 -0.175 1.00 1.15 O ATOM 0 H SER A 67 -0.651 7.444 0.185 1.00 0.24 H new ATOM 0 HA SER A 67 -2.464 9.321 -1.116 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.173 9.670 1.085 1.00 0.35 H new ATOM 0 HB3 SER A 67 0.285 9.752 0.116 1.00 0.35 H new ATOM 0 HG SER A 67 -0.925 11.465 -1.132 1.00 1.15 H new ATOM 884 N ASP A 68 0.048 8.054 -2.611 1.00 0.30 N ATOM 885 CA ASP A 68 0.825 8.013 -3.845 1.00 0.37 C ATOM 886 C ASP A 68 0.183 7.048 -4.841 1.00 0.44 C ATOM 887 O ASP A 68 -0.557 6.146 -4.446 1.00 0.57 O ATOM 888 CB ASP A 68 2.265 7.596 -3.545 1.00 0.43 C ATOM 889 CG ASP A 68 3.162 7.701 -4.756 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.265 6.706 -5.511 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.777 8.762 -4.950 1.00 1.52 O ATOM 0 H ASP A 68 0.128 7.215 -2.037 1.00 0.30 H new ATOM 0 HA ASP A 68 0.837 9.009 -4.289 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.663 8.223 -2.747 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.274 6.570 -3.178 1.00 0.43 H new ATOM 896 N ASN A 69 0.460 7.242 -6.127 1.00 0.53 N ATOM 897 CA ASN A 69 -0.222 6.488 -7.175 1.00 0.63 C ATOM 898 C ASN A 69 0.738 5.677 -8.054 1.00 0.59 C ATOM 899 O ASN A 69 0.299 4.781 -8.780 1.00 0.64 O ATOM 900 CB ASN A 69 -1.040 7.436 -8.060 1.00 0.84 C ATOM 901 CG ASN A 69 -0.175 8.392 -8.868 1.00 1.67 C ATOM 902 OD1 ASN A 69 0.918 8.781 -8.447 1.00 2.35 O ATOM 903 ND2 ASN A 69 -0.657 8.779 -10.039 1.00 2.49 N ATOM 0 H ASN A 69 1.149 7.912 -6.468 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.877 5.779 -6.669 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.655 6.848 -8.741 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.720 8.012 -7.433 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -0.121 9.419 -10.625 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -1.564 8.437 -10.355 1.00 2.49 H new ATOM 910 N ASN A 70 2.036 5.964 -7.996 1.00 0.59 N ATOM 911 CA ASN A 70 2.981 5.325 -8.916 1.00 0.64 C ATOM 912 C ASN A 70 3.492 4.006 -8.348 1.00 0.55 C ATOM 913 O ASN A 70 4.637 3.882 -7.919 1.00 0.86 O ATOM 914 CB ASN A 70 4.145 6.263 -9.296 1.00 0.83 C ATOM 915 CG ASN A 70 4.849 6.890 -8.108 1.00 1.50 C ATOM 916 OD1 ASN A 70 5.806 6.336 -7.563 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.404 8.075 -7.722 1.00 2.27 N ATOM 0 H ASN A 70 2.454 6.621 -7.337 1.00 0.59 H new ATOM 0 HA ASN A 70 2.438 5.107 -9.836 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.873 5.702 -9.881 1.00 0.83 H new ATOM 0 HB3 ASN A 70 3.763 7.056 -9.938 1.00 0.83 H new ATOM 0 HD21 ASN A 70 4.856 8.562 -6.948 1.00 2.27 H new ATOM 0 HD22 ASN A 70 3.609 8.501 -8.198 1.00 2.27 H new ATOM 924 N VAL A 71 2.618 3.014 -8.363 1.00 0.41 N ATOM 925 CA VAL A 71 2.931 1.701 -7.840 1.00 0.38 C ATOM 926 C VAL A 71 3.621 0.841 -8.897 1.00 0.33 C ATOM 927 O VAL A 71 3.595 1.159 -10.086 1.00 0.38 O ATOM 928 CB VAL A 71 1.647 1.005 -7.355 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.919 1.885 -6.350 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.736 0.660 -8.523 1.00 1.03 C ATOM 0 H VAL A 71 1.673 3.099 -8.738 1.00 0.41 H new ATOM 0 HA VAL A 71 3.613 1.824 -6.999 1.00 0.38 H new ATOM 0 HB VAL A 71 1.929 0.073 -6.865 1.00 0.52 H new ATOM 0 HG11 VAL A 71 0.012 1.381 -6.015 1.00 1.10 H new ATOM 0 HG12 VAL A 71 1.567 2.073 -5.494 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.655 2.832 -6.820 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.163 0.169 -8.150 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.459 1.573 -9.051 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.258 -0.010 -9.206 1.00 1.03 H new ATOM 940 N SER A 72 4.230 -0.251 -8.453 1.00 0.32 N ATOM 941 CA SER A 72 5.021 -1.114 -9.325 1.00 0.37 C ATOM 942 C SER A 72 4.148 -2.127 -10.056 1.00 0.42 C ATOM 943 O SER A 72 4.639 -2.916 -10.863 1.00 0.55 O ATOM 944 CB SER A 72 6.061 -1.854 -8.488 1.00 0.45 C ATOM 945 OG SER A 72 5.426 -2.683 -7.528 1.00 1.41 O ATOM 0 H SER A 72 4.191 -0.564 -7.483 1.00 0.32 H new ATOM 0 HA SER A 72 5.507 -0.487 -10.073 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.696 -2.458 -9.136 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.710 -1.137 -7.986 1.00 0.45 H new ATOM 0 HG SER A 72 6.091 -3.269 -7.110 1.00 1.41 H new ATOM 951 N GLY A 73 2.859 -2.111 -9.758 1.00 0.39 N ATOM 952 CA GLY A 73 1.948 -3.059 -10.364 1.00 0.48 C ATOM 953 C GLY A 73 1.143 -3.812 -9.340 1.00 0.41 C ATOM 954 O GLY A 73 -0.008 -4.173 -9.593 1.00 0.48 O ATOM 0 H GLY A 73 2.426 -1.457 -9.106 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.273 -2.531 -11.037 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.514 -3.767 -10.970 1.00 0.48 H new ATOM 958 N VAL A 74 1.728 -4.047 -8.175 1.00 0.31 N ATOM 959 CA VAL A 74 1.015 -4.746 -7.120 1.00 0.28 C ATOM 960 C VAL A 74 1.205 -4.077 -5.765 1.00 0.22 C ATOM 961 O VAL A 74 0.515 -4.407 -4.813 1.00 0.34 O ATOM 962 CB VAL A 74 1.444 -6.225 -7.011 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.391 -6.901 -8.371 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.825 -6.346 -6.396 1.00 0.38 C ATOM 0 H VAL A 74 2.680 -3.768 -7.939 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.039 -4.702 -7.396 1.00 0.28 H new ATOM 0 HB VAL A 74 0.741 -6.735 -6.352 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.697 -7.942 -8.272 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.374 -6.857 -8.760 1.00 0.49 H new ATOM 0 HG13 VAL A 74 2.064 -6.389 -9.058 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.103 -7.398 -6.331 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.548 -5.817 -7.018 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.818 -5.910 -5.397 1.00 0.38 H new ATOM 974 N ILE A 75 2.145 -3.149 -5.662 1.00 0.18 N ATOM 975 CA ILE A 75 2.381 -2.491 -4.385 1.00 0.17 C ATOM 976 C ILE A 75 1.528 -1.245 -4.233 1.00 0.16 C ATOM 977 O ILE A 75 0.678 -0.944 -5.070 1.00 0.20 O ATOM 978 CB ILE A 75 3.852 -2.081 -4.189 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.267 -1.064 -5.239 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.746 -3.292 -4.248 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.553 -0.344 -4.912 1.00 0.30 C ATOM 0 H ILE A 75 2.744 -2.840 -6.427 1.00 0.18 H new ATOM 0 HA ILE A 75 2.112 -3.230 -3.630 1.00 0.17 H new ATOM 0 HB ILE A 75 3.954 -1.621 -3.206 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.378 -1.570 -6.198 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.470 -0.330 -5.356 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.783 -2.986 -4.108 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.464 -3.991 -3.460 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.639 -3.776 -5.219 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.785 0.365 -5.706 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.441 0.191 -3.969 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.363 -1.068 -4.824 1.00 0.30 H new ATOM 993 N ALA A 76 1.770 -0.550 -3.141 1.00 0.15 N ATOM 994 CA ALA A 76 1.144 0.726 -2.849 1.00 0.16 C ATOM 995 C ALA A 76 2.128 1.583 -2.057 1.00 0.14 C ATOM 996 O ALA A 76 2.883 1.053 -1.245 1.00 0.15 O ATOM 997 CB ALA A 76 -0.143 0.504 -2.068 1.00 0.18 C ATOM 0 H ALA A 76 2.419 -0.860 -2.418 1.00 0.15 H new ATOM 0 HA ALA A 76 0.888 1.242 -3.774 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.608 1.466 -1.852 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.827 -0.105 -2.659 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.083 -0.008 -1.133 1.00 0.18 H new ATOM 1003 N ILE A 77 2.144 2.888 -2.299 1.00 0.15 N ATOM 1004 CA ILE A 77 3.124 3.763 -1.656 1.00 0.16 C ATOM 1005 C ILE A 77 2.445 4.881 -0.862 1.00 0.16 C ATOM 1006 O ILE A 77 1.539 5.551 -1.359 1.00 0.21 O ATOM 1007 CB ILE A 77 4.086 4.383 -2.697 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.768 3.279 -3.513 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.130 5.259 -2.012 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.654 3.797 -4.625 1.00 0.26 C ATOM 0 H ILE A 77 1.498 3.363 -2.929 1.00 0.15 H new ATOM 0 HA ILE A 77 3.696 3.143 -0.966 1.00 0.16 H new ATOM 0 HB ILE A 77 3.504 5.010 -3.373 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.366 2.662 -2.843 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.003 2.633 -3.943 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.796 5.685 -2.762 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.632 6.063 -1.471 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.709 4.656 -1.313 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.100 2.956 -5.156 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.058 4.389 -5.319 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.443 4.419 -4.202 1.00 0.26 H new ATOM 1022 N GLY A 78 2.882 5.061 0.381 1.00 0.16 N ATOM 1023 CA GLY A 78 2.350 6.121 1.216 1.00 0.17 C ATOM 1024 C GLY A 78 0.979 5.786 1.760 1.00 0.15 C ATOM 1025 O GLY A 78 0.053 6.589 1.651 1.00 0.17 O ATOM 0 H GLY A 78 3.599 4.488 0.826 1.00 0.16 H new ATOM 0 HA2 GLY A 78 3.033 6.305 2.045 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.294 7.043 0.638 1.00 0.17 H new ATOM 1029 N CYS A 79 0.855 4.607 2.352 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.430 4.116 2.823 1.00 0.13 C ATOM 1031 C CYS A 79 -0.632 4.329 4.315 1.00 0.13 C ATOM 1032 O CYS A 79 0.299 4.215 5.111 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.566 2.629 2.509 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.470 2.270 0.970 1.00 0.65 S ATOM 0 H CYS A 79 1.634 3.970 2.518 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.195 4.690 2.301 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.430 2.191 2.443 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.075 2.139 3.339 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.859 4.669 4.675 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.290 4.681 6.061 1.00 0.15 C ATOM 1041 C LEU A 80 -3.248 3.523 6.299 1.00 0.15 C ATOM 1042 O LEU A 80 -4.167 3.306 5.512 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.981 5.994 6.412 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.115 7.247 6.284 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.943 8.494 6.551 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.937 7.176 7.245 1.00 0.26 C ATOM 0 H LEU A 80 -2.584 4.945 4.013 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.411 4.578 6.697 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.853 6.109 5.769 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.347 5.929 7.437 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.730 7.300 5.266 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.311 9.377 6.456 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.758 8.551 5.829 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.354 8.449 7.560 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.329 8.075 7.143 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.306 7.102 8.268 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.331 6.300 7.014 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.033 2.755 7.370 1.00 0.15 N ATOM 1059 CA PRO A 81 -3.874 1.601 7.700 1.00 0.17 C ATOM 1060 C PRO A 81 -5.290 2.011 8.097 1.00 0.21 C ATOM 1061 O PRO A 81 -5.481 2.877 8.955 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.153 0.946 8.886 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.801 1.574 8.935 1.00 0.20 C ATOM 1064 CD PRO A 81 -1.955 2.945 8.343 1.00 0.17 C ATOM 0 HA PRO A 81 -3.997 0.935 6.846 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.697 1.114 9.816 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.079 -0.133 8.751 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.435 1.631 9.960 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.078 0.985 8.371 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.217 3.685 9.099 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.036 3.287 7.867 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.276 1.395 7.456 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.668 1.648 7.747 1.00 0.30 C ATOM 1074 C VAL A 82 -8.409 0.332 7.948 1.00 0.39 C ATOM 1075 O VAL A 82 -7.933 -0.729 7.548 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.352 2.455 6.625 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.898 3.904 6.648 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.081 1.842 5.260 1.00 0.20 C ATOM 0 H VAL A 82 -6.125 0.706 6.719 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.707 2.240 8.662 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.426 2.423 6.806 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.394 4.453 5.848 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.155 4.351 7.608 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.818 3.949 6.505 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.577 2.434 4.490 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.007 1.830 5.073 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.465 0.822 5.237 1.00 0.20 H new