USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 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= -4.13! C(o=-4.1!,f=-8.7!) USER MOD Single : A 15 GLN : amide:sc= -2.39! K(o=-2.4!,f=-1) USER MOD Single : A 16 ASN : amide:sc= -0.0086 K(o=-0.0086,f=-1.2) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 26 THR OG1 : rot -30:sc= 1.1 USER MOD Single : A 40 THR OG1 : rot 40:sc= 1.18 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0.669 K(o=0.67,f=-0.14) USER MOD Single : A 72 SER OG : rot -46:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 111 N SER A 10 -6.351 7.287 -2.340 1.00 0.38 N ATOM 112 CA SER A 10 -7.059 6.145 -2.884 1.00 0.39 C ATOM 113 C SER A 10 -6.956 4.988 -1.900 1.00 0.28 C ATOM 114 O SER A 10 -5.953 4.859 -1.204 1.00 0.29 O ATOM 115 CB SER A 10 -6.465 5.757 -4.241 1.00 0.52 C ATOM 116 OG SER A 10 -7.264 4.789 -4.903 1.00 0.96 O ATOM 0 HA SER A 10 -8.109 6.396 -3.035 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.375 6.645 -4.867 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.458 5.364 -4.099 1.00 0.52 H new ATOM 0 HG SER A 10 -6.858 4.565 -5.766 1.00 0.96 H new ATOM 122 N ILE A 11 -8.002 4.186 -1.800 1.00 0.32 N ATOM 123 CA ILE A 11 -7.996 3.052 -0.902 1.00 0.27 C ATOM 124 C ILE A 11 -7.668 1.763 -1.635 1.00 0.20 C ATOM 125 O ILE A 11 -8.099 1.535 -2.767 1.00 0.26 O ATOM 126 CB ILE A 11 -9.349 2.904 -0.188 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.662 4.161 0.606 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.361 1.695 0.736 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.191 5.308 -0.222 1.00 0.96 C ATOM 0 H ILE A 11 -8.865 4.302 -2.331 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.220 3.239 -0.160 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.113 2.756 -0.951 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -10.394 3.917 1.376 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -8.757 4.487 1.119 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.332 1.620 1.225 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.176 0.791 0.155 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.583 1.806 1.491 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.387 6.163 0.425 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -9.453 5.584 -0.975 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -11.115 5.006 -0.714 1.00 0.96 H new ATOM 141 N GLN A 12 -6.909 0.925 -0.964 1.00 0.13 N ATOM 142 CA GLN A 12 -6.517 -0.373 -1.503 1.00 0.10 C ATOM 143 C GLN A 12 -6.422 -1.408 -0.396 1.00 0.11 C ATOM 144 O GLN A 12 -6.433 -1.075 0.790 1.00 0.17 O ATOM 145 CB GLN A 12 -5.193 -0.332 -2.292 1.00 0.12 C ATOM 146 CG GLN A 12 -4.152 0.657 -1.792 1.00 0.22 C ATOM 147 CD GLN A 12 -4.396 2.078 -2.267 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.091 3.024 -1.561 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.912 2.240 -3.481 1.00 0.35 N ATOM 0 H GLN A 12 -6.543 1.117 -0.031 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.300 -0.654 -2.207 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.754 -1.330 -2.279 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.419 -0.097 -3.332 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.141 0.643 -0.702 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.165 0.335 -2.125 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.156 1.425 -4.044 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.064 3.179 -3.849 1.00 0.35 H new ATOM 158 N CYS A 13 -6.351 -2.664 -0.794 1.00 0.12 N ATOM 159 CA CYS A 13 -6.241 -3.761 0.143 1.00 0.16 C ATOM 160 C CYS A 13 -4.895 -4.449 -0.034 1.00 0.13 C ATOM 161 O CYS A 13 -4.672 -5.173 -1.008 1.00 0.15 O ATOM 162 CB CYS A 13 -7.400 -4.748 -0.047 1.00 0.25 C ATOM 163 SG CYS A 13 -7.274 -6.250 0.977 1.00 0.34 S ATOM 0 H CYS A 13 -6.368 -2.950 -1.773 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.302 -3.375 1.160 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.337 -4.241 0.185 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.446 -5.039 -1.096 1.00 0.25 H new ATOM 168 N CYS A 14 -3.997 -4.193 0.902 1.00 0.12 N ATOM 169 CA CYS A 14 -2.635 -4.694 0.829 1.00 0.12 C ATOM 170 C CYS A 14 -2.525 -6.071 1.445 1.00 0.15 C ATOM 171 O CYS A 14 -3.034 -6.321 2.536 1.00 0.19 O ATOM 172 CB CYS A 14 -1.672 -3.752 1.548 1.00 0.14 C ATOM 173 SG CYS A 14 -1.326 -2.192 0.671 1.00 0.13 S ATOM 0 H CYS A 14 -4.191 -3.633 1.732 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.369 -4.752 -0.226 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -2.082 -3.516 2.530 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.730 -4.275 1.713 1.00 0.14 H new ATOM 178 N GLN A 15 -1.860 -6.960 0.725 1.00 0.15 N ATOM 179 CA GLN A 15 -1.547 -8.279 1.230 1.00 0.16 C ATOM 180 C GLN A 15 -0.473 -8.155 2.307 1.00 0.18 C ATOM 181 O GLN A 15 -0.396 -8.967 3.227 1.00 0.23 O ATOM 182 CB GLN A 15 -1.121 -9.190 0.057 1.00 0.17 C ATOM 183 CG GLN A 15 0.328 -9.673 0.064 1.00 0.23 C ATOM 184 CD GLN A 15 0.592 -10.779 1.072 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.695 -10.896 1.602 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.417 -11.598 1.338 1.00 0.33 N ATOM 0 H GLN A 15 -1.525 -6.785 -0.222 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.420 -8.741 1.691 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.772 -10.064 0.049 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.297 -8.652 -0.875 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.589 -10.030 -0.932 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.983 -8.829 0.282 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.317 -11.466 0.876 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.293 -12.360 2.005 1.00 0.33 H new ATOM 195 N ASN A 16 0.333 -7.110 2.195 1.00 0.17 N ATOM 196 CA ASN A 16 1.398 -6.855 3.149 1.00 0.21 C ATOM 197 C ASN A 16 1.582 -5.355 3.341 1.00 0.21 C ATOM 198 O ASN A 16 1.710 -4.614 2.366 1.00 0.40 O ATOM 199 CB ASN A 16 2.695 -7.463 2.641 1.00 0.29 C ATOM 200 CG ASN A 16 3.573 -7.985 3.754 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.611 -7.433 4.853 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.273 -9.067 3.474 1.00 0.75 N ATOM 0 H ASN A 16 0.267 -6.421 1.446 1.00 0.17 H new ATOM 0 HA ASN A 16 1.132 -7.307 4.105 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.464 -8.277 1.954 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.244 -6.713 2.073 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.878 -9.481 4.183 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.209 -9.490 2.548 1.00 0.75 H new ATOM 209 N VAL A 17 1.579 -4.906 4.584 1.00 0.16 N ATOM 210 CA VAL A 17 1.792 -3.496 4.886 1.00 0.13 C ATOM 211 C VAL A 17 3.079 -3.315 5.679 1.00 0.14 C ATOM 212 O VAL A 17 3.143 -3.643 6.867 1.00 0.18 O ATOM 213 CB VAL A 17 0.608 -2.890 5.673 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.857 -1.420 5.982 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.686 -3.057 4.892 1.00 0.14 C ATOM 0 H VAL A 17 1.432 -5.496 5.403 1.00 0.16 H new ATOM 0 HA VAL A 17 1.869 -2.969 3.935 1.00 0.13 H new ATOM 0 HB VAL A 17 0.517 -3.425 6.619 1.00 0.14 H new ATOM 0 HG11 VAL A 17 0.010 -1.016 6.536 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.762 -1.322 6.581 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.977 -0.868 5.050 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.511 -2.626 5.459 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.600 -2.548 3.932 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.876 -4.117 4.725 1.00 0.14 H new ATOM 225 N VAL A 18 4.102 -2.800 5.016 1.00 0.12 N ATOM 226 CA VAL A 18 5.417 -2.659 5.620 1.00 0.13 C ATOM 227 C VAL A 18 5.978 -1.259 5.384 1.00 0.12 C ATOM 228 O VAL A 18 5.746 -0.662 4.337 1.00 0.12 O ATOM 229 CB VAL A 18 6.403 -3.698 5.046 1.00 0.13 C ATOM 230 CG1 VAL A 18 6.024 -5.104 5.485 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.450 -3.612 3.527 1.00 0.13 C ATOM 0 H VAL A 18 4.046 -2.471 4.052 1.00 0.12 H new ATOM 0 HA VAL A 18 5.301 -2.826 6.691 1.00 0.13 H new ATOM 0 HB VAL A 18 7.395 -3.473 5.436 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.733 -5.819 5.068 1.00 0.18 H new ATOM 0 HG12 VAL A 18 6.046 -5.164 6.573 1.00 0.18 H new ATOM 0 HG13 VAL A 18 5.021 -5.338 5.129 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.151 -4.353 3.142 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.457 -3.806 3.121 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.775 -2.615 3.229 1.00 0.13 H new ATOM 241 N PRO A 19 6.694 -0.701 6.368 1.00 0.14 N ATOM 242 CA PRO A 19 7.415 0.560 6.190 1.00 0.15 C ATOM 243 C PRO A 19 8.501 0.433 5.127 1.00 0.12 C ATOM 244 O PRO A 19 9.188 -0.582 5.046 1.00 0.10 O ATOM 245 CB PRO A 19 8.033 0.833 7.565 1.00 0.17 C ATOM 246 CG PRO A 19 7.269 -0.026 8.516 1.00 0.19 C ATOM 247 CD PRO A 19 6.836 -1.230 7.731 1.00 0.17 C ATOM 0 HA PRO A 19 6.762 1.364 5.852 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.094 0.585 7.576 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.949 1.886 7.832 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.889 -0.316 9.364 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.408 0.508 8.918 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.575 -2.030 7.779 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.898 -1.640 8.105 1.00 0.17 H new ATOM 255 N GLY A 20 8.646 1.467 4.305 1.00 0.14 N ATOM 256 CA GLY A 20 9.622 1.435 3.227 1.00 0.13 C ATOM 257 C GLY A 20 11.049 1.394 3.734 1.00 0.14 C ATOM 258 O GLY A 20 11.957 0.962 3.026 1.00 0.18 O ATOM 0 H GLY A 20 8.104 2.329 4.365 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.438 0.562 2.601 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.490 2.314 2.596 1.00 0.13 H new ATOM 262 N ASP A 21 11.242 1.848 4.961 1.00 0.17 N ATOM 263 CA ASP A 21 12.552 1.824 5.602 1.00 0.21 C ATOM 264 C ASP A 21 12.637 0.637 6.562 1.00 0.19 C ATOM 265 O ASP A 21 13.616 0.461 7.285 1.00 0.23 O ATOM 266 CB ASP A 21 12.784 3.147 6.336 1.00 0.31 C ATOM 267 CG ASP A 21 14.153 3.259 6.975 1.00 1.23 C ATOM 268 OD1 ASP A 21 14.239 3.245 8.219 1.00 1.22 O ATOM 269 OD2 ASP A 21 15.157 3.329 6.233 1.00 2.27 O ATOM 0 H ASP A 21 10.501 2.242 5.541 1.00 0.17 H new ATOM 0 HA ASP A 21 13.331 1.706 4.849 1.00 0.21 H new ATOM 0 HB2 ASP A 21 12.653 3.970 5.633 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.023 3.262 7.107 1.00 0.31 H new ATOM 274 N SER A 22 11.600 -0.190 6.546 1.00 0.16 N ATOM 275 CA SER A 22 11.567 -1.394 7.358 1.00 0.17 C ATOM 276 C SER A 22 12.466 -2.457 6.758 1.00 0.16 C ATOM 277 O SER A 22 12.706 -2.454 5.557 1.00 0.14 O ATOM 278 CB SER A 22 10.137 -1.933 7.454 1.00 0.18 C ATOM 279 OG SER A 22 10.091 -3.207 8.069 1.00 0.24 O ATOM 0 H SER A 22 10.767 -0.046 5.975 1.00 0.16 H new ATOM 0 HA SER A 22 11.923 -1.143 8.357 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.523 -1.234 8.022 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.706 -1.997 6.455 1.00 0.18 H new ATOM 0 HG SER A 22 9.162 -3.516 8.113 1.00 0.24 H new ATOM 285 N ASP A 23 12.940 -3.371 7.581 1.00 0.20 N ATOM 286 CA ASP A 23 13.776 -4.465 7.098 1.00 0.22 C ATOM 287 C ASP A 23 13.067 -5.210 5.980 1.00 0.20 C ATOM 288 O ASP A 23 13.673 -5.573 4.971 1.00 0.22 O ATOM 289 CB ASP A 23 14.102 -5.440 8.228 1.00 0.29 C ATOM 290 CG ASP A 23 15.133 -4.901 9.191 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.741 -4.293 10.209 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.345 -5.077 8.937 1.00 0.61 O ATOM 0 H ASP A 23 12.764 -3.383 8.586 1.00 0.20 H new ATOM 0 HA ASP A 23 14.706 -4.039 6.721 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.188 -5.673 8.775 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.465 -6.375 7.801 1.00 0.29 H new ATOM 297 N LEU A 24 11.773 -5.420 6.161 1.00 0.20 N ATOM 298 CA LEU A 24 10.967 -6.070 5.147 1.00 0.21 C ATOM 299 C LEU A 24 10.723 -5.135 3.976 1.00 0.17 C ATOM 300 O LEU A 24 11.095 -5.444 2.851 1.00 0.18 O ATOM 301 CB LEU A 24 9.638 -6.542 5.733 1.00 0.26 C ATOM 302 CG LEU A 24 9.570 -8.031 6.075 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.670 -8.868 4.808 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.672 -8.413 7.051 1.00 1.11 C ATOM 0 H LEU A 24 11.261 -5.149 7.001 1.00 0.20 H new ATOM 0 HA LEU A 24 11.515 -6.941 4.787 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.433 -5.968 6.637 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.844 -6.312 5.023 1.00 0.26 H new ATOM 0 HG LEU A 24 8.610 -8.229 6.552 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.620 -9.926 5.066 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.845 -8.618 4.141 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.616 -8.660 4.309 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.603 -9.477 7.279 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.643 -8.200 6.605 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.560 -7.837 7.970 1.00 1.11 H new ATOM 316 N GLY A 25 10.131 -3.978 4.257 1.00 0.14 N ATOM 317 CA GLY A 25 9.783 -3.033 3.206 1.00 0.12 C ATOM 318 C GLY A 25 10.961 -2.658 2.330 1.00 0.12 C ATOM 319 O GLY A 25 10.831 -2.565 1.110 1.00 0.16 O ATOM 0 H GLY A 25 9.884 -3.675 5.199 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.998 -3.463 2.584 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.373 -2.130 3.659 1.00 0.12 H new ATOM 323 N THR A 26 12.115 -2.478 2.950 1.00 0.13 N ATOM 324 CA THR A 26 13.314 -2.084 2.235 1.00 0.16 C ATOM 325 C THR A 26 13.805 -3.228 1.354 1.00 0.20 C ATOM 326 O THR A 26 14.194 -3.015 0.209 1.00 0.24 O ATOM 327 CB THR A 26 14.422 -1.646 3.218 1.00 0.18 C ATOM 328 OG1 THR A 26 13.949 -0.567 4.035 1.00 0.20 O ATOM 329 CG2 THR A 26 15.671 -1.190 2.487 1.00 0.23 C ATOM 0 H THR A 26 12.246 -2.600 3.954 1.00 0.13 H new ATOM 0 HA THR A 26 13.069 -1.233 1.599 1.00 0.16 H new ATOM 0 HB THR A 26 14.674 -2.510 3.833 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.291 -0.041 3.534 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.428 -0.890 3.212 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.056 -2.009 1.879 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.428 -0.344 1.845 1.00 0.23 H new ATOM 337 N LEU A 27 13.742 -4.442 1.884 1.00 0.21 N ATOM 338 CA LEU A 27 14.119 -5.627 1.129 1.00 0.28 C ATOM 339 C LEU A 27 13.127 -5.842 -0.014 1.00 0.29 C ATOM 340 O LEU A 27 13.507 -6.230 -1.122 1.00 0.34 O ATOM 341 CB LEU A 27 14.151 -6.847 2.069 1.00 0.33 C ATOM 342 CG LEU A 27 14.880 -8.103 1.558 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.072 -8.826 0.490 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.258 -7.742 1.027 1.00 1.00 C ATOM 0 H LEU A 27 13.432 -4.631 2.837 1.00 0.21 H new ATOM 0 HA LEU A 27 15.113 -5.495 0.702 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.618 -6.541 3.005 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.122 -7.123 2.301 1.00 0.33 H new ATOM 0 HG LEU A 27 14.995 -8.782 2.403 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.619 -9.707 0.154 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.112 -9.132 0.905 1.00 1.01 H new ATOM 0 HD13 LEU A 27 13.906 -8.158 -0.355 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.758 -8.643 0.670 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.157 -7.033 0.205 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.849 -7.291 1.824 1.00 1.00 H new ATOM 356 N LEU A 28 11.859 -5.548 0.255 1.00 0.27 N ATOM 357 CA LEU A 28 10.799 -5.762 -0.718 1.00 0.31 C ATOM 358 C LEU A 28 10.943 -4.806 -1.893 1.00 0.32 C ATOM 359 O LEU A 28 10.874 -5.216 -3.051 1.00 0.37 O ATOM 360 CB LEU A 28 9.415 -5.590 -0.079 1.00 0.31 C ATOM 361 CG LEU A 28 9.091 -6.529 1.090 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.591 -6.585 1.330 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.652 -7.919 0.846 1.00 0.37 C ATOM 0 H LEU A 28 11.542 -5.159 1.143 1.00 0.27 H new ATOM 0 HA LEU A 28 10.890 -6.786 -1.079 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.324 -4.562 0.271 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.660 -5.731 -0.852 1.00 0.31 H new ATOM 0 HG LEU A 28 9.567 -6.131 1.986 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.381 -7.256 2.163 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.223 -5.587 1.566 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.092 -6.953 0.433 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.407 -8.563 1.690 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.217 -8.332 -0.064 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.735 -7.860 0.736 1.00 0.37 H new ATOM 375 N LEU A 29 11.157 -3.530 -1.600 1.00 0.30 N ATOM 376 CA LEU A 29 11.288 -2.536 -2.653 1.00 0.32 C ATOM 377 C LEU A 29 12.633 -2.664 -3.347 1.00 0.36 C ATOM 378 O LEU A 29 12.791 -2.251 -4.492 1.00 0.41 O ATOM 379 CB LEU A 29 11.071 -1.119 -2.101 1.00 0.30 C ATOM 380 CG LEU A 29 12.058 -0.622 -1.037 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.371 -0.166 -1.658 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.433 0.515 -0.254 1.00 0.31 C ATOM 0 H LEU A 29 11.243 -3.163 -0.652 1.00 0.30 H new ATOM 0 HA LEU A 29 10.512 -2.719 -3.396 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.098 -0.422 -2.939 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.067 -1.071 -1.679 1.00 0.30 H new ATOM 0 HG LEU A 29 12.279 -1.453 -0.367 1.00 0.29 H new ATOM 0 HD11 LEU A 29 14.044 0.179 -0.873 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.831 -0.999 -2.190 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.180 0.649 -2.356 1.00 0.31 H new ATOM 0 HD21 LEU A 29 12.136 0.866 0.501 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.190 1.333 -0.932 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.523 0.164 0.233 1.00 0.31 H new ATOM 394 N ASP A 30 13.595 -3.238 -2.641 1.00 0.34 N ATOM 395 CA ASP A 30 14.900 -3.547 -3.214 1.00 0.39 C ATOM 396 C ASP A 30 14.738 -4.533 -4.359 1.00 0.43 C ATOM 397 O ASP A 30 15.417 -4.448 -5.380 1.00 0.49 O ATOM 398 CB ASP A 30 15.804 -4.141 -2.132 1.00 0.41 C ATOM 399 CG ASP A 30 17.207 -4.435 -2.617 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.487 -5.601 -2.970 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.026 -3.496 -2.672 1.00 0.63 O ATOM 0 H ASP A 30 13.496 -3.502 -1.661 1.00 0.34 H new ATOM 0 HA ASP A 30 15.354 -2.634 -3.598 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.855 -3.449 -1.292 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.356 -5.062 -1.759 1.00 0.41 H new ATOM 406 N GLU A 31 13.797 -5.449 -4.180 1.00 0.43 N ATOM 407 CA GLU A 31 13.492 -6.461 -5.166 1.00 0.49 C ATOM 408 C GLU A 31 12.737 -5.841 -6.333 1.00 0.51 C ATOM 409 O GLU A 31 12.834 -6.290 -7.474 1.00 0.62 O ATOM 410 CB GLU A 31 12.624 -7.533 -4.514 1.00 0.52 C ATOM 411 CG GLU A 31 12.722 -8.878 -5.185 1.00 0.97 C ATOM 412 CD GLU A 31 11.728 -9.880 -4.635 1.00 1.46 C ATOM 413 OE1 GLU A 31 10.585 -9.927 -5.136 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.083 -10.627 -3.699 1.00 2.07 O ATOM 0 H GLU A 31 13.223 -5.506 -3.339 1.00 0.43 H new ATOM 0 HA GLU A 31 14.418 -6.900 -5.538 1.00 0.49 H new ATOM 0 HB2 GLU A 31 12.913 -7.636 -3.468 1.00 0.52 H new ATOM 0 HB3 GLU A 31 11.585 -7.205 -4.527 1.00 0.52 H new ATOM 0 HG2 GLU A 31 12.556 -8.758 -6.256 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.732 -9.269 -5.061 1.00 0.97 H new ATOM 421 N LEU A 32 11.994 -4.796 -6.020 1.00 0.52 N ATOM 422 CA LEU A 32 11.089 -4.167 -6.964 1.00 0.58 C ATOM 423 C LEU A 32 11.746 -3.003 -7.704 1.00 0.61 C ATOM 424 O LEU A 32 11.243 -2.546 -8.732 1.00 0.71 O ATOM 425 CB LEU A 32 9.857 -3.685 -6.207 1.00 0.56 C ATOM 426 CG LEU A 32 8.946 -4.792 -5.674 1.00 0.57 C ATOM 427 CD1 LEU A 32 7.852 -4.200 -4.807 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.337 -5.586 -6.819 1.00 0.64 C ATOM 0 H LEU A 32 12.001 -4.357 -5.099 1.00 0.52 H new ATOM 0 HA LEU A 32 10.809 -4.902 -7.719 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.183 -3.070 -5.369 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.274 -3.042 -6.866 1.00 0.56 H new ATOM 0 HG LEU A 32 9.548 -5.469 -5.068 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.211 -4.999 -4.434 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.300 -3.672 -3.965 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.257 -3.503 -5.397 1.00 0.57 H new ATOM 0 HD21 LEU A 32 7.693 -6.368 -6.417 1.00 0.64 H new ATOM 0 HD22 LEU A 32 7.749 -4.920 -7.451 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.132 -6.039 -7.411 1.00 0.64 H new ATOM 440 N GLY A 33 12.861 -2.525 -7.169 1.00 0.57 N ATOM 441 CA GLY A 33 13.592 -1.440 -7.796 1.00 0.62 C ATOM 442 C GLY A 33 12.952 -0.086 -7.550 1.00 0.63 C ATOM 443 O GLY A 33 12.978 0.785 -8.420 1.00 0.75 O ATOM 0 H GLY A 33 13.276 -2.872 -6.304 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.614 -1.429 -7.417 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.652 -1.620 -8.869 1.00 0.62 H new ATOM 447 N ILE A 34 12.388 0.098 -6.363 1.00 0.54 N ATOM 448 CA ILE A 34 11.688 1.335 -6.032 1.00 0.58 C ATOM 449 C ILE A 34 12.622 2.307 -5.324 1.00 0.65 C ATOM 450 O ILE A 34 13.428 1.906 -4.487 1.00 0.68 O ATOM 451 CB ILE A 34 10.473 1.075 -5.116 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.665 -0.119 -5.624 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.591 2.314 -5.043 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.543 -0.529 -4.696 1.00 0.56 C ATOM 0 H ILE A 34 12.401 -0.593 -5.613 1.00 0.54 H new ATOM 0 HA ILE A 34 11.342 1.762 -6.973 1.00 0.58 H new ATOM 0 HB ILE A 34 10.839 0.846 -4.115 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.247 0.125 -6.601 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.335 -0.967 -5.767 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.738 2.116 -4.394 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.167 3.148 -4.641 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.235 2.567 -6.042 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.013 -1.382 -5.120 1.00 0.56 H new ATOM 0 HD12 ILE A 34 8.956 -0.805 -3.726 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.850 0.304 -4.572 1.00 0.56 H new ATOM 466 N VAL A 35 12.513 3.583 -5.666 1.00 0.77 N ATOM 467 CA VAL A 35 13.293 4.615 -5.004 1.00 0.89 C ATOM 468 C VAL A 35 12.362 5.655 -4.394 1.00 0.74 C ATOM 469 O VAL A 35 11.877 6.553 -5.086 1.00 0.90 O ATOM 470 CB VAL A 35 14.269 5.316 -5.968 1.00 1.24 C ATOM 471 CG1 VAL A 35 15.175 6.263 -5.198 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.089 4.300 -6.749 1.00 1.87 C ATOM 0 H VAL A 35 11.892 3.927 -6.398 1.00 0.77 H new ATOM 0 HA VAL A 35 13.880 4.127 -4.226 1.00 0.89 H new ATOM 0 HB VAL A 35 13.688 5.895 -6.685 1.00 1.24 H new ATOM 0 HG11 VAL A 35 15.861 6.753 -5.889 1.00 1.84 H new ATOM 0 HG12 VAL A 35 14.570 7.016 -4.693 1.00 1.84 H new ATOM 0 HG13 VAL A 35 15.745 5.700 -4.459 1.00 1.84 H new ATOM 0 HG21 VAL A 35 15.770 4.822 -7.422 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.664 3.686 -6.056 1.00 1.87 H new ATOM 0 HG23 VAL A 35 14.422 3.663 -7.330 1.00 1.87 H new ATOM 482 N LEU A 36 12.106 5.523 -3.105 1.00 0.70 N ATOM 483 CA LEU A 36 11.188 6.408 -2.412 1.00 0.66 C ATOM 484 C LEU A 36 11.876 7.697 -1.993 1.00 0.68 C ATOM 485 O LEU A 36 12.998 7.681 -1.483 1.00 0.84 O ATOM 486 CB LEU A 36 10.639 5.704 -1.178 1.00 0.86 C ATOM 487 CG LEU A 36 9.919 4.391 -1.455 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.816 3.579 -0.182 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.542 4.657 -2.032 1.00 2.76 C ATOM 0 H LEU A 36 12.525 4.805 -2.513 1.00 0.70 H new ATOM 0 HA LEU A 36 10.376 6.659 -3.094 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.463 5.512 -0.491 1.00 0.86 H new ATOM 0 HB3 LEU A 36 9.950 6.379 -0.669 1.00 0.86 H new ATOM 0 HG LEU A 36 10.492 3.821 -2.186 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.300 2.642 -0.389 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.816 3.367 0.196 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.258 4.143 0.565 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.039 3.709 -2.225 1.00 2.76 H new ATOM 0 HD22 LEU A 36 7.956 5.241 -1.322 1.00 2.76 H new ATOM 0 HD23 LEU A 36 8.639 5.213 -2.965 1.00 2.76 H new ATOM 501 N GLU A 37 11.195 8.812 -2.218 1.00 0.72 N ATOM 502 CA GLU A 37 11.668 10.111 -1.761 1.00 0.84 C ATOM 503 C GLU A 37 11.496 10.224 -0.252 1.00 0.76 C ATOM 504 O GLU A 37 12.197 10.986 0.416 1.00 0.88 O ATOM 505 CB GLU A 37 10.900 11.231 -2.463 1.00 1.02 C ATOM 506 CG GLU A 37 11.093 11.247 -3.969 1.00 1.42 C ATOM 507 CD GLU A 37 12.531 11.496 -4.361 1.00 2.06 C ATOM 508 OE1 GLU A 37 12.952 12.672 -4.371 1.00 2.65 O ATOM 509 OE2 GLU A 37 13.252 10.522 -4.656 1.00 2.58 O ATOM 0 H GLU A 37 10.307 8.842 -2.718 1.00 0.72 H new ATOM 0 HA GLU A 37 12.726 10.207 -2.006 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.838 11.126 -2.242 1.00 1.02 H new ATOM 0 HB3 GLU A 37 11.217 12.190 -2.054 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.765 10.294 -4.385 1.00 1.42 H new ATOM 0 HG3 GLU A 37 10.461 12.020 -4.406 1.00 1.42 H new ATOM 516 N ASP A 38 10.561 9.445 0.270 1.00 0.61 N ATOM 517 CA ASP A 38 10.288 9.397 1.689 1.00 0.54 C ATOM 518 C ASP A 38 10.107 7.941 2.084 1.00 0.41 C ATOM 519 O ASP A 38 9.002 7.407 2.024 1.00 0.39 O ATOM 520 CB ASP A 38 9.022 10.194 2.017 1.00 0.60 C ATOM 521 CG ASP A 38 8.832 10.408 3.505 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.109 11.528 3.984 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.400 9.467 4.202 1.00 2.29 O ATOM 0 H ASP A 38 9.970 8.827 -0.286 1.00 0.61 H new ATOM 0 HA ASP A 38 11.116 9.839 2.244 1.00 0.54 H new ATOM 0 HB2 ASP A 38 9.068 11.162 1.518 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.154 9.670 1.616 1.00 0.60 H new ATOM 528 N PRO A 39 11.200 7.263 2.457 1.00 0.41 N ATOM 529 CA PRO A 39 11.156 5.840 2.801 1.00 0.40 C ATOM 530 C PRO A 39 10.456 5.594 4.126 1.00 0.32 C ATOM 531 O PRO A 39 10.286 4.453 4.551 1.00 0.35 O ATOM 532 CB PRO A 39 12.633 5.451 2.890 1.00 0.57 C ATOM 533 CG PRO A 39 13.334 6.716 3.243 1.00 0.64 C ATOM 534 CD PRO A 39 12.563 7.818 2.570 1.00 0.57 C ATOM 0 HA PRO A 39 10.595 5.257 2.071 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.796 4.683 3.646 1.00 0.57 H new ATOM 0 HB3 PRO A 39 12.995 5.048 1.944 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.359 6.860 4.323 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.369 6.698 2.900 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.576 8.735 3.159 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.980 8.061 1.593 1.00 0.57 H new ATOM 542 N THR A 40 10.023 6.666 4.764 1.00 0.30 N ATOM 543 CA THR A 40 9.380 6.556 6.062 1.00 0.31 C ATOM 544 C THR A 40 7.865 6.466 5.922 1.00 0.28 C ATOM 545 O THR A 40 7.116 6.746 6.859 1.00 0.48 O ATOM 546 CB THR A 40 9.774 7.716 6.997 1.00 0.42 C ATOM 547 OG1 THR A 40 9.757 8.968 6.295 1.00 0.51 O ATOM 548 CG2 THR A 40 11.159 7.483 7.573 1.00 0.49 C ATOM 0 H THR A 40 10.104 7.618 4.408 1.00 0.30 H new ATOM 0 HA THR A 40 9.735 5.631 6.517 1.00 0.31 H new ATOM 0 HB THR A 40 9.045 7.754 7.807 1.00 0.42 H new ATOM 0 HG1 THR A 40 8.986 8.994 5.691 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.423 8.311 8.231 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.165 6.552 8.140 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.884 7.419 6.762 1.00 0.49 H new ATOM 556 N VAL A 41 7.423 6.079 4.735 1.00 0.20 N ATOM 557 CA VAL A 41 6.015 5.827 4.487 1.00 0.17 C ATOM 558 C VAL A 41 5.743 4.326 4.493 1.00 0.14 C ATOM 559 O VAL A 41 6.669 3.515 4.382 1.00 0.15 O ATOM 560 CB VAL A 41 5.553 6.416 3.136 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.775 7.919 3.098 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.260 5.738 1.972 1.00 0.23 C ATOM 0 H VAL A 41 8.025 5.932 3.925 1.00 0.20 H new ATOM 0 HA VAL A 41 5.454 6.315 5.284 1.00 0.17 H new ATOM 0 HB VAL A 41 4.484 6.226 3.037 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.442 8.312 2.137 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.207 8.391 3.899 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.835 8.134 3.230 1.00 0.24 H new ATOM 0 HG21 VAL A 41 5.915 6.173 1.034 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.336 5.883 2.065 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.036 4.671 1.982 1.00 0.23 H new ATOM 572 N LEU A 42 4.481 3.964 4.634 1.00 0.14 N ATOM 573 CA LEU A 42 4.079 2.569 4.579 1.00 0.14 C ATOM 574 C LEU A 42 3.827 2.159 3.141 1.00 0.12 C ATOM 575 O LEU A 42 2.999 2.759 2.452 1.00 0.15 O ATOM 576 CB LEU A 42 2.817 2.330 5.416 1.00 0.16 C ATOM 577 CG LEU A 42 2.986 2.490 6.929 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.648 2.330 7.634 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.987 1.477 7.462 1.00 0.22 C ATOM 0 H LEU A 42 3.714 4.618 4.788 1.00 0.14 H new ATOM 0 HA LEU A 42 4.886 1.964 4.992 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.044 3.021 5.080 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.454 1.322 5.214 1.00 0.16 H new ATOM 0 HG LEU A 42 3.366 3.492 7.128 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.787 2.447 8.709 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.954 3.089 7.273 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.243 1.340 7.426 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.095 1.605 8.539 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.632 0.468 7.250 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.952 1.631 6.980 1.00 0.22 H new ATOM 591 N ILE A 43 4.556 1.153 2.687 1.00 0.11 N ATOM 592 CA ILE A 43 4.354 0.617 1.358 1.00 0.10 C ATOM 593 C ILE A 43 3.611 -0.705 1.435 1.00 0.11 C ATOM 594 O ILE A 43 3.879 -1.539 2.303 1.00 0.15 O ATOM 595 CB ILE A 43 5.673 0.435 0.571 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.729 -0.292 1.408 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.195 1.786 0.103 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.977 -0.649 0.626 1.00 0.14 C ATOM 0 H ILE A 43 5.293 0.693 3.222 1.00 0.11 H new ATOM 0 HA ILE A 43 3.758 1.349 0.813 1.00 0.10 H new ATOM 0 HB ILE A 43 5.463 -0.184 -0.302 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.007 0.337 2.254 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.293 -1.203 1.818 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.124 1.646 -0.450 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.455 2.258 -0.544 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.380 2.424 0.967 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.682 -1.162 1.280 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.711 -1.303 -0.204 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.436 0.260 0.239 1.00 0.14 H new ATOM 610 N GLY A 44 2.664 -0.878 0.539 1.00 0.13 N ATOM 611 CA GLY A 44 1.843 -2.061 0.559 1.00 0.16 C ATOM 612 C GLY A 44 2.167 -3.017 -0.562 1.00 0.17 C ATOM 613 O GLY A 44 1.898 -2.731 -1.725 1.00 0.31 O ATOM 0 H GLY A 44 2.447 -0.217 -0.207 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.972 -2.571 1.514 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.794 -1.771 0.491 1.00 0.16 H new ATOM 617 N ASP A 45 2.752 -4.149 -0.217 1.00 0.18 N ATOM 618 CA ASP A 45 3.022 -5.193 -1.192 1.00 0.20 C ATOM 619 C ASP A 45 1.793 -6.073 -1.328 1.00 0.20 C ATOM 620 O ASP A 45 1.193 -6.465 -0.329 1.00 0.29 O ATOM 621 CB ASP A 45 4.229 -6.037 -0.774 1.00 0.32 C ATOM 622 CG ASP A 45 4.558 -7.124 -1.781 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.140 -6.809 -2.839 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.250 -8.302 -1.510 1.00 0.57 O ATOM 0 H ASP A 45 3.050 -4.371 0.733 1.00 0.18 H new ATOM 0 HA ASP A 45 3.255 -4.729 -2.151 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.096 -5.388 -0.649 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.030 -6.493 0.196 1.00 0.32 H new ATOM 629 N GLY A 46 1.393 -6.354 -2.552 1.00 0.18 N ATOM 630 CA GLY A 46 0.225 -7.181 -2.759 1.00 0.21 C ATOM 631 C GLY A 46 -1.057 -6.401 -2.558 1.00 0.18 C ATOM 632 O GLY A 46 -2.032 -6.919 -2.018 1.00 0.18 O ATOM 0 H GLY A 46 1.851 -6.028 -3.403 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.245 -7.594 -3.768 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.250 -8.025 -2.069 1.00 0.21 H new ATOM 636 N CYS A 47 -1.054 -5.154 -2.988 1.00 0.17 N ATOM 637 CA CYS A 47 -2.163 -4.258 -2.731 1.00 0.15 C ATOM 638 C CYS A 47 -3.015 -4.064 -3.970 1.00 0.19 C ATOM 639 O CYS A 47 -2.553 -3.543 -4.985 1.00 0.25 O ATOM 640 CB CYS A 47 -1.641 -2.911 -2.248 1.00 0.15 C ATOM 641 SG CYS A 47 -2.611 -2.184 -0.896 1.00 0.12 S ATOM 0 H CYS A 47 -0.290 -4.737 -3.520 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.786 -4.707 -1.958 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.609 -3.030 -1.918 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.629 -2.216 -3.087 1.00 0.15 H new ATOM 646 N ASP A 48 -4.257 -4.497 -3.876 1.00 0.19 N ATOM 647 CA ASP A 48 -5.222 -4.287 -4.941 1.00 0.24 C ATOM 648 C ASP A 48 -6.115 -3.113 -4.580 1.00 0.21 C ATOM 649 O ASP A 48 -6.623 -3.039 -3.462 1.00 0.19 O ATOM 650 CB ASP A 48 -6.089 -5.526 -5.168 1.00 0.30 C ATOM 651 CG ASP A 48 -5.289 -6.770 -5.486 1.00 1.50 C ATOM 652 OD1 ASP A 48 -5.111 -7.083 -6.684 1.00 2.21 O ATOM 653 OD2 ASP A 48 -4.823 -7.439 -4.541 1.00 2.02 O ATOM 0 H ASP A 48 -4.625 -5.000 -3.068 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.673 -4.084 -5.861 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.690 -5.708 -4.277 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.782 -5.330 -5.986 1.00 0.30 H new ATOM 658 N PRO A 49 -6.311 -2.178 -5.513 1.00 0.26 N ATOM 659 CA PRO A 49 -7.175 -1.019 -5.301 1.00 0.28 C ATOM 660 C PRO A 49 -8.621 -1.448 -5.095 1.00 0.31 C ATOM 661 O PRO A 49 -9.190 -2.141 -5.936 1.00 0.37 O ATOM 662 CB PRO A 49 -7.031 -0.197 -6.587 1.00 0.35 C ATOM 663 CG PRO A 49 -5.886 -0.788 -7.337 1.00 0.44 C ATOM 664 CD PRO A 49 -5.726 -2.198 -6.855 1.00 0.34 C ATOM 0 HA PRO A 49 -6.898 -0.454 -4.411 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -7.946 -0.238 -7.179 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -6.846 0.853 -6.359 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.076 -0.767 -8.410 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -4.975 -0.216 -7.163 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.242 -2.904 -7.506 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.678 -2.495 -6.830 1.00 0.34 H new ATOM 672 N ILE A 50 -9.211 -1.058 -3.973 1.00 0.30 N ATOM 673 CA ILE A 50 -10.560 -1.501 -3.649 1.00 0.36 C ATOM 674 C ILE A 50 -11.586 -0.664 -4.394 1.00 0.43 C ATOM 675 O ILE A 50 -12.054 0.362 -3.906 1.00 0.46 O ATOM 676 CB ILE A 50 -10.861 -1.435 -2.140 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.737 -2.079 -1.338 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.171 -2.148 -1.839 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.962 -2.028 0.157 1.00 0.31 C ATOM 0 H ILE A 50 -8.783 -0.444 -3.280 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.624 -2.544 -3.959 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.942 -0.387 -1.853 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.630 -3.119 -1.647 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.798 -1.578 -1.574 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.376 -2.096 -0.770 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -12.981 -1.667 -2.387 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.096 -3.192 -2.144 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.125 -2.504 0.667 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.040 -0.989 0.478 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.884 -2.554 0.404 1.00 0.31 H new ATOM 782 N CYS A 59 -11.875 -6.291 1.239 1.00 0.45 N ATOM 783 CA CYS A 59 -10.468 -6.560 1.488 1.00 0.54 C ATOM 784 C CYS A 59 -10.286 -7.915 2.159 1.00 0.55 C ATOM 785 O CYS A 59 -11.098 -8.324 2.993 1.00 0.74 O ATOM 786 CB CYS A 59 -9.868 -5.458 2.361 1.00 0.73 C ATOM 787 SG CYS A 59 -8.102 -5.696 2.747 1.00 0.74 S ATOM 0 HA CYS A 59 -9.949 -6.578 0.530 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.993 -4.500 1.856 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.429 -5.402 3.294 1.00 0.73 H new ATOM 792 N SER A 60 -9.226 -8.614 1.778 1.00 0.64 N ATOM 793 CA SER A 60 -8.932 -9.929 2.321 1.00 0.86 C ATOM 794 C SER A 60 -7.814 -9.871 3.362 1.00 0.71 C ATOM 795 O SER A 60 -7.884 -10.536 4.394 1.00 1.05 O ATOM 796 CB SER A 60 -8.548 -10.870 1.181 1.00 1.24 C ATOM 797 OG SER A 60 -7.623 -10.246 0.305 1.00 2.14 O ATOM 0 H SER A 60 -8.550 -8.286 1.088 1.00 0.64 H new ATOM 0 HA SER A 60 -9.824 -10.303 2.823 1.00 0.86 H new ATOM 0 HB2 SER A 60 -8.112 -11.783 1.587 1.00 1.24 H new ATOM 0 HB3 SER A 60 -9.441 -11.162 0.627 1.00 1.24 H new ATOM 0 HG SER A 60 -7.388 -10.865 -0.417 1.00 2.14 H new ATOM 803 N ALA A 61 -6.785 -9.074 3.095 1.00 0.38 N ATOM 804 CA ALA A 61 -5.639 -9.001 3.991 1.00 0.32 C ATOM 805 C ALA A 61 -5.696 -7.754 4.877 1.00 0.32 C ATOM 806 O ALA A 61 -6.206 -7.813 5.996 1.00 0.54 O ATOM 807 CB ALA A 61 -4.335 -9.060 3.204 1.00 0.38 C ATOM 0 H ALA A 61 -6.722 -8.474 2.272 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.677 -9.868 4.651 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.492 -9.004 3.892 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.288 -9.996 2.648 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.292 -8.222 2.508 1.00 0.38 H new ATOM 813 N THR A 62 -5.193 -6.629 4.383 1.00 0.22 N ATOM 814 CA THR A 62 -5.158 -5.400 5.171 1.00 0.19 C ATOM 815 C THR A 62 -5.680 -4.210 4.367 1.00 0.18 C ATOM 816 O THR A 62 -5.236 -3.967 3.247 1.00 0.20 O ATOM 817 CB THR A 62 -3.724 -5.093 5.648 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.163 -6.242 6.301 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.709 -3.909 6.606 1.00 0.24 C ATOM 0 H THR A 62 -4.805 -6.541 3.444 1.00 0.22 H new ATOM 0 HA THR A 62 -5.803 -5.556 6.036 1.00 0.19 H new ATOM 0 HB THR A 62 -3.126 -4.842 4.772 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.252 -6.037 6.598 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.686 -3.714 6.927 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.105 -3.028 6.102 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.325 -4.137 7.476 1.00 0.24 H new ATOM 827 N ALA A 63 -6.614 -3.469 4.944 1.00 0.19 N ATOM 828 CA ALA A 63 -7.175 -2.302 4.283 1.00 0.20 C ATOM 829 C ALA A 63 -6.318 -1.079 4.564 1.00 0.17 C ATOM 830 O ALA A 63 -5.967 -0.802 5.713 1.00 0.19 O ATOM 831 CB ALA A 63 -8.607 -2.068 4.739 1.00 0.25 C ATOM 0 H ALA A 63 -6.999 -3.656 5.870 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.185 -2.481 3.208 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.011 -1.191 4.234 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.214 -2.939 4.494 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.624 -1.906 5.817 1.00 0.25 H new ATOM 837 N VAL A 64 -5.971 -0.354 3.515 1.00 0.14 N ATOM 838 CA VAL A 64 -5.097 0.802 3.638 1.00 0.13 C ATOM 839 C VAL A 64 -5.513 1.916 2.690 1.00 0.14 C ATOM 840 O VAL A 64 -6.348 1.724 1.806 1.00 0.21 O ATOM 841 CB VAL A 64 -3.633 0.434 3.347 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.006 -0.298 4.524 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.557 -0.409 2.090 1.00 0.19 C ATOM 0 H VAL A 64 -6.283 -0.546 2.563 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.186 1.148 4.668 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.068 1.354 3.193 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.971 -0.545 4.289 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.035 0.341 5.407 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.562 -1.214 4.721 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.518 -0.667 1.888 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.138 -1.321 2.228 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.961 0.154 1.249 1.00 0.19 H new ATOM 853 N CYS A 65 -4.912 3.075 2.878 1.00 0.17 N ATOM 854 CA CYS A 65 -5.219 4.242 2.076 1.00 0.17 C ATOM 855 C CYS A 65 -3.931 4.964 1.698 1.00 0.13 C ATOM 856 O CYS A 65 -3.286 5.579 2.548 1.00 0.14 O ATOM 857 CB CYS A 65 -6.133 5.171 2.873 1.00 0.23 C ATOM 858 SG CYS A 65 -6.801 6.581 1.936 1.00 0.39 S ATOM 0 H CYS A 65 -4.199 3.233 3.590 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.726 3.936 1.161 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.966 4.588 3.266 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.579 5.553 3.730 1.00 0.23 H new ATOM 0 HG CYS A 65 -7.561 7.296 2.711 1.00 0.39 H new ATOM 863 N CYS A 66 -3.547 4.866 0.434 1.00 0.12 N ATOM 864 CA CYS A 66 -2.311 5.475 -0.041 1.00 0.13 C ATOM 865 C CYS A 66 -2.550 6.865 -0.608 1.00 0.16 C ATOM 866 O CYS A 66 -3.522 7.108 -1.328 1.00 0.23 O ATOM 867 CB CYS A 66 -1.641 4.585 -1.090 1.00 0.19 C ATOM 868 SG CYS A 66 -0.481 3.367 -0.399 1.00 0.65 S ATOM 0 H CYS A 66 -4.074 4.369 -0.284 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.646 5.575 0.817 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.413 4.058 -1.650 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.107 5.217 -1.800 1.00 0.19 H new ATOM 873 N SER A 67 -1.650 7.775 -0.265 1.00 0.24 N ATOM 874 CA SER A 67 -1.720 9.150 -0.728 1.00 0.29 C ATOM 875 C SER A 67 -1.023 9.308 -2.074 1.00 0.32 C ATOM 876 O SER A 67 -1.272 10.265 -2.808 1.00 0.41 O ATOM 877 CB SER A 67 -1.071 10.075 0.304 1.00 0.35 C ATOM 878 OG SER A 67 -1.158 11.434 -0.091 1.00 1.15 O ATOM 0 H SER A 67 -0.853 7.580 0.341 1.00 0.24 H new ATOM 0 HA SER A 67 -2.769 9.419 -0.852 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.559 9.944 1.270 1.00 0.35 H new ATOM 0 HB3 SER A 67 -0.025 9.799 0.435 1.00 0.35 H new ATOM 0 HG SER A 67 -0.736 12.000 0.589 1.00 1.15 H new ATOM 884 N ASP A 68 -0.154 8.366 -2.394 1.00 0.30 N ATOM 885 CA ASP A 68 0.618 8.433 -3.626 1.00 0.37 C ATOM 886 C ASP A 68 -0.027 7.553 -4.695 1.00 0.44 C ATOM 887 O ASP A 68 -0.824 6.670 -4.379 1.00 0.57 O ATOM 888 CB ASP A 68 2.063 8.006 -3.365 1.00 0.43 C ATOM 889 CG ASP A 68 2.979 8.322 -4.524 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.184 7.446 -5.379 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.502 9.454 -4.584 1.00 1.52 O ATOM 0 H ASP A 68 0.036 7.545 -1.819 1.00 0.30 H new ATOM 0 HA ASP A 68 0.627 9.461 -3.988 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.430 8.507 -2.469 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.091 6.935 -3.166 1.00 0.43 H new ATOM 896 N ASN A 69 0.302 7.805 -5.954 1.00 0.53 N ATOM 897 CA ASN A 69 -0.348 7.118 -7.065 1.00 0.63 C ATOM 898 C ASN A 69 0.645 6.305 -7.892 1.00 0.59 C ATOM 899 O ASN A 69 0.282 5.744 -8.927 1.00 0.64 O ATOM 900 CB ASN A 69 -1.059 8.131 -7.970 1.00 0.84 C ATOM 901 CG ASN A 69 -2.225 8.822 -7.286 1.00 1.67 C ATOM 902 OD1 ASN A 69 -3.369 8.368 -7.368 1.00 2.35 O ATOM 903 ND2 ASN A 69 -1.946 9.926 -6.607 1.00 2.49 N ATOM 0 H ASN A 69 1.014 8.479 -6.233 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.076 6.428 -6.638 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -0.341 8.882 -8.299 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.419 7.621 -8.864 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -2.691 10.432 -6.128 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -0.986 10.269 -6.563 1.00 2.49 H new ATOM 910 N ASN A 70 1.891 6.233 -7.444 1.00 0.59 N ATOM 911 CA ASN A 70 2.917 5.496 -8.178 1.00 0.64 C ATOM 912 C ASN A 70 2.880 4.017 -7.819 1.00 0.55 C ATOM 913 O ASN A 70 3.542 3.576 -6.882 1.00 0.86 O ATOM 914 CB ASN A 70 4.312 6.062 -7.892 1.00 0.83 C ATOM 915 CG ASN A 70 4.510 7.459 -8.446 1.00 1.50 C ATOM 916 OD1 ASN A 70 4.955 7.635 -9.580 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.192 8.465 -7.650 1.00 2.27 N ATOM 0 H ASN A 70 2.217 6.672 -6.583 1.00 0.59 H new ATOM 0 HA ASN A 70 2.706 5.608 -9.241 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.478 6.078 -6.815 1.00 0.83 H new ATOM 0 HB3 ASN A 70 5.062 5.398 -8.320 1.00 0.83 H new ATOM 0 HD21 ASN A 70 4.313 9.426 -7.970 1.00 2.27 H new ATOM 0 HD22 ASN A 70 3.826 8.280 -6.716 1.00 2.27 H new ATOM 924 N VAL A 71 2.091 3.256 -8.556 1.00 0.41 N ATOM 925 CA VAL A 71 1.983 1.833 -8.322 1.00 0.38 C ATOM 926 C VAL A 71 2.832 1.042 -9.312 1.00 0.33 C ATOM 927 O VAL A 71 2.776 1.270 -10.518 1.00 0.38 O ATOM 928 CB VAL A 71 0.517 1.369 -8.398 1.00 0.52 C ATOM 929 CG1 VAL A 71 -0.244 1.827 -7.165 1.00 1.10 C ATOM 930 CG2 VAL A 71 -0.157 1.886 -9.663 1.00 1.03 C ATOM 0 H VAL A 71 1.515 3.604 -9.323 1.00 0.41 H new ATOM 0 HA VAL A 71 2.358 1.641 -7.317 1.00 0.38 H new ATOM 0 HB VAL A 71 0.506 0.280 -8.433 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -1.279 1.492 -7.231 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.218 1.403 -6.274 1.00 1.10 H new ATOM 0 HG13 VAL A 71 -0.218 2.915 -7.104 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -1.191 1.543 -9.690 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -0.136 2.976 -9.667 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.373 1.510 -10.538 1.00 1.03 H new ATOM 940 N SER A 72 3.622 0.114 -8.790 1.00 0.32 N ATOM 941 CA SER A 72 4.488 -0.719 -9.616 1.00 0.37 C ATOM 942 C SER A 72 3.692 -1.866 -10.238 1.00 0.42 C ATOM 943 O SER A 72 4.227 -2.673 -10.995 1.00 0.55 O ATOM 944 CB SER A 72 5.641 -1.270 -8.770 1.00 0.45 C ATOM 945 OG SER A 72 6.666 -1.837 -9.574 1.00 1.41 O ATOM 0 H SER A 72 3.682 -0.083 -7.791 1.00 0.32 H new ATOM 0 HA SER A 72 4.898 -0.109 -10.421 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.059 -0.469 -8.161 1.00 0.45 H new ATOM 0 HB3 SER A 72 5.259 -2.026 -8.084 1.00 0.45 H new ATOM 0 HG SER A 72 6.264 -2.408 -10.261 1.00 1.41 H new ATOM 951 N GLY A 73 2.410 -1.924 -9.909 1.00 0.39 N ATOM 952 CA GLY A 73 1.542 -2.946 -10.452 1.00 0.48 C ATOM 953 C GLY A 73 0.797 -3.702 -9.381 1.00 0.41 C ATOM 954 O GLY A 73 -0.350 -4.095 -9.587 1.00 0.48 O ATOM 0 H GLY A 73 1.953 -1.274 -9.269 1.00 0.39 H new ATOM 0 HA2 GLY A 73 0.825 -2.485 -11.132 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.135 -3.646 -11.040 1.00 0.48 H new ATOM 958 N VAL A 74 1.425 -3.897 -8.227 1.00 0.31 N ATOM 959 CA VAL A 74 0.746 -4.539 -7.112 1.00 0.28 C ATOM 960 C VAL A 74 1.104 -3.891 -5.785 1.00 0.22 C ATOM 961 O VAL A 74 0.711 -4.370 -4.728 1.00 0.34 O ATOM 962 CB VAL A 74 1.055 -6.047 -7.023 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.777 -6.730 -8.348 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.483 -6.295 -6.569 1.00 0.38 C ATOM 0 H VAL A 74 2.390 -3.623 -8.042 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.319 -4.409 -7.306 1.00 0.28 H new ATOM 0 HB VAL A 74 0.394 -6.480 -6.272 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.002 -7.793 -8.263 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.273 -6.601 -8.611 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.402 -6.288 -9.124 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.667 -7.368 -6.517 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.175 -5.842 -7.280 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.634 -5.853 -5.584 1.00 0.38 H new ATOM 974 N ILE A 75 1.870 -2.823 -5.831 1.00 0.18 N ATOM 975 CA ILE A 75 2.251 -2.143 -4.600 1.00 0.17 C ATOM 976 C ILE A 75 1.408 -0.912 -4.347 1.00 0.16 C ATOM 977 O ILE A 75 0.564 -0.534 -5.158 1.00 0.20 O ATOM 978 CB ILE A 75 3.721 -1.704 -4.585 1.00 0.19 C ATOM 979 CG1 ILE A 75 3.984 -0.684 -5.681 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.624 -2.897 -4.745 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.219 0.156 -5.443 1.00 0.30 C ATOM 0 H ILE A 75 2.238 -2.408 -6.687 1.00 0.18 H new ATOM 0 HA ILE A 75 2.088 -2.884 -3.818 1.00 0.17 H new ATOM 0 HB ILE A 75 3.933 -1.236 -3.624 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.087 -1.205 -6.633 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.119 -0.027 -5.769 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.664 -2.570 -4.733 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.453 -3.595 -3.926 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.410 -3.391 -5.693 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.343 0.861 -6.265 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.111 0.705 -4.507 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.094 -0.492 -5.385 1.00 0.30 H new ATOM 993 N ALA A 76 1.668 -0.302 -3.210 1.00 0.15 N ATOM 994 CA ALA A 76 1.052 0.954 -2.831 1.00 0.16 C ATOM 995 C ALA A 76 2.049 1.786 -2.026 1.00 0.14 C ATOM 996 O ALA A 76 2.800 1.237 -1.221 1.00 0.15 O ATOM 997 CB ALA A 76 -0.208 0.689 -2.027 1.00 0.18 C ATOM 0 H ALA A 76 2.319 -0.667 -2.515 1.00 0.15 H new ATOM 0 HA ALA A 76 0.774 1.512 -3.725 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.666 1.637 -1.745 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.909 0.112 -2.630 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.045 0.127 -1.128 1.00 0.18 H new ATOM 1003 N ILE A 77 2.076 3.095 -2.255 1.00 0.15 N ATOM 1004 CA ILE A 77 3.032 3.968 -1.578 1.00 0.16 C ATOM 1005 C ILE A 77 2.322 5.053 -0.767 1.00 0.16 C ATOM 1006 O ILE A 77 1.463 5.769 -1.284 1.00 0.21 O ATOM 1007 CB ILE A 77 3.993 4.633 -2.591 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.759 3.565 -3.375 1.00 0.21 C ATOM 1009 CG2 ILE A 77 4.960 5.572 -1.877 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.673 4.126 -4.443 1.00 0.26 C ATOM 0 H ILE A 77 1.450 3.575 -2.902 1.00 0.15 H new ATOM 0 HA ILE A 77 3.608 3.341 -0.897 1.00 0.16 H new ATOM 0 HB ILE A 77 3.403 5.222 -3.293 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.352 2.972 -2.678 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.044 2.888 -3.842 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.628 6.030 -2.607 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.397 6.350 -1.361 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.547 5.008 -1.152 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.180 3.308 -4.954 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.085 4.695 -5.163 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.413 4.780 -3.982 1.00 0.26 H new ATOM 1022 N GLY A 78 2.677 5.157 0.510 1.00 0.16 N ATOM 1023 CA GLY A 78 2.102 6.180 1.366 1.00 0.17 C ATOM 1024 C GLY A 78 0.748 5.777 1.901 1.00 0.15 C ATOM 1025 O GLY A 78 -0.207 6.550 1.831 1.00 0.17 O ATOM 0 H GLY A 78 3.355 4.549 0.969 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.777 6.377 2.199 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.008 7.110 0.806 1.00 0.17 H new ATOM 1029 N CYS A 79 0.663 4.568 2.437 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.602 4.022 2.897 1.00 0.13 C ATOM 1031 C CYS A 79 -0.784 4.152 4.401 1.00 0.13 C ATOM 1032 O CYS A 79 0.159 3.991 5.174 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.705 2.555 2.496 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.570 2.282 0.918 1.00 0.65 S ATOM 0 H CYS A 79 1.461 3.945 2.564 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.394 4.602 2.423 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.299 2.136 2.426 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.224 2.009 3.283 1.00 0.15 H new ATOM 1039 N LEU A 80 -2.004 4.472 4.800 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.395 4.439 6.197 1.00 0.15 C ATOM 1041 C LEU A 80 -3.392 3.310 6.422 1.00 0.15 C ATOM 1042 O LEU A 80 -4.333 3.150 5.647 1.00 0.15 O ATOM 1043 CB LEU A 80 -3.014 5.768 6.621 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.088 6.981 6.509 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.837 8.258 6.850 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.881 6.812 7.419 1.00 0.26 C ATOM 0 H LEU A 80 -2.748 4.761 4.165 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.505 4.268 6.802 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.900 5.949 6.012 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.350 5.681 7.654 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.738 7.054 5.479 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.162 9.110 6.765 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.671 8.386 6.160 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.216 8.196 7.870 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.232 7.683 7.328 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.215 6.715 8.452 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.330 5.917 7.130 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.181 2.501 7.464 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.050 1.361 7.779 1.00 0.17 C ATOM 1060 C PRO A 81 -5.453 1.791 8.205 1.00 0.21 C ATOM 1061 O PRO A 81 -5.624 2.529 9.177 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.334 0.657 8.937 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.958 1.231 8.969 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.074 2.623 8.419 1.00 0.17 C ATOM 0 HA PRO A 81 -4.200 0.724 6.907 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.852 0.829 9.880 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.305 -0.421 8.782 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.565 1.245 9.986 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.272 0.632 8.371 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.292 3.350 9.201 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.153 2.944 7.933 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.450 1.318 7.474 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.834 1.638 7.742 1.00 0.30 C ATOM 1074 C VAL A 82 -8.637 0.361 7.930 1.00 0.39 C ATOM 1075 O VAL A 82 -8.188 -0.724 7.556 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.458 2.468 6.605 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.952 3.902 6.641 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.176 1.842 5.249 1.00 0.20 C ATOM 0 H VAL A 82 -6.316 0.698 6.675 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.861 2.234 8.654 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.537 2.478 6.757 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.407 4.469 5.828 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.218 4.358 7.595 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.868 3.908 6.526 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.629 2.450 4.466 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.099 1.789 5.090 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.597 0.837 5.217 1.00 0.20 H new