USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -6.39! C(o=-9.1!,f=-20!) USER MOD Set 1.2: A 24 GLN : amide:sc= -2.67 K(o=-9.1,f=-9.9!) USER MOD Single : A 10 HIS : no HD1:sc= -9.09! C(o=-9.1!,f=-13!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -7:sc= -0.734 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.67! C(o=-1.7!,f=-6.7!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 154:sc= -0.955 (180deg=-2.58!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 76:sc= 1.05 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 39 ASN : amide:sc= -0.761 K(o=-0.76,f=-12!) USER MOD Single : A 40 MET CE :methyl -112:sc= -3.53 (180deg=-10.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -156:sc= -1.14 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -104:sc= -4.6! USER MOD Single : A 59 MET CE :methyl 168:sc= -2.16! (180deg=-2.7!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.327 -1.915 -7.305 1.00 0.00 N ATOM 60 CA GLY A 7 -2.616 -0.731 -7.756 1.00 0.00 C ATOM 61 C GLY A 7 -1.481 -0.374 -6.794 1.00 0.00 C ATOM 62 O GLY A 7 -1.157 0.800 -6.620 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.212 -0.903 -8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.309 0.107 -7.833 1.00 0.00 H new ATOM 66 N LEU A 8 -0.908 -1.407 -6.195 1.00 0.00 N ATOM 67 CA LEU A 8 0.184 -1.217 -5.256 1.00 0.00 C ATOM 68 C LEU A 8 1.348 -2.132 -5.642 1.00 0.00 C ATOM 69 O LEU A 8 2.501 -1.702 -5.658 1.00 0.00 O ATOM 70 CB LEU A 8 -0.304 -1.416 -3.820 1.00 0.00 C ATOM 71 CG LEU A 8 -1.564 -0.642 -3.426 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.209 -1.244 -2.176 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.261 0.848 -3.254 1.00 0.00 C ATOM 0 H LEU A 8 -1.180 -2.379 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 8 0.554 -0.193 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.491 -2.479 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.500 -1.132 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.287 -0.732 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.102 -0.675 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.483 -2.281 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.502 -1.205 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.173 1.375 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.512 0.979 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.882 1.253 -4.192 1.00 0.00 H new ATOM 85 N ASP A 9 1.007 -3.376 -5.944 1.00 0.00 N ATOM 86 CA ASP A 9 2.009 -4.355 -6.328 1.00 0.00 C ATOM 87 C ASP A 9 2.927 -3.748 -7.391 1.00 0.00 C ATOM 88 O ASP A 9 4.072 -4.170 -7.542 1.00 0.00 O ATOM 89 CB ASP A 9 1.358 -5.605 -6.924 1.00 0.00 C ATOM 90 CG ASP A 9 0.258 -5.333 -7.952 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.870 -5.027 -7.509 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.570 -5.439 -9.158 1.00 0.00 O ATOM 0 H ASP A 9 0.050 -3.728 -5.930 1.00 0.00 H new ATOM 0 HA ASP A 9 2.570 -4.631 -5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.133 -6.211 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.938 -6.199 -6.113 1.00 0.00 H new ATOM 97 N HIS A 10 2.390 -2.766 -8.100 1.00 0.00 N ATOM 98 CA HIS A 10 3.146 -2.096 -9.145 1.00 0.00 C ATOM 99 C HIS A 10 3.948 -0.943 -8.538 1.00 0.00 C ATOM 100 O HIS A 10 5.065 -0.663 -8.972 1.00 0.00 O ATOM 101 CB HIS A 10 2.224 -1.646 -10.280 1.00 0.00 C ATOM 102 CG HIS A 10 1.209 -0.606 -9.870 1.00 0.00 C ATOM 103 ND1 HIS A 10 1.556 0.566 -9.221 1.00 0.00 N ATOM 104 CD2 HIS A 10 -0.146 -0.573 -10.024 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.453 1.265 -8.999 1.00 0.00 C ATOM 106 NE2 HIS A 10 -0.601 0.556 -9.497 1.00 0.00 N ATOM 0 H HIS A 10 1.440 -2.418 -7.971 1.00 0.00 H new ATOM 0 HA HIS A 10 3.857 -2.793 -9.589 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.832 -1.246 -11.091 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.699 -2.516 -10.674 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.747 -1.337 -10.495 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.398 2.226 -8.510 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -1.578 0.846 -9.469 1.00 0.00 H new ATOM 114 N ILE A 11 3.346 -0.304 -7.546 1.00 0.00 N ATOM 115 CA ILE A 11 3.990 0.813 -6.875 1.00 0.00 C ATOM 116 C ILE A 11 5.409 0.409 -6.469 1.00 0.00 C ATOM 117 O ILE A 11 5.681 -0.768 -6.238 1.00 0.00 O ATOM 118 CB ILE A 11 3.132 1.304 -5.708 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.831 1.934 -6.211 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.922 2.258 -4.810 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.083 2.629 -5.072 1.00 0.00 C ATOM 0 H ILE A 11 2.419 -0.538 -7.190 1.00 0.00 H new ATOM 0 HA ILE A 11 4.082 1.663 -7.552 1.00 0.00 H new ATOM 0 HB ILE A 11 2.858 0.442 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.052 2.654 -6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.197 1.165 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.289 2.592 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.794 1.742 -4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.247 3.121 -5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.162 3.068 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.842 1.901 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.711 3.414 -4.650 1.00 0.00 H new ATOM 133 N THR A 12 6.275 1.408 -6.392 1.00 0.00 N ATOM 134 CA THR A 12 7.659 1.172 -6.017 1.00 0.00 C ATOM 135 C THR A 12 7.981 1.875 -4.697 1.00 0.00 C ATOM 136 O THR A 12 7.569 3.013 -4.478 1.00 0.00 O ATOM 137 CB THR A 12 8.547 1.623 -7.178 1.00 0.00 C ATOM 138 OG1 THR A 12 7.796 1.286 -8.341 1.00 0.00 O ATOM 139 CG2 THR A 12 9.821 0.784 -7.301 1.00 0.00 C ATOM 0 H THR A 12 6.045 2.383 -6.583 1.00 0.00 H new ATOM 0 HA THR A 12 7.845 0.113 -5.839 1.00 0.00 H new ATOM 0 HB THR A 12 8.814 2.671 -7.044 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.298 1.546 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.415 1.146 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.402 0.868 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.555 -0.260 -7.468 1.00 0.00 H new ATOM 147 N VAL A 13 8.715 1.167 -3.851 1.00 0.00 N ATOM 148 CA VAL A 13 9.098 1.709 -2.558 1.00 0.00 C ATOM 149 C VAL A 13 10.594 2.030 -2.566 1.00 0.00 C ATOM 150 O VAL A 13 11.411 1.185 -2.928 1.00 0.00 O ATOM 151 CB VAL A 13 8.701 0.736 -1.445 1.00 0.00 C ATOM 152 CG1 VAL A 13 9.139 1.261 -0.076 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.196 0.459 -1.470 1.00 0.00 C ATOM 0 H VAL A 13 9.055 0.223 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 13 8.567 2.641 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 13 9.218 -0.207 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.845 0.551 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.222 1.384 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.663 2.223 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.940 -0.235 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.652 1.393 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.922 0.022 -2.430 1.00 0.00 H new ATOM 163 N VAL A 14 10.906 3.252 -2.163 1.00 0.00 N ATOM 164 CA VAL A 14 12.290 3.695 -2.120 1.00 0.00 C ATOM 165 C VAL A 14 12.955 3.152 -0.854 1.00 0.00 C ATOM 166 O VAL A 14 12.589 3.535 0.257 1.00 0.00 O ATOM 167 CB VAL A 14 12.354 5.220 -2.222 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.714 5.744 -1.755 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.046 5.688 -3.646 1.00 0.00 C ATOM 0 H VAL A 14 10.225 3.950 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 14 12.844 3.302 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 14 11.591 5.632 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.733 6.831 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.878 5.456 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.501 5.319 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.098 6.776 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.775 5.261 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.045 5.361 -3.928 1.00 0.00 H new ATOM 179 N THR A 15 13.920 2.269 -1.063 1.00 0.00 N ATOM 180 CA THR A 15 14.639 1.669 0.048 1.00 0.00 C ATOM 181 C THR A 15 15.878 2.500 0.392 1.00 0.00 C ATOM 182 O THR A 15 16.086 3.573 -0.172 1.00 0.00 O ATOM 183 CB THR A 15 14.963 0.221 -0.324 1.00 0.00 C ATOM 184 OG1 THR A 15 15.775 0.336 -1.490 1.00 0.00 O ATOM 185 CG2 THR A 15 13.731 -0.550 -0.803 1.00 0.00 C ATOM 0 H THR A 15 14.221 1.954 -1.985 1.00 0.00 H new ATOM 0 HA THR A 15 14.031 1.658 0.953 1.00 0.00 H new ATOM 0 HB THR A 15 15.397 -0.287 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.805 1.273 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.016 -1.572 -1.054 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.982 -0.567 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.316 -0.062 -1.685 1.00 0.00 H new ATOM 193 N ALA A 16 16.668 1.972 1.315 1.00 0.00 N ATOM 194 CA ALA A 16 17.880 2.651 1.740 1.00 0.00 C ATOM 195 C ALA A 16 18.545 3.305 0.528 1.00 0.00 C ATOM 196 O ALA A 16 18.469 4.521 0.355 1.00 0.00 O ATOM 197 CB ALA A 16 18.803 1.654 2.444 1.00 0.00 C ATOM 0 H ALA A 16 16.492 1.082 1.781 1.00 0.00 H new ATOM 0 HA ALA A 16 17.647 3.441 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.713 2.163 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.295 1.240 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 16 19.060 0.848 1.756 1.00 0.00 H new ATOM 203 N ASP A 17 19.181 2.470 -0.281 1.00 0.00 N ATOM 204 CA ASP A 17 19.859 2.952 -1.472 1.00 0.00 C ATOM 205 C ASP A 17 19.452 2.091 -2.669 1.00 0.00 C ATOM 206 O ASP A 17 20.307 1.566 -3.380 1.00 0.00 O ATOM 207 CB ASP A 17 21.378 2.859 -1.317 1.00 0.00 C ATOM 208 CG ASP A 17 21.922 3.339 0.030 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.249 4.198 0.640 1.00 0.00 O ATOM 210 OD2 ASP A 17 22.998 2.837 0.419 1.00 0.00 O ATOM 0 H ASP A 17 19.241 1.462 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 17 19.575 3.994 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 17 21.680 1.822 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 17 21.845 3.444 -2.109 1.00 0.00 H new ATOM 215 N GLY A 18 18.145 1.973 -2.855 1.00 0.00 N ATOM 216 CA GLY A 18 17.614 1.185 -3.954 1.00 0.00 C ATOM 217 C GLY A 18 16.094 1.326 -4.046 1.00 0.00 C ATOM 218 O GLY A 18 15.475 1.973 -3.202 1.00 0.00 O ATOM 0 H GLY A 18 17.439 2.410 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.070 1.507 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.878 0.137 -3.815 1.00 0.00 H new ATOM 222 N LYS A 19 15.535 0.712 -5.078 1.00 0.00 N ATOM 223 CA LYS A 19 14.099 0.761 -5.292 1.00 0.00 C ATOM 224 C LYS A 19 13.570 -0.659 -5.502 1.00 0.00 C ATOM 225 O LYS A 19 14.245 -1.494 -6.102 1.00 0.00 O ATOM 226 CB LYS A 19 13.760 1.720 -6.435 1.00 0.00 C ATOM 227 CG LYS A 19 12.625 2.667 -6.038 1.00 0.00 C ATOM 228 CD LYS A 19 12.046 3.373 -7.265 1.00 0.00 C ATOM 229 CE LYS A 19 12.124 4.893 -7.111 1.00 0.00 C ATOM 230 NZ LYS A 19 12.610 5.517 -8.362 1.00 0.00 N ATOM 0 H LYS A 19 16.052 0.177 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 19 13.596 1.161 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.644 2.298 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.471 1.151 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.839 2.106 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.995 3.407 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.592 3.066 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.008 3.071 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.141 5.290 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.792 5.147 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.657 6.549 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.557 5.152 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.958 5.290 -9.139 1.00 0.00 H new ATOM 244 N VAL A 20 12.366 -0.888 -4.998 1.00 0.00 N ATOM 245 CA VAL A 20 11.739 -2.193 -5.123 1.00 0.00 C ATOM 246 C VAL A 20 10.221 -2.018 -5.201 1.00 0.00 C ATOM 247 O VAL A 20 9.701 -0.940 -4.916 1.00 0.00 O ATOM 248 CB VAL A 20 12.179 -3.098 -3.971 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.700 -3.258 -3.950 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.663 -2.570 -2.631 1.00 0.00 C ATOM 0 H VAL A 20 11.808 -0.192 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 20 12.058 -2.684 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 20 11.742 -4.083 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.986 -3.906 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.032 -3.701 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.167 -2.281 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.990 -3.232 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.057 -1.568 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.574 -2.533 -2.650 1.00 0.00 H new ATOM 260 N ALA A 21 9.552 -3.095 -5.587 1.00 0.00 N ATOM 261 CA ALA A 21 8.104 -3.075 -5.705 1.00 0.00 C ATOM 262 C ALA A 21 7.481 -3.344 -4.334 1.00 0.00 C ATOM 263 O ALA A 21 8.075 -4.029 -3.502 1.00 0.00 O ATOM 264 CB ALA A 21 7.663 -4.094 -6.757 1.00 0.00 C ATOM 0 H ALA A 21 9.987 -3.987 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 21 7.759 -2.095 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.577 -4.079 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.109 -3.840 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.989 -5.090 -6.458 1.00 0.00 H new ATOM 270 N LEU A 22 6.292 -2.792 -4.141 1.00 0.00 N ATOM 271 CA LEU A 22 5.582 -2.965 -2.885 1.00 0.00 C ATOM 272 C LEU A 22 5.324 -4.455 -2.650 1.00 0.00 C ATOM 273 O LEU A 22 5.007 -4.865 -1.535 1.00 0.00 O ATOM 274 CB LEU A 22 4.313 -2.111 -2.865 1.00 0.00 C ATOM 275 CG LEU A 22 4.136 -1.199 -1.649 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.715 -0.636 -1.588 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.521 -1.927 -0.359 1.00 0.00 C ATOM 0 H LEU A 22 5.803 -2.225 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 22 6.190 -2.611 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.301 -1.493 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.451 -2.775 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 22 4.813 -0.351 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.616 0.009 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.513 -0.058 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.001 -1.457 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.386 -1.258 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.887 -2.805 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.564 -2.238 -0.414 1.00 0.00 H new ATOM 289 N ASN A 23 5.471 -5.223 -3.719 1.00 0.00 N ATOM 290 CA ASN A 23 5.258 -6.659 -3.644 1.00 0.00 C ATOM 291 C ASN A 23 6.605 -7.361 -3.458 1.00 0.00 C ATOM 292 O ASN A 23 6.773 -8.508 -3.869 1.00 0.00 O ATOM 293 CB ASN A 23 4.622 -7.190 -4.930 1.00 0.00 C ATOM 294 CG ASN A 23 5.549 -6.978 -6.128 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.715 -6.647 -5.993 1.00 0.00 O ATOM 296 ND2 ASN A 23 4.967 -7.186 -7.306 1.00 0.00 N ATOM 0 H ASN A 23 5.735 -4.879 -4.642 1.00 0.00 H new ATOM 0 HA ASN A 23 4.592 -6.857 -2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.402 -8.252 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.673 -6.684 -5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.502 -7.070 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.986 -7.462 -7.349 1.00 0.00 H new ATOM 303 N GLN A 24 7.530 -6.642 -2.838 1.00 0.00 N ATOM 304 CA GLN A 24 8.856 -7.182 -2.593 1.00 0.00 C ATOM 305 C GLN A 24 9.199 -7.091 -1.104 1.00 0.00 C ATOM 306 O GLN A 24 9.545 -8.094 -0.481 1.00 0.00 O ATOM 307 CB GLN A 24 9.906 -6.463 -3.442 1.00 0.00 C ATOM 308 CG GLN A 24 9.489 -6.425 -4.913 1.00 0.00 C ATOM 309 CD GLN A 24 9.345 -7.839 -5.479 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.657 -8.828 -4.836 1.00 0.00 O ATOM 311 NE2 GLN A 24 8.856 -7.880 -6.716 1.00 0.00 N ATOM 0 H GLN A 24 7.387 -5.691 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 24 8.859 -8.233 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.043 -5.447 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.866 -6.970 -3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.544 -5.891 -5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.230 -5.872 -5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.615 -7.014 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.722 -8.777 -7.182 1.00 0.00 H new ATOM 320 N ILE A 25 9.092 -5.880 -0.578 1.00 0.00 N ATOM 321 CA ILE A 25 9.386 -5.646 0.826 1.00 0.00 C ATOM 322 C ILE A 25 8.232 -6.174 1.680 1.00 0.00 C ATOM 323 O ILE A 25 8.457 -6.795 2.718 1.00 0.00 O ATOM 324 CB ILE A 25 9.704 -4.169 1.067 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.447 -3.308 0.929 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.829 -3.692 0.146 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.766 -1.830 1.162 1.00 0.00 C ATOM 0 H ILE A 25 8.806 -5.051 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 25 10.280 -6.194 1.125 1.00 0.00 H new ATOM 0 HB ILE A 25 10.059 -4.059 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.020 -3.439 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.695 -3.639 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.035 -2.639 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.728 -4.278 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.527 -3.819 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.855 -1.240 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.170 -1.699 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.500 -1.496 0.429 1.00 0.00 H new ATOM 339 N GLY A 26 7.022 -5.908 1.211 1.00 0.00 N ATOM 340 CA GLY A 26 5.832 -6.349 1.919 1.00 0.00 C ATOM 341 C GLY A 26 5.010 -7.314 1.062 1.00 0.00 C ATOM 342 O GLY A 26 5.091 -7.283 -0.165 1.00 0.00 O ATOM 0 H GLY A 26 6.840 -5.393 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.119 -6.838 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.223 -5.486 2.187 1.00 0.00 H new ATOM 346 N GLN A 27 4.239 -8.149 1.743 1.00 0.00 N ATOM 347 CA GLN A 27 3.403 -9.122 1.060 1.00 0.00 C ATOM 348 C GLN A 27 1.970 -8.598 0.938 1.00 0.00 C ATOM 349 O GLN A 27 1.258 -8.491 1.935 1.00 0.00 O ATOM 350 CB GLN A 27 3.434 -10.472 1.778 1.00 0.00 C ATOM 351 CG GLN A 27 4.134 -11.531 0.924 1.00 0.00 C ATOM 352 CD GLN A 27 3.354 -11.799 -0.365 1.00 0.00 C ATOM 353 OE1 GLN A 27 2.935 -10.893 -1.067 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.182 -13.090 -0.636 1.00 0.00 N ATOM 0 H GLN A 27 4.176 -8.172 2.761 1.00 0.00 H new ATOM 0 HA GLN A 27 3.801 -9.273 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.951 -10.369 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.416 -10.793 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.143 -11.198 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.232 -12.456 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.559 -13.798 -0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.673 -13.372 -1.474 1.00 0.00 H new ATOM 363 N ILE A 28 1.591 -8.287 -0.293 1.00 0.00 N ATOM 364 CA ILE A 28 0.256 -7.777 -0.558 1.00 0.00 C ATOM 365 C ILE A 28 -0.730 -8.946 -0.611 1.00 0.00 C ATOM 366 O ILE A 28 -0.540 -9.889 -1.378 1.00 0.00 O ATOM 367 CB ILE A 28 0.253 -6.912 -1.819 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.208 -5.726 -1.673 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.166 -6.465 -2.175 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.072 -5.559 -2.925 1.00 0.00 C ATOM 0 H ILE A 28 2.185 -8.378 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.069 -7.122 0.250 1.00 0.00 H new ATOM 0 HB ILE A 28 0.617 -7.518 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.637 -4.814 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.847 -5.875 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.139 -5.851 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.790 -7.341 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.582 -5.883 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.742 -4.709 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.660 -6.463 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.431 -5.386 -3.789 1.00 0.00 H new ATOM 382 N SER A 29 -1.762 -8.846 0.214 1.00 0.00 N ATOM 383 CA SER A 29 -2.778 -9.883 0.270 1.00 0.00 C ATOM 384 C SER A 29 -4.136 -9.267 0.613 1.00 0.00 C ATOM 385 O SER A 29 -4.381 -8.895 1.760 1.00 0.00 O ATOM 386 CB SER A 29 -2.410 -10.960 1.293 1.00 0.00 C ATOM 387 OG SER A 29 -3.167 -12.153 1.108 1.00 0.00 O ATOM 0 H SER A 29 -1.916 -8.063 0.849 1.00 0.00 H new ATOM 0 HA SER A 29 -2.838 -10.356 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.347 -11.189 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.578 -10.577 2.299 1.00 0.00 H new ATOM 0 HG SER A 29 -2.902 -12.816 1.779 1.00 0.00 H new ATOM 393 N MET A 30 -4.983 -9.179 -0.402 1.00 0.00 N ATOM 394 CA MET A 30 -6.310 -8.615 -0.222 1.00 0.00 C ATOM 395 C MET A 30 -7.190 -9.540 0.621 1.00 0.00 C ATOM 396 O MET A 30 -7.927 -10.364 0.081 1.00 0.00 O ATOM 397 CB MET A 30 -6.961 -8.395 -1.589 1.00 0.00 C ATOM 398 CG MET A 30 -7.168 -6.905 -1.865 1.00 0.00 C ATOM 399 SD MET A 30 -8.819 -6.622 -2.482 1.00 0.00 S ATOM 400 CE MET A 30 -9.226 -5.123 -1.601 1.00 0.00 C ATOM 0 H MET A 30 -4.776 -9.489 -1.352 1.00 0.00 H new ATOM 0 HA MET A 30 -6.212 -7.664 0.301 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.334 -8.829 -2.368 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.920 -8.912 -1.626 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.009 -6.332 -0.951 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.434 -6.556 -2.592 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.971 -4.561 -2.164 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.628 -5.375 -0.620 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.328 -4.517 -1.480 1.00 0.00 H new ATOM 410 N LYS A 31 -7.083 -9.374 1.931 1.00 0.00 N ATOM 411 CA LYS A 31 -7.860 -10.184 2.854 1.00 0.00 C ATOM 412 C LYS A 31 -9.201 -9.498 3.124 1.00 0.00 C ATOM 413 O LYS A 31 -10.192 -10.162 3.424 1.00 0.00 O ATOM 414 CB LYS A 31 -7.053 -10.476 4.120 1.00 0.00 C ATOM 415 CG LYS A 31 -7.912 -11.193 5.164 1.00 0.00 C ATOM 416 CD LYS A 31 -7.861 -12.710 4.968 1.00 0.00 C ATOM 417 CE LYS A 31 -6.496 -13.270 5.374 1.00 0.00 C ATOM 418 NZ LYS A 31 -5.975 -14.175 4.326 1.00 0.00 N ATOM 0 H LYS A 31 -6.470 -8.691 2.375 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.082 -11.156 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.188 -11.091 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.672 -9.543 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.561 -10.940 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.943 -10.848 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.643 -13.183 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.062 -12.952 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.795 -12.452 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.583 -13.809 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.048 -14.546 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.637 -14.965 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.873 -13.651 3.434 1.00 0.00 H new ATOM 432 N SER A 32 -9.189 -8.178 3.007 1.00 0.00 N ATOM 433 CA SER A 32 -10.391 -7.396 3.234 1.00 0.00 C ATOM 434 C SER A 32 -11.104 -7.133 1.906 1.00 0.00 C ATOM 435 O SER A 32 -10.626 -7.544 0.850 1.00 0.00 O ATOM 436 CB SER A 32 -10.064 -6.074 3.931 1.00 0.00 C ATOM 437 OG SER A 32 -8.693 -5.995 4.310 1.00 0.00 O ATOM 0 H SER A 32 -8.365 -7.631 2.758 1.00 0.00 H new ATOM 0 HA SER A 32 -11.052 -7.967 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.305 -5.244 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.691 -5.966 4.816 1.00 0.00 H new ATOM 0 HG SER A 32 -8.145 -5.806 3.520 1.00 0.00 H new ATOM 443 N PRO A 33 -12.265 -6.432 2.006 1.00 0.00 N ATOM 444 CA PRO A 33 -13.048 -6.110 0.825 1.00 0.00 C ATOM 445 C PRO A 33 -12.395 -4.981 0.025 1.00 0.00 C ATOM 446 O PRO A 33 -12.110 -5.141 -1.161 1.00 0.00 O ATOM 447 CB PRO A 33 -14.425 -5.744 1.354 1.00 0.00 C ATOM 448 CG PRO A 33 -14.234 -5.424 2.828 1.00 0.00 C ATOM 449 CD PRO A 33 -12.861 -5.930 3.240 1.00 0.00 C ATOM 0 HA PRO A 33 -13.114 -6.942 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.834 -4.887 0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.126 -6.568 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.312 -4.350 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.011 -5.900 3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.259 -5.132 3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.938 -6.716 3.991 1.00 0.00 H new ATOM 457 N GLN A 34 -12.178 -3.866 0.706 1.00 0.00 N ATOM 458 CA GLN A 34 -11.564 -2.711 0.073 1.00 0.00 C ATOM 459 C GLN A 34 -10.405 -2.191 0.928 1.00 0.00 C ATOM 460 O GLN A 34 -10.246 -0.983 1.095 1.00 0.00 O ATOM 461 CB GLN A 34 -12.596 -1.610 -0.178 1.00 0.00 C ATOM 462 CG GLN A 34 -13.268 -1.790 -1.541 1.00 0.00 C ATOM 463 CD GLN A 34 -14.659 -1.154 -1.554 1.00 0.00 C ATOM 464 OE1 GLN A 34 -14.936 -0.189 -0.860 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.517 -1.746 -2.380 1.00 0.00 N ATOM 0 H GLN A 34 -12.416 -3.737 1.689 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.167 -3.019 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.350 -1.627 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.111 -0.635 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.650 -1.339 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.347 -2.852 -1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.220 -2.550 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.472 -1.396 -2.461 1.00 0.00 H new ATOM 474 N VAL A 35 -9.626 -3.130 1.445 1.00 0.00 N ATOM 475 CA VAL A 35 -8.488 -2.782 2.278 1.00 0.00 C ATOM 476 C VAL A 35 -7.367 -3.800 2.054 1.00 0.00 C ATOM 477 O VAL A 35 -7.471 -4.947 2.485 1.00 0.00 O ATOM 478 CB VAL A 35 -8.921 -2.683 3.742 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.716 -2.795 4.679 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.696 -1.389 3.998 1.00 0.00 C ATOM 0 H VAL A 35 -9.761 -4.131 1.303 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.098 -1.802 2.001 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.587 -3.520 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.051 -2.722 5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.223 -3.755 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.014 -1.988 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.992 -1.344 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.063 -0.533 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.586 -1.367 3.368 1.00 0.00 H new ATOM 490 N ILE A 36 -6.323 -3.343 1.379 1.00 0.00 N ATOM 491 CA ILE A 36 -5.184 -4.199 1.092 1.00 0.00 C ATOM 492 C ILE A 36 -4.283 -4.272 2.326 1.00 0.00 C ATOM 493 O ILE A 36 -4.118 -3.283 3.038 1.00 0.00 O ATOM 494 CB ILE A 36 -4.462 -3.725 -0.170 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.310 -3.983 -1.418 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.074 -4.360 -0.279 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.550 -2.688 -2.195 1.00 0.00 C ATOM 0 H ILE A 36 -6.242 -2.391 1.022 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.515 -5.215 0.878 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.318 -2.647 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.809 -4.708 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.266 -4.420 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.582 -4.006 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.477 -4.082 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.172 -5.445 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.155 -2.900 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.073 -1.974 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.593 -2.266 -2.504 1.00 0.00 H new ATOM 509 N LEU A 37 -3.723 -5.454 2.541 1.00 0.00 N ATOM 510 CA LEU A 37 -2.842 -5.669 3.676 1.00 0.00 C ATOM 511 C LEU A 37 -1.441 -6.019 3.171 1.00 0.00 C ATOM 512 O LEU A 37 -1.281 -6.920 2.349 1.00 0.00 O ATOM 513 CB LEU A 37 -3.434 -6.715 4.623 1.00 0.00 C ATOM 514 CG LEU A 37 -4.615 -6.254 5.478 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.244 -7.432 6.225 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.199 -5.130 6.428 1.00 0.00 C ATOM 0 H LEU A 37 -3.863 -6.272 1.948 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.749 -4.756 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.753 -7.573 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.644 -7.063 5.288 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.379 -5.848 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.081 -7.077 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.600 -8.170 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.499 -7.890 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.058 -4.821 7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.408 -5.486 7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.834 -4.281 5.850 1.00 0.00 H new ATOM 528 N VAL A 38 -0.462 -5.287 3.683 1.00 0.00 N ATOM 529 CA VAL A 38 0.920 -5.509 3.293 1.00 0.00 C ATOM 530 C VAL A 38 1.738 -5.891 4.528 1.00 0.00 C ATOM 531 O VAL A 38 2.054 -5.037 5.356 1.00 0.00 O ATOM 532 CB VAL A 38 1.465 -4.275 2.573 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.967 -4.411 2.312 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.704 -4.019 1.271 1.00 0.00 C ATOM 0 H VAL A 38 -0.599 -4.540 4.364 1.00 0.00 H new ATOM 0 HA VAL A 38 0.990 -6.337 2.588 1.00 0.00 H new ATOM 0 HB VAL A 38 1.314 -3.414 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.329 -3.520 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.492 -4.522 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.150 -5.287 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.112 -3.136 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.808 -4.882 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.351 -3.857 1.492 1.00 0.00 H new ATOM 544 N ASN A 39 2.059 -7.174 4.614 1.00 0.00 N ATOM 545 CA ASN A 39 2.835 -7.678 5.734 1.00 0.00 C ATOM 546 C ASN A 39 4.309 -7.327 5.527 1.00 0.00 C ATOM 547 O ASN A 39 4.911 -7.718 4.528 1.00 0.00 O ATOM 548 CB ASN A 39 2.722 -9.200 5.840 1.00 0.00 C ATOM 549 CG ASN A 39 3.351 -9.707 7.140 1.00 0.00 C ATOM 550 OD1 ASN A 39 4.213 -9.077 7.730 1.00 0.00 O ATOM 551 ND2 ASN A 39 2.873 -10.878 7.551 1.00 0.00 N ATOM 0 H ASN A 39 1.796 -7.879 3.926 1.00 0.00 H new ATOM 0 HA ASN A 39 2.448 -7.222 6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.673 -9.494 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.216 -9.665 4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.228 -11.301 8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.151 -11.353 7.009 1.00 0.00 H new ATOM 558 N MET A 40 4.850 -6.591 6.488 1.00 0.00 N ATOM 559 CA MET A 40 6.242 -6.182 6.424 1.00 0.00 C ATOM 560 C MET A 40 7.061 -6.849 7.531 1.00 0.00 C ATOM 561 O MET A 40 7.843 -6.188 8.214 1.00 0.00 O ATOM 562 CB MET A 40 6.335 -4.662 6.565 1.00 0.00 C ATOM 563 CG MET A 40 5.496 -3.960 5.495 1.00 0.00 C ATOM 564 SD MET A 40 6.387 -3.921 3.949 1.00 0.00 S ATOM 565 CE MET A 40 7.770 -2.893 4.413 1.00 0.00 C ATOM 0 H MET A 40 4.348 -6.268 7.315 1.00 0.00 H new ATOM 0 HA MET A 40 6.648 -6.492 5.461 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.992 -4.363 7.555 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.375 -4.348 6.480 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.548 -4.481 5.365 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.260 -2.945 5.814 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.706 -1.939 3.890 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.749 -2.719 5.489 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.701 -3.392 4.144 1.00 0.00 H new ATOM 575 N ALA A 41 6.853 -8.149 7.676 1.00 0.00 N ATOM 576 CA ALA A 41 7.562 -8.912 8.689 1.00 0.00 C ATOM 577 C ALA A 41 9.015 -9.107 8.251 1.00 0.00 C ATOM 578 O ALA A 41 9.897 -9.304 9.085 1.00 0.00 O ATOM 579 CB ALA A 41 6.841 -10.241 8.925 1.00 0.00 C ATOM 0 H ALA A 41 6.203 -8.694 7.109 1.00 0.00 H new ATOM 0 HA ALA A 41 7.573 -8.374 9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.373 -10.814 9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.823 -10.048 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.813 -10.810 7.996 1.00 0.00 H new ATOM 585 N SER A 42 9.218 -9.046 6.943 1.00 0.00 N ATOM 586 CA SER A 42 10.549 -9.214 6.384 1.00 0.00 C ATOM 587 C SER A 42 11.182 -7.846 6.121 1.00 0.00 C ATOM 588 O SER A 42 12.288 -7.762 5.590 1.00 0.00 O ATOM 589 CB SER A 42 10.505 -10.035 5.094 1.00 0.00 C ATOM 590 OG SER A 42 11.547 -11.005 5.042 1.00 0.00 O ATOM 0 H SER A 42 8.483 -8.883 6.254 1.00 0.00 H new ATOM 0 HA SER A 42 11.158 -9.756 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.540 -10.535 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.588 -9.367 4.236 1.00 0.00 H new ATOM 0 HG SER A 42 11.483 -11.509 4.204 1.00 0.00 H new ATOM 596 N PHE A 43 10.453 -6.808 6.505 1.00 0.00 N ATOM 597 CA PHE A 43 10.929 -5.448 6.317 1.00 0.00 C ATOM 598 C PHE A 43 10.163 -4.471 7.210 1.00 0.00 C ATOM 599 O PHE A 43 9.431 -3.615 6.716 1.00 0.00 O ATOM 600 CB PHE A 43 10.680 -5.085 4.852 1.00 0.00 C ATOM 601 CG PHE A 43 11.610 -5.796 3.867 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.264 -7.010 3.360 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.783 -5.215 3.499 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.127 -7.670 2.446 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.647 -5.875 2.585 1.00 0.00 C ATOM 606 CZ PHE A 43 13.300 -7.088 2.078 1.00 0.00 C ATOM 0 H PHE A 43 9.536 -6.882 6.946 1.00 0.00 H new ATOM 0 HA PHE A 43 11.985 -5.384 6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.647 -5.326 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.795 -4.008 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.333 -7.472 3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.058 -4.251 3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.852 -8.634 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.579 -5.414 2.293 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.956 -7.590 1.382 1.00 0.00 H new ATOM 616 N PRO A 44 10.363 -4.635 8.546 1.00 0.00 N ATOM 617 CA PRO A 44 9.699 -3.777 9.513 1.00 0.00 C ATOM 618 C PRO A 44 10.346 -2.391 9.551 1.00 0.00 C ATOM 619 O PRO A 44 9.755 -1.440 10.060 1.00 0.00 O ATOM 620 CB PRO A 44 9.805 -4.519 10.835 1.00 0.00 C ATOM 621 CG PRO A 44 10.921 -5.535 10.654 1.00 0.00 C ATOM 622 CD PRO A 44 11.222 -5.638 9.168 1.00 0.00 C ATOM 0 HA PRO A 44 8.656 -3.587 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.030 -3.833 11.651 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.865 -5.012 11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.811 -5.226 11.203 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.622 -6.505 11.051 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.274 -5.441 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.005 -6.636 8.788 1.00 0.00 H new ATOM 630 N GLU A 45 11.552 -2.321 9.006 1.00 0.00 N ATOM 631 CA GLU A 45 12.286 -1.067 8.972 1.00 0.00 C ATOM 632 C GLU A 45 11.947 -0.289 7.699 1.00 0.00 C ATOM 633 O GLU A 45 12.230 0.905 7.603 1.00 0.00 O ATOM 634 CB GLU A 45 13.792 -1.310 9.081 1.00 0.00 C ATOM 635 CG GLU A 45 14.330 -1.995 7.823 1.00 0.00 C ATOM 636 CD GLU A 45 14.983 -3.336 8.165 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.506 -3.440 9.295 1.00 0.00 O ATOM 638 OE2 GLU A 45 14.944 -4.227 7.289 1.00 0.00 O ATOM 0 H GLU A 45 12.039 -3.112 8.585 1.00 0.00 H new ATOM 0 HA GLU A 45 11.985 -0.469 9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.307 -0.361 9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.002 -1.928 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.517 -2.153 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.057 -1.347 7.334 1.00 0.00 H new ATOM 645 N CYS A 46 11.346 -0.996 6.753 1.00 0.00 N ATOM 646 CA CYS A 46 10.966 -0.386 5.490 1.00 0.00 C ATOM 647 C CYS A 46 9.447 -0.205 5.482 1.00 0.00 C ATOM 648 O CYS A 46 8.853 0.047 4.435 1.00 0.00 O ATOM 649 CB CYS A 46 11.449 -1.211 4.296 1.00 0.00 C ATOM 650 SG CYS A 46 12.897 -0.403 3.521 1.00 0.00 S ATOM 0 H CYS A 46 11.113 -1.986 6.836 1.00 0.00 H new ATOM 0 HA CYS A 46 11.447 0.587 5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.715 -2.217 4.622 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.646 -1.314 3.566 1.00 0.00 H new ATOM 0 HG CYS A 46 13.300 -1.113 2.510 1.00 0.00 H new ATOM 656 N THR A 47 8.860 -0.341 6.663 1.00 0.00 N ATOM 657 CA THR A 47 7.422 -0.196 6.805 1.00 0.00 C ATOM 658 C THR A 47 6.975 1.185 6.321 1.00 0.00 C ATOM 659 O THR A 47 6.106 1.293 5.457 1.00 0.00 O ATOM 660 CB THR A 47 7.060 -0.475 8.265 1.00 0.00 C ATOM 661 OG1 THR A 47 7.575 -1.781 8.507 1.00 0.00 O ATOM 662 CG2 THR A 47 5.552 -0.623 8.477 1.00 0.00 C ATOM 0 H THR A 47 9.355 -0.550 7.530 1.00 0.00 H new ATOM 0 HA THR A 47 6.889 -0.913 6.181 1.00 0.00 H new ATOM 0 HB THR A 47 7.437 0.333 8.893 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.085 -2.194 9.248 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.350 -0.820 9.530 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.050 0.297 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.180 -1.452 7.875 1.00 0.00 H new ATOM 670 N ALA A 48 7.589 2.207 6.899 1.00 0.00 N ATOM 671 CA ALA A 48 7.265 3.576 6.538 1.00 0.00 C ATOM 672 C ALA A 48 7.474 3.766 5.034 1.00 0.00 C ATOM 673 O ALA A 48 6.600 4.287 4.343 1.00 0.00 O ATOM 674 CB ALA A 48 8.114 4.539 7.371 1.00 0.00 C ATOM 0 H ALA A 48 8.309 2.114 7.615 1.00 0.00 H new ATOM 0 HA ALA A 48 6.219 3.792 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.871 5.566 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.906 4.384 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.170 4.353 7.177 1.00 0.00 H new ATOM 680 N ALA A 49 8.637 3.332 4.572 1.00 0.00 N ATOM 681 CA ALA A 49 8.972 3.447 3.163 1.00 0.00 C ATOM 682 C ALA A 49 7.735 3.128 2.321 1.00 0.00 C ATOM 683 O ALA A 49 7.316 3.937 1.495 1.00 0.00 O ATOM 684 CB ALA A 49 10.150 2.525 2.841 1.00 0.00 C ATOM 0 H ALA A 49 9.359 2.900 5.148 1.00 0.00 H new ATOM 0 HA ALA A 49 9.280 4.465 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.401 2.611 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.012 2.812 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.877 1.494 3.066 1.00 0.00 H new ATOM 690 N ALA A 50 7.185 1.946 2.560 1.00 0.00 N ATOM 691 CA ALA A 50 6.004 1.510 1.834 1.00 0.00 C ATOM 692 C ALA A 50 4.920 2.585 1.940 1.00 0.00 C ATOM 693 O ALA A 50 4.543 3.192 0.939 1.00 0.00 O ATOM 694 CB ALA A 50 5.540 0.158 2.379 1.00 0.00 C ATOM 0 H ALA A 50 7.535 1.277 3.246 1.00 0.00 H new ATOM 0 HA ALA A 50 6.231 1.374 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.654 -0.169 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.335 -0.577 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.300 0.256 3.438 1.00 0.00 H new ATOM 700 N ILE A 51 4.449 2.786 3.162 1.00 0.00 N ATOM 701 CA ILE A 51 3.416 3.777 3.412 1.00 0.00 C ATOM 702 C ILE A 51 3.670 5.005 2.536 1.00 0.00 C ATOM 703 O ILE A 51 2.782 5.449 1.810 1.00 0.00 O ATOM 704 CB ILE A 51 3.328 4.095 4.906 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.582 2.991 5.658 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.701 5.471 5.138 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.333 2.590 6.930 1.00 0.00 C ATOM 0 H ILE A 51 4.764 2.280 3.990 1.00 0.00 H new ATOM 0 HA ILE A 51 2.438 3.385 3.135 1.00 0.00 H new ATOM 0 HB ILE A 51 4.341 4.131 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.580 3.335 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.464 2.121 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.650 5.672 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.310 6.235 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.695 5.488 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.781 1.804 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.325 2.224 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.428 3.456 7.585 1.00 0.00 H new ATOM 719 N LYS A 52 4.888 5.519 2.632 1.00 0.00 N ATOM 720 CA LYS A 52 5.270 6.688 1.858 1.00 0.00 C ATOM 721 C LYS A 52 4.939 6.448 0.383 1.00 0.00 C ATOM 722 O LYS A 52 4.089 7.131 -0.185 1.00 0.00 O ATOM 723 CB LYS A 52 6.738 7.040 2.109 1.00 0.00 C ATOM 724 CG LYS A 52 6.869 8.436 2.722 1.00 0.00 C ATOM 725 CD LYS A 52 7.963 8.464 3.791 1.00 0.00 C ATOM 726 CE LYS A 52 7.477 9.181 5.053 1.00 0.00 C ATOM 727 NZ LYS A 52 8.330 8.827 6.210 1.00 0.00 N ATOM 0 H LYS A 52 5.623 5.147 3.234 1.00 0.00 H new ATOM 0 HA LYS A 52 4.698 7.559 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.184 6.302 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.292 6.997 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.100 9.160 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.918 8.735 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.261 7.445 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.847 8.968 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.496 10.259 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.442 8.907 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.987 9.322 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.291 7.800 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.312 9.111 6.017 1.00 0.00 H new ATOM 741 N ALA A 53 5.628 5.474 -0.194 1.00 0.00 N ATOM 742 CA ALA A 53 5.417 5.135 -1.591 1.00 0.00 C ATOM 743 C ALA A 53 3.961 5.418 -1.966 1.00 0.00 C ATOM 744 O ALA A 53 3.691 6.239 -2.842 1.00 0.00 O ATOM 745 CB ALA A 53 5.807 3.674 -1.826 1.00 0.00 C ATOM 0 H ALA A 53 6.332 4.909 0.280 1.00 0.00 H new ATOM 0 HA ALA A 53 6.048 5.748 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.649 3.419 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.858 3.533 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.193 3.028 -1.199 1.00 0.00 H new ATOM 751 N ILE A 54 3.062 4.724 -1.285 1.00 0.00 N ATOM 752 CA ILE A 54 1.641 4.890 -1.536 1.00 0.00 C ATOM 753 C ILE A 54 1.323 6.380 -1.676 1.00 0.00 C ATOM 754 O ILE A 54 0.814 6.816 -2.708 1.00 0.00 O ATOM 755 CB ILE A 54 0.819 4.185 -0.454 1.00 0.00 C ATOM 756 CG1 ILE A 54 1.065 2.675 -0.477 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.666 4.527 -0.584 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.675 2.199 0.843 1.00 0.00 C ATOM 0 H ILE A 54 3.290 4.045 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 54 1.362 4.414 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 54 1.148 4.550 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.125 2.153 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.732 2.424 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.227 4.013 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.802 5.603 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.029 4.208 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.840 1.122 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.626 2.705 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.994 2.430 1.662 1.00 0.00 H new ATOM 770 N ARG A 55 1.637 7.121 -0.624 1.00 0.00 N ATOM 771 CA ARG A 55 1.391 8.553 -0.616 1.00 0.00 C ATOM 772 C ARG A 55 2.238 9.242 -1.688 1.00 0.00 C ATOM 773 O ARG A 55 1.891 10.326 -2.157 1.00 0.00 O ATOM 774 CB ARG A 55 1.717 9.161 0.750 1.00 0.00 C ATOM 775 CG ARG A 55 0.640 8.808 1.777 1.00 0.00 C ATOM 776 CD ARG A 55 1.245 8.072 2.974 1.00 0.00 C ATOM 777 NE ARG A 55 2.364 8.858 3.539 1.00 0.00 N ATOM 778 CZ ARG A 55 2.214 9.843 4.435 1.00 0.00 C ATOM 779 NH1 ARG A 55 0.990 10.170 4.872 1.00 0.00 N ATOM 780 NH2 ARG A 55 3.287 10.502 4.892 1.00 0.00 N ATOM 0 H ARG A 55 2.060 6.756 0.230 1.00 0.00 H new ATOM 0 HA ARG A 55 0.333 8.709 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.685 8.796 1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.798 10.244 0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.145 9.717 2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.123 8.185 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.482 7.911 3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.600 7.089 2.665 1.00 0.00 H new ATOM 0 HE ARG A 55 3.309 8.636 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.173 9.669 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.875 10.920 5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.218 10.254 4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.173 11.252 5.574 1.00 0.00 H new ATOM 794 N GLU A 56 3.332 8.586 -2.046 1.00 0.00 N ATOM 795 CA GLU A 56 4.230 9.122 -3.054 1.00 0.00 C ATOM 796 C GLU A 56 4.049 8.376 -4.378 1.00 0.00 C ATOM 797 O GLU A 56 4.963 8.330 -5.199 1.00 0.00 O ATOM 798 CB GLU A 56 5.685 9.056 -2.583 1.00 0.00 C ATOM 799 CG GLU A 56 5.917 9.987 -1.391 1.00 0.00 C ATOM 800 CD GLU A 56 7.253 10.721 -1.522 1.00 0.00 C ATOM 801 OE1 GLU A 56 8.266 10.142 -1.074 1.00 0.00 O ATOM 802 OE2 GLU A 56 7.232 11.846 -2.068 1.00 0.00 O ATOM 0 H GLU A 56 3.617 7.688 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 56 3.980 10.171 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.935 8.032 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.349 9.334 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.105 10.711 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.904 9.410 -0.466 1.00 0.00 H new ATOM 809 N SER A 57 2.862 7.810 -4.543 1.00 0.00 N ATOM 810 CA SER A 57 2.549 7.069 -5.753 1.00 0.00 C ATOM 811 C SER A 57 1.822 7.975 -6.749 1.00 0.00 C ATOM 812 O SER A 57 2.365 8.308 -7.801 1.00 0.00 O ATOM 813 CB SER A 57 1.699 5.836 -5.439 1.00 0.00 C ATOM 814 OG SER A 57 2.030 4.732 -6.277 1.00 0.00 O ATOM 0 H SER A 57 2.106 7.850 -3.859 1.00 0.00 H new ATOM 0 HA SER A 57 3.485 6.729 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.840 5.554 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.644 6.082 -5.563 1.00 0.00 H new ATOM 0 HG SER A 57 1.338 4.623 -6.963 1.00 0.00 H new ATOM 820 N GLY A 58 0.605 8.348 -6.381 1.00 0.00 N ATOM 821 CA GLY A 58 -0.202 9.209 -7.229 1.00 0.00 C ATOM 822 C GLY A 58 -1.680 9.134 -6.839 1.00 0.00 C ATOM 823 O GLY A 58 -2.548 9.020 -7.702 1.00 0.00 O ATOM 0 H GLY A 58 0.158 8.070 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.148 10.238 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.082 8.914 -8.272 1.00 0.00 H new ATOM 827 N MET A 59 -1.919 9.201 -5.537 1.00 0.00 N ATOM 828 CA MET A 59 -3.277 9.141 -5.023 1.00 0.00 C ATOM 829 C MET A 59 -3.340 9.656 -3.583 1.00 0.00 C ATOM 830 O MET A 59 -2.592 9.196 -2.722 1.00 0.00 O ATOM 831 CB MET A 59 -3.779 7.697 -5.071 1.00 0.00 C ATOM 832 CG MET A 59 -2.725 6.732 -4.525 1.00 0.00 C ATOM 833 SD MET A 59 -2.426 5.424 -5.702 1.00 0.00 S ATOM 834 CE MET A 59 -1.846 4.143 -4.602 1.00 0.00 C ATOM 0 H MET A 59 -1.196 9.296 -4.824 1.00 0.00 H new ATOM 0 HA MET A 59 -3.909 9.775 -5.645 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.696 7.607 -4.488 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.026 7.428 -6.098 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.798 7.269 -4.323 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.062 6.310 -3.578 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.815 3.193 -5.135 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.846 4.393 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.522 4.060 -3.751 1.00 0.00 H new ATOM 844 N ASN A 60 -4.240 10.605 -3.367 1.00 0.00 N ATOM 845 CA ASN A 60 -4.410 11.187 -2.047 1.00 0.00 C ATOM 846 C ASN A 60 -5.100 10.173 -1.132 1.00 0.00 C ATOM 847 O ASN A 60 -6.165 10.451 -0.583 1.00 0.00 O ATOM 848 CB ASN A 60 -5.285 12.441 -2.107 1.00 0.00 C ATOM 849 CG ASN A 60 -4.510 13.623 -2.693 1.00 0.00 C ATOM 850 OD1 ASN A 60 -3.410 13.486 -3.203 1.00 0.00 O ATOM 851 ND2 ASN A 60 -5.143 14.788 -2.592 1.00 0.00 N ATOM 0 H ASN A 60 -4.858 10.985 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.424 11.453 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.168 12.244 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.636 12.692 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.709 15.637 -2.953 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.063 14.832 -2.153 1.00 0.00 H new ATOM 858 N LEU A 61 -4.465 9.018 -0.997 1.00 0.00 N ATOM 859 CA LEU A 61 -5.004 7.962 -0.158 1.00 0.00 C ATOM 860 C LEU A 61 -4.404 8.074 1.245 1.00 0.00 C ATOM 861 O LEU A 61 -3.430 8.796 1.452 1.00 0.00 O ATOM 862 CB LEU A 61 -4.787 6.595 -0.811 1.00 0.00 C ATOM 863 CG LEU A 61 -5.658 6.290 -2.032 1.00 0.00 C ATOM 864 CD1 LEU A 61 -6.695 5.212 -1.710 1.00 0.00 C ATOM 865 CD2 LEU A 61 -6.306 7.565 -2.576 1.00 0.00 C ATOM 0 H LEU A 61 -3.582 8.791 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.083 8.073 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.741 6.518 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.964 5.824 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.016 5.894 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.301 5.014 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.186 4.297 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.338 5.556 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.919 7.320 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.932 8.013 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.529 8.271 -2.869 1.00 0.00 H new ATOM 877 N ASN A 62 -5.011 7.349 2.174 1.00 0.00 N ATOM 878 CA ASN A 62 -4.549 7.359 3.551 1.00 0.00 C ATOM 879 C ASN A 62 -4.151 5.939 3.960 1.00 0.00 C ATOM 880 O ASN A 62 -4.979 5.176 4.453 1.00 0.00 O ATOM 881 CB ASN A 62 -5.653 7.832 4.499 1.00 0.00 C ATOM 882 CG ASN A 62 -5.060 8.486 5.748 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.067 8.043 6.301 1.00 0.00 O ATOM 884 ND2 ASN A 62 -5.722 9.564 6.160 1.00 0.00 N ATOM 0 H ASN A 62 -5.819 6.751 1.999 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.701 8.040 3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.300 8.543 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.276 6.986 4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.405 10.073 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.547 9.882 5.651 1.00 0.00 H new ATOM 891 N PRO A 63 -2.848 5.621 3.735 1.00 0.00 N ATOM 892 CA PRO A 63 -2.329 4.307 4.075 1.00 0.00 C ATOM 893 C PRO A 63 -2.138 4.167 5.587 1.00 0.00 C ATOM 894 O PRO A 63 -1.643 5.083 6.241 1.00 0.00 O ATOM 895 CB PRO A 63 -1.028 4.184 3.298 1.00 0.00 C ATOM 896 CG PRO A 63 -0.633 5.602 2.921 1.00 0.00 C ATOM 897 CD PRO A 63 -1.838 6.500 3.153 1.00 0.00 C ATOM 0 HA PRO A 63 -3.014 3.502 3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.255 3.711 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.160 3.566 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.213 5.935 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.319 5.646 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.595 7.323 3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.188 6.942 2.220 1.00 0.00 H new ATOM 905 N GLU A 64 -2.541 3.013 6.098 1.00 0.00 N ATOM 906 CA GLU A 64 -2.420 2.741 7.520 1.00 0.00 C ATOM 907 C GLU A 64 -1.246 1.795 7.782 1.00 0.00 C ATOM 908 O GLU A 64 -0.658 1.256 6.846 1.00 0.00 O ATOM 909 CB GLU A 64 -3.722 2.167 8.081 1.00 0.00 C ATOM 910 CG GLU A 64 -4.456 3.203 8.935 1.00 0.00 C ATOM 911 CD GLU A 64 -5.921 3.324 8.512 1.00 0.00 C ATOM 912 OE1 GLU A 64 -6.148 3.827 7.390 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.781 2.911 9.320 1.00 0.00 O ATOM 0 H GLU A 64 -2.952 2.255 5.552 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.225 3.682 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.365 1.845 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.505 1.284 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.400 2.919 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.965 4.172 8.840 1.00 0.00 H new ATOM 920 N VAL A 65 -0.940 1.623 9.060 1.00 0.00 N ATOM 921 CA VAL A 65 0.153 0.752 9.456 1.00 0.00 C ATOM 922 C VAL A 65 -0.100 0.237 10.875 1.00 0.00 C ATOM 923 O VAL A 65 -0.188 1.023 11.818 1.00 0.00 O ATOM 924 CB VAL A 65 1.486 1.489 9.317 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.651 2.538 10.418 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.659 0.506 9.316 1.00 0.00 C ATOM 0 H VAL A 65 -1.430 2.072 9.834 1.00 0.00 H new ATOM 0 HA VAL A 65 0.207 -0.116 8.799 1.00 0.00 H new ATOM 0 HB VAL A 65 1.483 2.008 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.607 3.047 10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.842 3.265 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.622 2.050 11.392 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.595 1.056 9.216 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.665 -0.054 10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.554 -0.185 8.480 1.00 0.00 H new ATOM 936 N GLU A 66 -0.210 -1.079 10.982 1.00 0.00 N ATOM 937 CA GLU A 66 -0.451 -1.708 12.269 1.00 0.00 C ATOM 938 C GLU A 66 0.591 -2.797 12.532 1.00 0.00 C ATOM 939 O GLU A 66 0.522 -3.879 11.952 1.00 0.00 O ATOM 940 CB GLU A 66 -1.869 -2.276 12.345 1.00 0.00 C ATOM 941 CG GLU A 66 -2.252 -2.604 13.789 1.00 0.00 C ATOM 942 CD GLU A 66 -2.756 -1.357 14.520 1.00 0.00 C ATOM 943 OE1 GLU A 66 -1.892 -0.553 14.932 1.00 0.00 O ATOM 944 OE2 GLU A 66 -3.993 -1.236 14.649 1.00 0.00 O ATOM 0 H GLU A 66 -0.137 -1.727 10.198 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.357 -0.948 13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.576 -1.556 11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.937 -3.176 11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.025 -3.373 13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.389 -3.014 14.314 1.00 0.00 H new ATOM 951 N GLY A 67 1.533 -2.472 13.406 1.00 0.00 N ATOM 952 CA GLY A 67 2.588 -3.409 13.752 1.00 0.00 C ATOM 953 C GLY A 67 3.535 -3.629 12.571 1.00 0.00 C ATOM 954 O GLY A 67 4.601 -3.018 12.504 1.00 0.00 O ATOM 0 H GLY A 67 1.587 -1.573 13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.149 -3.031 14.607 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.150 -4.360 14.053 1.00 0.00 H new ATOM 958 N THR A 68 3.113 -4.503 11.669 1.00 0.00 N ATOM 959 CA THR A 68 3.910 -4.810 10.494 1.00 0.00 C ATOM 960 C THR A 68 3.010 -4.991 9.270 1.00 0.00 C ATOM 961 O THR A 68 3.442 -5.525 8.250 1.00 0.00 O ATOM 962 CB THR A 68 4.761 -6.042 10.809 1.00 0.00 C ATOM 963 OG1 THR A 68 3.933 -6.827 11.664 1.00 0.00 O ATOM 964 CG2 THR A 68 5.978 -5.708 11.674 1.00 0.00 C ATOM 0 H THR A 68 2.229 -5.008 11.729 1.00 0.00 H new ATOM 0 HA THR A 68 4.581 -3.987 10.246 1.00 0.00 H new ATOM 0 HB THR A 68 5.093 -6.501 9.878 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.407 -7.647 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.547 -6.617 11.868 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.609 -4.989 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.646 -5.279 12.620 1.00 0.00 H new ATOM 972 N LEU A 69 1.774 -4.536 9.413 1.00 0.00 N ATOM 973 CA LEU A 69 0.808 -4.640 8.332 1.00 0.00 C ATOM 974 C LEU A 69 0.306 -3.242 7.966 1.00 0.00 C ATOM 975 O LEU A 69 -0.007 -2.441 8.845 1.00 0.00 O ATOM 976 CB LEU A 69 -0.308 -5.618 8.703 1.00 0.00 C ATOM 977 CG LEU A 69 -0.193 -7.024 8.112 1.00 0.00 C ATOM 978 CD1 LEU A 69 0.689 -7.916 8.989 1.00 0.00 C ATOM 979 CD2 LEU A 69 -1.575 -7.636 7.880 1.00 0.00 C ATOM 0 H LEU A 69 1.419 -4.094 10.261 1.00 0.00 H new ATOM 0 HA LEU A 69 1.278 -5.053 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.342 -5.704 9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.259 -5.189 8.387 1.00 0.00 H new ATOM 0 HG LEU A 69 0.292 -6.947 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.755 -8.910 8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.687 -7.484 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.254 -7.990 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.464 -8.635 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.109 -7.698 8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.138 -7.011 7.187 1.00 0.00 H new ATOM 991 N ILE A 70 0.244 -2.992 6.666 1.00 0.00 N ATOM 992 CA ILE A 70 -0.216 -1.705 6.173 1.00 0.00 C ATOM 993 C ILE A 70 -1.651 -1.842 5.661 1.00 0.00 C ATOM 994 O ILE A 70 -1.938 -2.705 4.833 1.00 0.00 O ATOM 995 CB ILE A 70 0.758 -1.151 5.132 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.192 -1.152 5.667 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.324 0.237 4.658 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.189 -0.794 4.563 1.00 0.00 C ATOM 0 H ILE A 70 0.505 -3.659 5.939 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.234 -0.973 6.980 1.00 0.00 H new ATOM 0 HB ILE A 70 0.738 -1.808 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.279 -0.438 6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.432 -2.134 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.034 0.607 3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.668 0.175 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.296 0.919 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.200 -0.802 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.116 -1.524 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.961 0.199 4.175 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.514 -0.978 6.175 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.912 -0.992 5.780 1.00 0.00 C ATOM 1012 C ARG A 71 -4.194 0.135 4.784 1.00 0.00 C ATOM 1013 O ARG A 71 -4.146 1.311 5.142 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.829 -0.832 6.994 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.619 -2.116 7.257 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.847 -1.836 8.126 1.00 0.00 C ATOM 1017 NE ARG A 71 -6.584 -2.249 9.523 1.00 0.00 N ATOM 1018 CZ ARG A 71 -7.498 -2.213 10.502 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.740 -1.781 10.243 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -7.171 -2.608 11.739 1.00 0.00 N ATOM 0 H ARG A 71 -2.272 -0.264 6.862 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.114 -1.955 5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.235 -0.580 7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.518 -0.004 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.932 -2.555 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.978 -2.847 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.092 -0.774 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.710 -2.375 7.735 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.648 -2.582 9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.989 -1.480 9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.436 -1.753 10.988 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.226 -2.936 11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.867 -2.580 12.484 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.482 -0.263 3.554 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.771 0.699 2.504 1.00 0.00 C ATOM 1036 C VAL A 72 -6.214 0.511 2.029 1.00 0.00 C ATOM 1037 O VAL A 72 -6.502 -0.398 1.252 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.748 0.565 1.375 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.394 0.837 0.015 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.550 1.488 1.608 1.00 0.00 C ATOM 0 H VAL A 72 -4.521 -1.239 3.261 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.684 1.717 2.884 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.384 -0.462 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.645 0.735 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.198 0.121 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.800 1.849 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.838 1.373 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.891 2.523 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.067 1.227 2.550 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.105 1.407 2.530 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.510 1.349 2.165 1.00 0.00 C ATOM 1052 C PRO A 73 -8.730 1.871 0.744 1.00 0.00 C ATOM 1053 O PRO A 73 -8.139 2.875 0.349 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.225 2.178 3.220 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.157 3.047 3.861 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.800 2.497 3.453 1.00 0.00 C ATOM 0 HA PRO A 73 -8.898 0.331 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.008 2.789 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.704 1.538 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.262 4.082 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.261 3.041 4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.190 3.263 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.241 2.139 4.318 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.582 1.166 0.014 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.887 1.546 -1.355 1.00 0.00 C ATOM 1066 C ILE A 74 -10.998 2.599 -1.352 1.00 0.00 C ATOM 1067 O ILE A 74 -11.940 2.510 -0.567 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.215 0.309 -2.194 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.130 -0.759 -2.042 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.447 0.686 -3.659 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -7.911 -0.430 -2.906 1.00 0.00 C ATOM 0 H ILE A 74 -10.071 0.334 0.345 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.016 2.001 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.145 -0.121 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.830 -0.831 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.530 -1.732 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.678 -0.211 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.280 1.385 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.548 1.153 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.155 -1.205 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.209 -0.382 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.499 0.532 -2.602 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.845 3.597 -2.263 1.00 0.00 N ATOM 1084 CA PRO A 75 -11.824 4.666 -2.372 1.00 0.00 C ATOM 1085 C PRO A 75 -13.094 4.176 -3.070 1.00 0.00 C ATOM 1086 O PRO A 75 -13.509 4.741 -4.081 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.115 5.772 -3.137 1.00 0.00 C ATOM 1088 CG PRO A 75 -9.934 5.109 -3.829 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.742 3.735 -3.209 1.00 0.00 C ATOM 0 HA PRO A 75 -12.164 5.026 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.783 6.235 -3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.780 6.561 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.119 5.022 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.034 5.711 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.770 2.952 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.778 3.659 -2.707 1.00 0.00 H new