USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot -80:sc= -0.103 USER MOD Set 1.2: B 131 THR OG1 : rot -110:sc= -0.361 USER MOD Set 2.1: A 15 GLN : amide:sc= 2.29 K(o=2.8,f=-17!) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -131:sc= 0.424! (180deg=0) USER MOD Set 2.3: B 103 GLN : amide:sc= 0.046 K(o=2.8,f=-6.9!) USER MOD Set 3.1: A 11 SER OG : rot -140:sc= 1.09 USER MOD Set 3.2: B 102 LYS NZ :NH3+ -175:sc= -0.727! (180deg=-0.0988) USER MOD Set 4.1: A 3 GLN : amide:sc= 0 K(o=-0.89,f=-1.7) USER MOD Set 4.2: B 114 TYR OH : rot 100:sc= -0.887! USER MOD Single : A 2 LYS NZ :NH3+ -148:sc= 0.866 (180deg=0.41) USER MOD Single : A 6 THR OG1 : rot -131:sc= -2.49! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 13 SER OG : rot 65:sc= 1.23 USER MOD Single : A 14 TYR OH : rot 150:sc= -0.119 USER MOD Single : A 20 TYR OH : rot 180:sc= -2.45! USER MOD Single : A 23 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.41) USER MOD Single : A 25 SER OG : rot 180:sc= -0.469 USER MOD Single : A 29 SER OG : rot 150:sc= 0.273 USER MOD Single : A 30 THR OG1 : rot 94:sc= 0.874 USER MOD Single : A 32 MET CE :methyl -106:sc= -15.4! (180deg=-18.9!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0308 K(o=-0.031,f=-0.56) USER MOD Single : B 106 THR OG1 : rot -140:sc= -1.07 USER MOD Single : B 108 THR OG1 : rot 35:sc= 1.09 USER MOD Single : B 111 SER OG : rot 60:sc= 0.471 USER MOD Single : B 113 SER OG : rot 129:sc= -2.06! USER MOD Single : B 115 GLN : amide:sc= -0.0975 X(o=-0.098,f=0) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 180:sc= -0.0195 USER MOD Single : B 123 ASN : amide:sc= 0.745 K(o=0.75,f=-3.6!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -126:sc= 0.239 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 151:sc= -15.5! (180deg=-19.5!) USER MOD Single : B 133 GLN : amide:sc= 0.353 K(o=0.35,f=-10!) USER MOD Single : B 134 ASN : amide:sc= -0.14 K(o=-0.14,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.992 -9.844 12.911 1.00 0.00 N ATOM 21 CA LYS A 2 3.977 -8.997 12.275 1.00 0.00 C ATOM 22 C LYS A 2 2.879 -9.855 11.620 1.00 0.00 C ATOM 23 O LYS A 2 2.698 -11.025 11.969 1.00 0.00 O ATOM 24 CB LYS A 2 4.622 -8.056 11.238 1.00 0.00 C ATOM 25 CG LYS A 2 5.860 -7.321 11.747 1.00 0.00 C ATOM 26 CD LYS A 2 5.500 -6.027 12.474 1.00 0.00 C ATOM 27 CE LYS A 2 5.746 -4.796 11.605 1.00 0.00 C ATOM 28 NZ LYS A 2 6.279 -3.647 12.396 1.00 0.00 N ATOM 0 HA LYS A 2 3.514 -8.386 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.894 -8.637 10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.882 -7.322 10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.417 -7.972 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.517 -7.094 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.452 -6.058 12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.088 -5.949 13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.450 -5.047 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.814 -4.502 11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.942 -2.754 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.948 -3.719 13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.319 -3.666 12.378 1.00 0.00 H new ATOM 42 N GLN A 3 2.159 -9.269 10.664 1.00 0.00 N ATOM 43 CA GLN A 3 1.091 -9.971 9.950 1.00 0.00 C ATOM 44 C GLN A 3 1.181 -9.691 8.478 1.00 0.00 C ATOM 45 O GLN A 3 1.393 -8.550 8.070 1.00 0.00 O ATOM 46 CB GLN A 3 -0.297 -9.555 10.467 1.00 0.00 C ATOM 47 CG GLN A 3 -1.425 -9.814 9.479 1.00 0.00 C ATOM 48 CD GLN A 3 -2.043 -11.185 9.633 1.00 0.00 C ATOM 49 OE1 GLN A 3 -1.345 -12.168 9.865 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.355 -11.254 9.488 1.00 0.00 N ATOM 0 H GLN A 3 2.297 -8.304 10.364 1.00 0.00 H new ATOM 0 HA GLN A 3 1.219 -11.039 10.129 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.506 -10.093 11.392 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.279 -8.493 10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.198 -9.057 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.043 -9.706 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.892 -10.408 9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.830 -12.153 9.568 1.00 0.00 H new ATOM 59 N ARG A 4 0.973 -10.724 7.674 1.00 0.00 N ATOM 60 CA ARG A 4 1.006 -10.546 6.249 1.00 0.00 C ATOM 61 C ARG A 4 -0.327 -10.003 5.772 1.00 0.00 C ATOM 62 O ARG A 4 -1.283 -10.751 5.560 1.00 0.00 O ATOM 63 CB ARG A 4 1.311 -11.867 5.555 1.00 0.00 C ATOM 64 CG ARG A 4 2.227 -11.718 4.360 1.00 0.00 C ATOM 65 CD ARG A 4 2.760 -13.071 3.922 1.00 0.00 C ATOM 66 NE ARG A 4 3.958 -13.468 4.674 1.00 0.00 N ATOM 67 CZ ARG A 4 5.155 -12.920 4.518 1.00 0.00 C ATOM 68 NH1 ARG A 4 5.322 -11.917 3.684 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.184 -13.373 5.207 1.00 0.00 N ATOM 0 H ARG A 4 0.783 -11.676 7.988 1.00 0.00 H new ATOM 0 HA ARG A 4 1.794 -9.835 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.768 -12.549 6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.376 -12.324 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.687 -11.250 3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.057 -11.058 4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.984 -13.825 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.995 -13.039 2.858 1.00 0.00 H new ATOM 0 HE ARG A 4 3.862 -14.215 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.528 -11.557 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.245 -11.499 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.059 -14.146 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.104 -12.951 5.086 1.00 0.00 H new ATOM 83 N ILE A 5 -0.377 -8.701 5.582 1.00 0.00 N ATOM 84 CA ILE A 5 -1.582 -8.058 5.102 1.00 0.00 C ATOM 85 C ILE A 5 -1.433 -7.866 3.618 1.00 0.00 C ATOM 86 O ILE A 5 -0.597 -7.091 3.154 1.00 0.00 O ATOM 87 CB ILE A 5 -1.868 -6.717 5.823 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.493 -5.510 4.958 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.117 -6.676 7.145 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.876 -4.183 5.573 1.00 0.00 C ATOM 0 H ILE A 5 0.403 -8.067 5.753 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.442 -8.691 5.321 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.940 -6.658 6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.418 -5.521 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.979 -5.605 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.320 -5.732 7.650 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.445 -7.502 7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.047 -6.765 6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.580 -3.374 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.955 -4.151 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.370 -4.066 6.531 1.00 0.00 H new ATOM 102 N THR A 6 -2.194 -8.618 2.868 1.00 0.00 N ATOM 103 CA THR A 6 -2.081 -8.551 1.434 1.00 0.00 C ATOM 104 C THR A 6 -3.361 -8.061 0.788 1.00 0.00 C ATOM 105 O THR A 6 -4.416 -8.687 0.894 1.00 0.00 O ATOM 106 CB THR A 6 -1.614 -9.912 0.868 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.478 -10.394 -0.144 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.482 -11.003 1.911 1.00 0.00 C ATOM 0 H THR A 6 -2.890 -9.276 3.219 1.00 0.00 H new ATOM 0 HA THR A 6 -1.320 -7.812 1.185 1.00 0.00 H new ATOM 0 HB THR A 6 -0.626 -9.696 0.462 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.708 -11.329 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.150 -11.925 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.753 -10.701 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.448 -11.169 2.388 1.00 0.00 H new ATOM 116 N VAL A 7 -3.223 -6.969 0.058 1.00 0.00 N ATOM 117 CA VAL A 7 -4.312 -6.383 -0.692 1.00 0.00 C ATOM 118 C VAL A 7 -4.166 -6.839 -2.136 1.00 0.00 C ATOM 119 O VAL A 7 -3.309 -6.342 -2.873 1.00 0.00 O ATOM 120 CB VAL A 7 -4.329 -4.815 -0.589 1.00 0.00 C ATOM 121 CG1 VAL A 7 -4.226 -4.118 -1.951 1.00 0.00 C ATOM 122 CG2 VAL A 7 -5.569 -4.361 0.145 1.00 0.00 C ATOM 0 H VAL A 7 -2.343 -6.462 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.264 -6.716 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.440 -4.524 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.243 -3.037 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.294 -4.405 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.068 -4.415 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.574 -3.273 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.455 -4.695 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.574 -4.787 1.148 1.00 0.00 H new ATOM 132 N THR A 8 -4.973 -7.812 -2.545 1.00 0.00 N ATOM 133 CA THR A 8 -4.893 -8.311 -3.903 1.00 0.00 C ATOM 134 C THR A 8 -5.420 -7.233 -4.836 1.00 0.00 C ATOM 135 O THR A 8 -6.492 -7.370 -5.426 1.00 0.00 O ATOM 136 CB THR A 8 -5.697 -9.609 -4.039 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.931 -9.524 -3.355 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.972 -10.819 -3.493 1.00 0.00 C ATOM 0 H THR A 8 -5.678 -8.262 -1.962 1.00 0.00 H new ATOM 0 HA THR A 8 -3.860 -8.542 -4.165 1.00 0.00 H new ATOM 0 HB THR A 8 -5.847 -9.732 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.422 -10.365 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.595 -11.704 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.034 -10.955 -4.032 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.764 -10.671 -2.433 1.00 0.00 H new ATOM 146 N VAL A 9 -4.676 -6.129 -4.921 1.00 0.00 N ATOM 147 CA VAL A 9 -5.100 -5.009 -5.728 1.00 0.00 C ATOM 148 C VAL A 9 -4.455 -4.963 -7.118 1.00 0.00 C ATOM 149 O VAL A 9 -4.951 -5.650 -8.018 1.00 0.00 O ATOM 150 CB VAL A 9 -4.984 -3.651 -4.965 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.563 -3.293 -4.575 1.00 0.00 C ATOM 152 CG2 VAL A 9 -5.587 -2.527 -5.779 1.00 0.00 C ATOM 0 H VAL A 9 -3.786 -5.997 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.160 -5.176 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.543 -3.783 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.560 -2.338 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.158 -4.068 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.948 -3.216 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.496 -1.590 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.060 -2.443 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.640 -2.737 -5.965 1.00 0.00 H new ATOM 162 N ASP A 10 -3.432 -4.107 -7.338 1.00 0.00 N ATOM 163 CA ASP A 10 -2.848 -3.919 -8.670 1.00 0.00 C ATOM 164 C ASP A 10 -3.926 -3.166 -9.449 1.00 0.00 C ATOM 165 O ASP A 10 -3.764 -2.007 -9.823 1.00 0.00 O ATOM 166 CB ASP A 10 -2.468 -5.261 -9.320 1.00 0.00 C ATOM 167 CG ASP A 10 -2.528 -5.235 -10.829 1.00 0.00 C ATOM 168 OD1 ASP A 10 -1.695 -4.532 -11.440 1.00 0.00 O ATOM 169 OD2 ASP A 10 -3.400 -5.926 -11.396 1.00 0.00 O ATOM 0 H ASP A 10 -3.000 -3.541 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.911 -3.363 -8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.460 -5.535 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.138 -6.038 -8.950 1.00 0.00 H new ATOM 174 N SER A 11 -5.056 -3.854 -9.561 1.00 0.00 N ATOM 175 CA SER A 11 -6.263 -3.320 -10.154 1.00 0.00 C ATOM 176 C SER A 11 -6.383 -1.839 -9.781 1.00 0.00 C ATOM 177 O SER A 11 -6.305 -0.975 -10.654 1.00 0.00 O ATOM 178 CB SER A 11 -7.491 -4.082 -9.641 1.00 0.00 C ATOM 179 OG SER A 11 -8.297 -4.569 -10.710 1.00 0.00 O ATOM 0 H SER A 11 -5.155 -4.815 -9.235 1.00 0.00 H new ATOM 0 HA SER A 11 -6.214 -3.431 -11.237 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.167 -4.918 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.087 -3.426 -9.006 1.00 0.00 H new ATOM 0 HG SER A 11 -9.244 -4.459 -10.482 1.00 0.00 H new ATOM 185 N ASP A 12 -6.664 -1.542 -8.495 1.00 0.00 N ATOM 186 CA ASP A 12 -6.882 -0.161 -8.071 1.00 0.00 C ATOM 187 C ASP A 12 -5.668 0.789 -8.217 1.00 0.00 C ATOM 188 O ASP A 12 -5.773 1.773 -8.957 1.00 0.00 O ATOM 189 CB ASP A 12 -7.421 -0.153 -6.647 1.00 0.00 C ATOM 190 CG ASP A 12 -8.682 -0.987 -6.501 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.593 -2.231 -6.630 1.00 0.00 O ATOM 192 OD2 ASP A 12 -9.755 -0.397 -6.264 1.00 0.00 O ATOM 0 H ASP A 12 -6.742 -2.234 -7.750 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.613 0.251 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.656 -0.534 -5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.631 0.874 -6.346 1.00 0.00 H new ATOM 197 N SER A 13 -4.522 0.542 -7.533 1.00 0.00 N ATOM 198 CA SER A 13 -3.358 1.458 -7.657 1.00 0.00 C ATOM 199 C SER A 13 -2.218 1.140 -6.659 1.00 0.00 C ATOM 200 O SER A 13 -1.557 2.042 -6.148 1.00 0.00 O ATOM 201 CB SER A 13 -3.812 2.905 -7.447 1.00 0.00 C ATOM 202 OG SER A 13 -3.966 3.578 -8.684 1.00 0.00 O ATOM 0 H SER A 13 -4.379 -0.254 -6.911 1.00 0.00 H new ATOM 0 HA SER A 13 -2.960 1.315 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.757 2.917 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.083 3.432 -6.831 1.00 0.00 H new ATOM 0 HG SER A 13 -4.697 3.167 -9.191 1.00 0.00 H new ATOM 208 N TYR A 14 -1.984 -0.143 -6.406 1.00 0.00 N ATOM 209 CA TYR A 14 -0.912 -0.564 -5.479 1.00 0.00 C ATOM 210 C TYR A 14 0.454 -0.569 -6.146 1.00 0.00 C ATOM 211 O TYR A 14 1.426 -0.054 -5.591 1.00 0.00 O ATOM 212 CB TYR A 14 -1.162 -1.963 -4.924 1.00 0.00 C ATOM 213 CG TYR A 14 0.116 -2.691 -4.577 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.680 -2.596 -3.319 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.773 -3.447 -5.533 1.00 0.00 C ATOM 216 CE1 TYR A 14 1.863 -3.230 -3.022 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.951 -4.092 -5.246 1.00 0.00 C ATOM 218 CZ TYR A 14 2.496 -3.979 -3.989 1.00 0.00 C ATOM 219 OH TYR A 14 3.672 -4.613 -3.701 1.00 0.00 O ATOM 0 H TYR A 14 -2.511 -0.912 -6.820 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.923 0.167 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.787 -1.890 -4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.719 -2.546 -5.657 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.183 -2.014 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.351 -3.531 -6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.294 -3.141 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.446 -4.684 -6.002 1.00 0.00 H new ATOM 0 HH TYR A 14 3.746 -5.427 -4.242 1.00 0.00 H new ATOM 229 N GLN A 15 0.538 -1.214 -7.303 1.00 0.00 N ATOM 230 CA GLN A 15 1.806 -1.356 -8.002 1.00 0.00 C ATOM 231 C GLN A 15 2.547 -0.027 -8.150 1.00 0.00 C ATOM 232 O GLN A 15 3.771 -0.020 -8.171 1.00 0.00 O ATOM 233 CB GLN A 15 1.591 -2.013 -9.367 1.00 0.00 C ATOM 234 CG GLN A 15 0.692 -3.246 -9.316 1.00 0.00 C ATOM 235 CD GLN A 15 1.408 -4.517 -9.724 1.00 0.00 C ATOM 236 OE1 GLN A 15 2.479 -4.838 -9.208 1.00 0.00 O ATOM 237 NE2 GLN A 15 0.823 -5.253 -10.651 1.00 0.00 N ATOM 0 H GLN A 15 -0.256 -1.646 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 15 2.439 -2.001 -7.392 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.154 -1.283 -10.048 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.559 -2.296 -9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.303 -3.363 -8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.165 -3.092 -9.972 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.064 -4.954 -11.055 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.259 -6.121 -10.963 1.00 0.00 H new ATOM 246 N LEU A 16 1.822 1.090 -8.237 1.00 0.00 N ATOM 247 CA LEU A 16 2.467 2.399 -8.375 1.00 0.00 C ATOM 248 C LEU A 16 3.471 2.651 -7.235 1.00 0.00 C ATOM 249 O LEU A 16 4.651 2.897 -7.477 1.00 0.00 O ATOM 250 CB LEU A 16 1.393 3.499 -8.350 1.00 0.00 C ATOM 251 CG LEU A 16 1.120 4.198 -9.680 1.00 0.00 C ATOM 252 CD1 LEU A 16 -0.166 5.008 -9.601 1.00 0.00 C ATOM 253 CD2 LEU A 16 2.283 5.096 -10.051 1.00 0.00 C ATOM 0 H LEU A 16 0.803 1.117 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 16 3.008 2.415 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.460 3.061 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.690 4.252 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 16 1.005 3.438 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.346 5.500 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.000 4.345 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.075 5.760 -8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.074 5.588 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.423 5.849 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.190 4.498 -10.143 1.00 0.00 H new ATOM 265 N LEU A 17 2.970 2.622 -6.003 1.00 0.00 N ATOM 266 CA LEU A 17 3.816 2.896 -4.829 1.00 0.00 C ATOM 267 C LEU A 17 5.047 1.995 -4.758 1.00 0.00 C ATOM 268 O LEU A 17 6.174 2.473 -4.599 1.00 0.00 O ATOM 269 CB LEU A 17 3.034 2.778 -3.541 1.00 0.00 C ATOM 270 CG LEU A 17 2.848 4.096 -2.784 1.00 0.00 C ATOM 271 CD1 LEU A 17 4.122 4.466 -2.055 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.453 5.213 -3.731 1.00 0.00 C ATOM 0 H LEU A 17 1.995 2.415 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 17 4.160 3.923 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.052 2.361 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.541 2.068 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 17 2.047 3.959 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.976 5.405 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.376 3.680 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.933 4.580 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.327 6.139 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.233 5.347 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.515 4.957 -4.224 1.00 0.00 H new ATOM 284 N LYS A 18 4.824 0.696 -4.868 1.00 0.00 N ATOM 285 CA LYS A 18 5.905 -0.278 -4.809 1.00 0.00 C ATOM 286 C LYS A 18 6.751 -0.239 -6.072 1.00 0.00 C ATOM 287 O LYS A 18 7.931 -0.587 -6.054 1.00 0.00 O ATOM 288 CB LYS A 18 5.323 -1.669 -4.601 1.00 0.00 C ATOM 289 CG LYS A 18 4.388 -2.068 -5.721 1.00 0.00 C ATOM 290 CD LYS A 18 4.828 -3.375 -6.364 1.00 0.00 C ATOM 291 CE LYS A 18 4.778 -3.296 -7.879 1.00 0.00 C ATOM 292 NZ LYS A 18 4.743 -4.649 -8.504 1.00 0.00 N ATOM 0 H LYS A 18 3.898 0.288 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 18 6.554 -0.027 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.134 -2.394 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.786 -1.699 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.375 -2.173 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.361 -1.280 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.842 -3.615 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.185 -4.185 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.897 -2.732 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.648 -2.750 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.458 -4.702 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.947 -5.370 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.800 -4.820 -8.908 1.00 0.00 H new ATOM 306 N ALA A 19 6.136 0.199 -7.162 1.00 0.00 N ATOM 307 CA ALA A 19 6.821 0.303 -8.445 1.00 0.00 C ATOM 308 C ALA A 19 8.030 1.220 -8.329 1.00 0.00 C ATOM 309 O ALA A 19 9.017 1.050 -9.042 1.00 0.00 O ATOM 310 CB ALA A 19 5.884 0.804 -9.536 1.00 0.00 C ATOM 0 H ALA A 19 5.159 0.490 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 19 7.158 -0.695 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.426 0.870 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.049 0.112 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.505 1.790 -9.266 1.00 0.00 H new ATOM 316 N TYR A 20 7.949 2.181 -7.410 1.00 0.00 N ATOM 317 CA TYR A 20 9.040 3.108 -7.185 1.00 0.00 C ATOM 318 C TYR A 20 10.000 2.524 -6.164 1.00 0.00 C ATOM 319 O TYR A 20 11.211 2.601 -6.360 1.00 0.00 O ATOM 320 CB TYR A 20 8.521 4.470 -6.708 1.00 0.00 C ATOM 321 CG TYR A 20 7.430 5.050 -7.579 1.00 0.00 C ATOM 322 CD1 TYR A 20 7.222 4.596 -8.878 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.604 6.053 -7.101 1.00 0.00 C ATOM 324 CE1 TYR A 20 6.221 5.128 -9.667 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.606 6.580 -7.880 1.00 0.00 C ATOM 326 CZ TYR A 20 5.414 6.117 -9.159 1.00 0.00 C ATOM 327 OH TYR A 20 4.429 6.667 -9.941 1.00 0.00 O ATOM 0 H TYR A 20 7.136 2.332 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 20 9.563 3.263 -8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.144 4.368 -5.690 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.354 5.172 -6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.853 3.815 -9.275 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.748 6.427 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.074 4.769 -10.675 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.970 7.360 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 20 3.949 7.352 -9.429 1.00 0.00 H new ATOM 337 N ASP A 21 9.438 1.914 -5.095 1.00 0.00 N ATOM 338 CA ASP A 21 10.247 1.269 -4.035 1.00 0.00 C ATOM 339 C ASP A 21 9.565 1.327 -2.666 1.00 0.00 C ATOM 340 O ASP A 21 10.135 0.876 -1.670 1.00 0.00 O ATOM 341 CB ASP A 21 11.638 1.917 -3.905 1.00 0.00 C ATOM 342 CG ASP A 21 12.766 1.021 -4.388 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.578 0.297 -5.390 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.847 1.048 -3.763 1.00 0.00 O ATOM 0 H ASP A 21 8.431 1.855 -4.944 1.00 0.00 H new ATOM 0 HA ASP A 21 10.350 0.228 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.653 2.847 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.813 2.179 -2.862 1.00 0.00 H new ATOM 349 N VAL A 22 8.365 1.888 -2.594 1.00 0.00 N ATOM 350 CA VAL A 22 7.650 2.018 -1.340 1.00 0.00 C ATOM 351 C VAL A 22 6.691 0.857 -1.103 1.00 0.00 C ATOM 352 O VAL A 22 5.471 1.019 -1.208 1.00 0.00 O ATOM 353 CB VAL A 22 6.855 3.335 -1.369 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.275 3.662 -0.002 1.00 0.00 C ATOM 355 CG2 VAL A 22 7.710 4.491 -1.880 1.00 0.00 C ATOM 0 H VAL A 22 7.866 2.263 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 22 8.377 2.013 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 22 6.026 3.196 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.719 4.598 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.606 2.861 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.084 3.762 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.118 5.406 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.572 4.622 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.052 4.271 -2.892 1.00 0.00 H new ATOM 365 N ASN A 23 7.245 -0.322 -0.813 1.00 0.00 N ATOM 366 CA ASN A 23 6.424 -1.529 -0.573 1.00 0.00 C ATOM 367 C ASN A 23 5.481 -1.369 0.636 1.00 0.00 C ATOM 368 O ASN A 23 5.389 -2.256 1.480 1.00 0.00 O ATOM 369 CB ASN A 23 7.271 -2.788 -0.377 1.00 0.00 C ATOM 370 CG ASN A 23 8.743 -2.611 -0.710 1.00 0.00 C ATOM 371 OD1 ASN A 23 9.134 -2.655 -1.872 1.00 0.00 O ATOM 372 ND2 ASN A 23 9.565 -2.410 0.311 1.00 0.00 N ATOM 0 H ASN A 23 8.251 -0.475 -0.737 1.00 0.00 H new ATOM 0 HA ASN A 23 5.826 -1.646 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.182 -3.114 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.864 -3.586 -0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.564 -2.285 0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.199 -2.380 1.262 1.00 0.00 H new ATOM 379 N ILE A 24 4.789 -0.233 0.673 1.00 0.00 N ATOM 380 CA ILE A 24 3.817 0.165 1.676 1.00 0.00 C ATOM 381 C ILE A 24 4.132 -0.157 3.137 1.00 0.00 C ATOM 382 O ILE A 24 3.347 0.232 4.003 1.00 0.00 O ATOM 383 CB ILE A 24 2.430 -0.359 1.339 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.506 -1.367 0.222 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.483 0.769 0.997 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.882 -2.685 0.771 1.00 0.00 C ATOM 0 H ILE A 24 4.904 0.479 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 24 3.865 1.252 1.619 1.00 0.00 H new ATOM 0 HB ILE A 24 2.032 -0.858 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.545 -1.434 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.238 -1.048 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.500 0.360 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.400 1.445 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.865 1.316 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.937 -3.414 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.853 -2.612 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.134 -3.004 1.497 1.00 0.00 H new ATOM 398 N SER A 25 5.220 -0.866 3.446 1.00 0.00 N ATOM 399 CA SER A 25 5.525 -1.209 4.834 1.00 0.00 C ATOM 400 C SER A 25 5.238 -0.030 5.765 1.00 0.00 C ATOM 401 O SER A 25 4.454 -0.147 6.712 1.00 0.00 O ATOM 402 CB SER A 25 6.985 -1.661 4.952 1.00 0.00 C ATOM 403 OG SER A 25 7.807 -0.658 5.527 1.00 0.00 O ATOM 0 H SER A 25 5.896 -1.209 2.763 1.00 0.00 H new ATOM 0 HA SER A 25 4.880 -2.033 5.140 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.037 -2.564 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.366 -1.919 3.964 1.00 0.00 H new ATOM 0 HG SER A 25 8.729 -0.985 5.587 1.00 0.00 H new ATOM 409 N GLY A 26 5.864 1.106 5.464 1.00 0.00 N ATOM 410 CA GLY A 26 5.664 2.308 6.249 1.00 0.00 C ATOM 411 C GLY A 26 4.486 3.131 5.761 1.00 0.00 C ATOM 412 O GLY A 26 3.870 3.844 6.548 1.00 0.00 O ATOM 0 H GLY A 26 6.511 1.213 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.505 2.035 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.568 2.916 6.213 1.00 0.00 H new ATOM 416 N LEU A 27 4.168 3.040 4.463 1.00 0.00 N ATOM 417 CA LEU A 27 3.064 3.783 3.894 1.00 0.00 C ATOM 418 C LEU A 27 1.743 3.332 4.526 1.00 0.00 C ATOM 419 O LEU A 27 1.096 4.107 5.234 1.00 0.00 O ATOM 420 CB LEU A 27 3.070 3.530 2.383 1.00 0.00 C ATOM 421 CG LEU A 27 2.399 4.581 1.514 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.570 3.893 0.452 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.548 5.508 2.357 1.00 0.00 C ATOM 0 H LEU A 27 4.669 2.454 3.795 1.00 0.00 H new ATOM 0 HA LEU A 27 3.169 4.850 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.106 3.430 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.584 2.572 2.196 1.00 0.00 H new ATOM 0 HG LEU A 27 3.161 5.190 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.086 4.643 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.215 3.267 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.810 3.273 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.077 6.253 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.778 4.930 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.176 6.009 3.094 1.00 0.00 H new ATOM 435 N VAL A 28 1.369 2.063 4.304 1.00 0.00 N ATOM 436 CA VAL A 28 0.146 1.512 4.896 1.00 0.00 C ATOM 437 C VAL A 28 0.140 1.782 6.404 1.00 0.00 C ATOM 438 O VAL A 28 -0.709 2.490 6.909 1.00 0.00 O ATOM 439 CB VAL A 28 0.032 -0.004 4.616 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.801 -0.718 5.667 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.552 -0.231 3.236 1.00 0.00 C ATOM 0 H VAL A 28 1.892 1.406 3.724 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.716 2.000 4.441 1.00 0.00 H new ATOM 0 HB VAL A 28 1.036 -0.426 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.854 -1.780 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.341 -0.588 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.807 -0.299 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.630 -1.301 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.543 0.220 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.096 0.225 2.487 1.00 0.00 H new ATOM 451 N SER A 29 1.133 1.240 7.088 1.00 0.00 N ATOM 452 CA SER A 29 1.299 1.423 8.527 1.00 0.00 C ATOM 453 C SER A 29 1.190 2.902 8.940 1.00 0.00 C ATOM 454 O SER A 29 0.758 3.199 10.054 1.00 0.00 O ATOM 455 CB SER A 29 2.656 0.872 8.968 1.00 0.00 C ATOM 456 OG SER A 29 3.694 1.818 8.788 1.00 0.00 O ATOM 0 H SER A 29 1.853 0.657 6.662 1.00 0.00 H new ATOM 0 HA SER A 29 0.493 0.878 9.019 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.607 0.583 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.884 -0.030 8.399 1.00 0.00 H new ATOM 0 HG SER A 29 4.389 1.673 9.463 1.00 0.00 H new ATOM 462 N THR A 30 1.520 3.827 8.035 1.00 0.00 N ATOM 463 CA THR A 30 1.387 5.254 8.330 1.00 0.00 C ATOM 464 C THR A 30 -0.051 5.674 8.076 1.00 0.00 C ATOM 465 O THR A 30 -0.714 6.231 8.956 1.00 0.00 O ATOM 466 CB THR A 30 2.338 6.100 7.482 1.00 0.00 C ATOM 467 OG1 THR A 30 3.681 5.837 7.835 1.00 0.00 O ATOM 468 CG2 THR A 30 2.108 7.590 7.630 1.00 0.00 C ATOM 0 H THR A 30 1.877 3.616 7.103 1.00 0.00 H new ATOM 0 HA THR A 30 1.651 5.419 9.375 1.00 0.00 H new ATOM 0 HB THR A 30 2.136 5.820 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.045 5.145 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.816 8.132 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.091 7.833 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.252 7.879 8.671 1.00 0.00 H new ATOM 476 N THR A 31 -0.539 5.370 6.869 1.00 0.00 N ATOM 477 CA THR A 31 -1.915 5.682 6.506 1.00 0.00 C ATOM 478 C THR A 31 -2.860 5.056 7.532 1.00 0.00 C ATOM 479 O THR A 31 -3.737 5.719 8.094 1.00 0.00 O ATOM 480 CB THR A 31 -2.248 5.156 5.106 1.00 0.00 C ATOM 481 OG1 THR A 31 -1.228 5.488 4.177 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.552 5.703 4.570 1.00 0.00 C ATOM 0 H THR A 31 -0.001 4.911 6.134 1.00 0.00 H new ATOM 0 HA THR A 31 -2.037 6.765 6.499 1.00 0.00 H new ATOM 0 HB THR A 31 -2.333 4.075 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.340 6.417 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.736 5.296 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.367 5.418 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.494 6.790 4.512 1.00 0.00 H new ATOM 490 N MET A 32 -2.642 3.761 7.768 1.00 0.00 N ATOM 491 CA MET A 32 -3.416 2.981 8.717 1.00 0.00 C ATOM 492 C MET A 32 -3.540 3.682 10.063 1.00 0.00 C ATOM 493 O MET A 32 -4.637 3.817 10.587 1.00 0.00 O ATOM 494 CB MET A 32 -2.767 1.603 8.895 1.00 0.00 C ATOM 495 CG MET A 32 -2.756 0.780 7.616 1.00 0.00 C ATOM 496 SD MET A 32 -4.394 0.228 7.160 1.00 0.00 S ATOM 497 CE MET A 32 -4.051 -1.426 6.616 1.00 0.00 C ATOM 0 H MET A 32 -1.913 3.225 7.297 1.00 0.00 H new ATOM 0 HA MET A 32 -4.424 2.867 8.318 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.743 1.733 9.246 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.302 1.053 9.669 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.335 1.375 6.806 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.105 -0.085 7.747 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.111 -1.471 5.529 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.050 -1.714 6.936 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.781 -2.110 7.049 1.00 0.00 H new ATOM 507 N GLN A 33 -2.416 4.133 10.617 1.00 0.00 N ATOM 508 CA GLN A 33 -2.423 4.821 11.905 1.00 0.00 C ATOM 509 C GLN A 33 -3.243 6.106 11.832 1.00 0.00 C ATOM 510 O GLN A 33 -4.071 6.368 12.702 1.00 0.00 O ATOM 511 CB GLN A 33 -0.986 5.105 12.370 1.00 0.00 C ATOM 512 CG GLN A 33 -0.645 6.582 12.549 1.00 0.00 C ATOM 513 CD GLN A 33 0.840 6.816 12.737 1.00 0.00 C ATOM 514 OE1 GLN A 33 1.349 6.767 13.853 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.543 7.072 11.646 1.00 0.00 N ATOM 0 H GLN A 33 -1.492 4.035 10.195 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.895 4.170 12.640 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.819 4.592 13.317 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.294 4.673 11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.990 7.139 11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.183 6.974 13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.081 7.104 10.737 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.547 7.238 11.714 1.00 0.00 H new ATOM 524 N ASN A 34 -3.011 6.905 10.795 1.00 0.00 N ATOM 525 CA ASN A 34 -3.743 8.158 10.639 1.00 0.00 C ATOM 526 C ASN A 34 -5.244 7.903 10.580 1.00 0.00 C ATOM 527 O ASN A 34 -5.999 8.474 11.369 1.00 0.00 O ATOM 528 CB ASN A 34 -3.279 8.917 9.394 1.00 0.00 C ATOM 529 CG ASN A 34 -1.958 9.628 9.596 1.00 0.00 C ATOM 530 OD1 ASN A 34 -1.731 10.259 10.625 1.00 0.00 O ATOM 531 ND2 ASN A 34 -1.077 9.531 8.611 1.00 0.00 N ATOM 0 H ASN A 34 -2.332 6.712 10.059 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.532 8.778 11.511 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.186 8.219 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.039 9.646 9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.170 9.991 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.306 8.997 7.773 1.00 0.00 H new ATOM 538 N GLU A 35 -5.677 7.029 9.673 1.00 0.00 N ATOM 539 CA GLU A 35 -7.097 6.710 9.567 1.00 0.00 C ATOM 540 C GLU A 35 -7.559 5.919 10.793 1.00 0.00 C ATOM 541 O GLU A 35 -8.701 6.068 11.231 1.00 0.00 O ATOM 542 CB GLU A 35 -7.406 5.959 8.269 1.00 0.00 C ATOM 543 CG GLU A 35 -7.725 6.884 7.094 1.00 0.00 C ATOM 544 CD GLU A 35 -8.810 7.908 7.403 1.00 0.00 C ATOM 545 OE1 GLU A 35 -9.968 7.503 7.638 1.00 0.00 O ATOM 546 OE2 GLU A 35 -8.507 9.127 7.405 1.00 0.00 O ATOM 0 H GLU A 35 -5.076 6.537 9.012 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.654 7.646 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.553 5.333 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.251 5.292 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.816 7.408 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.038 6.281 6.242 1.00 0.00 H new ATOM 553 N ALA A 36 -6.655 5.118 11.384 1.00 0.00 N ATOM 554 CA ALA A 36 -6.973 4.359 12.595 1.00 0.00 C ATOM 555 C ALA A 36 -7.159 5.316 13.766 1.00 0.00 C ATOM 556 O ALA A 36 -7.934 5.058 14.682 1.00 0.00 O ATOM 557 CB ALA A 36 -5.871 3.357 12.905 1.00 0.00 C ATOM 0 H ALA A 36 -5.704 4.983 11.041 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.899 3.808 12.431 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.126 2.803 13.808 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.766 2.663 12.071 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.930 3.886 13.058 1.00 0.00 H new ATOM 563 N ARG A 37 -6.440 6.436 13.716 1.00 0.00 N ATOM 564 CA ARG A 37 -6.542 7.457 14.742 1.00 0.00 C ATOM 565 C ARG A 37 -7.735 8.347 14.473 1.00 0.00 C ATOM 566 O ARG A 37 -8.555 8.618 15.349 1.00 0.00 O ATOM 567 CB ARG A 37 -5.311 8.342 14.734 1.00 0.00 C ATOM 568 CG ARG A 37 -4.411 8.143 15.931 1.00 0.00 C ATOM 569 CD ARG A 37 -5.180 8.333 17.225 1.00 0.00 C ATOM 570 NE ARG A 37 -4.301 8.307 18.393 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.729 8.343 19.646 1.00 0.00 C ATOM 572 NH1 ARG A 37 -6.021 8.394 19.912 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.862 8.326 20.638 1.00 0.00 N ATOM 0 H ARG A 37 -5.779 6.654 12.970 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.643 6.952 15.702 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.741 8.148 13.826 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.625 9.385 14.696 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.979 7.143 15.904 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.582 8.849 15.889 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.713 9.283 17.194 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.931 7.549 17.319 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.295 8.258 18.233 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.699 8.406 19.150 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.342 8.421 20.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.862 8.285 20.441 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.191 8.354 21.603 1.00 0.00 H new ATOM 587 N ARG A 38 -7.760 8.843 13.246 1.00 0.00 N ATOM 588 CA ARG A 38 -8.775 9.768 12.796 1.00 0.00 C ATOM 589 C ARG A 38 -10.171 9.133 12.623 1.00 0.00 C ATOM 590 O ARG A 38 -11.163 9.861 12.559 1.00 0.00 O ATOM 591 CB ARG A 38 -8.322 10.408 11.480 1.00 0.00 C ATOM 592 CG ARG A 38 -8.726 11.865 11.329 1.00 0.00 C ATOM 593 CD ARG A 38 -9.394 12.124 9.988 1.00 0.00 C ATOM 594 NE ARG A 38 -10.820 11.796 10.033 1.00 0.00 N ATOM 595 CZ ARG A 38 -11.338 10.619 9.701 1.00 0.00 C ATOM 596 NH1 ARG A 38 -10.580 9.669 9.182 1.00 0.00 N ATOM 597 NH2 ARG A 38 -12.625 10.400 9.875 1.00 0.00 N ATOM 0 H ARG A 38 -7.069 8.610 12.533 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.886 10.519 13.578 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.237 10.333 11.406 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.738 9.838 10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.407 12.140 12.135 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.845 12.499 11.426 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.268 13.171 9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.906 11.530 9.215 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.463 12.525 10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.585 9.835 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.990 8.769 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.219 11.133 10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.028 9.498 9.622 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.798 -9.566 -11.069 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.355 -8.882 -9.847 1.00 0.00 C ATOM 1186 C LYS B 102 -3.951 -9.342 -9.447 1.00 0.00 C ATOM 1187 O LYS B 102 -3.435 -10.327 -9.982 1.00 0.00 O ATOM 1188 CB LYS B 102 -6.304 -9.150 -8.659 1.00 0.00 C ATOM 1189 CG LYS B 102 -7.755 -9.426 -9.030 1.00 0.00 C ATOM 1190 CD LYS B 102 -8.702 -8.452 -8.342 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.467 -7.019 -8.791 1.00 0.00 C ATOM 1192 NZ LYS B 102 -8.852 -6.808 -10.219 1.00 0.00 N ATOM 0 HA LYS B 102 -5.356 -7.816 -10.073 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.922 -10.002 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.275 -8.289 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.876 -9.351 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -8.015 -10.447 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.733 -8.735 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.571 -8.520 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.040 -6.342 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.415 -6.766 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.597 -5.842 -10.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.349 -7.493 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.878 -6.942 -10.325 1.00 0.00 H new ATOM 1206 N GLN B 103 -3.358 -8.648 -8.477 1.00 0.00 N ATOM 1207 CA GLN B 103 -2.036 -9.003 -7.969 1.00 0.00 C ATOM 1208 C GLN B 103 -2.042 -8.942 -6.448 1.00 0.00 C ATOM 1209 O GLN B 103 -2.554 -7.983 -5.866 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.956 -8.064 -8.523 1.00 0.00 C ATOM 1211 CG GLN B 103 0.369 -8.151 -7.767 1.00 0.00 C ATOM 1212 CD GLN B 103 1.583 -7.870 -8.636 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.485 -7.768 -9.856 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.738 -7.734 -8.003 1.00 0.00 N ATOM 0 H GLN B 103 -3.775 -7.834 -8.026 1.00 0.00 H new ATOM 0 HA GLN B 103 -1.803 -10.016 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.783 -8.300 -9.573 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.322 -7.038 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.353 -7.442 -6.939 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.466 -9.146 -7.333 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.777 -7.826 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.589 -7.537 -8.530 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.472 -9.957 -5.799 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.423 -9.985 -4.346 1.00 0.00 C ATOM 1225 C ARG B 104 -0.298 -9.095 -3.846 1.00 0.00 C ATOM 1226 O ARG B 104 0.882 -9.349 -4.102 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.228 -11.409 -3.835 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.750 -11.635 -2.424 1.00 0.00 C ATOM 1229 CD ARG B 104 -2.033 -13.107 -2.162 1.00 0.00 C ATOM 1230 NE ARG B 104 -3.397 -13.490 -2.553 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.724 -14.016 -3.732 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -2.800 -14.263 -4.641 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.981 -14.307 -3.994 1.00 0.00 N ATOM 0 H ARG B 104 -1.043 -10.762 -6.256 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.373 -9.611 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.730 -12.100 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.166 -11.652 -3.862 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.019 -11.270 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.662 -11.056 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -1.315 -13.716 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.887 -13.320 -1.103 1.00 0.00 H new ATOM 0 HE ARG B 104 -4.145 -13.343 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -1.822 -14.051 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -3.064 -14.666 -5.540 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -5.702 -14.129 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.234 -14.710 -4.896 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.680 -8.058 -3.125 1.00 0.00 N ATOM 1248 CA ILE B 105 0.269 -7.115 -2.560 1.00 0.00 C ATOM 1249 C ILE B 105 0.194 -7.203 -1.042 1.00 0.00 C ATOM 1250 O ILE B 105 -0.859 -6.969 -0.466 1.00 0.00 O ATOM 1251 CB ILE B 105 -0.016 -5.680 -3.074 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.809 -4.842 -2.069 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.753 -5.727 -4.405 1.00 0.00 C ATOM 1254 CD1 ILE B 105 0.040 -4.277 -0.957 1.00 0.00 C ATOM 0 H ILE B 105 -1.655 -7.845 -2.914 1.00 0.00 H new ATOM 0 HA ILE B 105 1.282 -7.364 -2.876 1.00 0.00 H new ATOM 0 HB ILE B 105 0.952 -5.197 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.297 -4.022 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -1.598 -5.457 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.945 -4.711 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -0.143 -6.252 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -1.700 -6.252 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -0.586 -3.694 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.507 -5.093 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE B 105 0.813 -3.635 -1.380 1.00 0.00 H new ATOM 1266 N THR B 106 1.279 -7.617 -0.393 1.00 0.00 N ATOM 1267 CA THR B 106 1.242 -7.807 1.060 1.00 0.00 C ATOM 1268 C THR B 106 2.255 -6.959 1.839 1.00 0.00 C ATOM 1269 O THR B 106 3.462 -7.043 1.618 1.00 0.00 O ATOM 1270 CB THR B 106 1.406 -9.309 1.392 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.433 -9.528 2.340 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.713 -10.184 0.187 1.00 0.00 C ATOM 0 H THR B 106 2.175 -7.824 -0.834 1.00 0.00 H new ATOM 0 HA THR B 106 0.266 -7.452 1.391 1.00 0.00 H new ATOM 0 HB THR B 106 0.433 -9.594 1.791 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.940 -10.330 2.094 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.813 -11.221 0.507 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.902 -10.104 -0.537 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.645 -9.855 -0.274 1.00 0.00 H new ATOM 1280 N VAL B 107 1.735 -6.221 2.837 1.00 0.00 N ATOM 1281 CA VAL B 107 2.556 -5.442 3.772 1.00 0.00 C ATOM 1282 C VAL B 107 2.614 -6.199 5.109 1.00 0.00 C ATOM 1283 O VAL B 107 1.694 -6.085 5.921 1.00 0.00 O ATOM 1284 CB VAL B 107 2.052 -3.961 3.975 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.758 -3.692 3.217 1.00 0.00 C ATOM 1286 CG2 VAL B 107 1.879 -3.578 5.456 1.00 0.00 C ATOM 0 H VAL B 107 0.733 -6.150 3.015 1.00 0.00 H new ATOM 0 HA VAL B 107 3.553 -5.342 3.344 1.00 0.00 H new ATOM 0 HB VAL B 107 2.840 -3.331 3.563 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.446 -2.661 3.384 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.920 -3.854 2.151 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -0.019 -4.368 3.573 1.00 0.00 H new ATOM 0 HG21 VAL B 107 1.530 -2.548 5.527 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.149 -4.241 5.920 1.00 0.00 H new ATOM 0 HG23 VAL B 107 2.835 -3.674 5.971 1.00 0.00 H new ATOM 1296 N THR B 108 3.647 -6.997 5.355 1.00 0.00 N ATOM 1297 CA THR B 108 3.718 -7.728 6.612 1.00 0.00 C ATOM 1298 C THR B 108 4.002 -6.761 7.762 1.00 0.00 C ATOM 1299 O THR B 108 5.162 -6.441 8.038 1.00 0.00 O ATOM 1300 CB THR B 108 4.766 -8.829 6.542 1.00 0.00 C ATOM 1301 OG1 THR B 108 6.065 -8.298 6.404 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.544 -9.794 5.419 1.00 0.00 C ATOM 0 H THR B 108 4.428 -7.152 4.718 1.00 0.00 H new ATOM 0 HA THR B 108 2.756 -8.207 6.795 1.00 0.00 H new ATOM 0 HB THR B 108 4.667 -9.365 7.486 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.133 -7.462 6.912 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.328 -10.551 5.430 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.573 -10.275 5.539 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.569 -9.259 4.469 1.00 0.00 H new ATOM 1310 N VAL B 109 2.941 -6.252 8.393 1.00 0.00 N ATOM 1311 CA VAL B 109 3.104 -5.266 9.469 1.00 0.00 C ATOM 1312 C VAL B 109 2.302 -5.533 10.740 1.00 0.00 C ATOM 1313 O VAL B 109 2.746 -5.124 11.803 1.00 0.00 O ATOM 1314 CB VAL B 109 2.690 -3.859 9.002 1.00 0.00 C ATOM 1315 CG1 VAL B 109 3.749 -3.244 8.104 1.00 0.00 C ATOM 1316 CG2 VAL B 109 1.322 -3.897 8.333 1.00 0.00 C ATOM 0 H VAL B 109 1.974 -6.500 8.184 1.00 0.00 H new ATOM 0 HA VAL B 109 4.165 -5.345 9.707 1.00 0.00 H new ATOM 0 HB VAL B 109 2.608 -3.216 9.878 1.00 0.00 H new ATOM 0 HG11 VAL B 109 3.428 -2.251 7.790 1.00 0.00 H new ATOM 0 HG12 VAL B 109 4.689 -3.166 8.651 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.891 -3.873 7.226 1.00 0.00 H new ATOM 0 HG21 VAL B 109 1.047 -2.893 8.010 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.358 -4.559 7.468 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.581 -4.266 9.042 1.00 0.00 H new ATOM 1326 N ASP B 110 1.130 -6.178 10.622 1.00 0.00 N ATOM 1327 CA ASP B 110 0.251 -6.451 11.757 1.00 0.00 C ATOM 1328 C ASP B 110 0.197 -5.216 12.640 1.00 0.00 C ATOM 1329 O ASP B 110 -0.642 -4.330 12.485 1.00 0.00 O ATOM 1330 CB ASP B 110 0.754 -7.659 12.573 1.00 0.00 C ATOM 1331 CG ASP B 110 0.082 -7.768 13.925 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -1.151 -7.960 13.955 1.00 0.00 O ATOM 1333 OD2 ASP B 110 0.786 -7.637 14.949 1.00 0.00 O ATOM 0 H ASP B 110 0.770 -6.523 9.732 1.00 0.00 H new ATOM 0 HA ASP B 110 -0.745 -6.693 11.385 1.00 0.00 H new ATOM 0 HB2 ASP B 110 0.576 -8.574 12.008 1.00 0.00 H new ATOM 0 HB3 ASP B 110 1.832 -7.575 12.713 1.00 0.00 H new ATOM 1338 N SER B 111 1.146 -5.200 13.537 1.00 0.00 N ATOM 1339 CA SER B 111 1.377 -4.170 14.502 1.00 0.00 C ATOM 1340 C SER B 111 1.682 -2.789 13.914 1.00 0.00 C ATOM 1341 O SER B 111 1.577 -1.800 14.641 1.00 0.00 O ATOM 1342 CB SER B 111 2.580 -4.647 15.278 1.00 0.00 C ATOM 1343 OG SER B 111 2.200 -5.442 16.389 1.00 0.00 O ATOM 0 H SER B 111 1.822 -5.960 13.614 1.00 0.00 H new ATOM 0 HA SER B 111 0.472 -4.024 15.092 1.00 0.00 H new ATOM 0 HB2 SER B 111 3.232 -5.224 14.622 1.00 0.00 H new ATOM 0 HB3 SER B 111 3.155 -3.788 15.624 1.00 0.00 H new ATOM 0 HG SER B 111 1.707 -6.229 16.075 1.00 0.00 H new ATOM 1349 N ASP B 112 2.080 -2.671 12.631 1.00 0.00 N ATOM 1350 CA ASP B 112 2.391 -1.345 12.117 1.00 0.00 C ATOM 1351 C ASP B 112 1.105 -0.597 11.760 1.00 0.00 C ATOM 1352 O ASP B 112 0.863 -0.258 10.610 1.00 0.00 O ATOM 1353 CB ASP B 112 3.365 -1.444 10.937 1.00 0.00 C ATOM 1354 CG ASP B 112 4.671 -0.719 11.194 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.732 0.511 10.983 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.640 -1.394 11.604 1.00 0.00 O ATOM 0 H ASP B 112 2.187 -3.441 11.970 1.00 0.00 H new ATOM 0 HA ASP B 112 2.891 -0.764 12.892 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.572 -2.494 10.729 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.893 -1.029 10.046 1.00 0.00 H new ATOM 1361 N SER B 113 0.273 -0.363 12.776 1.00 0.00 N ATOM 1362 CA SER B 113 -1.010 0.346 12.632 1.00 0.00 C ATOM 1363 C SER B 113 -1.988 -0.299 11.631 1.00 0.00 C ATOM 1364 O SER B 113 -3.191 -0.037 11.699 1.00 0.00 O ATOM 1365 CB SER B 113 -0.757 1.800 12.253 1.00 0.00 C ATOM 1366 OG SER B 113 -0.332 2.541 13.385 1.00 0.00 O ATOM 0 H SER B 113 0.468 -0.661 13.732 1.00 0.00 H new ATOM 0 HA SER B 113 -1.499 0.280 13.604 1.00 0.00 H new ATOM 0 HB2 SER B 113 0.001 1.852 11.471 1.00 0.00 H new ATOM 0 HB3 SER B 113 -1.667 2.239 11.844 1.00 0.00 H new ATOM 0 HG SER B 113 0.488 3.031 13.166 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.489 -1.142 10.719 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.331 -1.816 9.737 1.00 0.00 C ATOM 1374 C TYR B 114 -3.564 -2.423 10.409 1.00 0.00 C ATOM 1375 O TYR B 114 -4.702 -2.199 9.990 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.540 -2.936 9.061 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.303 -4.244 8.962 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.306 -4.408 8.022 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.017 -5.308 9.805 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.002 -5.591 7.916 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -2.710 -6.499 9.709 1.00 0.00 C ATOM 1382 CZ TYR B 114 -3.699 -6.637 8.762 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.385 -7.823 8.661 1.00 0.00 O ATOM 0 H TYR B 114 -0.498 -1.371 10.645 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.649 -1.080 8.998 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.255 -2.615 8.059 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.617 -3.104 9.616 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.547 -3.591 7.358 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.240 -5.203 10.548 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.780 -5.699 7.175 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -2.477 -7.318 10.374 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.847 -8.470 8.159 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.297 -3.240 11.435 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.336 -3.951 12.168 1.00 0.00 C ATOM 1395 C GLN B 115 -5.478 -3.026 12.622 1.00 0.00 C ATOM 1396 O GLN B 115 -6.642 -3.385 12.504 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.729 -4.659 13.384 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.852 -3.759 14.238 1.00 0.00 C ATOM 1399 CD GLN B 115 -2.456 -4.395 15.557 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -2.780 -3.881 16.623 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.757 -5.519 15.499 1.00 0.00 N ATOM 0 H GLN B 115 -2.353 -3.423 11.776 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.764 -4.684 11.484 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.534 -5.058 14.001 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.138 -5.509 13.042 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -1.952 -3.503 13.680 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -3.381 -2.827 14.435 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.506 -5.917 14.594 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -1.470 -5.986 16.359 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.143 -1.844 13.147 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.161 -0.892 13.622 1.00 0.00 C ATOM 1412 C LEU B 116 -7.163 -0.534 12.523 1.00 0.00 C ATOM 1413 O LEU B 116 -8.373 -0.510 12.754 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.503 0.395 14.126 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.800 0.754 15.583 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.901 1.890 16.045 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.262 1.135 15.752 1.00 0.00 C ATOM 0 H LEU B 116 -4.182 -1.521 13.255 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.694 -1.382 14.437 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.424 0.303 14.004 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.826 1.221 13.492 1.00 0.00 H new ATOM 0 HG LEU B 116 -5.598 -0.122 16.200 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.126 2.133 17.084 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -3.858 1.586 15.961 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.074 2.767 15.422 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.454 1.387 16.795 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.489 1.996 15.123 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -7.893 0.296 15.459 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.640 -0.260 11.332 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.486 0.100 10.193 1.00 0.00 C ATOM 1431 C LEU B 117 -8.545 -0.969 9.942 1.00 0.00 C ATOM 1432 O LEU B 117 -9.730 -0.677 9.783 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.638 0.291 8.933 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.712 1.662 8.232 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -7.180 1.508 6.800 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -7.625 2.626 8.950 1.00 0.00 C ATOM 0 H LEU B 117 -5.641 -0.279 11.128 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.986 1.039 10.432 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.597 0.102 9.195 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.929 -0.473 8.212 1.00 0.00 H new ATOM 0 HG LEU B 117 -5.703 2.073 8.250 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.225 2.488 6.325 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -6.482 0.872 6.256 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -8.170 1.053 6.788 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -7.643 3.576 8.417 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.633 2.213 8.988 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -7.260 2.786 9.964 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.099 -2.205 9.926 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.984 -3.349 9.701 1.00 0.00 C ATOM 1450 C LYS B 118 -9.743 -3.712 10.963 1.00 0.00 C ATOM 1451 O LYS B 118 -10.892 -4.150 10.911 1.00 0.00 O ATOM 1452 CB LYS B 118 -8.189 -4.548 9.203 1.00 0.00 C ATOM 1453 CG LYS B 118 -7.006 -4.868 10.082 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.644 -6.338 9.986 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.092 -6.876 11.293 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.538 -8.278 11.531 1.00 0.00 N ATOM 0 H LYS B 118 -7.120 -2.455 10.067 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.709 -3.065 8.938 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.844 -5.417 9.152 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.840 -4.352 8.189 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -6.152 -4.259 9.786 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.236 -4.613 11.116 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.527 -6.911 9.703 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.906 -6.478 9.196 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.003 -6.836 11.274 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.420 -6.243 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -6.145 -8.619 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.577 -8.310 11.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.204 -8.885 10.756 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.086 -3.506 12.090 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.673 -3.779 13.394 1.00 0.00 C ATOM 1472 C ALA B 119 -10.953 -2.974 13.565 1.00 0.00 C ATOM 1473 O ALA B 119 -11.888 -3.414 14.233 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.684 -3.461 14.507 1.00 0.00 C ATOM 0 H ALA B 119 -8.133 -3.146 12.130 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.916 -4.840 13.454 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.143 -3.672 15.473 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.792 -4.075 14.387 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.408 -2.408 14.459 1.00 0.00 H new ATOM 1480 N TYR B 120 -10.992 -1.794 12.939 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.161 -0.951 13.009 1.00 0.00 C ATOM 1482 C TYR B 120 -13.139 -1.299 11.885 1.00 0.00 C ATOM 1483 O TYR B 120 -14.328 -1.434 12.161 1.00 0.00 O ATOM 1484 CB TYR B 120 -11.760 0.536 13.072 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.698 1.319 11.775 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.775 1.418 10.898 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.542 2.016 11.467 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.684 2.189 9.752 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.445 2.781 10.337 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.516 2.870 9.480 1.00 0.00 C ATOM 1491 OH TYR B 120 -11.412 3.636 8.344 1.00 0.00 O ATOM 0 H TYR B 120 -10.225 -1.413 12.384 1.00 0.00 H new ATOM 0 HA TYR B 120 -12.700 -1.142 13.937 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.464 1.042 13.733 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -10.779 0.596 13.544 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.691 0.888 11.114 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -9.696 1.954 12.135 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -13.523 2.257 9.075 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.531 3.313 10.119 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.523 4.048 8.307 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.630 -1.511 10.646 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.486 -1.919 9.495 1.00 0.00 C ATOM 1503 C ASP B 121 -12.930 -1.450 8.150 1.00 0.00 C ATOM 1504 O ASP B 121 -13.692 -1.132 7.233 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.934 -1.410 9.630 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.934 -2.544 9.761 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.947 -3.430 8.879 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.712 -2.542 10.735 1.00 0.00 O ATOM 0 H ASP B 121 -11.642 -1.409 10.415 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.483 -3.009 9.519 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.008 -0.761 10.502 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.187 -0.805 8.759 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.612 -1.422 8.019 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.968 -0.997 6.783 1.00 0.00 C ATOM 1515 C VAL B 122 -9.527 -1.479 6.769 1.00 0.00 C ATOM 1516 O VAL B 122 -8.634 -0.763 7.191 1.00 0.00 O ATOM 1517 CB VAL B 122 -10.978 0.546 6.655 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.204 1.002 5.425 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -12.394 1.091 6.606 1.00 0.00 C ATOM 0 H VAL B 122 -10.963 -1.690 8.759 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.521 -1.426 5.947 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.487 0.943 7.544 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.229 2.090 5.362 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.170 0.666 5.501 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -10.659 0.576 4.530 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -12.363 2.177 6.516 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -12.916 0.670 5.747 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.921 0.818 7.520 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.292 -2.688 6.278 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.928 -3.207 6.224 1.00 0.00 C ATOM 1531 C ASN B 123 -7.098 -2.300 5.317 1.00 0.00 C ATOM 1532 O ASN B 123 -6.526 -1.320 5.774 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.900 -4.684 5.761 1.00 0.00 C ATOM 1534 CG ASN B 123 -9.250 -5.372 5.865 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -10.226 -4.931 5.265 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -9.310 -6.455 6.625 1.00 0.00 N ATOM 0 H ASN B 123 -10.009 -3.318 5.918 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.493 -3.201 7.223 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -7.557 -4.727 4.727 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -7.174 -5.232 6.361 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -10.192 -6.957 6.729 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -8.474 -6.787 7.106 1.00 0.00 H new ATOM 1543 N ILE B 124 -7.051 -2.604 4.037 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.304 -1.765 3.093 1.00 0.00 C ATOM 1545 C ILE B 124 -6.872 -1.796 1.681 1.00 0.00 C ATOM 1546 O ILE B 124 -6.309 -1.161 0.790 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.801 -2.104 3.019 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.466 -3.303 3.882 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.972 -0.905 3.436 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -5.284 -4.504 3.522 1.00 0.00 C ATOM 0 H ILE B 124 -7.511 -3.413 3.620 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.418 -0.762 3.503 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.562 -2.357 1.986 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.408 -3.541 3.776 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.633 -3.053 4.930 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.913 -1.157 3.379 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.182 -0.068 2.770 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.224 -0.626 4.459 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.009 -5.338 4.167 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -6.342 -4.277 3.654 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.098 -4.773 2.482 1.00 0.00 H new ATOM 1562 N SER B 125 -7.946 -2.560 1.462 1.00 0.00 N ATOM 1563 CA SER B 125 -8.525 -2.686 0.133 1.00 0.00 C ATOM 1564 C SER B 125 -8.491 -1.340 -0.601 1.00 0.00 C ATOM 1565 O SER B 125 -7.820 -1.199 -1.629 1.00 0.00 O ATOM 1566 CB SER B 125 -9.959 -3.209 0.230 1.00 0.00 C ATOM 1567 OG SER B 125 -10.444 -3.635 -1.031 1.00 0.00 O ATOM 0 H SER B 125 -8.425 -3.095 2.186 1.00 0.00 H new ATOM 0 HA SER B 125 -7.931 -3.400 -0.438 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.997 -4.039 0.935 1.00 0.00 H new ATOM 0 HB3 SER B 125 -10.607 -2.426 0.624 1.00 0.00 H new ATOM 0 HG SER B 125 -11.362 -3.965 -0.934 1.00 0.00 H new ATOM 1573 N GLY B 126 -9.192 -0.348 -0.050 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.203 0.978 -0.646 1.00 0.00 C ATOM 1575 C GLY B 126 -8.020 1.823 -0.199 1.00 0.00 C ATOM 1576 O GLY B 126 -7.571 2.703 -0.934 1.00 0.00 O ATOM 0 H GLY B 126 -9.752 -0.440 0.798 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -9.191 0.886 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.130 1.486 -0.380 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.512 1.560 1.013 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.391 2.300 1.545 1.00 0.00 C ATOM 1582 C LEU B 127 -5.152 2.102 0.684 1.00 0.00 C ATOM 1583 O LEU B 127 -4.645 3.063 0.107 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.117 1.842 2.972 1.00 0.00 C ATOM 1585 CG LEU B 127 -5.148 2.708 3.761 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -4.826 2.032 5.068 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -3.886 2.942 2.962 1.00 0.00 C ATOM 0 H LEU B 127 -7.871 0.835 1.635 1.00 0.00 H new ATOM 0 HA LEU B 127 -6.637 3.362 1.542 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.064 1.803 3.511 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.726 0.825 2.940 1.00 0.00 H new ATOM 0 HG LEU B 127 -5.608 3.675 3.962 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.131 2.651 5.636 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -5.742 1.895 5.642 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.371 1.061 4.873 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -3.201 3.563 3.538 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -3.412 1.985 2.743 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.135 3.446 2.028 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.672 0.858 0.577 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.502 0.594 -0.241 1.00 0.00 C ATOM 1601 C VAL B 128 -3.716 1.156 -1.651 1.00 0.00 C ATOM 1602 O VAL B 128 -3.005 2.040 -2.090 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.195 -0.919 -0.289 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.380 -1.283 -1.519 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.471 -1.347 0.980 1.00 0.00 C ATOM 0 H VAL B 128 -5.071 0.040 1.038 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.641 1.091 0.206 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.143 -1.454 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -2.182 -2.355 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.937 -1.016 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.435 -0.740 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.260 -2.415 0.936 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.535 -0.795 1.069 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.099 -1.137 1.846 1.00 0.00 H new ATOM 1615 N SER B 129 -4.720 0.655 -2.337 1.00 0.00 N ATOM 1616 CA SER B 129 -5.053 1.098 -3.691 1.00 0.00 C ATOM 1617 C SER B 129 -5.155 2.627 -3.862 1.00 0.00 C ATOM 1618 O SER B 129 -4.645 3.168 -4.843 1.00 0.00 O ATOM 1619 CB SER B 129 -6.392 0.492 -4.082 1.00 0.00 C ATOM 1620 OG SER B 129 -7.358 0.697 -3.066 1.00 0.00 O ATOM 0 H SER B 129 -5.336 -0.074 -1.978 1.00 0.00 H new ATOM 0 HA SER B 129 -4.232 0.767 -4.327 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.739 0.938 -5.014 1.00 0.00 H new ATOM 0 HB3 SER B 129 -6.272 -0.576 -4.265 1.00 0.00 H new ATOM 0 HG SER B 129 -7.748 -0.164 -2.807 1.00 0.00 H new ATOM 1626 N THR B 130 -5.833 3.324 -2.946 1.00 0.00 N ATOM 1627 CA THR B 130 -6.005 4.770 -3.079 1.00 0.00 C ATOM 1628 C THR B 130 -4.816 5.553 -2.552 1.00 0.00 C ATOM 1629 O THR B 130 -4.310 6.449 -3.230 1.00 0.00 O ATOM 1630 CB THR B 130 -7.297 5.235 -2.394 1.00 0.00 C ATOM 1631 OG1 THR B 130 -7.931 6.227 -3.175 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.105 5.814 -1.005 1.00 0.00 C ATOM 0 H THR B 130 -6.265 2.917 -2.117 1.00 0.00 H new ATOM 0 HA THR B 130 -6.076 4.975 -4.147 1.00 0.00 H new ATOM 0 HB THR B 130 -7.899 4.331 -2.297 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.755 6.516 -2.731 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.071 6.115 -0.600 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.658 5.061 -0.356 1.00 0.00 H new ATOM 0 HG23 THR B 130 -6.448 6.682 -1.060 1.00 0.00 H new ATOM 1640 N THR B 131 -4.396 5.246 -1.330 1.00 0.00 N ATOM 1641 CA THR B 131 -3.291 5.968 -0.716 1.00 0.00 C ATOM 1642 C THR B 131 -2.044 5.957 -1.598 1.00 0.00 C ATOM 1643 O THR B 131 -1.290 6.930 -1.633 1.00 0.00 O ATOM 1644 CB THR B 131 -2.981 5.422 0.685 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.004 6.463 1.649 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.635 4.743 0.799 1.00 0.00 C ATOM 0 H THR B 131 -4.800 4.510 -0.751 1.00 0.00 H new ATOM 0 HA THR B 131 -3.605 7.007 -0.611 1.00 0.00 H new ATOM 0 HB THR B 131 -3.759 4.681 0.868 1.00 0.00 H new ATOM 0 HG1 THR B 131 -2.093 6.635 1.967 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.493 4.386 1.819 1.00 0.00 H new ATOM 0 HG22 THR B 131 -1.593 3.899 0.110 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.847 5.454 0.550 1.00 0.00 H new ATOM 1654 N MET B 132 -1.834 4.858 -2.315 1.00 0.00 N ATOM 1655 CA MET B 132 -0.677 4.741 -3.192 1.00 0.00 C ATOM 1656 C MET B 132 -0.768 5.724 -4.352 1.00 0.00 C ATOM 1657 O MET B 132 0.151 6.488 -4.574 1.00 0.00 O ATOM 1658 CB MET B 132 -0.535 3.311 -3.702 1.00 0.00 C ATOM 1659 CG MET B 132 -0.592 2.285 -2.590 1.00 0.00 C ATOM 1660 SD MET B 132 1.008 1.878 -1.908 1.00 0.00 S ATOM 1661 CE MET B 132 0.844 0.112 -1.800 1.00 0.00 C ATOM 0 H MET B 132 -2.445 4.042 -2.306 1.00 0.00 H new ATOM 0 HA MET B 132 0.213 4.989 -2.614 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.328 3.106 -4.421 1.00 0.00 H new ATOM 0 HB3 MET B 132 0.411 3.212 -4.234 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.232 2.662 -1.792 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.058 1.376 -2.970 1.00 0.00 H new ATOM 0 HE1 MET B 132 1.826 -0.351 -1.900 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.413 -0.155 -0.835 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.193 -0.242 -2.599 1.00 0.00 H new ATOM 1671 N GLN B 133 -1.881 5.724 -5.082 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.046 6.652 -6.205 1.00 0.00 C ATOM 1673 C GLN B 133 -1.753 8.095 -5.779 1.00 0.00 C ATOM 1674 O GLN B 133 -1.083 8.834 -6.505 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.455 6.525 -6.798 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.079 7.847 -7.236 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.907 7.717 -8.497 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -4.480 8.123 -9.580 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -6.097 7.150 -8.367 1.00 0.00 N ATOM 0 H GLN B 133 -2.674 5.102 -4.922 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.324 6.387 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.415 5.855 -7.657 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.106 6.058 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.708 8.230 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.289 8.580 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.411 6.828 -7.452 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -6.699 7.035 -9.182 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.231 8.486 -4.598 1.00 0.00 N ATOM 1689 CA ASN B 134 -1.983 9.836 -4.092 1.00 0.00 C ATOM 1690 C ASN B 134 -0.494 10.040 -3.848 1.00 0.00 C ATOM 1691 O ASN B 134 0.120 10.957 -4.405 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.754 10.077 -2.791 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.141 10.646 -3.004 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.525 10.994 -4.118 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -4.906 10.734 -1.925 1.00 0.00 N ATOM 0 H ASN B 134 -2.786 7.895 -3.979 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.327 10.549 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -2.836 9.136 -2.248 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.183 10.760 -2.161 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -5.854 11.102 -2.001 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.547 10.433 -1.019 1.00 0.00 H new ATOM 1702 N GLU B 135 0.086 9.159 -3.037 1.00 0.00 N ATOM 1703 CA GLU B 135 1.506 9.226 -2.738 1.00 0.00 C ATOM 1704 C GLU B 135 2.334 8.914 -3.981 1.00 0.00 C ATOM 1705 O GLU B 135 3.461 9.344 -4.085 1.00 0.00 O ATOM 1706 CB GLU B 135 1.853 8.294 -1.577 1.00 0.00 C ATOM 1707 CG GLU B 135 1.575 8.911 -0.205 1.00 0.00 C ATOM 1708 CD GLU B 135 0.736 10.183 -0.271 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -0.511 10.075 -0.264 1.00 0.00 O ATOM 1710 OE2 GLU B 135 1.327 11.285 -0.337 1.00 0.00 O ATOM 0 H GLU B 135 -0.408 8.393 -2.578 1.00 0.00 H new ATOM 0 HA GLU B 135 1.752 10.242 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.280 7.372 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.907 8.023 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU B 135 1.062 8.178 0.417 1.00 0.00 H new ATOM 0 HG3 GLU B 135 2.523 9.135 0.283 1.00 0.00 H new ATOM 1717 N ALA B 136 1.748 8.202 -4.940 1.00 0.00 N ATOM 1718 CA ALA B 136 2.417 7.891 -6.200 1.00 0.00 C ATOM 1719 C ALA B 136 2.499 9.160 -7.032 1.00 0.00 C ATOM 1720 O ALA B 136 3.522 9.449 -7.652 1.00 0.00 O ATOM 1721 CB ALA B 136 1.661 6.806 -6.949 1.00 0.00 C ATOM 0 H ALA B 136 0.802 7.827 -4.867 1.00 0.00 H new ATOM 0 HA ALA B 136 3.422 7.519 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA B 136 2.173 6.586 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.619 5.904 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.648 7.148 -7.161 1.00 0.00 H new ATOM 1727 N ARG B 137 1.421 9.941 -7.005 1.00 0.00 N ATOM 1728 CA ARG B 137 1.394 11.210 -7.717 1.00 0.00 C ATOM 1729 C ARG B 137 2.271 12.212 -6.998 1.00 0.00 C ATOM 1730 O ARG B 137 3.130 12.868 -7.591 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.005 11.787 -7.744 1.00 0.00 C ATOM 1732 CG ARG B 137 -0.696 11.670 -9.089 1.00 0.00 C ATOM 1733 CD ARG B 137 -2.206 11.618 -8.928 1.00 0.00 C ATOM 1734 NE ARG B 137 -2.803 10.480 -9.637 1.00 0.00 N ATOM 1735 CZ ARG B 137 -2.907 10.383 -10.957 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -2.413 11.322 -11.744 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -3.507 9.337 -11.483 1.00 0.00 N ATOM 0 H ARG B 137 0.563 9.717 -6.501 1.00 0.00 H new ATOM 0 HA ARG B 137 1.744 11.026 -8.733 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -0.610 11.281 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG B 137 0.042 12.839 -7.461 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -0.423 12.519 -9.716 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -0.351 10.772 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -2.454 11.554 -7.869 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -2.641 12.545 -9.302 1.00 0.00 H new ATOM 0 HE ARG B 137 -3.164 9.709 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -1.945 12.133 -11.339 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -2.499 11.236 -12.757 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.887 8.609 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -3.592 9.254 -12.496 1.00 0.00 H new ATOM 1751 N ARG B 138 1.996 12.349 -5.709 1.00 0.00 N ATOM 1752 CA ARG B 138 2.698 13.298 -4.875 1.00 0.00 C ATOM 1753 C ARG B 138 4.138 12.860 -4.544 1.00 0.00 C ATOM 1754 O ARG B 138 5.064 13.674 -4.602 1.00 0.00 O ATOM 1755 CB ARG B 138 1.917 13.520 -3.579 1.00 0.00 C ATOM 1756 CG ARG B 138 2.447 14.666 -2.733 1.00 0.00 C ATOM 1757 CD ARG B 138 2.742 14.221 -1.305 1.00 0.00 C ATOM 1758 NE ARG B 138 1.544 14.245 -0.456 1.00 0.00 N ATOM 1759 CZ ARG B 138 0.826 15.331 -0.200 1.00 0.00 C ATOM 1760 NH1 ARG B 138 1.187 16.506 -0.679 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -0.239 15.251 0.566 1.00 0.00 N ATOM 0 H ARG B 138 1.284 11.807 -5.220 1.00 0.00 H new ATOM 0 HA ARG B 138 2.770 14.227 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.873 13.714 -3.824 1.00 0.00 H new ATOM 0 HB3 ARG B 138 1.941 12.604 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG B 138 3.356 15.063 -3.186 1.00 0.00 H new ATOM 0 HG3 ARG B 138 1.718 15.476 -2.719 1.00 0.00 H new ATOM 0 HD2 ARG B 138 3.155 13.212 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG B 138 3.503 14.871 -0.874 1.00 0.00 H new ATOM 0 HE ARG B 138 1.243 13.366 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG B 138 2.026 16.587 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG B 138 0.627 17.334 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -0.514 14.353 0.964 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -0.790 16.087 0.762 1.00 0.00 H new