USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -118:sc= 1.13 USER MOD Set 1.2: A 97 THR OG1 : rot -162:sc= 0.995 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.2 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -162:sc= -0.844 USER MOD Single : A 25 THR OG1 : rot -150:sc= -0.913 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 1.02 K(o=1,f=-6.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 148:sc= 0.0675 USER MOD Single : A 42 GLN : amide:sc= -0.595 K(o=-0.59,f=-1.8) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.691 K(o=-0.69,f=-1.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -5.87! C(o=-5.9!,f=-25!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 121:sc= -0.146! USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.748 -15.310 1.873 1.00 0.00 N ATOM 60 CA GLY A 7 16.398 -14.120 1.120 1.00 0.00 C ATOM 61 C GLY A 7 16.638 -12.846 1.906 1.00 0.00 C ATOM 62 O GLY A 7 17.208 -12.863 2.997 1.00 0.00 O ATOM 0 HA2 GLY A 7 16.982 -14.091 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.349 -14.172 0.830 1.00 0.00 H new ATOM 66 N PRO A 8 16.199 -11.709 1.346 1.00 0.00 N ATOM 67 CA PRO A 8 16.360 -10.399 1.984 1.00 0.00 C ATOM 68 C PRO A 8 15.481 -10.244 3.220 1.00 0.00 C ATOM 69 O PRO A 8 14.660 -11.110 3.524 1.00 0.00 O ATOM 70 CB PRO A 8 15.926 -9.417 0.893 1.00 0.00 C ATOM 71 CG PRO A 8 15.002 -10.200 0.025 1.00 0.00 C ATOM 72 CD PRO A 8 15.512 -11.614 0.047 1.00 0.00 C ATOM 0 HA PRO A 8 17.379 -10.241 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.427 -8.547 1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.782 -9.048 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.979 -10.148 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.992 -9.805 -0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.699 -12.336 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.192 -11.809 -0.782 1.00 0.00 H new ATOM 80 N LYS A 9 15.657 -9.136 3.931 1.00 0.00 N ATOM 81 CA LYS A 9 14.879 -8.866 5.134 1.00 0.00 C ATOM 82 C LYS A 9 13.746 -7.887 4.841 1.00 0.00 C ATOM 83 O LYS A 9 13.806 -7.095 3.901 1.00 0.00 O ATOM 84 CB LYS A 9 15.782 -8.303 6.235 1.00 0.00 C ATOM 85 CG LYS A 9 16.556 -9.370 6.990 1.00 0.00 C ATOM 86 CD LYS A 9 17.644 -9.986 6.127 1.00 0.00 C ATOM 87 CE LYS A 9 18.349 -11.124 6.848 1.00 0.00 C ATOM 88 NZ LYS A 9 19.495 -10.638 7.666 1.00 0.00 N ATOM 0 H LYS A 9 16.333 -8.409 3.695 1.00 0.00 H new ATOM 0 HA LYS A 9 14.445 -9.806 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.487 -7.600 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.172 -7.740 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.003 -8.933 7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.871 -10.149 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.208 -10.356 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.371 -9.221 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.638 -11.642 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.706 -11.850 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.949 -11.444 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.186 -10.166 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.151 -9.964 8.380 1.00 0.00 H new ATOM 102 N PRO A 10 12.690 -7.940 5.666 1.00 0.00 N ATOM 103 CA PRO A 10 11.525 -7.063 5.516 1.00 0.00 C ATOM 104 C PRO A 10 11.843 -5.611 5.858 1.00 0.00 C ATOM 105 O PRO A 10 12.673 -5.319 6.720 1.00 0.00 O ATOM 106 CB PRO A 10 10.517 -7.638 6.514 1.00 0.00 C ATOM 107 CG PRO A 10 11.350 -8.326 7.540 1.00 0.00 C ATOM 108 CD PRO A 10 12.552 -8.858 6.808 1.00 0.00 C ATOM 0 HA PRO A 10 11.163 -7.040 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.909 -6.851 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.832 -8.333 6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.648 -7.635 8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.794 -9.133 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.441 -8.852 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.400 -9.887 6.481 1.00 0.00 H new ATOM 116 N PRO A 11 11.169 -4.678 5.170 1.00 0.00 N ATOM 117 CA PRO A 11 11.364 -3.241 5.384 1.00 0.00 C ATOM 118 C PRO A 11 10.822 -2.778 6.732 1.00 0.00 C ATOM 119 O PRO A 11 10.141 -3.531 7.430 1.00 0.00 O ATOM 120 CB PRO A 11 10.572 -2.602 4.241 1.00 0.00 C ATOM 121 CG PRO A 11 9.535 -3.611 3.887 1.00 0.00 C ATOM 122 CD PRO A 11 10.165 -4.954 4.128 1.00 0.00 C ATOM 0 HA PRO A 11 12.420 -2.969 5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.118 -1.661 4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.215 -2.380 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.642 -3.484 4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.227 -3.505 2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.431 -5.688 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.624 -5.351 3.223 1.00 0.00 H new ATOM 130 N ILE A 12 11.127 -1.536 7.092 1.00 0.00 N ATOM 131 CA ILE A 12 10.669 -0.973 8.356 1.00 0.00 C ATOM 132 C ILE A 12 10.184 0.461 8.175 1.00 0.00 C ATOM 133 O ILE A 12 10.174 0.988 7.063 1.00 0.00 O ATOM 134 CB ILE A 12 11.782 -0.996 9.420 1.00 0.00 C ATOM 135 CG1 ILE A 12 12.941 -0.092 8.996 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.270 -2.420 9.645 1.00 0.00 C ATOM 137 CD1 ILE A 12 13.978 0.109 10.079 1.00 0.00 C ATOM 0 H ILE A 12 11.689 -0.900 6.526 1.00 0.00 H new ATOM 0 HA ILE A 12 9.841 -1.595 8.696 1.00 0.00 H new ATOM 0 HB ILE A 12 11.375 -0.619 10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.423 -0.521 8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.544 0.879 8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.057 -2.420 10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.440 -3.039 9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.663 -2.822 8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.770 0.760 9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.510 0.567 10.950 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.403 -0.855 10.360 1.00 0.00 H new ATOM 149 N ASP A 13 9.784 1.088 9.276 1.00 0.00 N ATOM 150 CA ASP A 13 9.301 2.463 9.240 1.00 0.00 C ATOM 151 C ASP A 13 8.104 2.594 8.303 1.00 0.00 C ATOM 152 O ASP A 13 7.885 3.647 7.702 1.00 0.00 O ATOM 153 CB ASP A 13 10.418 3.408 8.796 1.00 0.00 C ATOM 154 CG ASP A 13 10.261 4.802 9.371 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.646 4.933 10.451 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.753 5.762 8.742 1.00 0.00 O ATOM 0 H ASP A 13 9.785 0.666 10.204 1.00 0.00 H new ATOM 0 HA ASP A 13 8.984 2.737 10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.380 2.998 9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.429 3.466 7.708 1.00 0.00 H new ATOM 161 N LEU A 14 7.334 1.519 8.182 1.00 0.00 N ATOM 162 CA LEU A 14 6.159 1.513 7.316 1.00 0.00 C ATOM 163 C LEU A 14 5.063 2.411 7.880 1.00 0.00 C ATOM 164 O LEU A 14 4.416 2.072 8.871 1.00 0.00 O ATOM 165 CB LEU A 14 5.631 0.087 7.150 1.00 0.00 C ATOM 166 CG LEU A 14 4.917 -0.215 5.833 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.866 -0.034 4.658 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.346 -1.626 5.847 1.00 0.00 C ATOM 0 H LEU A 14 7.501 0.640 8.672 1.00 0.00 H new ATOM 0 HA LEU A 14 6.454 1.900 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.468 -0.603 7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.943 -0.122 7.969 1.00 0.00 H new ATOM 0 HG LEU A 14 4.092 0.488 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.340 -0.253 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.227 0.994 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.712 -0.713 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.841 -1.824 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.154 -2.344 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.633 -1.722 6.666 1.00 0.00 H new ATOM 180 N VAL A 15 4.858 3.558 7.240 1.00 0.00 N ATOM 181 CA VAL A 15 3.838 4.505 7.675 1.00 0.00 C ATOM 182 C VAL A 15 3.214 5.226 6.485 1.00 0.00 C ATOM 183 O VAL A 15 3.763 5.218 5.383 1.00 0.00 O ATOM 184 CB VAL A 15 4.418 5.549 8.647 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.341 6.053 9.595 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.589 4.962 9.421 1.00 0.00 C ATOM 0 H VAL A 15 5.385 3.854 6.418 1.00 0.00 H new ATOM 0 HA VAL A 15 3.070 3.928 8.190 1.00 0.00 H new ATOM 0 HB VAL A 15 4.783 6.397 8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.770 6.790 10.274 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.537 6.513 9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.943 5.217 10.171 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.987 5.713 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.251 4.097 9.991 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.369 4.655 8.724 1.00 0.00 H new ATOM 196 N VAL A 16 2.063 5.849 6.716 1.00 0.00 N ATOM 197 CA VAL A 16 1.364 6.577 5.663 1.00 0.00 C ATOM 198 C VAL A 16 1.478 8.084 5.868 1.00 0.00 C ATOM 199 O VAL A 16 1.303 8.586 6.979 1.00 0.00 O ATOM 200 CB VAL A 16 -0.125 6.189 5.606 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.871 7.076 4.620 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.279 4.721 5.239 1.00 0.00 C ATOM 0 H VAL A 16 1.595 5.864 7.622 1.00 0.00 H new ATOM 0 HA VAL A 16 1.839 6.304 4.721 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.560 6.340 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.922 6.787 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.789 8.117 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.438 6.960 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.338 4.464 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.171 4.541 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.219 4.105 5.988 1.00 0.00 H new ATOM 212 N THR A 17 1.773 8.802 4.789 1.00 0.00 N ATOM 213 CA THR A 17 1.911 10.252 4.850 1.00 0.00 C ATOM 214 C THR A 17 0.751 10.944 4.144 1.00 0.00 C ATOM 215 O THR A 17 0.181 11.903 4.663 1.00 0.00 O ATOM 216 CB THR A 17 3.235 10.717 4.215 1.00 0.00 C ATOM 217 OG1 THR A 17 3.293 12.147 4.195 1.00 0.00 O ATOM 218 CG2 THR A 17 3.375 10.178 2.799 1.00 0.00 C ATOM 0 H THR A 17 1.921 8.403 3.862 1.00 0.00 H new ATOM 0 HA THR A 17 1.907 10.526 5.905 1.00 0.00 H new ATOM 0 HB THR A 17 4.057 10.329 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.138 12.434 3.791 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.318 10.520 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.360 9.088 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.547 10.539 2.189 1.00 0.00 H new ATOM 226 N GLU A 18 0.408 10.453 2.957 1.00 0.00 N ATOM 227 CA GLU A 18 -0.685 11.026 2.180 1.00 0.00 C ATOM 228 C GLU A 18 -1.728 9.965 1.843 1.00 0.00 C ATOM 229 O GLU A 18 -1.397 8.801 1.617 1.00 0.00 O ATOM 230 CB GLU A 18 -0.149 11.657 0.894 1.00 0.00 C ATOM 231 CG GLU A 18 0.295 13.100 1.062 1.00 0.00 C ATOM 232 CD GLU A 18 0.646 13.761 -0.257 1.00 0.00 C ATOM 233 OE1 GLU A 18 1.048 13.040 -1.194 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.517 15.000 -0.352 1.00 0.00 O ATOM 0 H GLU A 18 0.871 9.660 2.513 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.161 11.798 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.693 11.066 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.922 11.611 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.500 13.666 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.161 13.135 1.723 1.00 0.00 H new ATOM 241 N THR A 19 -2.992 10.376 1.811 1.00 0.00 N ATOM 242 CA THR A 19 -4.085 9.462 1.504 1.00 0.00 C ATOM 243 C THR A 19 -5.129 10.131 0.617 1.00 0.00 C ATOM 244 O THR A 19 -5.843 11.034 1.053 1.00 0.00 O ATOM 245 CB THR A 19 -4.769 8.952 2.787 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.733 9.966 3.797 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.087 7.693 3.300 1.00 0.00 C ATOM 0 H THR A 19 -3.284 11.336 1.994 1.00 0.00 H new ATOM 0 HA THR A 19 -3.649 8.616 0.973 1.00 0.00 H new ATOM 0 HB THR A 19 -5.806 8.713 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.171 9.635 4.609 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.587 7.352 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.142 6.914 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.042 7.910 3.522 1.00 0.00 H new ATOM 255 N THR A 20 -5.213 9.682 -0.632 1.00 0.00 N ATOM 256 CA THR A 20 -6.170 10.238 -1.581 1.00 0.00 C ATOM 257 C THR A 20 -7.438 9.395 -1.641 1.00 0.00 C ATOM 258 O THR A 20 -7.437 8.226 -1.255 1.00 0.00 O ATOM 259 CB THR A 20 -5.565 10.338 -2.994 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.144 10.491 -2.909 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.163 11.511 -3.756 1.00 0.00 C ATOM 0 H THR A 20 -4.630 8.935 -1.010 1.00 0.00 H new ATOM 0 HA THR A 20 -6.420 11.239 -1.229 1.00 0.00 H new ATOM 0 HB THR A 20 -5.799 9.419 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.800 10.835 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.721 11.562 -4.751 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.241 11.376 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.956 12.437 -3.219 1.00 0.00 H new ATOM 269 N ALA A 21 -8.519 9.995 -2.127 1.00 0.00 N ATOM 270 CA ALA A 21 -9.794 9.298 -2.241 1.00 0.00 C ATOM 271 C ALA A 21 -9.649 8.016 -3.054 1.00 0.00 C ATOM 272 O ALA A 21 -10.325 7.021 -2.793 1.00 0.00 O ATOM 273 CB ALA A 21 -10.840 10.208 -2.868 1.00 0.00 C ATOM 0 H ALA A 21 -8.537 10.963 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.121 9.025 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.787 9.674 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.973 11.093 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.510 10.510 -3.862 1.00 0.00 H new ATOM 279 N THR A 22 -8.762 8.047 -4.044 1.00 0.00 N ATOM 280 CA THR A 22 -8.529 6.889 -4.898 1.00 0.00 C ATOM 281 C THR A 22 -7.043 6.561 -4.986 1.00 0.00 C ATOM 282 O THR A 22 -6.609 5.838 -5.883 1.00 0.00 O ATOM 283 CB THR A 22 -9.078 7.119 -6.318 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.525 8.319 -6.869 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.596 7.213 -6.303 1.00 0.00 C ATOM 0 H THR A 22 -8.193 8.862 -4.274 1.00 0.00 H new ATOM 0 HA THR A 22 -9.057 6.050 -4.444 1.00 0.00 H new ATOM 0 HB THR A 22 -8.789 6.270 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.878 8.457 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.961 7.376 -7.317 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.014 6.286 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.903 8.045 -5.669 1.00 0.00 H new ATOM 293 N SER A 23 -6.266 7.097 -4.050 1.00 0.00 N ATOM 294 CA SER A 23 -4.827 6.863 -4.024 1.00 0.00 C ATOM 295 C SER A 23 -4.290 6.936 -2.598 1.00 0.00 C ATOM 296 O SER A 23 -4.986 7.375 -1.682 1.00 0.00 O ATOM 297 CB SER A 23 -4.107 7.886 -4.905 1.00 0.00 C ATOM 298 OG SER A 23 -4.923 8.286 -5.993 1.00 0.00 O ATOM 0 H SER A 23 -6.609 7.696 -3.299 1.00 0.00 H new ATOM 0 HA SER A 23 -4.640 5.862 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.837 8.758 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.178 7.457 -5.281 1.00 0.00 H new ATOM 0 HG SER A 23 -4.441 8.941 -6.540 1.00 0.00 H new ATOM 304 N VAL A 24 -3.046 6.503 -2.418 1.00 0.00 N ATOM 305 CA VAL A 24 -2.414 6.520 -1.104 1.00 0.00 C ATOM 306 C VAL A 24 -0.895 6.559 -1.226 1.00 0.00 C ATOM 307 O VAL A 24 -0.325 6.058 -2.196 1.00 0.00 O ATOM 308 CB VAL A 24 -2.819 5.290 -0.271 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.831 4.038 -1.136 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.883 5.118 0.916 1.00 0.00 C ATOM 0 H VAL A 24 -2.456 6.136 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.759 7.422 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.828 5.449 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.120 3.179 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.546 4.164 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.836 3.872 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.184 4.244 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.862 4.982 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.931 6.005 1.548 1.00 0.00 H new ATOM 320 N THR A 25 -0.242 7.158 -0.235 1.00 0.00 N ATOM 321 CA THR A 25 1.211 7.264 -0.231 1.00 0.00 C ATOM 322 C THR A 25 1.817 6.466 0.918 1.00 0.00 C ATOM 323 O THR A 25 1.379 6.576 2.064 1.00 0.00 O ATOM 324 CB THR A 25 1.668 8.731 -0.119 1.00 0.00 C ATOM 325 OG1 THR A 25 0.965 9.537 -1.071 1.00 0.00 O ATOM 326 CG2 THR A 25 3.166 8.851 -0.352 1.00 0.00 C ATOM 0 H THR A 25 -0.697 7.577 0.576 1.00 0.00 H new ATOM 0 HA THR A 25 1.560 6.854 -1.179 1.00 0.00 H new ATOM 0 HB THR A 25 1.445 9.082 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.531 10.289 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.465 9.896 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.699 8.260 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.410 8.483 -1.349 1.00 0.00 H new ATOM 334 N LEU A 26 2.828 5.662 0.605 1.00 0.00 N ATOM 335 CA LEU A 26 3.496 4.845 1.612 1.00 0.00 C ATOM 336 C LEU A 26 4.979 5.192 1.700 1.00 0.00 C ATOM 337 O LEU A 26 5.632 5.433 0.684 1.00 0.00 O ATOM 338 CB LEU A 26 3.326 3.360 1.287 1.00 0.00 C ATOM 339 CG LEU A 26 3.330 2.407 2.483 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.043 2.545 3.280 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.521 0.970 2.018 1.00 0.00 C ATOM 0 H LEU A 26 3.203 5.559 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 26 3.036 5.054 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.387 3.232 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.126 3.063 0.609 1.00 0.00 H new ATOM 0 HG LEU A 26 4.164 2.672 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.064 1.859 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.948 3.568 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.192 2.307 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.521 0.305 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.707 0.693 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.471 0.881 1.491 1.00 0.00 H new ATOM 353 N THR A 27 5.505 5.215 2.920 1.00 0.00 N ATOM 354 CA THR A 27 6.911 5.532 3.141 1.00 0.00 C ATOM 355 C THR A 27 7.552 4.542 4.106 1.00 0.00 C ATOM 356 O THR A 27 6.962 4.184 5.126 1.00 0.00 O ATOM 357 CB THR A 27 7.085 6.958 3.694 1.00 0.00 C ATOM 358 OG1 THR A 27 6.300 7.123 4.880 1.00 0.00 O ATOM 359 CG2 THR A 27 6.673 7.994 2.659 1.00 0.00 C ATOM 0 H THR A 27 4.979 5.018 3.771 1.00 0.00 H new ATOM 0 HA THR A 27 7.407 5.464 2.173 1.00 0.00 H new ATOM 0 HB THR A 27 8.138 7.105 3.933 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.418 8.032 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.805 8.994 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.292 7.885 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.626 7.846 2.393 1.00 0.00 H new ATOM 367 N TRP A 28 8.762 4.104 3.780 1.00 0.00 N ATOM 368 CA TRP A 28 9.484 3.155 4.620 1.00 0.00 C ATOM 369 C TRP A 28 10.991 3.333 4.472 1.00 0.00 C ATOM 370 O TRP A 28 11.454 4.137 3.662 1.00 0.00 O ATOM 371 CB TRP A 28 9.090 1.721 4.261 1.00 0.00 C ATOM 372 CG TRP A 28 9.480 1.330 2.867 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.600 0.645 2.492 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.751 1.601 1.665 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.612 0.475 1.128 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.488 1.051 0.598 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.547 2.253 1.387 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.060 1.136 -0.724 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.123 2.337 0.074 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.877 1.780 -0.968 1.00 0.00 C ATOM 0 H TRP A 28 9.264 4.391 2.940 1.00 0.00 H new ATOM 0 HA TRP A 28 9.214 3.349 5.658 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.558 1.035 4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.012 1.609 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.364 0.289 3.167 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.340 -0.003 0.597 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.958 2.684 2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.641 0.709 -1.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.195 2.840 -0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.518 1.860 -1.983 1.00 0.00 H new ATOM 391 N ASP A 29 11.752 2.580 5.258 1.00 0.00 N ATOM 392 CA ASP A 29 13.207 2.654 5.213 1.00 0.00 C ATOM 393 C ASP A 29 13.797 1.392 4.591 1.00 0.00 C ATOM 394 O ASP A 29 13.190 0.323 4.638 1.00 0.00 O ATOM 395 CB ASP A 29 13.773 2.856 6.619 1.00 0.00 C ATOM 396 CG ASP A 29 15.132 3.529 6.606 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.399 4.309 5.668 1.00 0.00 O ATOM 398 OD2 ASP A 29 15.928 3.275 7.534 1.00 0.00 O ATOM 0 H ASP A 29 11.385 1.911 5.935 1.00 0.00 H new ATOM 0 HA ASP A 29 13.483 3.507 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.078 3.459 7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.854 1.890 7.117 1.00 0.00 H new ATOM 403 N SER A 30 14.984 1.525 4.007 1.00 0.00 N ATOM 404 CA SER A 30 15.653 0.397 3.370 1.00 0.00 C ATOM 405 C SER A 30 15.571 -0.848 4.248 1.00 0.00 C ATOM 406 O SER A 30 15.185 -1.922 3.788 1.00 0.00 O ATOM 407 CB SER A 30 17.117 0.739 3.087 1.00 0.00 C ATOM 408 OG SER A 30 17.226 1.673 2.026 1.00 0.00 O ATOM 0 H SER A 30 15.502 2.403 3.962 1.00 0.00 H new ATOM 0 HA SER A 30 15.147 0.191 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.578 1.149 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.664 -0.169 2.834 1.00 0.00 H new ATOM 0 HG SER A 30 18.171 1.877 1.865 1.00 0.00 H new ATOM 414 N GLY A 31 15.939 -0.696 5.517 1.00 0.00 N ATOM 415 CA GLY A 31 15.900 -1.815 6.440 1.00 0.00 C ATOM 416 C GLY A 31 17.088 -2.743 6.276 1.00 0.00 C ATOM 417 O GLY A 31 17.666 -3.201 7.261 1.00 0.00 O ATOM 0 H GLY A 31 16.263 0.182 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.876 -1.438 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.979 -2.378 6.286 1.00 0.00 H new ATOM 421 N ASN A 32 17.453 -3.020 5.029 1.00 0.00 N ATOM 422 CA ASN A 32 18.579 -3.901 4.740 1.00 0.00 C ATOM 423 C ASN A 32 19.870 -3.102 4.588 1.00 0.00 C ATOM 424 O ASN A 32 19.855 -1.872 4.599 1.00 0.00 O ATOM 425 CB ASN A 32 18.310 -4.705 3.466 1.00 0.00 C ATOM 426 CG ASN A 32 17.364 -5.866 3.704 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.795 -6.996 3.936 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.066 -5.592 3.646 1.00 0.00 N ATOM 0 H ASN A 32 16.986 -2.647 4.202 1.00 0.00 H new ATOM 0 HA ASN A 32 18.695 -4.588 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.889 -4.047 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.253 -5.083 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.381 -6.333 3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.754 -4.641 3.451 1.00 0.00 H new ATOM 475 N VAL A 36 19.504 -4.534 -2.757 1.00 0.00 N ATOM 476 CA VAL A 36 18.623 -5.542 -3.334 1.00 0.00 C ATOM 477 C VAL A 36 18.161 -5.136 -4.729 1.00 0.00 C ATOM 478 O VAL A 36 18.357 -3.996 -5.153 1.00 0.00 O ATOM 479 CB VAL A 36 17.387 -5.783 -2.447 1.00 0.00 C ATOM 480 CG1 VAL A 36 17.808 -6.245 -1.060 1.00 0.00 C ATOM 481 CG2 VAL A 36 16.539 -4.523 -2.363 1.00 0.00 C ATOM 0 HA VAL A 36 19.200 -6.464 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 36 16.784 -6.570 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.922 -6.410 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 36 18.371 -7.174 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 36 18.433 -5.482 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.670 -4.711 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.131 -3.714 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.208 -4.240 -3.362 1.00 0.00 H new ATOM 491 N THR A 37 17.547 -6.076 -5.441 1.00 0.00 N ATOM 492 CA THR A 37 17.057 -5.816 -6.789 1.00 0.00 C ATOM 493 C THR A 37 15.938 -4.781 -6.778 1.00 0.00 C ATOM 494 O THR A 37 16.085 -3.688 -7.324 1.00 0.00 O ATOM 495 CB THR A 37 16.543 -7.105 -7.457 1.00 0.00 C ATOM 496 OG1 THR A 37 17.533 -8.135 -7.363 1.00 0.00 O ATOM 497 CG2 THR A 37 16.200 -6.857 -8.918 1.00 0.00 C ATOM 0 H THR A 37 17.377 -7.024 -5.106 1.00 0.00 H new ATOM 0 HA THR A 37 17.899 -5.429 -7.363 1.00 0.00 H new ATOM 0 HB THR A 37 15.640 -7.422 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.197 -8.951 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.839 -7.781 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.425 -6.094 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.090 -6.518 -9.448 1.00 0.00 H new ATOM 505 N TYR A 38 14.820 -5.133 -6.152 1.00 0.00 N ATOM 506 CA TYR A 38 13.675 -4.234 -6.072 1.00 0.00 C ATOM 507 C TYR A 38 12.786 -4.590 -4.884 1.00 0.00 C ATOM 508 O TYR A 38 12.977 -5.621 -4.237 1.00 0.00 O ATOM 509 CB TYR A 38 12.862 -4.293 -7.366 1.00 0.00 C ATOM 510 CG TYR A 38 12.089 -5.581 -7.538 1.00 0.00 C ATOM 511 CD1 TYR A 38 10.798 -5.711 -7.041 1.00 0.00 C ATOM 512 CD2 TYR A 38 12.649 -6.668 -8.198 1.00 0.00 C ATOM 513 CE1 TYR A 38 10.089 -6.886 -7.195 1.00 0.00 C ATOM 514 CE2 TYR A 38 11.946 -7.846 -8.358 1.00 0.00 C ATOM 515 CZ TYR A 38 10.667 -7.950 -7.855 1.00 0.00 C ATOM 516 OH TYR A 38 9.964 -9.123 -8.011 1.00 0.00 O ATOM 0 H TYR A 38 14.683 -6.034 -5.693 1.00 0.00 H new ATOM 0 HA TYR A 38 14.050 -3.220 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.165 -3.455 -7.385 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.535 -4.167 -8.214 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.341 -4.879 -6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 38 13.651 -6.590 -8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.087 -6.971 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.396 -8.681 -8.874 1.00 0.00 H new ATOM 0 HH TYR A 38 10.514 -9.771 -8.499 1.00 0.00 H new ATOM 526 N TYR A 39 11.813 -3.730 -4.603 1.00 0.00 N ATOM 527 CA TYR A 39 10.895 -3.951 -3.492 1.00 0.00 C ATOM 528 C TYR A 39 9.466 -4.131 -3.994 1.00 0.00 C ATOM 529 O TYR A 39 8.977 -3.346 -4.806 1.00 0.00 O ATOM 530 CB TYR A 39 10.958 -2.780 -2.510 1.00 0.00 C ATOM 531 CG TYR A 39 12.206 -2.773 -1.655 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.443 -2.454 -2.200 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.147 -3.088 -0.303 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.586 -2.447 -1.424 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.284 -3.082 0.481 1.00 0.00 C ATOM 536 CZ TYR A 39 14.501 -2.762 -0.083 1.00 0.00 C ATOM 537 OH TYR A 39 15.636 -2.756 0.695 1.00 0.00 O ATOM 0 H TYR A 39 11.640 -2.874 -5.129 1.00 0.00 H new ATOM 0 HA TYR A 39 11.199 -4.864 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.905 -1.845 -3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.083 -2.814 -1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.513 -2.207 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.196 -3.342 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.540 -2.197 -1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.220 -3.327 1.531 1.00 0.00 H new ATOM 0 HH TYR A 39 15.405 -2.490 1.609 1.00 0.00 H new ATOM 547 N GLY A 40 8.799 -5.171 -3.503 1.00 0.00 N ATOM 548 CA GLY A 40 7.432 -5.437 -3.912 1.00 0.00 C ATOM 549 C GLY A 40 6.416 -4.808 -2.980 1.00 0.00 C ATOM 550 O GLY A 40 6.759 -4.370 -1.882 1.00 0.00 O ATOM 0 H GLY A 40 9.181 -5.834 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.278 -5.058 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.270 -6.514 -3.948 1.00 0.00 H new ATOM 554 N ILE A 41 5.162 -4.763 -3.418 1.00 0.00 N ATOM 555 CA ILE A 41 4.093 -4.183 -2.615 1.00 0.00 C ATOM 556 C ILE A 41 2.813 -5.004 -2.727 1.00 0.00 C ATOM 557 O ILE A 41 2.408 -5.391 -3.823 1.00 0.00 O ATOM 558 CB ILE A 41 3.797 -2.731 -3.036 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.998 -1.834 -2.731 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.552 -2.218 -2.328 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.882 -0.447 -3.325 1.00 0.00 C ATOM 0 H ILE A 41 4.862 -5.121 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 41 4.436 -4.190 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 41 3.615 -2.709 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.113 -1.749 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.902 -2.309 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.356 -1.191 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.700 -2.845 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.707 -2.250 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.768 0.134 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.798 -0.521 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.996 0.047 -2.925 1.00 0.00 H new ATOM 573 N GLN A 42 2.182 -5.265 -1.587 1.00 0.00 N ATOM 574 CA GLN A 42 0.947 -6.039 -1.558 1.00 0.00 C ATOM 575 C GLN A 42 -0.124 -5.326 -0.739 1.00 0.00 C ATOM 576 O GLN A 42 0.115 -4.929 0.402 1.00 0.00 O ATOM 577 CB GLN A 42 1.206 -7.431 -0.979 1.00 0.00 C ATOM 578 CG GLN A 42 1.963 -8.351 -1.923 1.00 0.00 C ATOM 579 CD GLN A 42 2.712 -9.448 -1.192 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.494 -9.679 -0.003 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.602 -10.132 -1.903 1.00 0.00 N ATOM 0 H GLN A 42 2.505 -4.952 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 42 0.588 -6.140 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.771 -7.331 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.252 -7.892 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.262 -8.801 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.669 -7.763 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.751 -9.907 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.136 -10.882 -1.465 1.00 0.00 H new ATOM 590 N TYR A 43 -1.304 -5.167 -1.328 1.00 0.00 N ATOM 591 CA TYR A 43 -2.411 -4.499 -0.654 1.00 0.00 C ATOM 592 C TYR A 43 -3.749 -5.082 -1.096 1.00 0.00 C ATOM 593 O TYR A 43 -3.923 -5.457 -2.256 1.00 0.00 O ATOM 594 CB TYR A 43 -2.377 -2.996 -0.939 1.00 0.00 C ATOM 595 CG TYR A 43 -2.492 -2.656 -2.407 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.397 -2.770 -3.255 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.695 -2.219 -2.947 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.497 -2.460 -4.597 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.805 -1.908 -4.289 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.703 -2.029 -5.110 1.00 0.00 C ATOM 601 OH TYR A 43 -2.808 -1.719 -6.446 1.00 0.00 O ATOM 0 H TYR A 43 -1.519 -5.492 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.301 -4.661 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.191 -2.514 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.447 -2.582 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.451 -3.107 -2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.559 -2.121 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.636 -2.554 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.749 -1.572 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.724 -1.433 -6.644 1.00 0.00 H new ATOM 611 N ARG A 44 -4.693 -5.154 -0.163 1.00 0.00 N ATOM 612 CA ARG A 44 -6.016 -5.691 -0.455 1.00 0.00 C ATOM 613 C ARG A 44 -7.048 -5.164 0.539 1.00 0.00 C ATOM 614 O ARG A 44 -6.769 -5.038 1.731 1.00 0.00 O ATOM 615 CB ARG A 44 -5.990 -7.220 -0.415 1.00 0.00 C ATOM 616 CG ARG A 44 -7.341 -7.860 -0.689 1.00 0.00 C ATOM 617 CD ARG A 44 -7.532 -8.148 -2.170 1.00 0.00 C ATOM 618 NE ARG A 44 -8.942 -8.155 -2.548 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.627 -7.058 -2.854 1.00 0.00 C ATOM 620 NH1 ARG A 44 -9.034 -5.873 -2.826 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.908 -7.146 -3.189 1.00 0.00 N ATOM 0 H ARG A 44 -4.566 -4.847 0.801 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.300 -5.365 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.270 -7.582 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.636 -7.543 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.427 -8.788 -0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.135 -7.199 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.003 -7.397 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.087 -9.113 -2.412 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.428 -9.051 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.049 -5.801 -2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.562 -5.033 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.368 -8.056 -3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.433 -6.303 -3.424 1.00 0.00 H new ATOM 635 N ALA A 45 -8.241 -4.857 0.039 1.00 0.00 N ATOM 636 CA ALA A 45 -9.314 -4.345 0.882 1.00 0.00 C ATOM 637 C ALA A 45 -9.308 -5.022 2.248 1.00 0.00 C ATOM 638 O ALA A 45 -9.400 -6.245 2.346 1.00 0.00 O ATOM 639 CB ALA A 45 -10.660 -4.541 0.199 1.00 0.00 C ATOM 0 H ALA A 45 -8.488 -4.954 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.148 -3.278 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.453 -4.154 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.667 -4.006 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.825 -5.603 0.018 1.00 0.00 H new ATOM 732 N GLN A 53 -2.934 -7.922 -4.019 1.00 0.00 N ATOM 733 CA GLN A 53 -2.273 -7.362 -5.192 1.00 0.00 C ATOM 734 C GLN A 53 -0.764 -7.575 -5.120 1.00 0.00 C ATOM 735 O GLN A 53 -0.218 -7.850 -4.052 1.00 0.00 O ATOM 736 CB GLN A 53 -2.584 -5.869 -5.315 1.00 0.00 C ATOM 737 CG GLN A 53 -4.021 -5.579 -5.716 1.00 0.00 C ATOM 738 CD GLN A 53 -4.462 -6.377 -6.927 1.00 0.00 C ATOM 739 OE1 GLN A 53 -3.647 -6.742 -7.775 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.758 -6.654 -7.014 1.00 0.00 N ATOM 0 HA GLN A 53 -2.653 -7.879 -6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.376 -5.383 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.913 -5.426 -6.051 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.680 -5.804 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.127 -4.515 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.398 -6.332 -6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.113 -7.189 -7.806 1.00 0.00 H new ATOM 749 N GLU A 54 -0.098 -7.446 -6.263 1.00 0.00 N ATOM 750 CA GLU A 54 1.347 -7.625 -6.328 1.00 0.00 C ATOM 751 C GLU A 54 1.979 -6.610 -7.276 1.00 0.00 C ATOM 752 O GLU A 54 1.716 -6.619 -8.479 1.00 0.00 O ATOM 753 CB GLU A 54 1.687 -9.046 -6.784 1.00 0.00 C ATOM 754 CG GLU A 54 3.096 -9.482 -6.418 1.00 0.00 C ATOM 755 CD GLU A 54 3.583 -10.646 -7.260 1.00 0.00 C ATOM 756 OE1 GLU A 54 3.272 -10.674 -8.469 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.275 -11.528 -6.709 1.00 0.00 O ATOM 0 H GLU A 54 -0.536 -7.218 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 54 1.753 -7.465 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.974 -9.741 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.565 -9.111 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.777 -8.640 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.124 -9.763 -5.365 1.00 0.00 H new ATOM 764 N VAL A 55 2.815 -5.735 -6.726 1.00 0.00 N ATOM 765 CA VAL A 55 3.486 -4.714 -7.521 1.00 0.00 C ATOM 766 C VAL A 55 5.001 -4.862 -7.441 1.00 0.00 C ATOM 767 O VAL A 55 5.571 -4.930 -6.352 1.00 0.00 O ATOM 768 CB VAL A 55 3.094 -3.297 -7.061 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.802 -2.247 -7.903 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.585 -3.115 -7.125 1.00 0.00 C ATOM 0 H VAL A 55 3.044 -5.713 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 55 3.165 -4.855 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 55 3.409 -3.170 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.513 -1.253 -7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.881 -2.366 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.521 -2.369 -8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.326 -2.109 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.244 -3.261 -8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.103 -3.844 -6.474 1.00 0.00 H new ATOM 780 N ASP A 56 5.648 -4.910 -8.600 1.00 0.00 N ATOM 781 CA ASP A 56 7.098 -5.048 -8.661 1.00 0.00 C ATOM 782 C ASP A 56 7.720 -3.902 -9.453 1.00 0.00 C ATOM 783 O ASP A 56 7.114 -3.379 -10.388 1.00 0.00 O ATOM 784 CB ASP A 56 7.478 -6.387 -9.295 1.00 0.00 C ATOM 785 CG ASP A 56 7.180 -6.430 -10.781 1.00 0.00 C ATOM 786 OD1 ASP A 56 6.246 -5.726 -11.219 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.880 -7.167 -11.506 1.00 0.00 O ATOM 0 H ASP A 56 5.191 -4.855 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 56 7.485 -5.014 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.540 -6.573 -9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.935 -7.189 -8.795 1.00 0.00 H new ATOM 792 N GLY A 57 8.933 -3.515 -9.071 1.00 0.00 N ATOM 793 CA GLY A 57 9.617 -2.433 -9.755 1.00 0.00 C ATOM 794 C GLY A 57 9.651 -1.159 -8.934 1.00 0.00 C ATOM 795 O GLY A 57 9.457 -0.065 -9.464 1.00 0.00 O ATOM 0 H GLY A 57 9.455 -3.932 -8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.637 -2.740 -9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.120 -2.236 -10.705 1.00 0.00 H new ATOM 799 N VAL A 58 9.897 -1.300 -7.636 1.00 0.00 N ATOM 800 CA VAL A 58 9.956 -0.151 -6.739 1.00 0.00 C ATOM 801 C VAL A 58 11.334 -0.024 -6.099 1.00 0.00 C ATOM 802 O VAL A 58 11.562 -0.509 -4.991 1.00 0.00 O ATOM 803 CB VAL A 58 8.893 -0.251 -5.629 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.923 0.989 -4.748 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.511 -0.453 -6.232 1.00 0.00 C ATOM 0 H VAL A 58 10.059 -2.199 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 58 9.757 0.734 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 58 9.123 -1.116 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.165 0.901 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.907 1.085 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.719 1.871 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.772 -0.522 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.269 0.391 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.500 -1.373 -6.817 1.00 0.00 H new ATOM 815 N ALA A 59 12.249 0.633 -6.804 1.00 0.00 N ATOM 816 CA ALA A 59 13.604 0.827 -6.303 1.00 0.00 C ATOM 817 C ALA A 59 13.708 2.108 -5.483 1.00 0.00 C ATOM 818 O ALA A 59 14.760 2.748 -5.442 1.00 0.00 O ATOM 819 CB ALA A 59 14.595 0.855 -7.458 1.00 0.00 C ATOM 0 H ALA A 59 12.077 1.040 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 59 13.847 -0.012 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.603 1.001 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.548 -0.089 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.345 1.674 -8.133 1.00 0.00 H new ATOM 825 N THR A 60 12.611 2.479 -4.832 1.00 0.00 N ATOM 826 CA THR A 60 12.578 3.686 -4.014 1.00 0.00 C ATOM 827 C THR A 60 12.023 3.394 -2.625 1.00 0.00 C ATOM 828 O THR A 60 11.457 2.328 -2.382 1.00 0.00 O ATOM 829 CB THR A 60 11.728 4.788 -4.674 1.00 0.00 C ATOM 830 OG1 THR A 60 10.535 4.222 -5.228 1.00 0.00 O ATOM 831 CG2 THR A 60 12.514 5.497 -5.767 1.00 0.00 C ATOM 0 H THR A 60 11.733 1.961 -4.855 1.00 0.00 H new ATOM 0 HA THR A 60 13.606 4.036 -3.924 1.00 0.00 H new ATOM 0 HB THR A 60 11.462 5.517 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.000 4.930 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.893 6.271 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.406 5.953 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.807 4.776 -6.530 1.00 0.00 H new ATOM 839 N THR A 61 12.187 4.349 -1.715 1.00 0.00 N ATOM 840 CA THR A 61 11.702 4.194 -0.349 1.00 0.00 C ATOM 841 C THR A 61 10.366 4.901 -0.156 1.00 0.00 C ATOM 842 O THR A 61 9.954 5.175 0.971 1.00 0.00 O ATOM 843 CB THR A 61 12.714 4.745 0.673 1.00 0.00 C ATOM 844 OG1 THR A 61 13.062 6.094 0.338 1.00 0.00 O ATOM 845 CG2 THR A 61 13.969 3.887 0.709 1.00 0.00 C ATOM 0 H THR A 61 12.652 5.238 -1.899 1.00 0.00 H new ATOM 0 HA THR A 61 11.572 3.125 -0.180 1.00 0.00 H new ATOM 0 HB THR A 61 12.250 4.723 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.704 6.438 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.669 4.296 1.438 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.705 2.868 0.992 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.434 3.881 -0.277 1.00 0.00 H new ATOM 853 N ARG A 62 9.692 5.195 -1.263 1.00 0.00 N ATOM 854 CA ARG A 62 8.401 5.872 -1.216 1.00 0.00 C ATOM 855 C ARG A 62 7.577 5.559 -2.461 1.00 0.00 C ATOM 856 O ARG A 62 7.966 5.903 -3.578 1.00 0.00 O ATOM 857 CB ARG A 62 8.599 7.383 -1.087 1.00 0.00 C ATOM 858 CG ARG A 62 7.297 8.160 -0.982 1.00 0.00 C ATOM 859 CD ARG A 62 7.481 9.452 -0.200 1.00 0.00 C ATOM 860 NE ARG A 62 8.156 10.478 -0.990 1.00 0.00 N ATOM 861 CZ ARG A 62 7.559 11.178 -1.949 1.00 0.00 C ATOM 862 NH1 ARG A 62 6.282 10.963 -2.235 1.00 0.00 N ATOM 863 NH2 ARG A 62 8.240 12.095 -2.624 1.00 0.00 N ATOM 0 H ARG A 62 10.018 4.975 -2.204 1.00 0.00 H new ATOM 0 HA ARG A 62 7.859 5.508 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.207 7.588 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.159 7.743 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.926 8.388 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.542 7.543 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.508 9.823 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.059 9.251 0.702 1.00 0.00 H new ATOM 0 HE ARG A 62 9.139 10.668 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.755 10.259 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.827 11.502 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.222 12.263 -2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.781 12.632 -3.360 1.00 0.00 H new ATOM 877 N TYR A 63 6.438 4.906 -2.262 1.00 0.00 N ATOM 878 CA TYR A 63 5.560 4.545 -3.369 1.00 0.00 C ATOM 879 C TYR A 63 4.099 4.790 -3.008 1.00 0.00 C ATOM 880 O TYR A 63 3.702 4.655 -1.850 1.00 0.00 O ATOM 881 CB TYR A 63 5.763 3.077 -3.750 1.00 0.00 C ATOM 882 CG TYR A 63 4.881 2.620 -4.889 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.294 2.751 -6.210 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.634 2.058 -4.646 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.491 2.335 -7.254 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.825 1.638 -5.684 1.00 0.00 C ATOM 887 CZ TYR A 63 3.258 1.779 -6.986 1.00 0.00 C ATOM 888 OH TYR A 63 2.454 1.363 -8.023 1.00 0.00 O ATOM 0 H TYR A 63 6.101 4.616 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 63 5.815 5.174 -4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.806 2.923 -4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.568 2.454 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.259 3.186 -6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.291 1.948 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.827 2.445 -8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.859 1.202 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 63 1.621 0.994 -7.663 1.00 0.00 H new ATOM 898 N SER A 64 3.301 5.151 -4.008 1.00 0.00 N ATOM 899 CA SER A 64 1.884 5.419 -3.797 1.00 0.00 C ATOM 900 C SER A 64 1.022 4.385 -4.515 1.00 0.00 C ATOM 901 O SER A 64 1.365 3.925 -5.605 1.00 0.00 O ATOM 902 CB SER A 64 1.530 6.824 -4.289 1.00 0.00 C ATOM 903 OG SER A 64 1.553 6.890 -5.704 1.00 0.00 O ATOM 0 H SER A 64 3.612 5.265 -4.973 1.00 0.00 H new ATOM 0 HA SER A 64 1.683 5.354 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.541 7.102 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.235 7.545 -3.877 1.00 0.00 H new ATOM 0 HG SER A 64 1.322 7.797 -5.993 1.00 0.00 H new ATOM 909 N ILE A 65 -0.097 4.024 -3.897 1.00 0.00 N ATOM 910 CA ILE A 65 -1.008 3.045 -4.476 1.00 0.00 C ATOM 911 C ILE A 65 -2.284 3.711 -4.977 1.00 0.00 C ATOM 912 O ILE A 65 -2.870 4.549 -4.293 1.00 0.00 O ATOM 913 CB ILE A 65 -1.379 1.949 -3.459 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.121 1.225 -2.975 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.359 0.963 -4.077 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.510 1.859 -1.755 1.00 0.00 C ATOM 0 H ILE A 65 -0.395 4.395 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.486 2.587 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.859 2.418 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.373 0.189 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.610 1.205 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.612 0.195 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.265 1.490 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.904 0.497 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.396 1.293 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.794 2.886 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.205 1.855 -0.932 1.00 0.00 H new ATOM 928 N GLY A 66 -2.713 3.331 -6.177 1.00 0.00 N ATOM 929 CA GLY A 66 -3.919 3.900 -6.749 1.00 0.00 C ATOM 930 C GLY A 66 -4.885 2.839 -7.238 1.00 0.00 C ATOM 931 O GLY A 66 -4.533 1.665 -7.333 1.00 0.00 O ATOM 0 H GLY A 66 -2.246 2.639 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.414 4.521 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.651 4.553 -7.579 1.00 0.00 H new ATOM 935 N GLY A 67 -6.110 3.254 -7.549 1.00 0.00 N ATOM 936 CA GLY A 67 -7.111 2.319 -8.025 1.00 0.00 C ATOM 937 C GLY A 67 -7.993 1.795 -6.909 1.00 0.00 C ATOM 938 O GLY A 67 -8.668 0.777 -7.066 1.00 0.00 O ATOM 0 H GLY A 67 -6.426 4.221 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.732 2.808 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.616 1.481 -8.517 1.00 0.00 H new ATOM 942 N LEU A 68 -7.987 2.491 -5.777 1.00 0.00 N ATOM 943 CA LEU A 68 -8.792 2.089 -4.628 1.00 0.00 C ATOM 944 C LEU A 68 -10.083 2.899 -4.558 1.00 0.00 C ATOM 945 O LEU A 68 -10.271 3.852 -5.314 1.00 0.00 O ATOM 946 CB LEU A 68 -7.994 2.267 -3.335 1.00 0.00 C ATOM 947 CG LEU A 68 -6.553 1.756 -3.360 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.768 2.314 -2.183 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.527 0.234 -3.347 1.00 0.00 C ATOM 0 H LEU A 68 -7.434 3.336 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.051 1.037 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.978 3.328 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.525 1.758 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.082 2.100 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.745 1.939 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.758 3.403 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.238 2.000 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.494 -0.112 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.016 -0.131 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.053 -0.146 -4.223 1.00 0.00 H new ATOM 961 N SER A 69 -10.968 2.513 -3.645 1.00 0.00 N ATOM 962 CA SER A 69 -12.242 3.202 -3.476 1.00 0.00 C ATOM 963 C SER A 69 -12.178 4.187 -2.313 1.00 0.00 C ATOM 964 O SER A 69 -11.482 3.970 -1.320 1.00 0.00 O ATOM 965 CB SER A 69 -13.366 2.190 -3.242 1.00 0.00 C ATOM 966 OG SER A 69 -13.830 1.651 -4.467 1.00 0.00 O ATOM 0 H SER A 69 -10.826 1.727 -3.011 1.00 0.00 H new ATOM 0 HA SER A 69 -12.449 3.760 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.007 1.386 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.191 2.673 -2.718 1.00 0.00 H new ATOM 0 HG SER A 69 -14.546 1.006 -4.290 1.00 0.00 H new ATOM 972 N PRO A 70 -12.921 5.297 -2.436 1.00 0.00 N ATOM 973 CA PRO A 70 -12.966 6.337 -1.405 1.00 0.00 C ATOM 974 C PRO A 70 -13.691 5.875 -0.146 1.00 0.00 C ATOM 975 O PRO A 70 -14.716 5.197 -0.221 1.00 0.00 O ATOM 976 CB PRO A 70 -13.740 7.472 -2.081 1.00 0.00 C ATOM 977 CG PRO A 70 -14.576 6.799 -3.113 1.00 0.00 C ATOM 978 CD PRO A 70 -13.774 5.621 -3.592 1.00 0.00 C ATOM 0 HA PRO A 70 -11.969 6.622 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.357 8.013 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.064 8.199 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.529 6.477 -2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.802 7.478 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.415 4.783 -3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.181 5.870 -4.472 1.00 0.00 H new ATOM 986 N PHE A 71 -13.153 6.245 1.011 1.00 0.00 N ATOM 987 CA PHE A 71 -13.749 5.867 2.288 1.00 0.00 C ATOM 988 C PHE A 71 -13.635 4.363 2.517 1.00 0.00 C ATOM 989 O PHE A 71 -14.556 3.732 3.035 1.00 0.00 O ATOM 990 CB PHE A 71 -15.218 6.292 2.334 1.00 0.00 C ATOM 991 CG PHE A 71 -15.706 6.610 3.719 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.082 7.585 4.480 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.789 5.936 4.258 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.529 7.880 5.755 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.241 6.226 5.532 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.610 7.200 6.281 1.00 0.00 C ATOM 0 H PHE A 71 -12.305 6.806 1.091 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.205 6.379 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.355 7.167 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.832 5.495 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.237 8.121 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.287 5.174 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.033 8.641 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.086 5.692 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.961 7.429 7.276 1.00 0.00 H new ATOM 1006 N SER A 72 -12.498 3.795 2.126 1.00 0.00 N ATOM 1007 CA SER A 72 -12.264 2.365 2.284 1.00 0.00 C ATOM 1008 C SER A 72 -10.958 2.107 3.028 1.00 0.00 C ATOM 1009 O SER A 72 -10.070 2.958 3.057 1.00 0.00 O ATOM 1010 CB SER A 72 -12.230 1.678 0.918 1.00 0.00 C ATOM 1011 OG SER A 72 -11.027 1.971 0.229 1.00 0.00 O ATOM 0 H SER A 72 -11.725 4.304 1.698 1.00 0.00 H new ATOM 0 HA SER A 72 -13.084 1.951 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.325 0.600 1.047 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.083 2.004 0.322 1.00 0.00 H new ATOM 0 HG SER A 72 -11.234 2.449 -0.601 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.849 0.926 3.629 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.652 0.556 4.375 1.00 0.00 C ATOM 1019 C GLU A 73 -8.855 -0.511 3.629 1.00 0.00 C ATOM 1020 O GLU A 73 -9.420 -1.475 3.112 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.029 0.046 5.767 1.00 0.00 C ATOM 1022 CG GLU A 73 -8.945 0.267 6.810 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.367 -0.184 8.194 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -9.815 -1.342 8.331 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.249 0.621 9.142 1.00 0.00 O ATOM 0 H GLU A 73 -11.575 0.210 3.614 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.030 1.445 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.942 0.545 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.252 -1.019 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.046 -0.274 6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.685 1.325 6.840 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.540 -0.330 3.577 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.665 -1.274 2.893 1.00 0.00 C ATOM 1034 C TYR A 74 -5.410 -1.548 3.715 1.00 0.00 C ATOM 1035 O TYR A 74 -4.918 -0.674 4.428 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.278 -0.736 1.515 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.290 -1.050 0.436 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.396 -0.233 0.235 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.141 -2.163 -0.382 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.324 -0.516 -0.749 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.063 -2.453 -1.369 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.152 -1.627 -1.548 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.074 -1.913 -2.530 1.00 0.00 O ATOM 0 H TYR A 74 -7.057 0.462 4.001 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.209 -2.211 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.151 0.345 1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.313 -1.154 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.533 0.638 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.290 -2.813 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.179 0.129 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.931 -3.322 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.806 -2.728 -3.003 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.896 -2.769 3.610 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.697 -3.159 4.341 1.00 0.00 C ATOM 1055 C ALA A 75 -2.485 -3.217 3.417 1.00 0.00 C ATOM 1056 O ALA A 75 -2.413 -4.060 2.523 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.908 -4.503 5.022 1.00 0.00 C ATOM 0 H ALA A 75 -5.292 -3.505 3.025 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.504 -2.404 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.005 -4.782 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.742 -4.430 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.129 -5.261 4.270 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.535 -2.314 3.638 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.326 -2.261 2.824 1.00 0.00 C ATOM 1065 C PHE A 76 0.831 -2.970 3.521 1.00 0.00 C ATOM 1066 O PHE A 76 0.868 -3.060 4.748 1.00 0.00 O ATOM 1067 CB PHE A 76 0.053 -0.808 2.530 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.024 -0.040 1.820 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -2.026 0.597 2.535 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.035 0.048 0.437 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -3.019 1.304 1.884 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.025 0.754 -0.219 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.018 1.384 0.505 1.00 0.00 C ATOM 0 H PHE A 76 -1.579 -1.609 4.374 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.528 -2.774 1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.288 -0.305 3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.959 -0.793 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.031 0.540 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.260 -0.441 -0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.795 1.794 2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.022 0.813 -1.297 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.792 1.938 -0.006 1.00 0.00 H new ATOM 1083 N ARG A 77 1.773 -3.471 2.729 1.00 0.00 N ATOM 1084 CA ARG A 77 2.931 -4.174 3.270 1.00 0.00 C ATOM 1085 C ARG A 77 4.036 -4.286 2.224 1.00 0.00 C ATOM 1086 O ARG A 77 3.851 -4.900 1.173 1.00 0.00 O ATOM 1087 CB ARG A 77 2.529 -5.568 3.753 1.00 0.00 C ATOM 1088 CG ARG A 77 1.832 -6.403 2.691 1.00 0.00 C ATOM 1089 CD ARG A 77 1.322 -7.717 3.262 1.00 0.00 C ATOM 1090 NE ARG A 77 0.512 -8.455 2.297 1.00 0.00 N ATOM 1091 CZ ARG A 77 0.136 -9.718 2.466 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.496 -10.380 3.557 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -0.601 -10.322 1.542 1.00 0.00 N ATOM 0 H ARG A 77 1.758 -3.404 1.711 1.00 0.00 H new ATOM 0 HA ARG A 77 3.310 -3.600 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.420 -6.097 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.870 -5.468 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.999 -5.839 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.524 -6.604 1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.168 -8.331 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.730 -7.519 4.156 1.00 0.00 H new ATOM 0 HE ARG A 77 0.219 -7.974 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.063 -9.920 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.206 -11.350 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.879 -9.816 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.889 -11.292 1.673 1.00 0.00 H new ATOM 1107 N VAL A 78 5.186 -3.687 2.518 1.00 0.00 N ATOM 1108 CA VAL A 78 6.321 -3.719 1.604 1.00 0.00 C ATOM 1109 C VAL A 78 7.247 -4.888 1.919 1.00 0.00 C ATOM 1110 O VAL A 78 7.404 -5.276 3.078 1.00 0.00 O ATOM 1111 CB VAL A 78 7.128 -2.409 1.664 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.195 -2.388 0.580 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.203 -1.208 1.536 1.00 0.00 C ATOM 0 H VAL A 78 5.356 -3.173 3.383 1.00 0.00 H new ATOM 0 HA VAL A 78 5.915 -3.841 0.600 1.00 0.00 H new ATOM 0 HB VAL A 78 7.627 -2.354 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.755 -1.455 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.875 -3.228 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.721 -2.466 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.790 -0.290 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.675 -1.255 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.481 -1.217 2.352 1.00 0.00 H new ATOM 1123 N LEU A 79 7.860 -5.447 0.882 1.00 0.00 N ATOM 1124 CA LEU A 79 8.773 -6.573 1.047 1.00 0.00 C ATOM 1125 C LEU A 79 9.965 -6.451 0.104 1.00 0.00 C ATOM 1126 O LEU A 79 9.803 -6.185 -1.086 1.00 0.00 O ATOM 1127 CB LEU A 79 8.040 -7.891 0.793 1.00 0.00 C ATOM 1128 CG LEU A 79 7.408 -8.051 -0.591 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.464 -8.423 -1.620 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.304 -9.098 -0.555 1.00 0.00 C ATOM 0 H LEU A 79 7.741 -5.139 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 79 9.142 -6.562 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.743 -8.710 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.256 -7.998 1.543 1.00 0.00 H new ATOM 0 HG LEU A 79 6.968 -7.097 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.996 -8.533 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.220 -7.639 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.934 -9.364 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.866 -9.199 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.721 -10.056 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.534 -8.790 0.152 1.00 0.00 H new ATOM 1142 N ALA A 80 11.163 -6.649 0.644 1.00 0.00 N ATOM 1143 CA ALA A 80 12.383 -6.565 -0.150 1.00 0.00 C ATOM 1144 C ALA A 80 12.530 -7.780 -1.059 1.00 0.00 C ATOM 1145 O ALA A 80 12.175 -8.897 -0.683 1.00 0.00 O ATOM 1146 CB ALA A 80 13.596 -6.433 0.759 1.00 0.00 C ATOM 0 H ALA A 80 11.315 -6.869 1.628 1.00 0.00 H new ATOM 0 HA ALA A 80 12.317 -5.678 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.500 -6.371 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.502 -5.530 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.657 -7.303 1.413 1.00 0.00 H new ATOM 1152 N VAL A 81 13.055 -7.555 -2.260 1.00 0.00 N ATOM 1153 CA VAL A 81 13.250 -8.631 -3.223 1.00 0.00 C ATOM 1154 C VAL A 81 14.629 -8.549 -3.868 1.00 0.00 C ATOM 1155 O VAL A 81 15.153 -7.460 -4.099 1.00 0.00 O ATOM 1156 CB VAL A 81 12.176 -8.598 -4.327 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.238 -9.861 -5.171 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.793 -8.420 -3.719 1.00 0.00 C ATOM 0 H VAL A 81 13.353 -6.636 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 81 13.165 -9.568 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 81 12.374 -7.746 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.472 -9.819 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.220 -9.940 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.066 -10.731 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.046 -8.399 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.582 -9.250 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.758 -7.483 -3.163 1.00 0.00 H new ATOM 1168 N ASN A 82 15.211 -9.708 -4.157 1.00 0.00 N ATOM 1169 CA ASN A 82 16.530 -9.768 -4.776 1.00 0.00 C ATOM 1170 C ASN A 82 16.657 -10.997 -5.671 1.00 0.00 C ATOM 1171 O ASN A 82 15.706 -11.763 -5.829 1.00 0.00 O ATOM 1172 CB ASN A 82 17.620 -9.790 -3.702 1.00 0.00 C ATOM 1173 CG ASN A 82 17.638 -11.092 -2.925 1.00 0.00 C ATOM 1174 OD1 ASN A 82 17.228 -12.137 -3.432 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.116 -11.035 -1.687 1.00 0.00 N ATOM 0 H ASN A 82 14.790 -10.619 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 82 16.655 -8.878 -5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.592 -9.636 -4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.464 -8.960 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.154 -11.879 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.445 -10.147 -1.308 1.00 0.00 H new ATOM 1182 N SER A 83 17.837 -11.180 -6.253 1.00 0.00 N ATOM 1183 CA SER A 83 18.088 -12.314 -7.135 1.00 0.00 C ATOM 1184 C SER A 83 17.653 -13.620 -6.476 1.00 0.00 C ATOM 1185 O SER A 83 17.115 -14.510 -7.135 1.00 0.00 O ATOM 1186 CB SER A 83 19.571 -12.384 -7.502 1.00 0.00 C ATOM 1187 OG SER A 83 19.849 -11.604 -8.652 1.00 0.00 O ATOM 0 H SER A 83 18.635 -10.557 -6.130 1.00 0.00 H new ATOM 0 HA SER A 83 17.503 -12.173 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.173 -12.031 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.855 -13.420 -7.684 1.00 0.00 H new ATOM 0 HG SER A 83 20.804 -11.664 -8.865 1.00 0.00 H new ATOM 1193 N ILE A 84 17.890 -13.725 -5.173 1.00 0.00 N ATOM 1194 CA ILE A 84 17.523 -14.921 -4.425 1.00 0.00 C ATOM 1195 C ILE A 84 16.012 -15.124 -4.420 1.00 0.00 C ATOM 1196 O ILE A 84 15.518 -16.202 -4.751 1.00 0.00 O ATOM 1197 CB ILE A 84 18.024 -14.851 -2.970 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.437 -14.266 -2.922 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.995 -16.232 -2.333 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.291 -14.650 -4.110 1.00 0.00 C ATOM 0 H ILE A 84 18.334 -12.997 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 84 17.999 -15.764 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 84 17.361 -14.197 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.370 -13.179 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.929 -14.600 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.352 -16.166 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.974 -16.614 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.638 -16.907 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.279 -14.200 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.389 -15.735 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 84 19.822 -14.292 -5.026 1.00 0.00 H new ATOM 1212 N GLY A 85 15.280 -14.079 -4.045 1.00 0.00 N ATOM 1213 CA GLY A 85 13.832 -14.162 -4.007 1.00 0.00 C ATOM 1214 C GLY A 85 13.215 -13.119 -3.095 1.00 0.00 C ATOM 1215 O GLY A 85 13.924 -12.431 -2.360 1.00 0.00 O ATOM 0 H GLY A 85 15.665 -13.176 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.437 -14.038 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.537 -15.156 -3.670 1.00 0.00 H new ATOM 1219 N ARG A 86 11.893 -13.001 -3.144 1.00 0.00 N ATOM 1220 CA ARG A 86 11.181 -12.033 -2.318 1.00 0.00 C ATOM 1221 C ARG A 86 11.106 -12.505 -0.869 1.00 0.00 C ATOM 1222 O ARG A 86 10.750 -13.650 -0.596 1.00 0.00 O ATOM 1223 CB ARG A 86 9.771 -11.803 -2.865 1.00 0.00 C ATOM 1224 CG ARG A 86 8.940 -13.073 -2.959 1.00 0.00 C ATOM 1225 CD ARG A 86 7.535 -12.782 -3.462 1.00 0.00 C ATOM 1226 NE ARG A 86 6.666 -13.952 -3.363 1.00 0.00 N ATOM 1227 CZ ARG A 86 6.606 -14.904 -4.288 1.00 0.00 C ATOM 1228 NH1 ARG A 86 7.362 -14.825 -5.374 1.00 0.00 N ATOM 1229 NH2 ARG A 86 5.790 -15.938 -4.126 1.00 0.00 N ATOM 0 H ARG A 86 11.293 -13.564 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 86 11.732 -11.093 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.254 -11.087 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.843 -11.352 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.429 -13.780 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.886 -13.547 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.106 -11.962 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.582 -12.452 -4.500 1.00 0.00 H new ATOM 0 HE ARG A 86 6.073 -14.043 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.991 -14.032 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.314 -15.557 -6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.208 -16.002 -3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.745 -16.668 -4.837 1.00 0.00 H new ATOM 1243 N GLY A 87 11.445 -11.613 0.057 1.00 0.00 N ATOM 1244 CA GLY A 87 11.410 -11.957 1.466 1.00 0.00 C ATOM 1245 C GLY A 87 10.044 -11.732 2.084 1.00 0.00 C ATOM 1246 O GLY A 87 9.074 -11.413 1.398 1.00 0.00 O ATOM 0 H GLY A 87 11.743 -10.658 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.693 -13.002 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.150 -11.361 2.001 1.00 0.00 H new ATOM 1250 N PRO A 88 9.956 -11.902 3.412 1.00 0.00 N ATOM 1251 CA PRO A 88 8.703 -11.722 4.152 1.00 0.00 C ATOM 1252 C PRO A 88 8.270 -10.261 4.211 1.00 0.00 C ATOM 1253 O PRO A 88 9.092 -9.345 4.213 1.00 0.00 O ATOM 1254 CB PRO A 88 9.041 -12.237 5.553 1.00 0.00 C ATOM 1255 CG PRO A 88 10.516 -12.067 5.673 1.00 0.00 C ATOM 1256 CD PRO A 88 11.073 -12.283 4.293 1.00 0.00 C ATOM 0 HA PRO A 88 7.872 -12.246 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.513 -11.671 6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.752 -13.281 5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.765 -11.072 6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.935 -12.784 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.954 -11.667 4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.372 -13.320 4.138 1.00 0.00 H new ATOM 1264 N PRO A 89 6.949 -10.036 4.262 1.00 0.00 N ATOM 1265 CA PRO A 89 6.377 -8.688 4.324 1.00 0.00 C ATOM 1266 C PRO A 89 6.644 -8.006 5.661 1.00 0.00 C ATOM 1267 O PRO A 89 6.873 -8.670 6.672 1.00 0.00 O ATOM 1268 CB PRO A 89 4.877 -8.930 4.136 1.00 0.00 C ATOM 1269 CG PRO A 89 4.657 -10.326 4.606 1.00 0.00 C ATOM 1270 CD PRO A 89 5.911 -11.081 4.263 1.00 0.00 C ATOM 0 HA PRO A 89 6.812 -8.026 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.286 -8.220 4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.585 -8.813 3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.468 -10.351 5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.789 -10.770 4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.125 -11.859 4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.833 -11.570 3.292 1.00 0.00 H new ATOM 1278 N SER A 90 6.611 -6.677 5.660 1.00 0.00 N ATOM 1279 CA SER A 90 6.853 -5.906 6.873 1.00 0.00 C ATOM 1280 C SER A 90 5.566 -5.738 7.676 1.00 0.00 C ATOM 1281 O SER A 90 4.494 -6.162 7.244 1.00 0.00 O ATOM 1282 CB SER A 90 7.431 -4.533 6.524 1.00 0.00 C ATOM 1283 OG SER A 90 7.293 -3.630 7.607 1.00 0.00 O ATOM 0 H SER A 90 6.419 -6.112 4.833 1.00 0.00 H new ATOM 0 HA SER A 90 7.573 -6.452 7.482 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.484 -4.634 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.922 -4.133 5.647 1.00 0.00 H new ATOM 0 HG SER A 90 8.177 -3.306 7.877 1.00 0.00 H new ATOM 1289 N GLU A 91 5.682 -5.117 8.845 1.00 0.00 N ATOM 1290 CA GLU A 91 4.528 -4.894 9.709 1.00 0.00 C ATOM 1291 C GLU A 91 3.357 -4.322 8.915 1.00 0.00 C ATOM 1292 O GLU A 91 3.285 -3.116 8.677 1.00 0.00 O ATOM 1293 CB GLU A 91 4.894 -3.947 10.853 1.00 0.00 C ATOM 1294 CG GLU A 91 5.652 -4.623 11.984 1.00 0.00 C ATOM 1295 CD GLU A 91 5.844 -3.714 13.182 1.00 0.00 C ATOM 1296 OE1 GLU A 91 4.886 -3.000 13.546 1.00 0.00 O ATOM 1297 OE2 GLU A 91 6.953 -3.717 13.756 1.00 0.00 O ATOM 0 H GLU A 91 6.562 -4.759 9.216 1.00 0.00 H new ATOM 0 HA GLU A 91 4.227 -5.855 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.499 -3.131 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.982 -3.503 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.112 -5.518 12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.626 -4.949 11.620 1.00 0.00 H new ATOM 1304 N ALA A 92 2.442 -5.195 8.508 1.00 0.00 N ATOM 1305 CA ALA A 92 1.274 -4.777 7.742 1.00 0.00 C ATOM 1306 C ALA A 92 0.620 -3.550 8.366 1.00 0.00 C ATOM 1307 O ALA A 92 0.320 -3.533 9.560 1.00 0.00 O ATOM 1308 CB ALA A 92 0.273 -5.919 7.642 1.00 0.00 C ATOM 0 H ALA A 92 2.487 -6.197 8.696 1.00 0.00 H new ATOM 0 HA ALA A 92 1.604 -4.509 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.594 -5.593 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.739 -6.769 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.044 -6.213 8.642 1.00 0.00 H new ATOM 1314 N VAL A 93 0.400 -2.523 7.551 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.219 -1.291 8.023 1.00 0.00 C ATOM 1316 C VAL A 93 -1.597 -1.095 7.400 1.00 0.00 C ATOM 1317 O VAL A 93 -1.849 -1.530 6.277 1.00 0.00 O ATOM 1318 CB VAL A 93 0.655 -0.064 7.703 1.00 0.00 C ATOM 1319 CG1 VAL A 93 2.030 -0.209 8.338 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.771 0.130 6.199 1.00 0.00 C ATOM 0 H VAL A 93 0.642 -2.520 6.560 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.321 -1.383 9.104 1.00 0.00 H new ATOM 0 HB VAL A 93 0.178 0.821 8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.634 0.667 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.924 -0.296 9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.518 -1.102 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.392 1.001 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.225 -0.754 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.221 0.282 5.774 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.485 -0.436 8.138 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.839 -0.183 7.658 1.00 0.00 C ATOM 1332 C ARG A 94 -4.073 1.311 7.457 1.00 0.00 C ATOM 1333 O ARG A 94 -3.904 2.106 8.380 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.865 -0.743 8.645 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.128 -2.230 8.472 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.358 -2.673 9.250 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.059 -2.907 10.660 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.401 -3.972 11.104 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -4.975 -4.896 10.253 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.168 -4.115 12.403 1.00 0.00 N ATOM 0 H ARG A 94 -2.292 -0.068 9.069 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.958 -0.684 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.516 -0.560 9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.803 -0.201 8.528 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.264 -2.456 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.260 -2.796 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.134 -1.912 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.757 -3.586 8.808 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.372 -2.215 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.152 -4.790 9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.470 -5.713 10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.494 -3.407 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.663 -4.933 12.743 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.464 1.685 6.243 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.723 3.083 5.920 1.00 0.00 C ATOM 1356 C ALA A 95 -6.061 3.242 5.207 1.00 0.00 C ATOM 1357 O ALA A 95 -6.311 2.603 4.185 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.597 3.645 5.066 1.00 0.00 C ATOM 0 H ALA A 95 -4.608 1.039 5.467 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.770 3.644 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.804 4.689 4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.656 3.575 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.523 3.074 4.140 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.919 4.098 5.753 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.233 4.340 5.169 1.00 0.00 C ATOM 1366 C ARG A 96 -8.200 5.547 4.237 1.00 0.00 C ATOM 1367 O ARG A 96 -7.907 6.666 4.661 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.271 4.561 6.271 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.672 4.114 5.886 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.645 4.273 7.044 1.00 0.00 C ATOM 1371 NE ARG A 96 -12.879 3.522 6.829 1.00 0.00 N ATOM 1372 CZ ARG A 96 -13.935 3.597 7.632 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.906 4.385 8.698 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -15.022 2.883 7.369 1.00 0.00 N ATOM 0 H ARG A 96 -6.728 4.635 6.599 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.512 3.461 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.959 4.021 7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.295 5.620 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.020 4.698 5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.648 3.071 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.171 3.935 7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.882 5.329 7.176 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.933 2.906 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.072 4.935 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.718 4.441 9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.047 2.276 6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.832 2.941 7.986 1.00 0.00 H new ATOM 1388 N THR A 97 -8.502 5.314 2.963 1.00 0.00 N ATOM 1389 CA THR A 97 -8.506 6.381 1.971 1.00 0.00 C ATOM 1390 C THR A 97 -9.607 7.395 2.257 1.00 0.00 C ATOM 1391 O THR A 97 -10.639 7.058 2.837 1.00 0.00 O ATOM 1392 CB THR A 97 -8.694 5.823 0.547 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.063 5.457 0.342 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.800 4.614 0.317 1.00 0.00 C ATOM 0 H THR A 97 -8.747 4.395 2.595 1.00 0.00 H new ATOM 0 HA THR A 97 -7.537 6.875 2.035 1.00 0.00 H new ATOM 0 HB THR A 97 -8.416 6.601 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.129 4.858 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.950 4.238 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.757 4.903 0.445 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.051 3.834 1.035 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.381 8.639 1.846 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.365 9.683 2.067 1.00 0.00 C ATOM 1404 C GLY A 98 -11.604 9.504 1.212 1.00 0.00 C ATOM 1405 O GLY A 98 -11.663 8.603 0.377 1.00 0.00 O ATOM 0 H GLY A 98 -8.535 8.942 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.651 9.691 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.916 10.653 1.852 1.00 0.00 H new