USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 28 ASN : amide:sc= -0.909 K(o=-0.91,f=-3.9!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00285) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.094) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 67:sc= 0.923 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -2.02 K(o=-2,f=-6.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.385 X(o=-0.39,f=-0.39) USER MOD Single : A 69 TYR OH : rot 30:sc= 0.179 USER MOD Single : A 72 CYS SG : rot 9:sc= -1.06 USER MOD Single : A 76 GLN : amide:sc= -2.27 K(o=-2.3,f=-3.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -52:sc= -0.364 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.691! F(o=-1.9,f=-0.69!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.131 -13.551 -18.743 1.00 0.00 N ATOM 2 CA GLY A 1 -10.908 -13.256 -17.507 1.00 0.00 C ATOM 3 C GLY A 1 -10.068 -13.371 -16.251 1.00 0.00 C ATOM 4 O GLY A 1 -10.158 -12.531 -15.356 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.742 -13.425 -19.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.321 -12.902 -18.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.787 -14.532 -18.711 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.321 -12.249 -17.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.752 -13.943 -17.440 1.00 0.00 H new ATOM 10 N SER A 2 -9.248 -14.415 -16.184 1.00 0.00 N ATOM 11 CA SER A 2 -8.387 -14.638 -15.028 1.00 0.00 C ATOM 12 C SER A 2 -7.002 -15.106 -15.464 1.00 0.00 C ATOM 13 O SER A 2 -6.696 -16.298 -15.417 1.00 0.00 O ATOM 14 CB SER A 2 -9.015 -15.670 -14.089 1.00 0.00 C ATOM 15 OG SER A 2 -9.821 -16.588 -14.806 1.00 0.00 O ATOM 0 H SER A 2 -9.162 -15.120 -16.916 1.00 0.00 H new ATOM 0 HA SER A 2 -8.281 -13.692 -14.497 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.230 -16.208 -13.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.618 -15.162 -13.337 1.00 0.00 H new ATOM 0 HG SER A 2 -10.209 -17.238 -14.184 1.00 0.00 H new ATOM 21 N SER A 3 -6.170 -14.161 -15.886 1.00 0.00 N ATOM 22 CA SER A 3 -4.816 -14.475 -16.330 1.00 0.00 C ATOM 23 C SER A 3 -3.792 -13.600 -15.616 1.00 0.00 C ATOM 24 O SER A 3 -4.064 -12.443 -15.299 1.00 0.00 O ATOM 25 CB SER A 3 -4.698 -14.289 -17.844 1.00 0.00 C ATOM 26 OG SER A 3 -5.955 -14.446 -18.478 1.00 0.00 O ATOM 0 H SER A 3 -6.409 -13.170 -15.930 1.00 0.00 H new ATOM 0 HA SER A 3 -4.611 -15.516 -16.082 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.299 -13.298 -18.061 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.991 -15.013 -18.248 1.00 0.00 H new ATOM 0 HG SER A 3 -5.852 -14.320 -19.444 1.00 0.00 H new ATOM 32 N GLY A 4 -2.613 -14.161 -15.366 1.00 0.00 N ATOM 33 CA GLY A 4 -1.567 -13.418 -14.690 1.00 0.00 C ATOM 34 C GLY A 4 -0.708 -14.298 -13.805 1.00 0.00 C ATOM 35 O GLY A 4 -0.186 -15.319 -14.253 1.00 0.00 O ATOM 0 H GLY A 4 -2.364 -15.117 -15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.936 -12.929 -15.432 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.018 -12.631 -14.086 1.00 0.00 H new ATOM 39 N SER A 5 -0.561 -13.903 -12.544 1.00 0.00 N ATOM 40 CA SER A 5 0.241 -14.663 -11.592 1.00 0.00 C ATOM 41 C SER A 5 -0.650 -15.396 -10.594 1.00 0.00 C ATOM 42 O SER A 5 -0.597 -16.621 -10.483 1.00 0.00 O ATOM 43 CB SER A 5 1.204 -13.735 -10.849 1.00 0.00 C ATOM 44 OG SER A 5 2.296 -14.460 -10.310 1.00 0.00 O ATOM 0 H SER A 5 -0.987 -13.061 -12.158 1.00 0.00 H new ATOM 0 HA SER A 5 0.817 -15.402 -12.148 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.573 -12.968 -11.530 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.673 -13.221 -10.047 1.00 0.00 H new ATOM 0 HG SER A 5 2.898 -13.845 -9.842 1.00 0.00 H new ATOM 50 N SER A 6 -1.467 -14.638 -9.870 1.00 0.00 N ATOM 51 CA SER A 6 -2.369 -15.216 -8.881 1.00 0.00 C ATOM 52 C SER A 6 -3.655 -14.401 -8.774 1.00 0.00 C ATOM 53 O SER A 6 -4.756 -14.944 -8.864 1.00 0.00 O ATOM 54 CB SER A 6 -1.682 -15.291 -7.516 1.00 0.00 C ATOM 55 OG SER A 6 -1.907 -16.548 -6.900 1.00 0.00 O ATOM 0 H SER A 6 -1.523 -13.623 -9.950 1.00 0.00 H new ATOM 0 HA SER A 6 -2.626 -16.224 -9.206 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.611 -15.127 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.057 -14.495 -6.873 1.00 0.00 H new ATOM 0 HG SER A 6 -1.456 -16.571 -6.030 1.00 0.00 H new ATOM 61 N GLY A 7 -3.506 -13.095 -8.583 1.00 0.00 N ATOM 62 CA GLY A 7 -4.662 -12.225 -8.467 1.00 0.00 C ATOM 63 C GLY A 7 -5.309 -11.939 -9.808 1.00 0.00 C ATOM 64 O GLY A 7 -4.864 -12.441 -10.840 1.00 0.00 O ATOM 0 H GLY A 7 -2.605 -12.623 -8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.395 -12.686 -7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.361 -11.285 -8.005 1.00 0.00 H new ATOM 68 N ALA A 8 -6.363 -11.128 -9.794 1.00 0.00 N ATOM 69 CA ALA A 8 -7.072 -10.775 -11.017 1.00 0.00 C ATOM 70 C ALA A 8 -6.934 -9.287 -11.325 1.00 0.00 C ATOM 71 O ALA A 8 -7.807 -8.690 -11.957 1.00 0.00 O ATOM 72 CB ALA A 8 -8.539 -11.158 -10.906 1.00 0.00 C ATOM 0 H ALA A 8 -6.744 -10.704 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.623 -11.332 -11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.056 -10.888 -11.827 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.623 -12.233 -10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.991 -10.628 -10.068 1.00 0.00 H new ATOM 78 N ALA A 9 -5.834 -8.692 -10.875 1.00 0.00 N ATOM 79 CA ALA A 9 -5.582 -7.273 -11.103 1.00 0.00 C ATOM 80 C ALA A 9 -4.235 -6.856 -10.524 1.00 0.00 C ATOM 81 O ALA A 9 -3.345 -6.415 -11.252 1.00 0.00 O ATOM 82 CB ALA A 9 -6.698 -6.434 -10.501 1.00 0.00 C ATOM 0 H ALA A 9 -5.102 -9.171 -10.350 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.555 -7.103 -12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.496 -5.378 -10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.647 -6.705 -10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.752 -6.617 -9.428 1.00 0.00 H new ATOM 88 N GLU A 10 -4.092 -6.999 -9.211 1.00 0.00 N ATOM 89 CA GLU A 10 -2.853 -6.637 -8.533 1.00 0.00 C ATOM 90 C GLU A 10 -2.495 -7.668 -7.468 1.00 0.00 C ATOM 91 O GLU A 10 -3.373 -8.286 -6.867 1.00 0.00 O ATOM 92 CB GLU A 10 -2.982 -5.253 -7.895 1.00 0.00 C ATOM 93 CG GLU A 10 -2.933 -4.113 -8.899 1.00 0.00 C ATOM 94 CD GLU A 10 -1.586 -3.416 -8.925 1.00 0.00 C ATOM 95 OE1 GLU A 10 -1.019 -3.180 -7.839 1.00 0.00 O ATOM 96 OE2 GLU A 10 -1.099 -3.109 -10.033 1.00 0.00 O ATOM 0 H GLU A 10 -4.819 -7.363 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.055 -6.615 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.922 -5.202 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.180 -5.121 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.157 -4.500 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.709 -3.387 -8.657 1.00 0.00 H new ATOM 103 N VAL A 11 -1.198 -7.850 -7.240 1.00 0.00 N ATOM 104 CA VAL A 11 -0.723 -8.806 -6.248 1.00 0.00 C ATOM 105 C VAL A 11 0.087 -8.111 -5.159 1.00 0.00 C ATOM 106 O VAL A 11 0.367 -6.916 -5.247 1.00 0.00 O ATOM 107 CB VAL A 11 0.144 -9.902 -6.895 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.715 -10.839 -7.732 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.248 -9.283 -7.739 1.00 0.00 C ATOM 0 H VAL A 11 -0.458 -7.347 -7.729 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.606 -9.266 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 11 0.610 -10.485 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.085 -11.607 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.464 -11.311 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.212 -10.272 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.850 -10.073 -8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.805 -8.673 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.881 -8.659 -7.109 1.00 0.00 H new ATOM 119 N GLY A 12 0.460 -8.867 -4.131 1.00 0.00 N ATOM 120 CA GLY A 12 1.233 -8.308 -3.039 1.00 0.00 C ATOM 121 C GLY A 12 2.574 -8.992 -2.868 1.00 0.00 C ATOM 122 O GLY A 12 2.839 -10.019 -3.493 1.00 0.00 O ATOM 0 H GLY A 12 0.240 -9.858 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.391 -7.244 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.664 -8.395 -2.113 1.00 0.00 H new ATOM 126 N ASP A 13 3.424 -8.423 -2.018 1.00 0.00 N ATOM 127 CA ASP A 13 4.745 -8.986 -1.767 1.00 0.00 C ATOM 128 C ASP A 13 4.690 -10.032 -0.657 1.00 0.00 C ATOM 129 O ASP A 13 3.725 -10.092 0.105 1.00 0.00 O ATOM 130 CB ASP A 13 5.732 -7.879 -1.394 1.00 0.00 C ATOM 131 CG ASP A 13 7.070 -8.040 -2.088 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.079 -8.240 -3.320 1.00 0.00 O ATOM 133 OD2 ASP A 13 8.109 -7.965 -1.399 1.00 0.00 O ATOM 0 H ASP A 13 3.221 -7.573 -1.492 1.00 0.00 H new ATOM 0 HA ASP A 13 5.085 -9.472 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.304 -6.911 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.883 -7.879 -0.315 1.00 0.00 H new ATOM 138 N ASP A 14 5.732 -10.853 -0.573 1.00 0.00 N ATOM 139 CA ASP A 14 5.803 -11.896 0.443 1.00 0.00 C ATOM 140 C ASP A 14 6.629 -11.433 1.639 1.00 0.00 C ATOM 141 O ASP A 14 7.400 -12.205 2.211 1.00 0.00 O ATOM 142 CB ASP A 14 6.406 -13.172 -0.149 1.00 0.00 C ATOM 143 CG ASP A 14 5.612 -14.410 0.217 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.436 -14.505 -0.193 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.166 -15.287 0.915 1.00 0.00 O ATOM 0 H ASP A 14 6.538 -10.816 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 14 4.790 -12.108 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.451 -13.080 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.431 -13.284 0.204 1.00 0.00 H new ATOM 150 N PHE A 15 6.464 -10.169 2.014 1.00 0.00 N ATOM 151 CA PHE A 15 7.194 -9.604 3.142 1.00 0.00 C ATOM 152 C PHE A 15 6.746 -8.173 3.419 1.00 0.00 C ATOM 153 O PHE A 15 6.735 -7.330 2.522 1.00 0.00 O ATOM 154 CB PHE A 15 8.699 -9.636 2.870 1.00 0.00 C ATOM 155 CG PHE A 15 9.536 -9.420 4.099 1.00 0.00 C ATOM 156 CD1 PHE A 15 9.694 -10.433 5.031 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.162 -8.205 4.322 1.00 0.00 C ATOM 158 CE1 PHE A 15 10.462 -10.238 6.163 1.00 0.00 C ATOM 159 CE2 PHE A 15 10.932 -8.003 5.453 1.00 0.00 C ATOM 160 CZ PHE A 15 11.082 -9.021 6.373 1.00 0.00 C ATOM 0 H PHE A 15 5.831 -9.516 1.553 1.00 0.00 H new ATOM 0 HA PHE A 15 6.978 -10.210 4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.960 -10.597 2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.943 -8.870 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.211 -11.386 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.048 -7.406 3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.578 -11.035 6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.415 -7.051 5.616 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.684 -8.866 7.257 1.00 0.00 H new ATOM 170 N LEU A 16 6.375 -7.906 4.667 1.00 0.00 N ATOM 171 CA LEU A 16 5.925 -6.576 5.063 1.00 0.00 C ATOM 172 C LEU A 16 7.111 -5.680 5.405 1.00 0.00 C ATOM 173 O LEU A 16 8.027 -6.091 6.118 1.00 0.00 O ATOM 174 CB LEU A 16 4.981 -6.672 6.263 1.00 0.00 C ATOM 175 CG LEU A 16 3.564 -7.146 5.936 1.00 0.00 C ATOM 176 CD1 LEU A 16 2.902 -7.735 7.172 1.00 0.00 C ATOM 177 CD2 LEU A 16 2.735 -5.999 5.380 1.00 0.00 C ATOM 0 H LEU A 16 6.377 -8.593 5.421 1.00 0.00 H new ATOM 0 HA LEU A 16 5.390 -6.135 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.416 -7.353 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.920 -5.692 6.737 1.00 0.00 H new ATOM 0 HG LEU A 16 3.626 -7.925 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.895 -8.067 6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.486 -8.584 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.850 -6.977 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.730 -6.354 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.679 -5.199 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.201 -5.621 4.470 1.00 0.00 H new ATOM 189 N GLY A 17 7.088 -4.455 4.890 1.00 0.00 N ATOM 190 CA GLY A 17 8.167 -3.521 5.152 1.00 0.00 C ATOM 191 C GLY A 17 8.118 -2.958 6.559 1.00 0.00 C ATOM 192 O GLY A 17 7.193 -3.247 7.318 1.00 0.00 O ATOM 0 H GLY A 17 6.342 -4.093 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.123 -4.022 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.117 -2.702 4.434 1.00 0.00 H new ATOM 196 N ASP A 18 9.116 -2.152 6.907 1.00 0.00 N ATOM 197 CA ASP A 18 9.183 -1.547 8.232 1.00 0.00 C ATOM 198 C ASP A 18 8.376 -0.252 8.280 1.00 0.00 C ATOM 199 O ASP A 18 8.911 0.816 8.580 1.00 0.00 O ATOM 200 CB ASP A 18 10.638 -1.272 8.616 1.00 0.00 C ATOM 201 CG ASP A 18 11.516 -2.500 8.470 1.00 0.00 C ATOM 202 OD1 ASP A 18 11.862 -2.849 7.321 1.00 0.00 O ATOM 203 OD2 ASP A 18 11.857 -3.113 9.504 1.00 0.00 O ATOM 0 H ASP A 18 9.889 -1.903 6.290 1.00 0.00 H new ATOM 0 HA ASP A 18 8.753 -2.248 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.031 -0.471 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.679 -0.920 9.647 1.00 0.00 H new ATOM 208 N PHE A 19 7.084 -0.355 7.981 1.00 0.00 N ATOM 209 CA PHE A 19 6.203 0.806 7.990 1.00 0.00 C ATOM 210 C PHE A 19 5.138 0.672 9.073 1.00 0.00 C ATOM 211 O PHE A 19 4.501 -0.372 9.206 1.00 0.00 O ATOM 212 CB PHE A 19 5.538 0.978 6.623 1.00 0.00 C ATOM 213 CG PHE A 19 6.515 1.059 5.486 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.113 2.264 5.152 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.838 -0.071 4.750 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.013 2.341 4.107 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.738 0.001 3.704 1.00 0.00 C ATOM 218 CZ PHE A 19 8.326 1.208 3.382 1.00 0.00 C ATOM 0 H PHE A 19 6.625 -1.231 7.730 1.00 0.00 H new ATOM 0 HA PHE A 19 6.807 1.687 8.206 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.860 0.142 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.931 1.883 6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.872 3.153 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.381 -1.018 4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.472 3.286 3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.981 -0.886 3.139 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.029 1.266 2.565 1.00 0.00 H new ATOM 228 N VAL A 20 4.951 1.737 9.846 1.00 0.00 N ATOM 229 CA VAL A 20 3.962 1.739 10.918 1.00 0.00 C ATOM 230 C VAL A 20 2.702 2.490 10.502 1.00 0.00 C ATOM 231 O VAL A 20 2.628 3.036 9.402 1.00 0.00 O ATOM 232 CB VAL A 20 4.527 2.379 12.201 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.655 1.532 12.768 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.000 3.797 11.926 1.00 0.00 C ATOM 0 H VAL A 20 5.471 2.609 9.750 1.00 0.00 H new ATOM 0 HA VAL A 20 3.711 0.698 11.119 1.00 0.00 H new ATOM 0 HB VAL A 20 3.731 2.425 12.944 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.041 2.000 13.674 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.279 0.537 13.006 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.455 1.451 12.032 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.396 4.233 12.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.781 3.779 11.166 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.163 4.397 11.571 1.00 0.00 H new ATOM 244 N VAL A 21 1.713 2.512 11.389 1.00 0.00 N ATOM 245 CA VAL A 21 0.456 3.195 11.115 1.00 0.00 C ATOM 246 C VAL A 21 0.498 4.639 11.603 1.00 0.00 C ATOM 247 O VAL A 21 0.386 4.904 12.801 1.00 0.00 O ATOM 248 CB VAL A 21 -0.732 2.474 11.780 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.050 3.080 11.322 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.689 0.984 11.479 1.00 0.00 C ATOM 0 H VAL A 21 1.759 2.064 12.304 1.00 0.00 H new ATOM 0 HA VAL A 21 0.319 3.183 10.034 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.654 2.606 12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.877 2.557 11.802 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.080 4.135 11.595 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.139 2.982 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.536 0.492 11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.740 0.829 10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.240 0.562 11.863 1.00 0.00 H new ATOM 260 N GLY A 22 0.660 5.570 10.668 1.00 0.00 N ATOM 261 CA GLY A 22 0.715 6.976 11.022 1.00 0.00 C ATOM 262 C GLY A 22 1.984 7.648 10.539 1.00 0.00 C ATOM 263 O GLY A 22 2.578 8.456 11.253 1.00 0.00 O ATOM 0 H GLY A 22 0.754 5.375 9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.148 7.488 10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.644 7.078 12.105 1.00 0.00 H new ATOM 267 N GLU A 23 2.401 7.315 9.322 1.00 0.00 N ATOM 268 CA GLU A 23 3.609 7.892 8.742 1.00 0.00 C ATOM 269 C GLU A 23 3.391 8.250 7.275 1.00 0.00 C ATOM 270 O GLU A 23 2.453 7.768 6.641 1.00 0.00 O ATOM 271 CB GLU A 23 4.779 6.916 8.872 1.00 0.00 C ATOM 272 CG GLU A 23 4.552 5.594 8.158 1.00 0.00 C ATOM 273 CD GLU A 23 5.836 4.995 7.619 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.656 5.753 7.059 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.022 3.767 7.755 1.00 0.00 O ATOM 0 H GLU A 23 1.920 6.648 8.718 1.00 0.00 H new ATOM 0 HA GLU A 23 3.844 8.805 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.678 7.385 8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.963 6.722 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.087 4.888 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.852 5.745 7.336 1.00 0.00 H new ATOM 282 N ARG A 24 4.264 9.098 6.743 1.00 0.00 N ATOM 283 CA ARG A 24 4.168 9.521 5.351 1.00 0.00 C ATOM 284 C ARG A 24 5.148 8.746 4.477 1.00 0.00 C ATOM 285 O ARG A 24 6.362 8.906 4.595 1.00 0.00 O ATOM 286 CB ARG A 24 4.438 11.023 5.232 1.00 0.00 C ATOM 287 CG ARG A 24 3.420 11.883 5.961 1.00 0.00 C ATOM 288 CD ARG A 24 2.066 11.850 5.271 1.00 0.00 C ATOM 289 NE ARG A 24 1.997 12.790 4.155 1.00 0.00 N ATOM 290 CZ ARG A 24 1.789 14.098 4.298 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.633 14.623 5.507 1.00 0.00 N ATOM 292 NH2 ARG A 24 1.738 14.881 3.230 1.00 0.00 N ATOM 0 H ARG A 24 5.046 9.506 7.255 1.00 0.00 H new ATOM 0 HA ARG A 24 3.156 9.312 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.431 11.238 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.447 11.300 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.315 11.532 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.779 12.911 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.869 10.841 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.285 12.087 5.994 1.00 0.00 H new ATOM 0 HE ARG A 24 2.115 12.423 3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.672 14.024 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.474 15.625 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.858 14.482 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.579 15.883 3.339 1.00 0.00 H new ATOM 306 N VAL A 25 4.612 7.905 3.598 1.00 0.00 N ATOM 307 CA VAL A 25 5.438 7.104 2.704 1.00 0.00 C ATOM 308 C VAL A 25 5.130 7.417 1.244 1.00 0.00 C ATOM 309 O VAL A 25 3.981 7.673 0.882 1.00 0.00 O ATOM 310 CB VAL A 25 5.233 5.596 2.948 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.811 5.189 4.294 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.758 5.238 2.861 1.00 0.00 C ATOM 0 H VAL A 25 3.608 7.761 3.486 1.00 0.00 H new ATOM 0 HA VAL A 25 6.476 7.361 2.918 1.00 0.00 H new ATOM 0 HB VAL A 25 5.763 5.045 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.657 4.121 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.879 5.408 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.313 5.746 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.632 4.170 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.203 5.797 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.380 5.491 1.870 1.00 0.00 H new ATOM 322 N TRP A 26 6.163 7.395 0.407 1.00 0.00 N ATOM 323 CA TRP A 26 6.002 7.677 -1.014 1.00 0.00 C ATOM 324 C TRP A 26 5.704 6.399 -1.793 1.00 0.00 C ATOM 325 O TRP A 26 6.582 5.558 -1.985 1.00 0.00 O ATOM 326 CB TRP A 26 7.264 8.342 -1.569 1.00 0.00 C ATOM 327 CG TRP A 26 7.297 9.825 -1.357 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.266 10.791 -2.322 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.370 10.511 -0.104 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.314 12.037 -1.744 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.378 11.891 -0.383 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.428 10.095 1.229 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.442 12.855 0.621 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.492 11.052 2.225 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.498 12.418 1.916 1.00 0.00 C ATOM 0 H TRP A 26 7.120 7.185 0.689 1.00 0.00 H new ATOM 0 HA TRP A 26 5.158 8.357 -1.130 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.139 7.895 -1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.336 8.133 -2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.212 10.603 -3.384 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.304 12.925 -2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.423 9.044 1.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.447 13.909 0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.538 10.741 3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.548 13.141 2.717 1.00 0.00 H new ATOM 346 N VAL A 27 4.459 6.260 -2.238 1.00 0.00 N ATOM 347 CA VAL A 27 4.046 5.086 -2.995 1.00 0.00 C ATOM 348 C VAL A 27 4.714 5.053 -4.366 1.00 0.00 C ATOM 349 O VAL A 27 4.410 5.870 -5.236 1.00 0.00 O ATOM 350 CB VAL A 27 2.518 5.045 -3.181 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.089 3.720 -3.794 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.813 5.280 -1.854 1.00 0.00 C ATOM 0 H VAL A 27 3.720 6.946 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 27 4.358 4.214 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 27 2.232 5.844 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.006 3.710 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.566 3.597 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.387 2.902 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.734 5.248 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.104 4.505 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.095 6.256 -1.460 1.00 0.00 H new ATOM 362 N ASN A 28 5.626 4.102 -4.552 1.00 0.00 N ATOM 363 CA ASN A 28 6.337 3.963 -5.817 1.00 0.00 C ATOM 364 C ASN A 28 7.096 5.240 -6.161 1.00 0.00 C ATOM 365 O ASN A 28 7.287 5.565 -7.333 1.00 0.00 O ATOM 366 CB ASN A 28 5.359 3.619 -6.942 1.00 0.00 C ATOM 367 CG ASN A 28 5.146 2.126 -7.087 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.293 1.541 -6.420 1.00 0.00 O ATOM 369 ND2 ASN A 28 5.923 1.499 -7.963 1.00 0.00 N ATOM 0 H ASN A 28 5.889 3.418 -3.843 1.00 0.00 H new ATOM 0 HA ASN A 28 7.058 3.152 -5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.402 4.102 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.735 4.022 -7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.825 0.493 -8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.618 2.023 -8.495 1.00 0.00 H new ATOM 376 N GLY A 29 7.529 5.961 -5.131 1.00 0.00 N ATOM 377 CA GLY A 29 8.262 7.195 -5.345 1.00 0.00 C ATOM 378 C GLY A 29 7.474 8.208 -6.152 1.00 0.00 C ATOM 379 O GLY A 29 8.054 9.048 -6.842 1.00 0.00 O ATOM 0 H GLY A 29 7.385 5.712 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.525 7.629 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.197 6.974 -5.860 1.00 0.00 H new ATOM 383 N VAL A 30 6.151 8.131 -6.066 1.00 0.00 N ATOM 384 CA VAL A 30 5.284 9.047 -6.796 1.00 0.00 C ATOM 385 C VAL A 30 4.774 10.161 -5.887 1.00 0.00 C ATOM 386 O VAL A 30 5.129 11.327 -6.059 1.00 0.00 O ATOM 387 CB VAL A 30 4.079 8.312 -7.414 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.298 9.242 -8.329 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.540 7.073 -8.166 1.00 0.00 C ATOM 0 H VAL A 30 5.656 7.444 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 30 5.884 9.479 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 30 3.417 7.995 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.451 8.705 -8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.935 10.096 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.947 9.593 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.676 6.566 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.224 7.365 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.051 6.399 -7.478 1.00 0.00 H new ATOM 399 N LYS A 31 3.940 9.794 -4.920 1.00 0.00 N ATOM 400 CA LYS A 31 3.382 10.762 -3.983 1.00 0.00 C ATOM 401 C LYS A 31 3.315 10.180 -2.573 1.00 0.00 C ATOM 402 O LYS A 31 3.114 8.978 -2.400 1.00 0.00 O ATOM 403 CB LYS A 31 1.986 11.195 -4.435 1.00 0.00 C ATOM 404 CG LYS A 31 1.976 11.915 -5.775 1.00 0.00 C ATOM 405 CD LYS A 31 1.609 13.383 -5.618 1.00 0.00 C ATOM 406 CE LYS A 31 1.064 13.965 -6.914 1.00 0.00 C ATOM 407 NZ LYS A 31 1.987 14.973 -7.503 1.00 0.00 N ATOM 0 H LYS A 31 3.636 8.833 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 31 4.038 11.633 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.345 10.316 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.554 11.849 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.958 11.832 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.264 11.431 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.865 13.490 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.488 13.947 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.899 13.161 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.095 14.427 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.579 15.345 -8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.125 15.753 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.904 14.527 -7.708 1.00 0.00 H new ATOM 421 N PRO A 32 3.480 11.029 -1.544 1.00 0.00 N ATOM 422 CA PRO A 32 3.436 10.589 -0.146 1.00 0.00 C ATOM 423 C PRO A 32 2.023 10.235 0.305 1.00 0.00 C ATOM 424 O PRO A 32 1.043 10.741 -0.240 1.00 0.00 O ATOM 425 CB PRO A 32 3.953 11.808 0.623 1.00 0.00 C ATOM 426 CG PRO A 32 3.613 12.970 -0.244 1.00 0.00 C ATOM 427 CD PRO A 32 3.724 12.479 -1.661 1.00 0.00 C ATOM 0 HA PRO A 32 4.021 9.684 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.478 11.891 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.027 11.742 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.606 13.331 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.294 13.802 -0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.991 12.958 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.707 12.688 -2.082 1.00 0.00 H new ATOM 435 N GLY A 33 1.927 9.364 1.303 1.00 0.00 N ATOM 436 CA GLY A 33 0.630 8.957 1.809 1.00 0.00 C ATOM 437 C GLY A 33 0.676 8.558 3.271 1.00 0.00 C ATOM 438 O GLY A 33 1.717 8.133 3.773 1.00 0.00 O ATOM 0 H GLY A 33 2.724 8.933 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.079 9.775 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.260 8.119 1.218 1.00 0.00 H new ATOM 442 N VAL A 34 -0.453 8.696 3.957 1.00 0.00 N ATOM 443 CA VAL A 34 -0.538 8.347 5.369 1.00 0.00 C ATOM 444 C VAL A 34 -0.984 6.901 5.554 1.00 0.00 C ATOM 445 O VAL A 34 -2.120 6.547 5.239 1.00 0.00 O ATOM 446 CB VAL A 34 -1.514 9.273 6.120 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.428 9.037 7.620 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.234 10.731 5.784 1.00 0.00 C ATOM 0 H VAL A 34 -1.323 9.048 3.557 1.00 0.00 H new ATOM 0 HA VAL A 34 0.462 8.471 5.784 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.528 9.039 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.124 9.700 8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.684 8.001 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.414 9.241 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.933 11.370 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.214 10.982 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.354 10.887 4.712 1.00 0.00 H new ATOM 458 N VAL A 35 -0.082 6.069 6.065 1.00 0.00 N ATOM 459 CA VAL A 35 -0.384 4.661 6.291 1.00 0.00 C ATOM 460 C VAL A 35 -1.477 4.496 7.341 1.00 0.00 C ATOM 461 O VAL A 35 -1.454 5.150 8.383 1.00 0.00 O ATOM 462 CB VAL A 35 0.868 3.883 6.740 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.574 2.392 6.821 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.034 4.152 5.799 1.00 0.00 C ATOM 0 H VAL A 35 0.863 6.346 6.330 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.732 4.255 5.341 1.00 0.00 H new ATOM 0 HB VAL A 35 1.147 4.229 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.471 1.861 7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.226 2.217 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.266 2.028 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.908 3.593 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.767 3.838 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.263 5.218 5.799 1.00 0.00 H new ATOM 474 N GLN A 36 -2.433 3.616 7.060 1.00 0.00 N ATOM 475 CA GLN A 36 -3.535 3.364 7.980 1.00 0.00 C ATOM 476 C GLN A 36 -3.676 1.873 8.266 1.00 0.00 C ATOM 477 O GLN A 36 -3.829 1.463 9.416 1.00 0.00 O ATOM 478 CB GLN A 36 -4.843 3.912 7.404 1.00 0.00 C ATOM 479 CG GLN A 36 -5.163 5.326 7.860 1.00 0.00 C ATOM 480 CD GLN A 36 -5.499 5.399 9.337 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.636 5.151 9.740 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.510 5.742 10.153 1.00 0.00 N ATOM 0 H GLN A 36 -2.466 3.066 6.202 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.317 3.875 8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.787 3.894 6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.662 3.252 7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.310 5.973 7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.003 5.710 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.583 5.939 9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.677 5.809 11.157 1.00 0.00 H new ATOM 491 N TYR A 37 -3.624 1.067 7.211 1.00 0.00 N ATOM 492 CA TYR A 37 -3.746 -0.381 7.348 1.00 0.00 C ATOM 493 C TYR A 37 -2.484 -1.083 6.856 1.00 0.00 C ATOM 494 O TYR A 37 -1.840 -0.632 5.908 1.00 0.00 O ATOM 495 CB TYR A 37 -4.961 -0.886 6.568 1.00 0.00 C ATOM 496 CG TYR A 37 -5.699 -2.011 7.260 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.667 -1.744 8.220 1.00 0.00 C ATOM 498 CD2 TYR A 37 -5.426 -3.337 6.952 1.00 0.00 C ATOM 499 CE1 TYR A 37 -7.343 -2.770 8.854 1.00 0.00 C ATOM 500 CE2 TYR A 37 -6.098 -4.367 7.582 1.00 0.00 C ATOM 501 CZ TYR A 37 -7.055 -4.079 8.531 1.00 0.00 C ATOM 502 OH TYR A 37 -7.726 -5.103 9.161 1.00 0.00 O ATOM 0 H TYR A 37 -3.498 1.391 6.252 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.879 -0.611 8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.649 -0.056 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.636 -1.226 5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.895 -0.720 8.475 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.677 -3.567 6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.093 -2.547 9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.874 -5.393 7.332 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.406 -5.963 8.818 1.00 0.00 H new ATOM 512 N LEU A 38 -2.137 -2.188 7.507 1.00 0.00 N ATOM 513 CA LEU A 38 -0.952 -2.953 7.136 1.00 0.00 C ATOM 514 C LEU A 38 -1.189 -4.448 7.324 1.00 0.00 C ATOM 515 O LEU A 38 -1.693 -4.881 8.360 1.00 0.00 O ATOM 516 CB LEU A 38 0.250 -2.506 7.970 1.00 0.00 C ATOM 517 CG LEU A 38 0.704 -1.065 7.731 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.399 -0.512 8.965 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.622 -0.991 6.520 1.00 0.00 C ATOM 0 H LEU A 38 -2.659 -2.574 8.294 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.744 -2.766 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.004 -2.623 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.086 -3.174 7.761 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.177 -0.454 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.715 0.514 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.710 -0.530 9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.271 -1.123 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.936 0.041 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.499 -1.615 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.089 -1.346 5.638 1.00 0.00 H new ATOM 531 N GLY A 39 -0.822 -5.231 6.315 1.00 0.00 N ATOM 532 CA GLY A 39 -1.003 -6.669 6.390 1.00 0.00 C ATOM 533 C GLY A 39 -1.581 -7.248 5.113 1.00 0.00 C ATOM 534 O GLY A 39 -1.613 -6.580 4.079 1.00 0.00 O ATOM 0 H GLY A 39 -0.403 -4.896 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.044 -7.143 6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.663 -6.906 7.224 1.00 0.00 H new ATOM 538 N GLU A 40 -2.038 -8.494 5.185 1.00 0.00 N ATOM 539 CA GLU A 40 -2.618 -9.163 4.026 1.00 0.00 C ATOM 540 C GLU A 40 -3.967 -8.549 3.661 1.00 0.00 C ATOM 541 O GLU A 40 -4.438 -7.623 4.322 1.00 0.00 O ATOM 542 CB GLU A 40 -2.779 -10.660 4.304 1.00 0.00 C ATOM 543 CG GLU A 40 -2.132 -11.547 3.252 1.00 0.00 C ATOM 544 CD GLU A 40 -2.528 -13.003 3.395 1.00 0.00 C ATOM 545 OE1 GLU A 40 -3.718 -13.270 3.667 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.650 -13.876 3.233 1.00 0.00 O ATOM 0 H GLU A 40 -2.018 -9.060 6.033 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.941 -9.029 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.345 -10.889 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.841 -10.898 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.414 -11.193 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.048 -11.460 3.325 1.00 0.00 H new ATOM 553 N THR A 41 -4.584 -9.072 2.607 1.00 0.00 N ATOM 554 CA THR A 41 -5.878 -8.575 2.154 1.00 0.00 C ATOM 555 C THR A 41 -6.794 -9.727 1.754 1.00 0.00 C ATOM 556 O THR A 41 -6.429 -10.897 1.884 1.00 0.00 O ATOM 557 CB THR A 41 -5.696 -7.617 0.976 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.614 -8.028 0.159 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.435 -6.190 1.402 1.00 0.00 C ATOM 0 H THR A 41 -4.209 -9.840 2.050 1.00 0.00 H new ATOM 0 HA THR A 41 -6.343 -8.037 2.981 1.00 0.00 H new ATOM 0 HB THR A 41 -6.638 -7.648 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.838 -8.876 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.315 -5.563 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.276 -5.827 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.526 -6.150 2.001 1.00 0.00 H new ATOM 567 N GLN A 42 -7.984 -9.390 1.269 1.00 0.00 N ATOM 568 CA GLN A 42 -8.952 -10.399 0.851 1.00 0.00 C ATOM 569 C GLN A 42 -9.151 -10.372 -0.662 1.00 0.00 C ATOM 570 O GLN A 42 -9.357 -11.412 -1.288 1.00 0.00 O ATOM 571 CB GLN A 42 -10.291 -10.173 1.557 1.00 0.00 C ATOM 572 CG GLN A 42 -10.177 -10.115 3.071 1.00 0.00 C ATOM 573 CD GLN A 42 -10.661 -11.387 3.741 1.00 0.00 C ATOM 574 OE1 GLN A 42 -9.913 -12.355 3.875 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.920 -11.391 4.163 1.00 0.00 N ATOM 0 H GLN A 42 -8.302 -8.427 1.155 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.561 -11.378 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.729 -9.242 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.977 -10.975 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.138 -9.936 3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.756 -9.270 3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.505 -10.566 4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.302 -12.219 4.619 1.00 0.00 H new ATOM 584 N PHE A 43 -9.091 -9.179 -1.244 1.00 0.00 N ATOM 585 CA PHE A 43 -9.268 -9.022 -2.682 1.00 0.00 C ATOM 586 C PHE A 43 -8.083 -9.609 -3.445 1.00 0.00 C ATOM 587 O PHE A 43 -8.236 -10.110 -4.559 1.00 0.00 O ATOM 588 CB PHE A 43 -9.444 -7.544 -3.041 1.00 0.00 C ATOM 589 CG PHE A 43 -8.200 -6.720 -2.859 1.00 0.00 C ATOM 590 CD1 PHE A 43 -7.173 -6.778 -3.788 1.00 0.00 C ATOM 591 CD2 PHE A 43 -8.058 -5.886 -1.761 1.00 0.00 C ATOM 592 CE1 PHE A 43 -6.029 -6.021 -3.625 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.916 -5.127 -1.592 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.899 -5.195 -2.527 1.00 0.00 C ATOM 0 H PHE A 43 -8.921 -8.308 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.167 -9.566 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.769 -7.469 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.240 -7.123 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.268 -7.423 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.850 -5.829 -1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.236 -6.076 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.818 -4.482 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.005 -4.603 -2.398 1.00 0.00 H new ATOM 604 N ALA A 44 -6.903 -9.543 -2.837 1.00 0.00 N ATOM 605 CA ALA A 44 -5.693 -10.067 -3.459 1.00 0.00 C ATOM 606 C ALA A 44 -4.786 -10.732 -2.426 1.00 0.00 C ATOM 607 O ALA A 44 -4.745 -10.319 -1.268 1.00 0.00 O ATOM 608 CB ALA A 44 -4.948 -8.954 -4.180 1.00 0.00 C ATOM 0 H ALA A 44 -6.759 -9.132 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.986 -10.825 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.046 -9.358 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.589 -8.527 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.674 -8.178 -3.466 1.00 0.00 H new ATOM 614 N PRO A 45 -4.043 -11.775 -2.836 1.00 0.00 N ATOM 615 CA PRO A 45 -3.134 -12.496 -1.940 1.00 0.00 C ATOM 616 C PRO A 45 -1.885 -11.686 -1.607 1.00 0.00 C ATOM 617 O PRO A 45 -1.815 -10.490 -1.889 1.00 0.00 O ATOM 618 CB PRO A 45 -2.763 -13.743 -2.743 1.00 0.00 C ATOM 619 CG PRO A 45 -2.903 -13.327 -4.167 1.00 0.00 C ATOM 620 CD PRO A 45 -4.032 -12.332 -4.202 1.00 0.00 C ATOM 0 HA PRO A 45 -3.597 -12.713 -0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.746 -14.068 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.423 -14.578 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.979 -12.881 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.119 -14.185 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.861 -11.558 -4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.980 -12.810 -4.448 1.00 0.00 H new ATOM 628 N GLY A 46 -0.901 -12.347 -1.006 1.00 0.00 N ATOM 629 CA GLY A 46 0.333 -11.673 -0.645 1.00 0.00 C ATOM 630 C GLY A 46 0.115 -10.571 0.372 1.00 0.00 C ATOM 631 O GLY A 46 -1.019 -10.295 0.766 1.00 0.00 O ATOM 0 H GLY A 46 -0.936 -13.337 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.037 -12.401 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.789 -11.251 -1.541 1.00 0.00 H new ATOM 635 N GLN A 47 1.204 -9.940 0.799 1.00 0.00 N ATOM 636 CA GLN A 47 1.128 -8.861 1.777 1.00 0.00 C ATOM 637 C GLN A 47 0.718 -7.551 1.112 1.00 0.00 C ATOM 638 O GLN A 47 0.977 -7.337 -0.073 1.00 0.00 O ATOM 639 CB GLN A 47 2.473 -8.689 2.483 1.00 0.00 C ATOM 640 CG GLN A 47 3.016 -9.977 3.079 1.00 0.00 C ATOM 641 CD GLN A 47 2.142 -10.518 4.194 1.00 0.00 C ATOM 642 OE1 GLN A 47 0.936 -10.694 4.022 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.748 -10.783 5.345 1.00 0.00 N ATOM 0 H GLN A 47 2.149 -10.157 0.483 1.00 0.00 H new ATOM 0 HA GLN A 47 0.370 -9.126 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.199 -8.293 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.366 -7.949 3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.103 -10.728 2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.021 -9.800 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.750 -10.622 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.211 -11.148 6.132 1.00 0.00 H new ATOM 652 N TRP A 48 0.076 -6.679 1.881 1.00 0.00 N ATOM 653 CA TRP A 48 -0.371 -5.390 1.366 1.00 0.00 C ATOM 654 C TRP A 48 -0.242 -4.305 2.432 1.00 0.00 C ATOM 655 O TRP A 48 0.049 -4.594 3.592 1.00 0.00 O ATOM 656 CB TRP A 48 -1.821 -5.484 0.890 1.00 0.00 C ATOM 657 CG TRP A 48 -1.963 -6.112 -0.460 1.00 0.00 C ATOM 658 CD1 TRP A 48 -1.845 -7.435 -0.758 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.251 -5.445 -1.695 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.040 -7.637 -2.102 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.292 -6.430 -2.700 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.479 -4.112 -2.048 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.551 -6.122 -4.033 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.736 -3.809 -3.372 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.770 -4.811 -4.350 1.00 0.00 C ATOM 0 H TRP A 48 -0.147 -6.841 2.863 1.00 0.00 H new ATOM 0 HA TRP A 48 0.265 -5.122 0.522 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.397 -6.061 1.614 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.253 -4.484 0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.629 -8.213 -0.041 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.003 -8.538 -2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.455 -3.333 -1.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.578 -6.892 -4.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.914 -2.783 -3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.974 -4.542 -5.376 1.00 0.00 H new ATOM 676 N ALA A 49 -0.461 -3.058 2.030 1.00 0.00 N ATOM 677 CA ALA A 49 -0.369 -1.932 2.951 1.00 0.00 C ATOM 678 C ALA A 49 -1.249 -0.774 2.492 1.00 0.00 C ATOM 679 O ALA A 49 -1.048 -0.219 1.412 1.00 0.00 O ATOM 680 CB ALA A 49 1.077 -1.478 3.086 1.00 0.00 C ATOM 0 H ALA A 49 -0.703 -2.802 1.073 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.727 -2.261 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.131 -0.637 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.682 -2.300 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.455 -1.172 2.111 1.00 0.00 H new ATOM 686 N GLY A 50 -2.224 -0.415 3.320 1.00 0.00 N ATOM 687 CA GLY A 50 -3.120 0.675 2.981 1.00 0.00 C ATOM 688 C GLY A 50 -2.511 2.035 3.261 1.00 0.00 C ATOM 689 O GLY A 50 -2.083 2.311 4.382 1.00 0.00 O ATOM 0 H GLY A 50 -2.410 -0.859 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.384 0.609 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.045 0.571 3.548 1.00 0.00 H new ATOM 693 N VAL A 51 -2.471 2.885 2.241 1.00 0.00 N ATOM 694 CA VAL A 51 -1.909 4.222 2.382 1.00 0.00 C ATOM 695 C VAL A 51 -2.909 5.287 1.942 1.00 0.00 C ATOM 696 O VAL A 51 -3.428 5.243 0.827 1.00 0.00 O ATOM 697 CB VAL A 51 -0.615 4.378 1.560 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.049 5.713 1.855 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.340 3.226 1.838 1.00 0.00 C ATOM 0 H VAL A 51 -2.821 2.671 1.307 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.677 4.358 3.438 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.876 4.355 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.961 5.804 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.633 6.523 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.296 5.770 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.247 3.355 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.595 3.213 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.138 2.284 1.568 1.00 0.00 H new ATOM 709 N VAL A 52 -3.174 6.242 2.827 1.00 0.00 N ATOM 710 CA VAL A 52 -4.111 7.319 2.531 1.00 0.00 C ATOM 711 C VAL A 52 -3.396 8.514 1.912 1.00 0.00 C ATOM 712 O VAL A 52 -2.748 9.293 2.612 1.00 0.00 O ATOM 713 CB VAL A 52 -4.857 7.780 3.798 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.956 8.769 3.443 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.427 6.585 4.546 1.00 0.00 C ATOM 0 H VAL A 52 -2.753 6.292 3.755 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.834 6.922 1.818 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.145 8.284 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.471 9.082 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.518 9.640 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.668 8.295 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.950 6.930 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.124 6.050 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.616 5.917 4.837 1.00 0.00 H new ATOM 725 N LEU A 53 -3.517 8.654 0.597 1.00 0.00 N ATOM 726 CA LEU A 53 -2.880 9.755 -0.117 1.00 0.00 C ATOM 727 C LEU A 53 -3.489 11.093 0.293 1.00 0.00 C ATOM 728 O LEU A 53 -4.709 11.235 0.368 1.00 0.00 O ATOM 729 CB LEU A 53 -3.020 9.560 -1.628 1.00 0.00 C ATOM 730 CG LEU A 53 -1.928 8.707 -2.275 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.187 8.548 -3.765 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.558 9.322 -2.031 1.00 0.00 C ATOM 0 H LEU A 53 -4.050 8.019 0.003 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.822 9.761 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.987 9.100 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.026 10.539 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.947 7.718 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.400 7.938 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.151 8.062 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.196 9.529 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.207 8.702 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.527 10.323 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.372 9.382 -0.959 1.00 0.00 H new ATOM 744 N ASP A 54 -2.628 12.070 0.560 1.00 0.00 N ATOM 745 CA ASP A 54 -3.080 13.396 0.964 1.00 0.00 C ATOM 746 C ASP A 54 -3.928 14.039 -0.129 1.00 0.00 C ATOM 747 O ASP A 54 -4.850 14.804 0.157 1.00 0.00 O ATOM 748 CB ASP A 54 -1.879 14.288 1.290 1.00 0.00 C ATOM 749 CG ASP A 54 -2.003 14.952 2.648 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.874 15.833 2.800 1.00 0.00 O ATOM 751 OD2 ASP A 54 -1.230 14.588 3.558 1.00 0.00 O ATOM 0 H ASP A 54 -1.615 11.968 0.504 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.696 13.288 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.968 13.690 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.780 15.055 0.522 1.00 0.00 H new ATOM 756 N ASP A 55 -3.611 13.723 -1.380 1.00 0.00 N ATOM 757 CA ASP A 55 -4.344 14.271 -2.516 1.00 0.00 C ATOM 758 C ASP A 55 -5.375 13.270 -3.033 1.00 0.00 C ATOM 759 O ASP A 55 -5.168 12.059 -2.958 1.00 0.00 O ATOM 760 CB ASP A 55 -3.377 14.651 -3.638 1.00 0.00 C ATOM 761 CG ASP A 55 -2.364 15.691 -3.201 1.00 0.00 C ATOM 762 OD1 ASP A 55 -1.636 15.435 -2.220 1.00 0.00 O ATOM 763 OD2 ASP A 55 -2.300 16.762 -3.841 1.00 0.00 O ATOM 0 H ASP A 55 -2.852 13.091 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.869 15.165 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.853 13.759 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.943 15.033 -4.488 1.00 0.00 H new ATOM 768 N PRO A 56 -6.505 13.766 -3.566 1.00 0.00 N ATOM 769 CA PRO A 56 -7.570 12.908 -4.096 1.00 0.00 C ATOM 770 C PRO A 56 -7.177 12.242 -5.411 1.00 0.00 C ATOM 771 O PRO A 56 -7.803 12.471 -6.446 1.00 0.00 O ATOM 772 CB PRO A 56 -8.731 13.880 -4.311 1.00 0.00 C ATOM 773 CG PRO A 56 -8.080 15.201 -4.536 1.00 0.00 C ATOM 774 CD PRO A 56 -6.834 15.199 -3.693 1.00 0.00 C ATOM 0 HA PRO A 56 -7.806 12.084 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.339 13.587 -5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.391 13.906 -3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.838 15.342 -5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.744 16.017 -4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.027 15.755 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.007 15.659 -2.720 1.00 0.00 H new ATOM 782 N VAL A 57 -6.135 11.418 -5.363 1.00 0.00 N ATOM 783 CA VAL A 57 -5.659 10.719 -6.550 1.00 0.00 C ATOM 784 C VAL A 57 -5.216 9.300 -6.211 1.00 0.00 C ATOM 785 O VAL A 57 -4.305 8.756 -6.836 1.00 0.00 O ATOM 786 CB VAL A 57 -4.486 11.467 -7.211 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.968 12.756 -7.857 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.392 11.749 -6.191 1.00 0.00 C ATOM 0 H VAL A 57 -5.605 11.218 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.494 10.679 -7.249 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.069 10.832 -7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.124 13.269 -8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.713 12.525 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.413 13.399 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.571 12.278 -6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.795 12.363 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.026 10.808 -5.781 1.00 0.00 H new ATOM 798 N GLY A 58 -5.865 8.705 -5.216 1.00 0.00 N ATOM 799 CA GLY A 58 -5.524 7.353 -4.810 1.00 0.00 C ATOM 800 C GLY A 58 -6.115 6.304 -5.731 1.00 0.00 C ATOM 801 O GLY A 58 -5.938 6.366 -6.948 1.00 0.00 O ATOM 0 H GLY A 58 -6.621 9.134 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.439 7.245 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.879 7.182 -3.794 1.00 0.00 H new ATOM 805 N LYS A 59 -6.816 5.337 -5.150 1.00 0.00 N ATOM 806 CA LYS A 59 -7.435 4.268 -5.925 1.00 0.00 C ATOM 807 C LYS A 59 -8.815 3.924 -5.375 1.00 0.00 C ATOM 808 O LYS A 59 -9.816 4.005 -6.087 1.00 0.00 O ATOM 809 CB LYS A 59 -6.545 3.024 -5.918 1.00 0.00 C ATOM 810 CG LYS A 59 -5.271 3.183 -6.732 1.00 0.00 C ATOM 811 CD LYS A 59 -5.539 3.035 -8.221 1.00 0.00 C ATOM 812 CE LYS A 59 -4.457 3.706 -9.050 1.00 0.00 C ATOM 813 NZ LYS A 59 -3.294 2.805 -9.277 1.00 0.00 N ATOM 0 H LYS A 59 -6.970 5.271 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.551 4.618 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.281 2.782 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.113 2.179 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.832 4.161 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.541 2.437 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.593 1.977 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.508 3.472 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.872 4.012 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.122 4.612 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.578 3.299 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.882 2.533 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.609 1.952 -9.782 1.00 0.00 H new ATOM 827 N ASN A 60 -8.859 3.541 -4.103 1.00 0.00 N ATOM 828 CA ASN A 60 -10.117 3.184 -3.456 1.00 0.00 C ATOM 829 C ASN A 60 -10.494 4.214 -2.395 1.00 0.00 C ATOM 830 O ASN A 60 -9.848 5.254 -2.269 1.00 0.00 O ATOM 831 CB ASN A 60 -10.012 1.796 -2.821 1.00 0.00 C ATOM 832 CG ASN A 60 -9.448 0.764 -3.778 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.184 0.148 -4.548 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.136 0.570 -3.732 1.00 0.00 N ATOM 0 H ASN A 60 -8.039 3.470 -3.500 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.897 3.170 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.378 1.851 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.999 1.477 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.699 -0.113 -4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.564 1.104 -3.077 1.00 0.00 H new ATOM 841 N ASP A 61 -11.542 3.916 -1.635 1.00 0.00 N ATOM 842 CA ASP A 61 -12.004 4.816 -0.584 1.00 0.00 C ATOM 843 C ASP A 61 -11.971 4.126 0.775 1.00 0.00 C ATOM 844 O ASP A 61 -12.818 4.380 1.633 1.00 0.00 O ATOM 845 CB ASP A 61 -13.423 5.302 -0.888 1.00 0.00 C ATOM 846 CG ASP A 61 -14.415 4.161 -0.993 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.543 3.583 -2.092 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.066 3.844 0.026 1.00 0.00 O ATOM 0 H ASP A 61 -12.087 3.059 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.332 5.674 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.745 5.988 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.419 5.864 -1.822 1.00 0.00 H new ATOM 853 N GLY A 62 -10.988 3.252 0.966 1.00 0.00 N ATOM 854 CA GLY A 62 -10.864 2.539 2.224 1.00 0.00 C ATOM 855 C GLY A 62 -11.283 1.087 2.111 1.00 0.00 C ATOM 856 O GLY A 62 -10.592 0.195 2.602 1.00 0.00 O ATOM 0 H GLY A 62 -10.275 3.025 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.831 2.590 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.475 3.033 2.980 1.00 0.00 H new ATOM 860 N ALA A 63 -12.419 0.850 1.463 1.00 0.00 N ATOM 861 CA ALA A 63 -12.930 -0.505 1.288 1.00 0.00 C ATOM 862 C ALA A 63 -12.728 -0.985 -0.145 1.00 0.00 C ATOM 863 O ALA A 63 -12.866 -0.215 -1.095 1.00 0.00 O ATOM 864 CB ALA A 63 -14.403 -0.564 1.663 1.00 0.00 C ATOM 0 H ALA A 63 -13.003 1.578 1.051 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.371 -1.168 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.772 -1.581 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.525 -0.269 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.968 0.115 1.025 1.00 0.00 H new ATOM 870 N VAL A 64 -12.399 -2.265 -0.293 1.00 0.00 N ATOM 871 CA VAL A 64 -12.178 -2.850 -1.609 1.00 0.00 C ATOM 872 C VAL A 64 -13.055 -4.079 -1.817 1.00 0.00 C ATOM 873 O VAL A 64 -13.018 -5.022 -1.027 1.00 0.00 O ATOM 874 CB VAL A 64 -10.702 -3.246 -1.809 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.459 -3.707 -3.239 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.783 -2.087 -1.453 1.00 0.00 C ATOM 0 H VAL A 64 -12.280 -2.916 0.483 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.443 -2.088 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.477 -4.077 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.411 -3.982 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.088 -4.571 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.704 -2.899 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.745 -2.387 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.009 -1.234 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.935 -1.809 -0.410 1.00 0.00 H new ATOM 886 N GLY A 65 -13.845 -4.063 -2.886 1.00 0.00 N ATOM 887 CA GLY A 65 -14.721 -5.181 -3.178 1.00 0.00 C ATOM 888 C GLY A 65 -15.841 -5.322 -2.167 1.00 0.00 C ATOM 889 O GLY A 65 -16.950 -4.836 -2.389 1.00 0.00 O ATOM 0 H GLY A 65 -13.894 -3.295 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.148 -5.053 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.136 -6.101 -3.198 1.00 0.00 H new ATOM 893 N GLY A 66 -15.551 -5.988 -1.054 1.00 0.00 N ATOM 894 CA GLY A 66 -16.554 -6.179 -0.022 1.00 0.00 C ATOM 895 C GLY A 66 -15.951 -6.243 1.368 1.00 0.00 C ATOM 896 O GLY A 66 -16.486 -6.910 2.254 1.00 0.00 O ATOM 0 H GLY A 66 -14.640 -6.399 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.275 -5.363 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.103 -7.100 -0.219 1.00 0.00 H new ATOM 900 N VAL A 67 -14.834 -5.549 1.559 1.00 0.00 N ATOM 901 CA VAL A 67 -14.157 -5.530 2.850 1.00 0.00 C ATOM 902 C VAL A 67 -13.736 -4.115 3.228 1.00 0.00 C ATOM 903 O VAL A 67 -13.254 -3.355 2.387 1.00 0.00 O ATOM 904 CB VAL A 67 -12.915 -6.440 2.847 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.338 -6.562 4.250 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.257 -7.810 2.282 1.00 0.00 C ATOM 0 H VAL A 67 -14.379 -4.992 0.836 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.869 -5.903 3.586 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.158 -5.988 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.461 -7.209 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.052 -5.575 4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.088 -6.990 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.367 -8.439 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.032 -8.273 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.618 -7.702 1.259 1.00 0.00 H new ATOM 916 N ARG A 68 -13.918 -3.766 4.497 1.00 0.00 N ATOM 917 CA ARG A 68 -13.555 -2.441 4.986 1.00 0.00 C ATOM 918 C ARG A 68 -12.321 -2.510 5.879 1.00 0.00 C ATOM 919 O ARG A 68 -12.342 -3.138 6.937 1.00 0.00 O ATOM 920 CB ARG A 68 -14.722 -1.818 5.754 1.00 0.00 C ATOM 921 CG ARG A 68 -14.880 -0.326 5.514 1.00 0.00 C ATOM 922 CD ARG A 68 -15.430 0.383 6.741 1.00 0.00 C ATOM 923 NE ARG A 68 -16.836 0.751 6.577 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.851 -0.084 6.789 1.00 0.00 C ATOM 925 NH1 ARG A 68 -17.625 -1.336 7.166 1.00 0.00 N ATOM 926 NH2 ARG A 68 -19.097 0.335 6.621 1.00 0.00 N ATOM 0 H ARG A 68 -14.315 -4.383 5.206 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.323 -1.815 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.645 -2.323 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.579 -1.993 6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.915 0.104 5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.548 -0.162 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.324 -0.264 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.841 1.279 6.936 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.052 1.704 6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.668 -1.665 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.408 -1.970 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.277 1.296 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.876 -0.303 6.783 1.00 0.00 H new ATOM 940 N TYR A 69 -11.245 -1.861 5.444 1.00 0.00 N ATOM 941 CA TYR A 69 -10.000 -1.850 6.203 1.00 0.00 C ATOM 942 C TYR A 69 -9.863 -0.558 7.004 1.00 0.00 C ATOM 943 O TYR A 69 -9.791 -0.583 8.232 1.00 0.00 O ATOM 944 CB TYR A 69 -8.804 -2.011 5.265 1.00 0.00 C ATOM 945 CG TYR A 69 -8.891 -3.230 4.374 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.747 -3.255 3.281 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.117 -4.356 4.629 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.830 -4.369 2.465 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.194 -5.472 3.817 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.051 -5.474 2.737 1.00 0.00 C ATOM 951 OH TYR A 69 -9.130 -6.584 1.928 1.00 0.00 O ATOM 0 H TYR A 69 -11.211 -1.336 4.570 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.021 -2.688 6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.720 -1.121 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.892 -2.071 5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.358 -2.391 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.445 -4.359 5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.502 -4.373 1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.585 -6.339 4.028 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.362 -6.309 1.016 1.00 0.00 H new ATOM 961 N PHE A 70 -9.828 0.568 6.299 1.00 0.00 N ATOM 962 CA PHE A 70 -9.699 1.869 6.944 1.00 0.00 C ATOM 963 C PHE A 70 -10.727 2.854 6.394 1.00 0.00 C ATOM 964 O PHE A 70 -10.991 2.884 5.192 1.00 0.00 O ATOM 965 CB PHE A 70 -8.288 2.423 6.744 1.00 0.00 C ATOM 966 CG PHE A 70 -7.845 2.433 5.308 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.328 1.289 4.721 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.944 3.586 4.547 1.00 0.00 C ATOM 969 CE1 PHE A 70 -6.919 1.295 3.401 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.537 3.598 3.226 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.024 2.451 2.652 1.00 0.00 C ATOM 0 H PHE A 70 -9.887 0.606 5.281 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.883 1.737 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.247 3.439 7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.586 1.827 7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.244 0.382 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.344 4.486 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.518 0.397 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.620 4.503 2.643 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.706 2.458 1.620 1.00 0.00 H new ATOM 981 N GLU A 71 -11.303 3.656 7.283 1.00 0.00 N ATOM 982 CA GLU A 71 -12.302 4.642 6.887 1.00 0.00 C ATOM 983 C GLU A 71 -11.640 5.963 6.502 1.00 0.00 C ATOM 984 O GLU A 71 -11.134 6.687 7.357 1.00 0.00 O ATOM 985 CB GLU A 71 -13.302 4.870 8.024 1.00 0.00 C ATOM 986 CG GLU A 71 -14.580 4.060 7.880 1.00 0.00 C ATOM 987 CD GLU A 71 -15.754 4.901 7.418 1.00 0.00 C ATOM 988 OE1 GLU A 71 -16.384 5.560 8.272 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.045 4.901 6.203 1.00 0.00 O ATOM 0 H GLU A 71 -11.096 3.643 8.282 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.833 4.256 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.826 4.617 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.556 5.929 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.415 3.251 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.823 3.598 8.837 1.00 0.00 H new ATOM 996 N CYS A 72 -11.648 6.266 5.208 1.00 0.00 N ATOM 997 CA CYS A 72 -11.048 7.498 4.710 1.00 0.00 C ATOM 998 C CYS A 72 -11.791 8.005 3.475 1.00 0.00 C ATOM 999 O CYS A 72 -12.512 7.251 2.822 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.572 7.272 4.373 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.515 7.032 5.820 1.00 0.00 S ATOM 0 H CYS A 72 -12.063 5.676 4.486 1.00 0.00 H new ATOM 0 HA CYS A 72 -11.124 8.252 5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.487 6.399 3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.205 8.127 3.805 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.255 6.909 6.882 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.625 9.296 3.139 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.284 9.900 1.977 1.00 0.00 C ATOM 1009 C PRO A 73 -12.048 9.104 0.697 1.00 0.00 C ATOM 1010 O PRO A 73 -11.146 8.268 0.633 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.632 11.281 1.875 1.00 0.00 C ATOM 1012 CG PRO A 73 -11.170 11.585 3.258 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.782 10.265 3.865 1.00 0.00 C ATOM 0 HA PRO A 73 -13.367 9.933 2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.799 11.275 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.342 12.029 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.324 12.272 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.960 12.064 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.721 10.056 3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.976 10.243 4.937 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.864 9.368 -0.316 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.743 8.676 -1.594 1.00 0.00 C ATOM 1023 C ALA A 74 -11.531 9.171 -2.376 1.00 0.00 C ATOM 1024 O ALA A 74 -11.065 10.292 -2.172 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.012 8.858 -2.414 1.00 0.00 C ATOM 0 H ALA A 74 -13.616 10.056 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.602 7.614 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.908 8.336 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.861 8.449 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.177 9.920 -2.598 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.027 8.329 -3.271 1.00 0.00 N ATOM 1032 CA LEU A 75 -9.868 8.681 -4.085 1.00 0.00 C ATOM 1033 C LEU A 75 -8.657 8.977 -3.207 1.00 0.00 C ATOM 1034 O LEU A 75 -7.791 9.772 -3.575 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.186 9.893 -4.963 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.586 9.896 -5.580 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.879 11.240 -6.228 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.723 8.772 -6.595 1.00 0.00 C ATOM 0 H LEU A 75 -11.402 7.398 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.631 7.830 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.067 10.797 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.451 9.943 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.314 9.732 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.879 11.224 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.822 12.027 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.146 11.434 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.725 8.789 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.987 8.906 -7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.556 7.814 -6.102 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.600 8.335 -2.045 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.493 8.530 -1.116 1.00 0.00 C ATOM 1052 C GLN A 76 -6.944 7.193 -0.631 1.00 0.00 C ATOM 1053 O GLN A 76 -5.731 6.991 -0.576 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.945 9.372 0.078 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.966 10.866 -0.204 1.00 0.00 C ATOM 1056 CD GLN A 76 -8.079 11.695 1.060 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.971 12.535 1.187 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.174 11.465 2.003 1.00 0.00 N ATOM 0 H GLN A 76 -9.308 7.675 -1.724 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.698 9.057 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.943 9.054 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.281 9.179 0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.057 11.144 -0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.804 11.096 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.452 10.759 1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.200 11.994 2.875 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.846 6.285 -0.283 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.438 4.977 0.193 1.00 0.00 C ATOM 1069 C GLY A 77 -6.861 4.112 -0.909 1.00 0.00 C ATOM 1070 O GLY A 77 -7.575 3.322 -1.527 1.00 0.00 O ATOM 0 H GLY A 77 -8.855 6.431 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.696 5.097 0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.296 4.471 0.636 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.563 4.260 -1.158 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.890 3.486 -2.192 1.00 0.00 C ATOM 1076 C ILE A 78 -4.238 2.238 -1.607 1.00 0.00 C ATOM 1077 O ILE A 78 -3.725 2.259 -0.488 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.818 4.329 -2.916 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.186 3.526 -4.055 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.754 4.795 -1.933 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.400 4.375 -5.029 1.00 0.00 C ATOM 0 H ILE A 78 -4.957 4.910 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.651 3.187 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.299 5.209 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.527 2.768 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.971 2.999 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.006 5.388 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.218 5.403 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.275 3.928 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.981 3.740 -5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.060 5.116 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.592 4.882 -4.501 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.261 1.150 -2.370 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.673 -0.110 -1.928 1.00 0.00 C ATOM 1095 C PHE A 79 -2.478 -0.485 -2.798 1.00 0.00 C ATOM 1096 O PHE A 79 -2.541 -0.408 -4.025 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.719 -1.225 -1.964 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.360 -1.489 -0.632 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.723 -2.275 0.316 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.601 -0.951 -0.327 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -5.311 -2.519 1.543 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.194 -1.193 0.898 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.548 -1.977 1.834 1.00 0.00 C ATOM 0 H PHE A 79 -4.681 1.115 -3.299 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.326 0.017 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.493 -0.963 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.249 -2.142 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.756 -2.702 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.110 -0.336 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.804 -3.132 2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.162 -0.769 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.009 -2.166 2.792 1.00 0.00 H new ATOM 1113 N THR A 80 -1.389 -0.894 -2.155 1.00 0.00 N ATOM 1114 CA THR A 80 -0.179 -1.284 -2.868 1.00 0.00 C ATOM 1115 C THR A 80 0.715 -2.152 -1.989 1.00 0.00 C ATOM 1116 O THR A 80 0.382 -2.439 -0.839 1.00 0.00 O ATOM 1117 CB THR A 80 0.588 -0.043 -3.328 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.770 -0.410 -4.016 1.00 0.00 O ATOM 1119 CG2 THR A 80 0.985 0.871 -2.188 1.00 0.00 C ATOM 0 H THR A 80 -1.320 -0.964 -1.140 1.00 0.00 H new ATOM 0 HA THR A 80 -0.473 -1.866 -3.741 1.00 0.00 H new ATOM 0 HB THR A 80 -0.098 0.495 -3.982 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.245 0.397 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.525 1.731 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.091 1.212 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.625 0.328 -1.493 1.00 0.00 H new ATOM 1127 N ARG A 81 1.852 -2.569 -2.536 1.00 0.00 N ATOM 1128 CA ARG A 81 2.793 -3.404 -1.801 1.00 0.00 C ATOM 1129 C ARG A 81 3.639 -2.561 -0.847 1.00 0.00 C ATOM 1130 O ARG A 81 4.084 -1.470 -1.202 1.00 0.00 O ATOM 1131 CB ARG A 81 3.702 -4.161 -2.770 1.00 0.00 C ATOM 1132 CG ARG A 81 2.992 -5.271 -3.530 1.00 0.00 C ATOM 1133 CD ARG A 81 3.629 -5.515 -4.889 1.00 0.00 C ATOM 1134 NE ARG A 81 2.667 -5.365 -5.979 1.00 0.00 N ATOM 1135 CZ ARG A 81 2.874 -5.808 -7.217 1.00 0.00 C ATOM 1136 NH1 ARG A 81 4.007 -6.428 -7.526 1.00 0.00 N ATOM 1137 NH2 ARG A 81 1.948 -5.631 -8.148 1.00 0.00 N ATOM 0 H ARG A 81 2.144 -2.342 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 81 2.220 -4.122 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.125 -3.455 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.536 -4.589 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.020 -6.190 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.942 -5.009 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.453 -4.816 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.054 -6.519 -4.916 1.00 0.00 H new ATOM 0 HE ARG A 81 1.785 -4.893 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.723 -6.567 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.161 -6.766 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.076 -5.155 -7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.107 -5.971 -9.097 1.00 0.00 H new ATOM 1151 N PRO A 82 3.876 -3.057 0.382 1.00 0.00 N ATOM 1152 CA PRO A 82 4.675 -2.338 1.381 1.00 0.00 C ATOM 1153 C PRO A 82 6.039 -1.923 0.841 1.00 0.00 C ATOM 1154 O PRO A 82 6.508 -0.814 1.097 1.00 0.00 O ATOM 1155 CB PRO A 82 4.835 -3.356 2.512 1.00 0.00 C ATOM 1156 CG PRO A 82 3.670 -4.273 2.367 1.00 0.00 C ATOM 1157 CD PRO A 82 3.388 -4.352 0.892 1.00 0.00 C ATOM 0 HA PRO A 82 4.197 -1.409 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.777 -3.897 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.835 -2.868 3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.896 -5.258 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.805 -3.894 2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.909 -5.189 0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.325 -4.488 0.693 1.00 0.00 H new ATOM 1165 N SER A 83 6.672 -2.821 0.093 1.00 0.00 N ATOM 1166 CA SER A 83 7.984 -2.550 -0.483 1.00 0.00 C ATOM 1167 C SER A 83 7.935 -1.336 -1.404 1.00 0.00 C ATOM 1168 O SER A 83 8.886 -0.557 -1.472 1.00 0.00 O ATOM 1169 CB SER A 83 8.486 -3.770 -1.255 1.00 0.00 C ATOM 1170 OG SER A 83 9.266 -4.615 -0.425 1.00 0.00 O ATOM 0 H SER A 83 6.297 -3.743 -0.129 1.00 0.00 H new ATOM 0 HA SER A 83 8.674 -2.335 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.637 -4.328 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.080 -3.444 -2.109 1.00 0.00 H new ATOM 0 HG SER A 83 9.573 -5.389 -0.942 1.00 0.00 H new ATOM 1176 N LYS A 84 6.821 -1.181 -2.113 1.00 0.00 N ATOM 1177 CA LYS A 84 6.650 -0.061 -3.031 1.00 0.00 C ATOM 1178 C LYS A 84 6.709 1.269 -2.287 1.00 0.00 C ATOM 1179 O LYS A 84 7.131 2.284 -2.841 1.00 0.00 O ATOM 1180 CB LYS A 84 5.319 -0.184 -3.775 1.00 0.00 C ATOM 1181 CG LYS A 84 5.255 -1.378 -4.714 1.00 0.00 C ATOM 1182 CD LYS A 84 5.834 -1.044 -6.080 1.00 0.00 C ATOM 1183 CE LYS A 84 6.636 -2.206 -6.644 1.00 0.00 C ATOM 1184 NZ LYS A 84 6.471 -2.332 -8.117 1.00 0.00 N ATOM 0 H LYS A 84 6.024 -1.816 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 84 7.467 -0.088 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.511 -0.261 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.147 0.727 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.804 -2.214 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.220 -1.700 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.026 -0.791 -6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.473 -0.164 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.691 -2.067 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.321 -3.132 -6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.034 -3.136 -8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.468 -2.490 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.796 -1.459 -8.579 1.00 0.00 H new ATOM 1198 N LEU A 85 6.284 1.257 -1.028 1.00 0.00 N ATOM 1199 CA LEU A 85 6.290 2.463 -0.208 1.00 0.00 C ATOM 1200 C LEU A 85 7.712 2.843 0.193 1.00 0.00 C ATOM 1201 O LEU A 85 8.533 1.977 0.497 1.00 0.00 O ATOM 1202 CB LEU A 85 5.432 2.260 1.042 1.00 0.00 C ATOM 1203 CG LEU A 85 4.038 1.684 0.785 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.361 1.320 2.098 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.190 2.674 0.002 1.00 0.00 C ATOM 0 H LEU A 85 5.931 0.426 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 85 5.870 3.276 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.963 1.596 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.324 3.219 1.550 1.00 0.00 H new ATOM 0 HG LEU A 85 4.143 0.776 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.371 0.912 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.960 0.575 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.266 2.211 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.202 2.249 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.092 3.599 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.668 2.885 -0.955 1.00 0.00 H new ATOM 1217 N THR A 86 7.994 4.141 0.191 1.00 0.00 N ATOM 1218 CA THR A 86 9.317 4.635 0.555 1.00 0.00 C ATOM 1219 C THR A 86 9.211 5.837 1.488 1.00 0.00 C ATOM 1220 O THR A 86 8.116 6.334 1.752 1.00 0.00 O ATOM 1221 CB THR A 86 10.104 5.018 -0.699 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.474 6.088 -1.380 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.258 3.875 -1.680 1.00 0.00 C ATOM 0 H THR A 86 7.325 4.870 -0.058 1.00 0.00 H new ATOM 0 HA THR A 86 9.844 3.837 1.077 1.00 0.00 H new ATOM 0 HB THR A 86 11.093 5.306 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.532 5.866 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.826 4.213 -2.547 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.786 3.052 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.273 3.536 -2.001 1.00 0.00 H new ATOM 1231 N ARG A 87 10.353 6.300 1.984 1.00 0.00 N ATOM 1232 CA ARG A 87 10.386 7.444 2.887 1.00 0.00 C ATOM 1233 C ARG A 87 11.106 8.629 2.248 1.00 0.00 C ATOM 1234 O ARG A 87 11.609 9.510 2.946 1.00 0.00 O ATOM 1235 CB ARG A 87 11.073 7.065 4.200 1.00 0.00 C ATOM 1236 CG ARG A 87 10.488 5.825 4.857 1.00 0.00 C ATOM 1237 CD ARG A 87 11.419 5.267 5.922 1.00 0.00 C ATOM 1238 NE ARG A 87 11.376 3.809 5.976 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.978 3.014 5.095 1.00 0.00 C ATOM 1240 NH1 ARG A 87 12.672 3.535 4.089 1.00 0.00 N ATOM 1241 NH2 ARG A 87 11.888 1.698 5.219 1.00 0.00 N ATOM 0 H ARG A 87 11.268 5.901 1.776 1.00 0.00 H new ATOM 0 HA ARG A 87 9.357 7.738 3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.134 6.900 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.000 7.903 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.525 6.070 5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.302 5.064 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.439 5.592 5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.143 5.674 6.895 1.00 0.00 H new ATOM 0 HE ARG A 87 10.853 3.373 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.745 4.548 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.132 2.922 3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.357 1.294 5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.350 1.089 4.543 1.00 0.00 H new ATOM 1255 N GLN A 88 11.152 8.646 0.919 1.00 0.00 N ATOM 1256 CA GLN A 88 11.810 9.725 0.192 1.00 0.00 C ATOM 1257 C GLN A 88 11.272 9.829 -1.234 1.00 0.00 C ATOM 1258 O GLN A 88 10.974 8.817 -1.867 1.00 0.00 O ATOM 1259 CB GLN A 88 13.324 9.500 0.161 1.00 0.00 C ATOM 1260 CG GLN A 88 14.032 9.927 1.436 1.00 0.00 C ATOM 1261 CD GLN A 88 13.740 11.367 1.812 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.669 12.260 1.496 1.00 0.00 O flip ATOM 1263 NE2 GLN A 88 12.691 11.673 2.379 1.00 0.00 N flip ATOM 0 H GLN A 88 10.742 7.925 0.325 1.00 0.00 H new ATOM 0 HA GLN A 88 11.598 10.660 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.522 8.443 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.747 10.049 -0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.727 9.273 2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.107 9.799 1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.004 10.953 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.509 12.646 2.624 1.00 0.00 H new ATOM 1272 N PRO A 89 11.139 11.059 -1.761 1.00 0.00 N ATOM 1273 CA PRO A 89 10.635 11.285 -3.117 1.00 0.00 C ATOM 1274 C PRO A 89 11.671 10.948 -4.185 1.00 0.00 C ATOM 1275 O PRO A 89 12.646 11.676 -4.370 1.00 0.00 O ATOM 1276 CB PRO A 89 10.323 12.781 -3.129 1.00 0.00 C ATOM 1277 CG PRO A 89 11.275 13.368 -2.145 1.00 0.00 C ATOM 1278 CD PRO A 89 11.470 12.325 -1.077 1.00 0.00 C ATOM 0 HA PRO A 89 9.777 10.653 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.465 13.208 -4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.289 12.973 -2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.222 13.619 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.877 14.290 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.493 12.322 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.818 12.501 -0.222 1.00 0.00 H new ATOM 1286 N SER A 90 11.452 9.840 -4.886 1.00 0.00 N ATOM 1287 CA SER A 90 12.367 9.405 -5.935 1.00 0.00 C ATOM 1288 C SER A 90 11.679 9.421 -7.297 1.00 0.00 C ATOM 1289 O SER A 90 10.471 9.207 -7.395 1.00 0.00 O ATOM 1290 CB SER A 90 12.893 8.001 -5.634 1.00 0.00 C ATOM 1291 OG SER A 90 14.103 8.056 -4.899 1.00 0.00 O ATOM 0 H SER A 90 10.649 9.227 -4.746 1.00 0.00 H new ATOM 0 HA SER A 90 13.206 10.101 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.146 7.443 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.055 7.462 -6.568 1.00 0.00 H new ATOM 0 HG SER A 90 14.417 7.146 -4.718 1.00 0.00 H new ATOM 1297 N GLY A 91 12.455 9.677 -8.345 1.00 0.00 N ATOM 1298 CA GLY A 91 11.901 9.715 -9.686 1.00 0.00 C ATOM 1299 C GLY A 91 12.756 8.961 -10.689 1.00 0.00 C ATOM 1300 O GLY A 91 13.984 9.003 -10.613 1.00 0.00 O ATOM 0 H GLY A 91 13.457 9.859 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.898 9.287 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.801 10.752 -10.005 1.00 0.00 H new ATOM 1304 N PRO A 92 12.133 8.255 -11.650 1.00 0.00 N ATOM 1305 CA PRO A 92 12.864 7.492 -12.667 1.00 0.00 C ATOM 1306 C PRO A 92 13.882 8.349 -13.413 1.00 0.00 C ATOM 1307 O PRO A 92 13.632 9.521 -13.696 1.00 0.00 O ATOM 1308 CB PRO A 92 11.764 7.019 -13.623 1.00 0.00 C ATOM 1309 CG PRO A 92 10.522 7.016 -12.801 1.00 0.00 C ATOM 1310 CD PRO A 92 10.672 8.145 -11.821 1.00 0.00 C ATOM 0 HA PRO A 92 13.441 6.679 -12.226 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.670 7.687 -14.479 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.981 6.026 -14.016 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.640 7.156 -13.426 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.398 6.064 -12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.241 9.070 -12.204 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.172 7.927 -10.877 1.00 0.00 H new ATOM 1318 N SER A 93 15.029 7.757 -13.729 1.00 0.00 N ATOM 1319 CA SER A 93 16.084 8.467 -14.443 1.00 0.00 C ATOM 1320 C SER A 93 15.760 8.569 -15.931 1.00 0.00 C ATOM 1321 O SER A 93 15.009 7.756 -16.469 1.00 0.00 O ATOM 1322 CB SER A 93 17.426 7.758 -14.247 1.00 0.00 C ATOM 1323 OG SER A 93 18.460 8.689 -13.982 1.00 0.00 O ATOM 0 H SER A 93 15.252 6.788 -13.502 1.00 0.00 H new ATOM 0 HA SER A 93 16.151 9.476 -14.035 1.00 0.00 H new ATOM 0 HB2 SER A 93 17.350 7.050 -13.422 1.00 0.00 H new ATOM 0 HB3 SER A 93 17.671 7.182 -15.140 1.00 0.00 H new ATOM 0 HG SER A 93 19.307 8.211 -13.859 1.00 0.00 H new ATOM 1329 N SER A 94 16.331 9.573 -16.587 1.00 0.00 N ATOM 1330 CA SER A 94 16.103 9.782 -18.012 1.00 0.00 C ATOM 1331 C SER A 94 17.159 9.060 -18.845 1.00 0.00 C ATOM 1332 O SER A 94 17.775 9.649 -19.734 1.00 0.00 O ATOM 1333 CB SER A 94 16.111 11.277 -18.337 1.00 0.00 C ATOM 1334 OG SER A 94 14.923 11.904 -17.887 1.00 0.00 O ATOM 0 H SER A 94 16.955 10.255 -16.155 1.00 0.00 H new ATOM 0 HA SER A 94 15.126 9.369 -18.263 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.975 11.749 -17.869 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.215 11.418 -19.413 1.00 0.00 H new ATOM 0 HG SER A 94 14.954 12.859 -18.105 1.00 0.00 H new ATOM 1340 N GLY A 95 17.363 7.780 -18.549 1.00 0.00 N ATOM 1341 CA GLY A 95 18.345 6.998 -19.279 1.00 0.00 C ATOM 1342 C GLY A 95 17.725 6.187 -20.399 1.00 0.00 C ATOM 1343 O GLY A 95 18.107 6.400 -21.568 1.00 0.00 O ATOM 1344 OXT GLY A 95 16.857 5.338 -20.107 1.00 0.00 O ATOM 0 H GLY A 95 16.867 7.271 -17.818 1.00 0.00 H new ATOM 0 HA2 GLY A 95 19.101 7.665 -19.693 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.856 6.327 -18.589 1.00 0.00 H new TER 1348 GLY A 95