USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 255 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 30:sc= 1.1 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 40:sc= 1.3 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.46) USER MOD Single : A 22 HIS : no HE2:sc= 0.181 K(o=0.18,f=-1.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 37:sc= 0.0743 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.083 F(o=-2.9!,f=-0.083) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 2 -43.329 10.813 44.641 1.00 0.00 N ATOM 26 CA LEU A 2 -41.840 10.707 44.657 1.00 0.00 C ATOM 27 C LEU A 2 -40.939 12.007 44.581 1.00 0.00 C ATOM 28 O LEU A 2 -40.084 12.166 45.448 1.00 0.00 O ATOM 29 CB LEU A 2 -41.338 9.634 43.625 1.00 0.00 C ATOM 30 CG LEU A 2 -42.228 9.039 42.494 1.00 0.00 C ATOM 31 CD1 LEU A 2 -41.349 8.652 41.302 1.00 0.00 C ATOM 32 CD2 LEU A 2 -42.987 7.793 42.954 1.00 0.00 C ATOM 0 HA LEU A 2 -41.682 10.405 45.692 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -40.467 10.067 43.133 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -40.984 8.787 44.213 1.00 0.00 H new ATOM 0 HG LEU A 2 -42.953 9.804 42.217 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -41.972 8.236 40.511 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -40.832 9.536 40.929 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -40.617 7.908 41.616 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -43.594 7.413 42.132 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -42.276 7.027 43.264 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -43.633 8.050 43.794 1.00 0.00 H new ATOM 44 N PRO A 3 -40.870 12.815 43.488 1.00 0.00 N ATOM 45 CA PRO A 3 -39.601 12.868 42.694 1.00 0.00 C ATOM 46 C PRO A 3 -38.205 13.420 43.170 1.00 0.00 C ATOM 47 O PRO A 3 -37.229 12.846 42.659 1.00 0.00 O ATOM 48 CB PRO A 3 -40.085 13.243 41.284 1.00 0.00 C ATOM 49 CG PRO A 3 -41.424 13.923 41.518 1.00 0.00 C ATOM 50 CD PRO A 3 -41.999 12.969 42.562 1.00 0.00 C ATOM 0 HA PRO A 3 -39.123 11.899 42.841 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -39.381 13.910 40.786 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -40.191 12.361 40.652 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -41.319 14.942 41.891 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -42.033 13.975 40.615 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -42.878 13.385 43.055 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -42.300 12.018 42.124 1.00 0.00 H new ATOM 58 N PRO A 4 -37.956 14.404 44.092 1.00 0.00 N ATOM 59 CA PRO A 4 -36.577 14.690 44.593 1.00 0.00 C ATOM 60 C PRO A 4 -35.840 13.448 45.202 1.00 0.00 C ATOM 61 O PRO A 4 -36.184 12.918 46.263 1.00 0.00 O ATOM 62 CB PRO A 4 -36.791 15.808 45.618 1.00 0.00 C ATOM 63 CG PRO A 4 -38.251 15.656 46.053 1.00 0.00 C ATOM 64 CD PRO A 4 -38.991 15.185 44.796 1.00 0.00 C ATOM 0 HA PRO A 4 -35.910 14.976 43.779 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -36.112 15.705 46.465 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -36.608 16.789 45.179 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -38.349 14.933 46.863 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -38.655 16.600 46.418 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -39.862 14.577 45.041 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -39.346 16.023 44.196 1.00 0.00 H new ATOM 72 N GLY A 5 -34.880 12.943 44.424 1.00 0.00 N ATOM 73 CA GLY A 5 -34.427 11.543 44.559 1.00 0.00 C ATOM 74 C GLY A 5 -35.430 10.473 44.086 1.00 0.00 C ATOM 75 O GLY A 5 -36.089 9.912 44.961 1.00 0.00 O ATOM 0 H GLY A 5 -34.400 13.473 43.697 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -33.502 11.423 43.996 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -34.189 11.356 45.606 1.00 0.00 H new ATOM 79 N TRP A 6 -35.551 10.131 42.786 1.00 0.00 N ATOM 80 CA TRP A 6 -36.370 8.967 42.377 1.00 0.00 C ATOM 81 C TRP A 6 -35.708 7.992 41.374 1.00 0.00 C ATOM 82 O TRP A 6 -34.731 8.330 40.698 1.00 0.00 O ATOM 83 CB TRP A 6 -37.737 9.532 41.915 1.00 0.00 C ATOM 84 CG TRP A 6 -37.899 10.090 40.482 1.00 0.00 C ATOM 85 CD1 TRP A 6 -37.596 11.377 39.985 1.00 0.00 C ATOM 86 CD2 TRP A 6 -38.488 9.437 39.422 1.00 0.00 C ATOM 87 NE1 TRP A 6 -38.119 11.586 38.696 1.00 0.00 N ATOM 88 CE2 TRP A 6 -38.631 10.359 38.353 1.00 0.00 C ATOM 89 CE3 TRP A 6 -38.918 8.096 39.282 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -39.230 9.957 37.142 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -39.414 7.706 38.037 1.00 0.00 C ATOM 92 CH2 TRP A 6 -39.596 8.620 36.992 1.00 0.00 C ATOM 0 H TRP A 6 -35.104 10.630 42.017 1.00 0.00 H new ATOM 0 HA TRP A 6 -36.496 8.303 43.232 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -38.474 8.739 42.039 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -38.008 10.330 42.606 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -37.028 12.115 40.532 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -38.118 12.445 38.146 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -38.864 7.401 40.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -39.402 10.669 36.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -39.665 6.668 37.875 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -40.025 8.285 36.059 1.00 0.00 H new ATOM 103 N GLU A 7 -36.322 6.801 41.213 1.00 0.00 N ATOM 104 CA GLU A 7 -36.117 6.011 39.980 1.00 0.00 C ATOM 105 C GLU A 7 -37.342 5.059 39.699 1.00 0.00 C ATOM 106 O GLU A 7 -37.915 4.428 40.592 1.00 0.00 O ATOM 107 CB GLU A 7 -34.798 5.187 40.068 1.00 0.00 C ATOM 108 CG GLU A 7 -34.225 4.663 38.718 1.00 0.00 C ATOM 109 CD GLU A 7 -33.232 3.526 38.851 1.00 0.00 C ATOM 110 OE1 GLU A 7 -32.144 3.718 39.434 1.00 0.00 O ATOM 111 OE2 GLU A 7 -33.575 2.388 38.478 1.00 0.00 O ATOM 0 H GLU A 7 -36.946 6.375 41.898 1.00 0.00 H new ATOM 0 HA GLU A 7 -36.037 6.710 39.148 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -34.038 5.806 40.546 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -34.971 4.332 40.722 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -35.053 4.333 38.091 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -33.742 5.490 38.198 1.00 0.00 H new ATOM 118 N LYS A 8 -37.717 4.907 38.424 1.00 0.00 N ATOM 119 CA LYS A 8 -38.497 3.733 37.911 1.00 0.00 C ATOM 120 C LYS A 8 -37.729 2.378 38.122 1.00 0.00 C ATOM 121 O LYS A 8 -36.651 2.194 37.553 1.00 0.00 O ATOM 122 CB LYS A 8 -38.775 4.094 36.416 1.00 0.00 C ATOM 123 CG LYS A 8 -39.479 3.062 35.494 1.00 0.00 C ATOM 124 CD LYS A 8 -38.621 1.883 34.956 1.00 0.00 C ATOM 125 CE LYS A 8 -37.203 2.181 34.409 1.00 0.00 C ATOM 126 NZ LYS A 8 -37.239 3.037 33.191 1.00 0.00 N ATOM 0 H LYS A 8 -37.495 5.590 37.700 1.00 0.00 H new ATOM 0 HA LYS A 8 -39.429 3.563 38.450 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -39.377 5.003 36.407 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -37.818 4.341 35.957 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -40.323 2.642 36.041 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -39.889 3.599 34.638 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -38.518 1.156 35.761 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -39.187 1.399 34.160 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -36.614 2.675 35.181 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -36.700 1.242 34.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -36.269 3.211 32.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -37.779 2.555 32.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -37.695 3.944 33.417 1.00 0.00 H new ATOM 140 N ARG A 9 -38.248 1.435 38.929 1.00 0.00 N ATOM 141 CA ARG A 9 -37.501 0.233 39.352 1.00 0.00 C ATOM 142 C ARG A 9 -38.351 -1.009 39.008 1.00 0.00 C ATOM 143 O ARG A 9 -39.514 -1.141 39.377 1.00 0.00 O ATOM 144 CB ARG A 9 -37.185 0.271 40.866 1.00 0.00 C ATOM 145 CG ARG A 9 -36.142 1.338 41.240 1.00 0.00 C ATOM 146 CD ARG A 9 -35.389 1.037 42.554 1.00 0.00 C ATOM 147 NE ARG A 9 -34.353 2.072 42.842 1.00 0.00 N ATOM 148 CZ ARG A 9 -33.276 2.306 42.092 1.00 0.00 C ATOM 149 NH1 ARG A 9 -32.821 1.471 41.207 1.00 0.00 N ATOM 150 NH2 ARG A 9 -32.673 3.442 42.192 1.00 0.00 N ATOM 0 H ARG A 9 -39.194 1.483 39.306 1.00 0.00 H new ATOM 0 HA ARG A 9 -36.547 0.195 38.826 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -38.105 0.462 41.418 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.823 -0.708 41.180 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -35.419 1.426 40.429 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -36.639 2.304 41.330 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -36.099 0.993 43.379 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -34.917 0.057 42.487 1.00 0.00 H new ATOM 0 HE ARG A 9 -34.479 2.644 43.677 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -33.294 0.580 41.056 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -31.991 1.707 40.663 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -33.021 4.149 42.839 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -31.848 3.633 41.624 1.00 0.00 H new ATOM 164 N MET A 10 -37.724 -1.956 38.335 1.00 0.00 N ATOM 165 CA MET A 10 -38.248 -3.343 38.245 1.00 0.00 C ATOM 166 C MET A 10 -38.250 -4.111 39.601 1.00 0.00 C ATOM 167 O MET A 10 -37.259 -4.114 40.342 1.00 0.00 O ATOM 168 CB MET A 10 -37.513 -4.132 37.129 1.00 0.00 C ATOM 169 CG MET A 10 -38.264 -4.131 35.780 1.00 0.00 C ATOM 170 SD MET A 10 -38.698 -5.806 35.264 1.00 0.00 S ATOM 171 CE MET A 10 -40.072 -6.127 36.383 1.00 0.00 C ATOM 0 H MET A 10 -36.847 -1.808 37.835 1.00 0.00 H new ATOM 0 HA MET A 10 -39.301 -3.257 37.975 1.00 0.00 H new ATOM 0 HB2 MET A 10 -36.521 -3.703 36.984 1.00 0.00 H new ATOM 0 HB3 MET A 10 -37.371 -5.162 37.456 1.00 0.00 H new ATOM 0 HG2 MET A 10 -39.169 -3.530 35.867 1.00 0.00 H new ATOM 0 HG3 MET A 10 -37.642 -3.663 35.016 1.00 0.00 H new ATOM 0 HE1 MET A 10 -40.464 -7.127 36.200 1.00 0.00 H new ATOM 0 HE2 MET A 10 -39.726 -6.056 37.414 1.00 0.00 H new ATOM 0 HE3 MET A 10 -40.859 -5.392 36.213 1.00 0.00 H new ATOM 181 N SER A 11 -39.361 -4.816 39.882 1.00 0.00 N ATOM 182 CA SER A 11 -39.394 -5.775 41.032 1.00 0.00 C ATOM 183 C SER A 11 -38.514 -7.043 40.774 1.00 0.00 C ATOM 184 O SER A 11 -38.972 -8.023 40.176 1.00 0.00 O ATOM 185 CB SER A 11 -40.822 -6.144 41.507 1.00 0.00 C ATOM 186 OG SER A 11 -41.450 -7.113 40.660 1.00 0.00 O ATOM 0 H SER A 11 -40.231 -4.753 39.353 1.00 0.00 H new ATOM 0 HA SER A 11 -38.946 -5.232 41.864 1.00 0.00 H new ATOM 0 HB2 SER A 11 -40.774 -6.533 42.524 1.00 0.00 H new ATOM 0 HB3 SER A 11 -41.435 -5.243 41.539 1.00 0.00 H new ATOM 0 HG SER A 11 -40.766 -7.690 40.261 1.00 0.00 H new ATOM 192 N ARG A 12 -37.264 -7.034 41.265 1.00 0.00 N ATOM 193 CA ARG A 12 -36.331 -8.204 41.160 1.00 0.00 C ATOM 194 C ARG A 12 -36.626 -9.438 42.110 1.00 0.00 C ATOM 195 O ARG A 12 -35.746 -9.981 42.789 1.00 0.00 O ATOM 196 CB ARG A 12 -34.887 -7.645 41.305 1.00 0.00 C ATOM 197 CG ARG A 12 -34.534 -7.074 42.706 1.00 0.00 C ATOM 198 CD ARG A 12 -33.039 -7.200 43.061 1.00 0.00 C ATOM 199 NE ARG A 12 -32.826 -7.145 44.538 1.00 0.00 N ATOM 200 CZ ARG A 12 -33.006 -8.163 45.382 1.00 0.00 C ATOM 201 NH1 ARG A 12 -33.529 -9.310 45.037 1.00 0.00 N ATOM 202 NH2 ARG A 12 -32.657 -8.002 46.618 1.00 0.00 N ATOM 0 H ARG A 12 -36.859 -6.230 41.745 1.00 0.00 H new ATOM 0 HA ARG A 12 -36.485 -8.666 40.185 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -34.181 -8.441 41.067 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -34.743 -6.859 40.564 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -34.821 -6.023 42.745 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -35.124 -7.594 43.461 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -32.648 -8.139 42.670 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -32.480 -6.397 42.581 1.00 0.00 H new ATOM 0 HE ARG A 12 -32.518 -6.257 44.934 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -33.826 -9.466 44.074 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -33.640 -10.049 45.731 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -32.257 -7.115 46.923 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -32.782 -8.762 47.287 1.00 0.00 H new ATOM 216 N SER A 13 -37.892 -9.856 42.127 1.00 0.00 N ATOM 217 CA SER A 13 -38.390 -11.067 42.826 1.00 0.00 C ATOM 218 C SER A 13 -39.558 -11.685 41.987 1.00 0.00 C ATOM 219 O SER A 13 -39.342 -12.718 41.352 1.00 0.00 O ATOM 220 CB SER A 13 -38.729 -10.721 44.299 1.00 0.00 C ATOM 221 OG SER A 13 -39.070 -11.895 45.035 1.00 0.00 O ATOM 0 H SER A 13 -38.634 -9.352 41.641 1.00 0.00 H new ATOM 0 HA SER A 13 -37.630 -11.845 42.895 1.00 0.00 H new ATOM 0 HB2 SER A 13 -37.876 -10.230 44.766 1.00 0.00 H new ATOM 0 HB3 SER A 13 -39.559 -10.015 44.329 1.00 0.00 H new ATOM 0 HG SER A 13 -39.278 -11.652 45.961 1.00 0.00 H new ATOM 227 N SER A 14 -40.766 -11.072 41.946 1.00 0.00 N ATOM 228 CA SER A 14 -41.889 -11.514 41.058 1.00 0.00 C ATOM 229 C SER A 14 -43.075 -10.501 41.116 1.00 0.00 C ATOM 230 O SER A 14 -43.783 -10.416 42.124 1.00 0.00 O ATOM 231 CB SER A 14 -42.419 -12.941 41.391 1.00 0.00 C ATOM 232 OG SER A 14 -41.546 -13.957 40.900 1.00 0.00 O ATOM 0 H SER A 14 -40.997 -10.261 42.521 1.00 0.00 H new ATOM 0 HA SER A 14 -41.471 -11.548 40.052 1.00 0.00 H new ATOM 0 HB2 SER A 14 -42.528 -13.046 42.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 -43.410 -13.072 40.956 1.00 0.00 H new ATOM 0 HG SER A 14 -40.615 -13.680 41.032 1.00 0.00 H new ATOM 238 N GLY A 15 -43.345 -9.773 40.018 1.00 0.00 N ATOM 239 CA GLY A 15 -44.626 -9.043 39.863 1.00 0.00 C ATOM 240 C GLY A 15 -44.635 -7.899 38.838 1.00 0.00 C ATOM 241 O GLY A 15 -45.203 -8.028 37.753 1.00 0.00 O ATOM 0 H GLY A 15 -42.705 -9.672 39.231 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -45.397 -9.760 39.583 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -44.908 -8.635 40.834 1.00 0.00 H new ATOM 245 N ARG A 16 -44.123 -6.745 39.263 1.00 0.00 N ATOM 246 CA ARG A 16 -44.344 -5.429 38.610 1.00 0.00 C ATOM 247 C ARG A 16 -43.033 -4.602 38.521 1.00 0.00 C ATOM 248 O ARG A 16 -42.217 -4.545 39.434 1.00 0.00 O ATOM 249 CB ARG A 16 -45.398 -4.619 39.449 1.00 0.00 C ATOM 250 CG ARG A 16 -46.872 -4.642 38.998 1.00 0.00 C ATOM 251 CD ARG A 16 -47.530 -6.021 39.052 1.00 0.00 C ATOM 252 NE ARG A 16 -48.982 -5.891 38.760 1.00 0.00 N ATOM 253 CZ ARG A 16 -49.778 -6.877 38.360 1.00 0.00 C ATOM 254 NH1 ARG A 16 -49.367 -8.095 38.140 1.00 0.00 N ATOM 255 NH2 ARG A 16 -51.032 -6.613 38.176 1.00 0.00 N ATOM 0 H ARG A 16 -43.527 -6.684 40.089 1.00 0.00 H new ATOM 0 HA ARG A 16 -44.701 -5.608 37.596 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -45.359 -4.987 40.474 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -45.075 -3.578 39.472 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -47.442 -3.957 39.626 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -46.932 -4.264 37.977 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -47.061 -6.688 38.328 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -47.385 -6.466 40.036 1.00 0.00 H new ATOM 0 HE ARG A 16 -49.402 -4.969 38.876 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -48.384 -8.334 38.274 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -50.028 -8.809 37.834 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -51.384 -5.669 38.338 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -51.668 -7.349 37.869 1.00 0.00 H new ATOM 269 N VAL A 17 -42.947 -3.763 37.492 1.00 0.00 N ATOM 270 CA VAL A 17 -42.288 -2.429 37.626 1.00 0.00 C ATOM 271 C VAL A 17 -43.033 -1.511 38.653 1.00 0.00 C ATOM 272 O VAL A 17 -44.251 -1.345 38.619 1.00 0.00 O ATOM 273 CB VAL A 17 -42.054 -1.764 36.232 1.00 0.00 C ATOM 274 CG1 VAL A 17 -43.255 -1.836 35.281 1.00 0.00 C ATOM 275 CG2 VAL A 17 -41.598 -0.280 36.312 1.00 0.00 C ATOM 0 H VAL A 17 -43.314 -3.962 36.561 1.00 0.00 H new ATOM 0 HA VAL A 17 -41.295 -2.583 38.048 1.00 0.00 H new ATOM 0 HB VAL A 17 -41.247 -2.372 35.823 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -43.003 -1.350 34.339 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -43.509 -2.879 35.094 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -44.108 -1.330 35.733 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -41.456 0.112 35.305 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -42.359 0.307 36.826 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -40.659 -0.217 36.861 1.00 0.00 H new ATOM 285 N TYR A 18 -42.250 -0.930 39.552 1.00 0.00 N ATOM 286 CA TYR A 18 -42.710 0.025 40.571 1.00 0.00 C ATOM 287 C TYR A 18 -41.906 1.363 40.384 1.00 0.00 C ATOM 288 O TYR A 18 -40.993 1.492 39.556 1.00 0.00 O ATOM 289 CB TYR A 18 -42.616 -0.730 41.937 1.00 0.00 C ATOM 290 CG TYR A 18 -41.220 -0.980 42.530 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.645 -0.004 43.344 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.516 -2.160 42.268 1.00 0.00 C ATOM 293 CE1 TYR A 18 -39.384 -0.200 43.893 1.00 0.00 C ATOM 294 CE2 TYR A 18 -39.243 -2.347 42.805 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.682 -1.371 43.625 1.00 0.00 C ATOM 296 OH TYR A 18 -37.435 -1.557 44.153 1.00 0.00 O ATOM 0 H TYR A 18 -41.247 -1.110 39.600 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.746 0.355 40.499 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -43.194 -0.167 42.670 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -43.106 -1.696 41.819 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -41.183 0.910 43.549 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -40.959 -2.927 41.649 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -38.948 0.557 44.528 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.692 -3.249 42.585 1.00 0.00 H new ATOM 0 HH TYR A 18 -37.086 -2.427 43.868 1.00 0.00 H new ATOM 306 N TYR A 19 -42.288 2.403 41.118 1.00 0.00 N ATOM 307 CA TYR A 19 -41.617 3.732 41.051 1.00 0.00 C ATOM 308 C TYR A 19 -41.273 4.198 42.487 1.00 0.00 C ATOM 309 O TYR A 19 -42.046 4.031 43.434 1.00 0.00 O ATOM 310 CB TYR A 19 -42.516 4.764 40.345 1.00 0.00 C ATOM 311 CG TYR A 19 -42.693 4.616 38.818 1.00 0.00 C ATOM 312 CD1 TYR A 19 -43.487 3.615 38.250 1.00 0.00 C ATOM 313 CD2 TYR A 19 -42.125 5.578 37.986 1.00 0.00 C ATOM 314 CE1 TYR A 19 -43.708 3.580 36.876 1.00 0.00 C ATOM 315 CE2 TYR A 19 -42.308 5.525 36.605 1.00 0.00 C ATOM 316 CZ TYR A 19 -43.101 4.524 36.053 1.00 0.00 C ATOM 317 OH TYR A 19 -43.328 4.498 34.705 1.00 0.00 O ATOM 0 H TYR A 19 -43.065 2.367 41.778 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.699 3.642 40.470 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.503 4.723 40.805 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.112 5.757 40.544 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.933 2.862 38.883 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.536 6.374 38.416 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -44.349 2.822 36.450 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.836 6.258 35.967 1.00 0.00 H new ATOM 0 HH TYR A 19 -42.831 5.225 34.275 1.00 0.00 H new ATOM 327 N PHE A 20 -40.077 4.764 42.645 1.00 0.00 N ATOM 328 CA PHE A 20 -39.393 4.805 43.957 1.00 0.00 C ATOM 329 C PHE A 20 -38.882 6.210 44.366 1.00 0.00 C ATOM 330 O PHE A 20 -38.238 6.870 43.560 1.00 0.00 O ATOM 331 CB PHE A 20 -38.298 3.696 43.917 1.00 0.00 C ATOM 332 CG PHE A 20 -37.466 3.521 45.198 1.00 0.00 C ATOM 333 CD1 PHE A 20 -38.020 2.965 46.338 1.00 0.00 C ATOM 334 CD2 PHE A 20 -36.166 3.994 45.235 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.279 2.877 47.512 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.413 3.907 46.399 1.00 0.00 C ATOM 337 CZ PHE A 20 -35.927 3.321 47.593 1.00 0.00 C ATOM 0 H PHE A 20 -39.554 5.203 41.887 1.00 0.00 H new ATOM 0 HA PHE A 20 -40.100 4.597 44.761 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.780 2.746 43.689 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.618 3.914 43.093 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -39.035 2.597 46.316 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.732 4.435 44.350 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -37.744 2.458 48.392 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.405 4.296 46.400 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.336 3.221 48.491 1.00 0.00 H new ATOM 347 N ASN A 21 -39.094 6.626 45.627 1.00 0.00 N ATOM 348 CA ASN A 21 -38.368 7.760 46.248 1.00 0.00 C ATOM 349 C ASN A 21 -37.117 7.267 47.059 1.00 0.00 C ATOM 350 O ASN A 21 -37.229 6.413 47.939 1.00 0.00 O ATOM 351 CB ASN A 21 -39.361 8.542 47.153 1.00 0.00 C ATOM 352 CG ASN A 21 -39.079 10.001 47.529 1.00 0.00 C ATOM 353 OD1 ASN A 21 -39.998 10.740 47.850 1.00 0.00 O ATOM 354 ND2 ASN A 21 -37.848 10.437 47.578 1.00 0.00 N ATOM 0 H ASN A 21 -39.773 6.188 46.249 1.00 0.00 H new ATOM 0 HA ASN A 21 -37.988 8.420 45.468 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -40.334 8.517 46.662 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -39.460 7.982 48.083 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -37.657 11.391 47.883 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -37.079 9.823 47.311 1.00 0.00 H new ATOM 361 N HIS A 22 -35.947 7.865 46.808 1.00 0.00 N ATOM 362 CA HIS A 22 -34.644 7.496 47.454 1.00 0.00 C ATOM 363 C HIS A 22 -34.518 7.816 48.986 1.00 0.00 C ATOM 364 O HIS A 22 -34.065 7.007 49.793 1.00 0.00 O ATOM 365 CB HIS A 22 -33.564 8.279 46.662 1.00 0.00 C ATOM 366 CG HIS A 22 -33.227 7.757 45.278 1.00 0.00 C ATOM 367 ND1 HIS A 22 -31.951 7.845 44.819 1.00 0.00 N ATOM 368 CD2 HIS A 22 -33.999 6.941 44.423 1.00 0.00 C ATOM 369 CE1 HIS A 22 -32.034 6.975 43.786 1.00 0.00 C ATOM 370 NE2 HIS A 22 -33.212 6.367 43.451 1.00 0.00 N ATOM 0 H HIS A 22 -35.858 8.633 46.143 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.539 6.412 47.415 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -33.895 9.313 46.565 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -32.649 8.291 47.254 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -31.164 8.401 45.154 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -35.064 6.788 44.519 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -31.147 6.755 43.211 1.00 0.00 H new ATOM 378 N ILE A 23 -34.857 9.063 49.312 1.00 0.00 N ATOM 379 CA ILE A 23 -34.516 9.765 50.586 1.00 0.00 C ATOM 380 C ILE A 23 -35.703 9.856 51.608 1.00 0.00 C ATOM 381 O ILE A 23 -35.474 9.824 52.817 1.00 0.00 O ATOM 382 CB ILE A 23 -33.859 11.159 50.229 1.00 0.00 C ATOM 383 CG1 ILE A 23 -34.503 11.926 49.023 1.00 0.00 C ATOM 384 CG2 ILE A 23 -32.333 10.991 50.002 1.00 0.00 C ATOM 385 CD1 ILE A 23 -34.075 13.377 48.816 1.00 0.00 C ATOM 0 H ILE A 23 -35.400 9.652 48.680 1.00 0.00 H new ATOM 0 HA ILE A 23 -33.788 9.165 51.132 1.00 0.00 H new ATOM 0 HB ILE A 23 -34.057 11.788 51.097 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -34.278 11.373 48.111 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -35.586 11.907 49.149 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -31.893 11.958 49.757 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -31.871 10.601 50.909 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -32.162 10.296 49.180 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -34.594 13.789 47.950 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -34.327 13.960 49.702 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -32.999 13.418 48.648 1.00 0.00 H new ATOM 397 N THR A 24 -36.967 9.891 51.150 1.00 0.00 N ATOM 398 CA THR A 24 -38.101 9.265 51.896 1.00 0.00 C ATOM 399 C THR A 24 -37.992 7.703 52.098 1.00 0.00 C ATOM 400 O THR A 24 -38.239 7.216 53.201 1.00 0.00 O ATOM 401 CB THR A 24 -39.401 9.691 51.161 1.00 0.00 C ATOM 402 OG1 THR A 24 -39.570 11.105 51.190 1.00 0.00 O ATOM 403 CG2 THR A 24 -40.707 9.103 51.688 1.00 0.00 C ATOM 0 H THR A 24 -37.240 10.339 50.275 1.00 0.00 H new ATOM 0 HA THR A 24 -38.090 9.626 52.924 1.00 0.00 H new ATOM 0 HB THR A 24 -39.237 9.293 50.159 1.00 0.00 H new ATOM 0 HG1 THR A 24 -40.395 11.346 50.719 1.00 0.00 H new ATOM 0 HG21 THR A 24 -41.540 9.476 51.093 1.00 0.00 H new ATOM 0 HG22 THR A 24 -40.670 8.016 51.620 1.00 0.00 H new ATOM 0 HG23 THR A 24 -40.845 9.397 52.729 1.00 0.00 H new ATOM 411 N ASN A 25 -37.683 6.939 51.027 1.00 0.00 N ATOM 412 CA ASN A 25 -37.730 5.443 50.989 1.00 0.00 C ATOM 413 C ASN A 25 -39.203 4.917 50.845 1.00 0.00 C ATOM 414 O ASN A 25 -39.782 4.362 51.783 1.00 0.00 O ATOM 415 CB ASN A 25 -36.844 4.773 52.081 1.00 0.00 C ATOM 416 CG ASN A 25 -36.553 3.290 51.856 1.00 0.00 C ATOM 417 OD1 ASN A 25 -35.616 2.903 51.171 1.00 0.00 O ATOM 418 ND2 ASN A 25 -37.348 2.409 52.402 1.00 0.00 N ATOM 0 H ASN A 25 -37.386 7.345 50.140 1.00 0.00 H new ATOM 0 HA ASN A 25 -37.243 5.105 50.074 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -35.897 5.309 52.138 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -37.335 4.889 53.047 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -37.184 1.413 52.255 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -38.133 2.717 52.976 1.00 0.00 H new ATOM 425 N ALA A 26 -39.806 5.112 49.656 1.00 0.00 N ATOM 426 CA ALA A 26 -41.230 4.795 49.400 1.00 0.00 C ATOM 427 C ALA A 26 -41.462 4.242 47.958 1.00 0.00 C ATOM 428 O ALA A 26 -41.280 4.950 46.961 1.00 0.00 O ATOM 429 CB ALA A 26 -42.067 6.060 49.681 1.00 0.00 C ATOM 0 H ALA A 26 -39.322 5.494 48.844 1.00 0.00 H new ATOM 0 HA ALA A 26 -41.548 3.995 50.069 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -43.120 5.847 49.498 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.933 6.362 50.720 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -41.740 6.866 49.024 1.00 0.00 H new ATOM 435 N SER A 27 -41.890 2.974 47.865 1.00 0.00 N ATOM 436 CA SER A 27 -42.296 2.332 46.590 1.00 0.00 C ATOM 437 C SER A 27 -43.820 2.451 46.280 1.00 0.00 C ATOM 438 O SER A 27 -44.685 2.016 47.046 1.00 0.00 O ATOM 439 CB SER A 27 -41.890 0.845 46.633 1.00 0.00 C ATOM 440 OG SER A 27 -42.459 0.147 47.746 1.00 0.00 O ATOM 0 H SER A 27 -41.967 2.356 48.672 1.00 0.00 H new ATOM 0 HA SER A 27 -41.783 2.863 45.788 1.00 0.00 H new ATOM 0 HB2 SER A 27 -42.203 0.361 45.708 1.00 0.00 H new ATOM 0 HB3 SER A 27 -40.804 0.771 46.680 1.00 0.00 H new ATOM 0 HG SER A 27 -43.366 0.478 47.911 1.00 0.00 H new ATOM 446 N GLN A 28 -44.105 2.987 45.098 1.00 0.00 N ATOM 447 CA GLN A 28 -45.476 3.040 44.504 1.00 0.00 C ATOM 448 C GLN A 28 -45.438 2.546 43.013 1.00 0.00 C ATOM 449 O GLN A 28 -44.621 1.703 42.641 1.00 0.00 O ATOM 450 CB GLN A 28 -46.116 4.438 44.818 1.00 0.00 C ATOM 451 CG GLN A 28 -45.333 5.689 44.367 1.00 0.00 C ATOM 452 CD GLN A 28 -45.987 6.990 44.825 1.00 0.00 C ATOM 453 OE1 GLN A 28 -46.413 7.794 43.895 1.00 0.00 O flip ATOM 454 NE2 GLN A 28 -46.072 7.330 46.001 1.00 0.00 N flip ATOM 0 H GLN A 28 -43.394 3.409 44.501 1.00 0.00 H new ATOM 0 HA GLN A 28 -46.170 2.336 44.962 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -47.101 4.470 44.353 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -46.269 4.505 45.895 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -44.318 5.639 44.761 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -45.253 5.690 43.280 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -45.741 6.707 46.737 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -46.474 8.236 46.242 1.00 0.00 H new ATOM 463 N TRP A 29 -46.353 2.996 42.154 1.00 0.00 N ATOM 464 CA TRP A 29 -46.433 2.625 40.711 1.00 0.00 C ATOM 465 C TRP A 29 -46.574 3.899 39.770 1.00 0.00 C ATOM 466 O TRP A 29 -47.027 3.794 38.630 1.00 0.00 O ATOM 467 CB TRP A 29 -47.546 1.513 40.719 1.00 0.00 C ATOM 468 CG TRP A 29 -48.373 1.266 39.461 1.00 0.00 C ATOM 469 CD1 TRP A 29 -49.465 2.070 39.091 1.00 0.00 C ATOM 470 CD2 TRP A 29 -48.229 0.335 38.455 1.00 0.00 C ATOM 471 NE1 TRP A 29 -50.007 1.673 37.850 1.00 0.00 N ATOM 472 CE2 TRP A 29 -49.211 0.607 37.470 1.00 0.00 C ATOM 473 CE3 TRP A 29 -47.285 -0.702 38.263 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -49.232 -0.133 36.268 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -47.318 -1.415 37.062 1.00 0.00 C ATOM 476 CH2 TRP A 29 -48.278 -1.135 36.080 1.00 0.00 C ATOM 0 H TRP A 29 -47.086 3.647 42.435 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.536 2.210 40.251 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -47.064 0.571 40.983 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -48.241 1.752 41.524 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -49.843 2.890 39.683 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -50.799 2.077 37.351 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -46.557 -0.936 39.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -49.972 0.072 35.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -46.592 -2.195 36.887 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -48.280 -1.704 35.162 1.00 0.00 H new ATOM 487 N GLU A 30 -46.126 5.098 40.199 1.00 0.00 N ATOM 488 CA GLU A 30 -46.447 6.382 39.556 1.00 0.00 C ATOM 489 C GLU A 30 -45.208 7.015 38.855 1.00 0.00 C ATOM 490 O GLU A 30 -44.247 7.478 39.478 1.00 0.00 O ATOM 491 CB GLU A 30 -46.999 7.309 40.667 1.00 0.00 C ATOM 492 CG GLU A 30 -47.646 8.634 40.182 1.00 0.00 C ATOM 493 CD GLU A 30 -47.604 9.788 41.160 1.00 0.00 C ATOM 494 OE1 GLU A 30 -46.526 10.107 41.700 1.00 0.00 O ATOM 495 OE2 GLU A 30 -48.641 10.456 41.331 1.00 0.00 O ATOM 0 H GLU A 30 -45.522 5.198 41.015 1.00 0.00 H new ATOM 0 HA GLU A 30 -47.184 6.234 38.766 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -47.740 6.754 41.242 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -46.184 7.553 41.349 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -47.148 8.944 39.263 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -48.687 8.436 39.929 1.00 0.00 H new ATOM 502 N ARG A 31 -45.324 7.171 37.534 1.00 0.00 N ATOM 503 CA ARG A 31 -44.682 8.289 36.797 1.00 0.00 C ATOM 504 C ARG A 31 -45.206 9.666 37.318 1.00 0.00 C ATOM 505 O ARG A 31 -46.377 9.976 37.057 1.00 0.00 O ATOM 506 CB ARG A 31 -44.987 7.981 35.308 1.00 0.00 C ATOM 507 CG ARG A 31 -44.461 9.002 34.271 1.00 0.00 C ATOM 508 CD ARG A 31 -45.528 9.413 33.232 1.00 0.00 C ATOM 509 NE ARG A 31 -46.367 10.540 33.714 1.00 0.00 N ATOM 510 CZ ARG A 31 -47.612 10.484 34.185 1.00 0.00 C ATOM 511 NH1 ARG A 31 -48.244 9.398 34.495 1.00 0.00 N ATOM 512 NH2 ARG A 31 -48.237 11.593 34.354 1.00 0.00 N ATOM 0 H ARG A 31 -45.858 6.538 36.939 1.00 0.00 H new ATOM 0 HA ARG A 31 -43.605 8.368 36.943 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -44.567 7.004 35.069 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -46.068 7.901 35.190 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -44.108 9.892 34.792 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -43.603 8.575 33.752 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -45.037 9.698 32.301 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -46.164 8.557 33.007 1.00 0.00 H new ATOM 0 HE ARG A 31 -45.940 11.466 33.680 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -47.787 8.493 34.384 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -49.199 9.447 34.850 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -47.779 12.476 34.129 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -49.192 11.591 34.713 1.00 0.00 H new ATOM 526 N PRO A 32 -44.443 10.483 38.102 1.00 0.00 N ATOM 527 CA PRO A 32 -45.059 11.559 38.929 1.00 0.00 C ATOM 528 C PRO A 32 -45.748 12.747 38.176 1.00 0.00 C ATOM 529 O PRO A 32 -46.597 13.435 38.748 1.00 0.00 O ATOM 530 CB PRO A 32 -43.844 12.011 39.747 1.00 0.00 C ATOM 531 CG PRO A 32 -42.623 11.749 38.861 1.00 0.00 C ATOM 532 CD PRO A 32 -42.963 10.427 38.198 1.00 0.00 C ATOM 0 HA PRO A 32 -45.916 11.188 39.491 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -43.919 13.067 40.007 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -43.774 11.456 40.683 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -42.478 12.543 38.128 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -41.706 11.683 39.446 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -42.497 10.334 37.217 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -42.627 9.577 38.793 1.00 0.00 H new ATOM 540 N SER A 33 -45.331 12.984 36.924 1.00 0.00 N ATOM 541 CA SER A 33 -45.890 14.044 36.034 1.00 0.00 C ATOM 542 C SER A 33 -45.256 13.967 34.608 1.00 0.00 C ATOM 543 O SER A 33 -45.891 13.449 33.685 1.00 0.00 O ATOM 544 CB SER A 33 -45.856 15.488 36.623 1.00 0.00 C ATOM 545 OG SER A 33 -44.558 15.833 37.109 1.00 0.00 O ATOM 0 H SER A 33 -44.586 12.444 36.483 1.00 0.00 H new ATOM 0 HA SER A 33 -46.954 13.823 35.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 -46.158 16.201 35.855 1.00 0.00 H new ATOM 0 HB3 SER A 33 -46.580 15.567 37.434 1.00 0.00 H new ATOM 0 HG SER A 33 -44.575 16.744 37.469 1.00 0.00 H new