USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 1 ALA N :NH3+ -112:sc= 0.148 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -55:sc= 0.0483 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 78:sc= 0.366 USER MOD Single : A 18 GLN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0476 K(o=-0.048,f=-3.2!) USER MOD Single : A 33 SER OG : rot 8:sc= 0.366 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 60 THR OG1 : rot -55:sc= 1.23 USER MOD Single : A 61 TYR OH : rot 30:sc=-0.00644 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= 0.0343 (180deg=-0.196!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.912 15.269 -7.287 1.00 25.00 N ATOM 2 CA ALA A 1 12.372 13.852 -7.182 1.00 25.00 C ATOM 3 C ALA A 1 11.404 13.063 -6.323 1.00 25.00 C ATOM 4 O ALA A 1 10.629 13.664 -5.602 1.00 25.00 O ATOM 5 CB ALA A 1 13.802 13.788 -6.582 1.00 25.00 C ATOM 0 H1 ALA A 1 11.611 15.465 -8.263 1.00 25.00 H new ATOM 0 H2 ALA A 1 11.112 15.423 -6.640 1.00 25.00 H new ATOM 0 H3 ALA A 1 12.692 15.907 -7.031 1.00 25.00 H new ATOM 0 HA ALA A 1 12.401 13.415 -8.180 1.00 25.00 H new ATOM 0 HB1 ALA A 1 14.121 12.748 -6.513 1.00 25.00 H new ATOM 0 HB2 ALA A 1 14.491 14.337 -7.224 1.00 25.00 H new ATOM 0 HB3 ALA A 1 13.800 14.234 -5.587 1.00 25.00 H new ATOM 13 N TYR A 2 11.435 11.740 -6.406 1.00 25.00 N ATOM 14 CA TYR A 2 10.509 10.896 -5.659 1.00 25.00 C ATOM 15 C TYR A 2 11.245 9.730 -5.011 1.00 25.00 C ATOM 16 O TYR A 2 12.232 9.233 -5.554 1.00 25.00 O ATOM 17 CB TYR A 2 9.442 10.358 -6.615 1.00 25.00 C ATOM 18 CG TYR A 2 8.437 9.452 -5.942 1.00 25.00 C ATOM 19 CD1 TYR A 2 7.404 9.986 -5.145 1.00 25.00 C ATOM 20 CD2 TYR A 2 8.524 8.049 -6.078 1.00 25.00 C ATOM 21 CE1 TYR A 2 6.473 9.132 -4.493 1.00 25.00 C ATOM 22 CE2 TYR A 2 7.591 7.193 -5.430 1.00 25.00 C ATOM 23 CZ TYR A 2 6.577 7.748 -4.640 1.00 25.00 C ATOM 24 OH TYR A 2 5.674 6.936 -4.006 1.00 25.00 O ATOM 0 H TYR A 2 12.096 11.224 -6.987 1.00 25.00 H new ATOM 0 HA TYR A 2 10.044 11.491 -4.873 1.00 25.00 H new ATOM 0 HB2 TYR A 2 8.916 11.197 -7.070 1.00 25.00 H new ATOM 0 HB3 TYR A 2 9.930 9.812 -7.422 1.00 25.00 H new ATOM 0 HD1 TYR A 2 7.319 11.056 -5.028 1.00 25.00 H new ATOM 0 HD2 TYR A 2 9.310 7.620 -6.682 1.00 25.00 H new ATOM 0 HE1 TYR A 2 5.686 9.554 -3.885 1.00 25.00 H new ATOM 0 HE2 TYR A 2 7.664 6.122 -5.547 1.00 25.00 H new ATOM 0 HH TYR A 2 5.879 5.999 -4.207 1.00 25.00 H new ATOM 34 N ARG A 3 10.740 9.288 -3.867 1.00 25.00 N ATOM 35 CA ARG A 3 11.218 8.098 -3.168 1.00 25.00 C ATOM 36 C ARG A 3 9.929 7.507 -2.623 1.00 25.00 C ATOM 37 O ARG A 3 8.994 8.260 -2.390 1.00 25.00 O ATOM 38 CB ARG A 3 12.142 8.467 -1.995 1.00 25.00 C ATOM 39 CG ARG A 3 13.517 8.980 -2.394 1.00 25.00 C ATOM 40 CD ARG A 3 14.352 9.249 -1.145 1.00 25.00 C ATOM 41 NE ARG A 3 15.722 9.684 -1.469 1.00 25.00 N ATOM 42 CZ ARG A 3 16.663 9.972 -0.575 1.00 25.00 C ATOM 43 NH1 ARG A 3 16.449 9.904 0.717 1.00 25.00 N ATOM 44 NH2 ARG A 3 17.846 10.336 -0.989 1.00 25.00 N ATOM 0 H ARG A 3 9.970 9.755 -3.387 1.00 25.00 H new ATOM 0 HA ARG A 3 11.793 7.432 -3.811 1.00 25.00 H new ATOM 0 HB2 ARG A 3 11.649 9.228 -1.390 1.00 25.00 H new ATOM 0 HB3 ARG A 3 12.269 7.589 -1.362 1.00 25.00 H new ATOM 0 HG2 ARG A 3 14.019 8.248 -3.027 1.00 25.00 H new ATOM 0 HG3 ARG A 3 13.418 9.894 -2.980 1.00 25.00 H new ATOM 0 HD2 ARG A 3 13.863 10.015 -0.542 1.00 25.00 H new ATOM 0 HD3 ARG A 3 14.395 8.345 -0.538 1.00 25.00 H new ATOM 0 HE ARG A 3 15.967 9.771 -2.455 1.00 25.00 H new ATOM 0 HH11 ARG A 3 15.534 9.622 1.068 1.00 25.00 H new ATOM 0 HH12 ARG A 3 17.198 10.133 1.371 1.00 25.00 H new ATOM 0 HH21 ARG A 3 18.040 10.397 -1.989 1.00 25.00 H new ATOM 0 HH22 ARG A 3 18.576 10.560 -0.313 1.00 25.00 H new ATOM 58 N PRO A 4 9.874 6.187 -2.363 1.00 25.00 N ATOM 59 CA PRO A 4 8.641 5.673 -1.745 1.00 25.00 C ATOM 60 C PRO A 4 8.467 6.170 -0.307 1.00 25.00 C ATOM 61 O PRO A 4 7.378 6.180 0.222 1.00 25.00 O ATOM 62 CB PRO A 4 8.841 4.157 -1.795 1.00 25.00 C ATOM 63 CG PRO A 4 10.315 3.978 -1.728 1.00 25.00 C ATOM 64 CD PRO A 4 10.863 5.109 -2.571 1.00 25.00 C ATOM 0 HA PRO A 4 7.739 6.007 -2.258 1.00 25.00 H new ATOM 0 HB2 PRO A 4 8.342 3.662 -0.962 1.00 25.00 H new ATOM 0 HB3 PRO A 4 8.430 3.732 -2.711 1.00 25.00 H new ATOM 0 HG2 PRO A 4 10.677 4.034 -0.701 1.00 25.00 H new ATOM 0 HG3 PRO A 4 10.617 3.007 -2.120 1.00 25.00 H new ATOM 0 HD2 PRO A 4 11.860 5.408 -2.247 1.00 25.00 H new ATOM 0 HD3 PRO A 4 10.940 4.829 -3.622 1.00 25.00 H new ATOM 72 N SER A 5 9.569 6.623 0.284 1.00 25.00 N ATOM 73 CA SER A 5 9.574 7.276 1.598 1.00 25.00 C ATOM 74 C SER A 5 8.976 6.446 2.738 1.00 25.00 C ATOM 75 O SER A 5 8.360 6.985 3.643 1.00 25.00 O ATOM 76 CB SER A 5 8.862 8.631 1.512 1.00 25.00 C ATOM 77 OG SER A 5 9.336 9.503 2.522 1.00 25.00 O ATOM 0 H SER A 5 10.495 6.548 -0.137 1.00 25.00 H new ATOM 0 HA SER A 5 10.626 7.402 1.852 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.030 9.075 0.531 1.00 25.00 H new ATOM 0 HB3 SER A 5 7.786 8.491 1.619 1.00 25.00 H new ATOM 0 HG SER A 5 9.235 9.075 3.398 1.00 25.00 H new ATOM 83 N GLU A 6 9.264 5.150 2.749 1.00 25.00 N ATOM 84 CA GLU A 6 8.870 4.274 3.863 1.00 25.00 C ATOM 85 C GLU A 6 9.874 4.417 5.012 1.00 25.00 C ATOM 86 O GLU A 6 10.093 3.489 5.783 1.00 25.00 O ATOM 87 CB GLU A 6 8.865 2.807 3.419 1.00 25.00 C ATOM 88 CG GLU A 6 8.063 2.516 2.165 1.00 25.00 C ATOM 89 CD GLU A 6 6.605 2.866 2.298 1.00 25.00 C ATOM 90 OE1 GLU A 6 5.972 3.329 1.398 1.00 25.00 O ATOM 91 OE2 GLU A 6 6.086 2.571 3.452 1.00 25.00 O ATOM 0 H GLU A 6 9.770 4.675 2.001 1.00 25.00 H new ATOM 0 HA GLU A 6 7.871 4.565 4.186 1.00 25.00 H new ATOM 0 HB2 GLU A 6 9.895 2.490 3.254 1.00 25.00 H new ATOM 0 HB3 GLU A 6 8.471 2.199 4.233 1.00 25.00 H new ATOM 0 HG2 GLU A 6 8.489 3.074 1.331 1.00 25.00 H new ATOM 0 HG3 GLU A 6 8.155 1.458 1.920 1.00 25.00 H new ATOM 98 N THR A 7 10.563 5.543 5.035 1.00 25.00 N ATOM 99 CA THR A 7 11.641 5.795 5.981 1.00 25.00 C ATOM 100 C THR A 7 11.521 7.180 6.573 1.00 25.00 C ATOM 101 O THR A 7 11.171 8.131 5.874 1.00 25.00 O ATOM 102 CB THR A 7 13.012 5.736 5.285 1.00 25.00 C ATOM 103 OG1 THR A 7 12.969 6.541 4.099 1.00 25.00 O ATOM 104 CG2 THR A 7 13.368 4.325 4.901 1.00 25.00 C ATOM 0 H THR A 7 10.391 6.317 4.393 1.00 25.00 H new ATOM 0 HA THR A 7 11.564 5.029 6.752 1.00 25.00 H new ATOM 0 HB THR A 7 13.766 6.108 5.979 1.00 25.00 H new ATOM 0 HG1 THR A 7 13.840 6.510 3.651 1.00 25.00 H new ATOM 0 HG21 THR A 7 14.342 4.316 4.411 1.00 25.00 H new ATOM 0 HG22 THR A 7 13.406 3.703 5.795 1.00 25.00 H new ATOM 0 HG23 THR A 7 12.615 3.933 4.218 1.00 25.00 H new ATOM 112 N LEU A 8 11.867 7.293 7.846 1.00 25.00 N ATOM 113 CA LEU A 8 11.855 8.565 8.564 1.00 25.00 C ATOM 114 C LEU A 8 13.096 8.663 9.385 1.00 25.00 C ATOM 115 O LEU A 8 13.616 7.660 9.848 1.00 25.00 O ATOM 116 CB LEU A 8 10.707 8.636 9.552 1.00 25.00 C ATOM 117 CG LEU A 8 9.313 8.510 8.986 1.00 25.00 C ATOM 118 CD1 LEU A 8 8.310 8.358 10.054 1.00 25.00 C ATOM 119 CD2 LEU A 8 8.973 9.732 8.125 1.00 25.00 C ATOM 0 H LEU A 8 12.166 6.502 8.416 1.00 25.00 H new ATOM 0 HA LEU A 8 11.768 9.358 7.821 1.00 25.00 H new ATOM 0 HB2 LEU A 8 10.846 7.847 10.291 1.00 25.00 H new ATOM 0 HB3 LEU A 8 10.774 9.586 10.083 1.00 25.00 H new ATOM 0 HG LEU A 8 9.289 7.614 8.366 1.00 25.00 H new ATOM 0 HD11 LEU A 8 7.318 8.270 9.611 1.00 25.00 H new ATOM 0 HD12 LEU A 8 8.529 7.462 10.634 1.00 25.00 H new ATOM 0 HD13 LEU A 8 8.340 9.230 10.708 1.00 25.00 H new ATOM 0 HD21 LEU A 8 7.965 9.626 7.724 1.00 25.00 H new ATOM 0 HD22 LEU A 8 9.028 10.634 8.735 1.00 25.00 H new ATOM 0 HD23 LEU A 8 9.684 9.807 7.302 1.00 25.00 H new ATOM 131 N CYS A 9 13.515 9.879 9.655 1.00 25.00 N ATOM 132 CA CYS A 9 14.660 10.088 10.531 1.00 25.00 C ATOM 133 C CYS A 9 14.616 11.454 11.197 1.00 25.00 C ATOM 134 O CYS A 9 13.989 12.386 10.692 1.00 25.00 O ATOM 135 CB CYS A 9 15.957 9.926 9.734 1.00 25.00 C ATOM 136 SG CYS A 9 17.235 8.979 10.630 1.00 25.00 S ATOM 0 H CYS A 9 13.091 10.732 9.289 1.00 25.00 H new ATOM 0 HA CYS A 9 14.623 9.338 11.321 1.00 25.00 H new ATOM 0 HB2 CYS A 9 15.737 9.426 8.791 1.00 25.00 H new ATOM 0 HB3 CYS A 9 16.350 10.912 9.487 1.00 25.00 H new ATOM 141 N GLY A 10 15.275 11.571 12.339 1.00 25.00 N ATOM 142 CA GLY A 10 15.296 12.834 13.056 1.00 25.00 C ATOM 143 C GLY A 10 13.901 13.264 13.459 1.00 25.00 C ATOM 144 O GLY A 10 13.083 12.450 13.888 1.00 25.00 O ATOM 0 H GLY A 10 15.796 10.816 12.784 1.00 25.00 H new ATOM 0 HA2 GLY A 10 15.920 12.739 13.945 1.00 25.00 H new ATOM 0 HA3 GLY A 10 15.748 13.602 12.429 1.00 25.00 H new ATOM 148 N GLY A 11 13.614 14.546 13.274 1.00 25.00 N ATOM 149 CA GLY A 11 12.308 15.084 13.618 1.00 25.00 C ATOM 150 C GLY A 11 11.158 14.509 12.813 1.00 25.00 C ATOM 151 O GLY A 11 10.037 14.532 13.274 1.00 25.00 O ATOM 0 H GLY A 11 14.266 15.229 12.889 1.00 25.00 H new ATOM 0 HA2 GLY A 11 12.121 14.901 14.676 1.00 25.00 H new ATOM 0 HA3 GLY A 11 12.327 16.165 13.480 1.00 25.00 H new ATOM 155 N GLU A 12 11.423 13.954 11.636 1.00 25.00 N ATOM 156 CA GLU A 12 10.355 13.368 10.816 1.00 25.00 C ATOM 157 C GLU A 12 9.763 12.158 11.525 1.00 25.00 C ATOM 158 O GLU A 12 8.568 11.889 11.455 1.00 25.00 O ATOM 159 CB GLU A 12 10.909 12.887 9.474 1.00 25.00 C ATOM 160 CG GLU A 12 11.563 13.957 8.624 1.00 25.00 C ATOM 161 CD GLU A 12 12.263 13.379 7.428 1.00 25.00 C ATOM 162 OE1 GLU A 12 12.900 12.355 7.461 1.00 25.00 O ATOM 163 OE2 GLU A 12 12.134 14.096 6.356 1.00 25.00 O ATOM 0 H GLU A 12 12.355 13.895 11.227 1.00 25.00 H new ATOM 0 HA GLU A 12 9.598 14.136 10.657 1.00 25.00 H new ATOM 0 HB2 GLU A 12 11.638 12.099 9.662 1.00 25.00 H new ATOM 0 HB3 GLU A 12 10.096 12.439 8.903 1.00 25.00 H new ATOM 0 HG2 GLU A 12 10.807 14.668 8.292 1.00 25.00 H new ATOM 0 HG3 GLU A 12 12.279 14.513 9.229 1.00 25.00 H new ATOM 170 N LEU A 13 10.630 11.410 12.194 1.00 25.00 N ATOM 171 CA LEU A 13 10.208 10.199 12.873 1.00 25.00 C ATOM 172 C LEU A 13 9.414 10.582 14.111 1.00 25.00 C ATOM 173 O LEU A 13 8.383 9.998 14.400 1.00 25.00 O ATOM 174 CB LEU A 13 11.433 9.345 13.222 1.00 25.00 C ATOM 175 CG LEU A 13 11.184 7.932 13.782 1.00 25.00 C ATOM 176 CD1 LEU A 13 10.103 7.154 13.020 1.00 25.00 C ATOM 177 CD2 LEU A 13 12.500 7.163 13.736 1.00 25.00 C ATOM 0 H LEU A 13 11.624 11.621 12.279 1.00 25.00 H new ATOM 0 HA LEU A 13 9.568 9.601 12.225 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.041 9.247 12.323 1.00 25.00 H new ATOM 0 HB3 LEU A 13 12.028 9.895 13.951 1.00 25.00 H new ATOM 0 HG LEU A 13 10.817 8.040 14.803 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.980 6.168 13.468 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.159 7.697 13.072 1.00 25.00 H new ATOM 0 HD13 LEU A 13 10.401 7.044 11.977 1.00 25.00 H new ATOM 0 HD21 LEU A 13 12.348 6.158 14.128 1.00 25.00 H new ATOM 0 HD22 LEU A 13 12.849 7.101 12.705 1.00 25.00 H new ATOM 0 HD23 LEU A 13 13.245 7.680 14.341 1.00 25.00 H new ATOM 189 N VAL A 14 9.880 11.614 14.798 1.00 25.00 N ATOM 190 CA VAL A 14 9.199 12.136 15.985 1.00 25.00 C ATOM 191 C VAL A 14 7.818 12.663 15.615 1.00 25.00 C ATOM 192 O VAL A 14 6.847 12.390 16.304 1.00 25.00 O ATOM 193 CB VAL A 14 10.040 13.277 16.630 1.00 25.00 C ATOM 194 CG1 VAL A 14 9.284 13.962 17.779 1.00 25.00 C ATOM 195 CG2 VAL A 14 11.369 12.711 17.139 1.00 25.00 C ATOM 0 H VAL A 14 10.735 12.114 14.555 1.00 25.00 H new ATOM 0 HA VAL A 14 9.088 11.324 16.704 1.00 25.00 H new ATOM 0 HB VAL A 14 10.229 14.031 15.865 1.00 25.00 H new ATOM 0 HG11 VAL A 14 9.904 14.752 18.203 1.00 25.00 H new ATOM 0 HG12 VAL A 14 8.357 14.392 17.399 1.00 25.00 H new ATOM 0 HG13 VAL A 14 9.053 13.228 18.551 1.00 25.00 H new ATOM 0 HG21 VAL A 14 11.956 13.511 17.590 1.00 25.00 H new ATOM 0 HG22 VAL A 14 11.174 11.939 17.884 1.00 25.00 H new ATOM 0 HG23 VAL A 14 11.924 12.279 16.306 1.00 25.00 H new ATOM 205 N ASP A 15 7.733 13.389 14.513 1.00 25.00 N ATOM 206 CA ASP A 15 6.466 13.949 14.050 1.00 25.00 C ATOM 207 C ASP A 15 5.448 12.844 13.804 1.00 25.00 C ATOM 208 O ASP A 15 4.321 12.898 14.284 1.00 25.00 O ATOM 209 CB ASP A 15 6.696 14.729 12.756 1.00 25.00 C ATOM 210 CG ASP A 15 5.470 15.490 12.318 1.00 25.00 C ATOM 211 OD1 ASP A 15 5.087 15.368 11.138 1.00 25.00 O ATOM 212 OD2 ASP A 15 4.918 16.247 13.142 1.00 25.00 O ATOM 0 H ASP A 15 8.530 13.608 13.916 1.00 25.00 H new ATOM 0 HA ASP A 15 6.077 14.616 14.820 1.00 25.00 H new ATOM 0 HB2 ASP A 15 7.522 15.426 12.897 1.00 25.00 H new ATOM 0 HB3 ASP A 15 6.993 14.039 11.967 1.00 25.00 H new ATOM 217 N THR A 16 5.870 11.800 13.111 1.00 25.00 N ATOM 218 CA THR A 16 4.979 10.678 12.830 1.00 25.00 C ATOM 219 C THR A 16 4.607 9.916 14.104 1.00 25.00 C ATOM 220 O THR A 16 3.470 9.484 14.267 1.00 25.00 O ATOM 221 CB THR A 16 5.627 9.728 11.830 1.00 25.00 C ATOM 222 OG1 THR A 16 5.996 10.464 10.660 1.00 25.00 O ATOM 223 CG2 THR A 16 4.679 8.630 11.412 1.00 25.00 C ATOM 0 H THR A 16 6.813 11.702 12.734 1.00 25.00 H new ATOM 0 HA THR A 16 4.063 11.086 12.404 1.00 25.00 H new ATOM 0 HB THR A 16 6.497 9.279 12.310 1.00 25.00 H new ATOM 0 HG1 THR A 16 6.824 10.959 10.833 1.00 25.00 H new ATOM 0 HG21 THR A 16 5.176 7.972 10.699 1.00 25.00 H new ATOM 0 HG22 THR A 16 4.379 8.055 12.288 1.00 25.00 H new ATOM 0 HG23 THR A 16 3.796 9.069 10.947 1.00 25.00 H new ATOM 231 N LEU A 17 5.540 9.779 15.032 1.00 25.00 N ATOM 232 CA LEU A 17 5.245 9.124 16.309 1.00 25.00 C ATOM 233 C LEU A 17 4.201 9.915 17.096 1.00 25.00 C ATOM 234 O LEU A 17 3.304 9.330 17.690 1.00 25.00 O ATOM 235 CB LEU A 17 6.527 8.943 17.122 1.00 25.00 C ATOM 236 CG LEU A 17 7.346 7.712 16.701 1.00 25.00 C ATOM 237 CD1 LEU A 17 8.812 7.910 16.987 1.00 25.00 C ATOM 238 CD2 LEU A 17 6.850 6.447 17.415 1.00 25.00 C ATOM 0 H LEU A 17 6.501 10.107 14.933 1.00 25.00 H new ATOM 0 HA LEU A 17 4.829 8.137 16.105 1.00 25.00 H new ATOM 0 HB2 LEU A 17 7.145 9.835 17.017 1.00 25.00 H new ATOM 0 HB3 LEU A 17 6.270 8.856 18.178 1.00 25.00 H new ATOM 0 HG LEU A 17 7.211 7.587 15.627 1.00 25.00 H new ATOM 0 HD11 LEU A 17 9.366 7.023 16.679 1.00 25.00 H new ATOM 0 HD12 LEU A 17 9.177 8.776 16.434 1.00 25.00 H new ATOM 0 HD13 LEU A 17 8.955 8.074 18.055 1.00 25.00 H new ATOM 0 HD21 LEU A 17 7.448 5.592 17.098 1.00 25.00 H new ATOM 0 HD22 LEU A 17 6.945 6.577 18.493 1.00 25.00 H new ATOM 0 HD23 LEU A 17 5.804 6.273 17.162 1.00 25.00 H new ATOM 250 N GLN A 18 4.260 11.238 17.036 1.00 25.00 N ATOM 251 CA GLN A 18 3.232 12.066 17.671 1.00 25.00 C ATOM 252 C GLN A 18 1.903 11.897 16.938 1.00 25.00 C ATOM 253 O GLN A 18 0.850 11.925 17.549 1.00 25.00 O ATOM 254 CB GLN A 18 3.625 13.547 17.648 1.00 25.00 C ATOM 255 CG GLN A 18 4.813 13.888 18.536 1.00 25.00 C ATOM 256 CD GLN A 18 5.175 15.358 18.488 1.00 25.00 C ATOM 257 OE1 GLN A 18 5.306 16.003 19.515 1.00 25.00 O ATOM 258 NE2 GLN A 18 5.351 15.887 17.304 1.00 25.00 N ATOM 0 H GLN A 18 4.997 11.760 16.562 1.00 25.00 H new ATOM 0 HA GLN A 18 3.134 11.742 18.707 1.00 25.00 H new ATOM 0 HB2 GLN A 18 3.857 13.834 16.623 1.00 25.00 H new ATOM 0 HB3 GLN A 18 2.768 14.144 17.960 1.00 25.00 H new ATOM 0 HG2 GLN A 18 4.585 13.607 19.564 1.00 25.00 H new ATOM 0 HG3 GLN A 18 5.674 13.296 18.227 1.00 25.00 H new ATOM 0 HE21 GLN A 18 5.233 15.316 16.467 1.00 25.00 H new ATOM 0 HE22 GLN A 18 5.607 16.871 17.218 1.00 25.00 H new ATOM 267 N PHE A 19 1.948 11.710 15.630 1.00 25.00 N ATOM 268 CA PHE A 19 0.724 11.543 14.850 1.00 25.00 C ATOM 269 C PHE A 19 -0.008 10.230 15.169 1.00 25.00 C ATOM 270 O PHE A 19 -1.218 10.229 15.362 1.00 25.00 O ATOM 271 CB PHE A 19 1.045 11.613 13.354 1.00 25.00 C ATOM 272 CG PHE A 19 -0.175 11.686 12.480 1.00 25.00 C ATOM 273 CD1 PHE A 19 -0.738 10.516 11.935 1.00 25.00 C ATOM 274 CD2 PHE A 19 -0.771 12.929 12.194 1.00 25.00 C ATOM 275 CE1 PHE A 19 -1.896 10.581 11.119 1.00 25.00 C ATOM 276 CE2 PHE A 19 -1.929 13.008 11.380 1.00 25.00 C ATOM 277 CZ PHE A 19 -2.493 11.831 10.845 1.00 25.00 C ATOM 0 H PHE A 19 2.809 11.669 15.085 1.00 25.00 H new ATOM 0 HA PHE A 19 0.054 12.357 15.126 1.00 25.00 H new ATOM 0 HB2 PHE A 19 1.670 12.486 13.165 1.00 25.00 H new ATOM 0 HB3 PHE A 19 1.630 10.736 13.075 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -0.283 9.558 12.141 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -0.341 13.833 12.599 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -2.320 9.677 10.708 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -2.378 13.967 11.170 1.00 25.00 H new ATOM 0 HZ PHE A 19 -3.378 11.886 10.228 1.00 25.00 H new ATOM 287 N VAL A 20 0.709 9.111 15.211 1.00 25.00 N ATOM 288 CA VAL A 20 0.053 7.808 15.431 1.00 25.00 C ATOM 289 C VAL A 20 -0.333 7.570 16.898 1.00 25.00 C ATOM 290 O VAL A 20 -1.216 6.766 17.185 1.00 25.00 O ATOM 291 CB VAL A 20 0.925 6.609 14.957 1.00 25.00 C ATOM 292 CG1 VAL A 20 1.357 6.799 13.519 1.00 25.00 C ATOM 293 CG2 VAL A 20 2.125 6.418 15.832 1.00 25.00 C ATOM 0 H VAL A 20 1.722 9.069 15.099 1.00 25.00 H new ATOM 0 HA VAL A 20 -0.853 7.859 14.828 1.00 25.00 H new ATOM 0 HB VAL A 20 0.310 5.712 15.029 1.00 25.00 H new ATOM 0 HG11 VAL A 20 1.966 5.950 13.207 1.00 25.00 H new ATOM 0 HG12 VAL A 20 0.476 6.868 12.881 1.00 25.00 H new ATOM 0 HG13 VAL A 20 1.941 7.715 13.433 1.00 25.00 H new ATOM 0 HG21 VAL A 20 2.709 5.572 15.469 1.00 25.00 H new ATOM 0 HG22 VAL A 20 2.739 7.319 15.810 1.00 25.00 H new ATOM 0 HG23 VAL A 20 1.802 6.224 16.855 1.00 25.00 H new ATOM 303 N CYS A 21 0.365 8.231 17.818 1.00 25.00 N ATOM 304 CA CYS A 21 0.145 8.025 19.263 1.00 25.00 C ATOM 305 C CYS A 21 -0.622 9.162 19.927 1.00 25.00 C ATOM 306 O CYS A 21 -1.031 9.060 21.088 1.00 25.00 O ATOM 307 CB CYS A 21 1.487 7.899 19.994 1.00 25.00 C ATOM 308 SG CYS A 21 2.591 6.596 19.359 1.00 25.00 S ATOM 0 H CYS A 21 1.089 8.915 17.598 1.00 25.00 H new ATOM 0 HA CYS A 21 -0.446 7.113 19.338 1.00 25.00 H new ATOM 0 HB2 CYS A 21 2.007 8.855 19.935 1.00 25.00 H new ATOM 0 HB3 CYS A 21 1.292 7.707 21.049 1.00 25.00 H new ATOM 313 N GLY A 22 -0.749 10.273 19.223 1.00 25.00 N ATOM 314 CA GLY A 22 -1.318 11.466 19.815 1.00 25.00 C ATOM 315 C GLY A 22 -0.308 12.110 20.748 1.00 25.00 C ATOM 316 O GLY A 22 0.866 11.733 20.802 1.00 25.00 O ATOM 0 H GLY A 22 -0.467 10.372 18.248 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -1.605 12.170 19.033 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -2.225 11.213 20.365 1.00 25.00 H new ATOM 320 N ASP A 23 -0.782 13.055 21.542 1.00 25.00 N ATOM 321 CA ASP A 23 0.049 13.760 22.526 1.00 25.00 C ATOM 322 C ASP A 23 0.343 12.886 23.751 1.00 25.00 C ATOM 323 O ASP A 23 0.988 13.317 24.702 1.00 25.00 O ATOM 324 CB ASP A 23 -0.641 15.058 22.969 1.00 25.00 C ATOM 325 CG ASP A 23 -1.871 14.810 23.838 1.00 25.00 C ATOM 326 OD1 ASP A 23 -2.536 13.755 23.689 1.00 25.00 O ATOM 327 OD2 ASP A 23 -2.176 15.667 24.686 1.00 25.00 O ATOM 0 H ASP A 23 -1.755 13.362 21.529 1.00 25.00 H new ATOM 0 HA ASP A 23 0.998 13.996 22.045 1.00 25.00 H new ATOM 0 HB2 ASP A 23 0.071 15.671 23.522 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -0.934 15.627 22.087 1.00 25.00 H new ATOM 332 N ARG A 24 -0.168 11.662 23.736 1.00 25.00 N ATOM 333 CA ARG A 24 -0.024 10.731 24.858 1.00 25.00 C ATOM 334 C ARG A 24 1.398 10.190 24.991 1.00 25.00 C ATOM 335 O ARG A 24 1.760 9.636 26.027 1.00 25.00 O ATOM 336 CB ARG A 24 -1.004 9.567 24.687 1.00 25.00 C ATOM 337 CG ARG A 24 -2.489 9.980 24.621 1.00 25.00 C ATOM 338 CD ARG A 24 -2.985 10.595 25.937 1.00 25.00 C ATOM 339 NE ARG A 24 -2.952 12.070 25.928 1.00 25.00 N ATOM 340 CZ ARG A 24 -3.198 12.849 26.974 1.00 25.00 C ATOM 341 NH1 ARG A 24 -3.504 12.362 28.151 1.00 25.00 N ATOM 342 NH2 ARG A 24 -3.140 14.140 26.840 1.00 25.00 N ATOM 0 H ARG A 24 -0.694 11.283 22.949 1.00 25.00 H new ATOM 0 HA ARG A 24 -0.247 11.284 25.771 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -0.750 9.027 23.775 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -0.870 8.872 25.516 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -2.628 10.698 23.813 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -3.096 9.107 24.380 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -4.005 10.260 26.127 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -2.370 10.228 26.759 1.00 25.00 H new ATOM 0 HE ARG A 24 -2.721 12.528 25.046 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -3.560 11.353 28.287 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -3.687 12.992 28.932 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -2.907 14.549 25.935 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -3.328 14.745 27.640 1.00 25.00 H new ATOM 356 N GLY A 25 2.209 10.391 23.965 1.00 25.00 N ATOM 357 CA GLY A 25 3.615 10.023 24.032 1.00 25.00 C ATOM 358 C GLY A 25 3.954 8.643 23.503 1.00 25.00 C ATOM 359 O GLY A 25 3.080 7.845 23.147 1.00 25.00 O ATOM 0 H GLY A 25 1.920 10.805 23.079 1.00 25.00 H new ATOM 0 HA2 GLY A 25 4.192 10.759 23.473 1.00 25.00 H new ATOM 0 HA3 GLY A 25 3.940 10.085 25.071 1.00 25.00 H new ATOM 363 N PHE A 26 5.250 8.379 23.414 1.00 25.00 N ATOM 364 CA PHE A 26 5.768 7.156 22.813 1.00 25.00 C ATOM 365 C PHE A 26 7.168 6.857 23.342 1.00 25.00 C ATOM 366 O PHE A 26 7.797 7.697 23.987 1.00 25.00 O ATOM 367 CB PHE A 26 5.832 7.339 21.293 1.00 25.00 C ATOM 368 CG PHE A 26 6.568 8.580 20.874 1.00 25.00 C ATOM 369 CD1 PHE A 26 5.866 9.781 20.653 1.00 25.00 C ATOM 370 CD2 PHE A 26 7.965 8.566 20.710 1.00 25.00 C ATOM 371 CE1 PHE A 26 6.551 10.959 20.283 1.00 25.00 C ATOM 372 CE2 PHE A 26 8.662 9.741 20.340 1.00 25.00 C ATOM 373 CZ PHE A 26 7.952 10.937 20.133 1.00 25.00 C ATOM 0 H PHE A 26 5.975 9.009 23.758 1.00 25.00 H new ATOM 0 HA PHE A 26 5.110 6.325 23.067 1.00 25.00 H new ATOM 0 HB2 PHE A 26 6.318 6.470 20.850 1.00 25.00 H new ATOM 0 HB3 PHE A 26 4.818 7.375 20.895 1.00 25.00 H new ATOM 0 HD1 PHE A 26 4.792 9.801 20.768 1.00 25.00 H new ATOM 0 HD2 PHE A 26 8.512 7.648 20.868 1.00 25.00 H new ATOM 0 HE1 PHE A 26 6.003 11.874 20.115 1.00 25.00 H new ATOM 0 HE2 PHE A 26 9.735 9.719 20.217 1.00 25.00 H new ATOM 0 HZ PHE A 26 8.480 11.838 19.859 1.00 25.00 H new ATOM 383 N TYR A 27 7.661 5.673 23.023 1.00 25.00 N ATOM 384 CA TYR A 27 9.017 5.256 23.350 1.00 25.00 C ATOM 385 C TYR A 27 9.836 5.317 22.065 1.00 25.00 C ATOM 386 O TYR A 27 9.275 5.256 20.985 1.00 25.00 O ATOM 387 CB TYR A 27 9.014 3.809 23.840 1.00 25.00 C ATOM 388 CG TYR A 27 8.265 3.568 25.133 1.00 25.00 C ATOM 389 CD1 TYR A 27 8.915 3.708 26.378 1.00 25.00 C ATOM 390 CD2 TYR A 27 6.908 3.167 25.127 1.00 25.00 C ATOM 391 CE1 TYR A 27 8.225 3.450 27.593 1.00 25.00 C ATOM 392 CE2 TYR A 27 6.226 2.899 26.342 1.00 25.00 C ATOM 393 CZ TYR A 27 6.888 3.045 27.560 1.00 25.00 C ATOM 394 OH TYR A 27 6.228 2.789 28.733 1.00 25.00 O ATOM 0 H TYR A 27 7.125 4.964 22.523 1.00 25.00 H new ATOM 0 HA TYR A 27 9.429 5.901 24.126 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.578 3.180 23.064 1.00 25.00 H new ATOM 0 HB3 TYR A 27 10.046 3.484 23.971 1.00 25.00 H new ATOM 0 HD1 TYR A 27 9.950 4.015 26.408 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.386 3.064 24.187 1.00 25.00 H new ATOM 0 HE1 TYR A 27 8.732 3.567 28.539 1.00 25.00 H new ATOM 0 HE2 TYR A 27 5.194 2.582 26.323 1.00 25.00 H new ATOM 0 HH TYR A 27 5.306 2.519 28.538 1.00 25.00 H new ATOM 404 N PHE A 28 11.160 5.350 22.166 1.00 25.00 N ATOM 405 CA PHE A 28 11.997 5.277 20.966 1.00 25.00 C ATOM 406 C PHE A 28 12.640 3.904 20.903 1.00 25.00 C ATOM 407 O PHE A 28 12.868 3.363 19.845 1.00 25.00 O ATOM 408 CB PHE A 28 13.072 6.368 20.976 1.00 25.00 C ATOM 409 CG PHE A 28 13.099 7.197 19.718 1.00 25.00 C ATOM 410 CD1 PHE A 28 12.006 8.020 19.385 1.00 25.00 C ATOM 411 CD2 PHE A 28 14.213 7.161 18.856 1.00 25.00 C ATOM 412 CE1 PHE A 28 12.020 8.806 18.203 1.00 25.00 C ATOM 413 CE2 PHE A 28 14.239 7.948 17.674 1.00 25.00 C ATOM 414 CZ PHE A 28 13.138 8.766 17.347 1.00 25.00 C ATOM 0 H PHE A 28 11.672 5.425 23.045 1.00 25.00 H new ATOM 0 HA PHE A 28 11.375 5.437 20.086 1.00 25.00 H new ATOM 0 HB2 PHE A 28 12.905 7.024 21.830 1.00 25.00 H new ATOM 0 HB3 PHE A 28 14.048 5.904 21.117 1.00 25.00 H new ATOM 0 HD1 PHE A 28 11.146 8.054 20.037 1.00 25.00 H new ATOM 0 HD2 PHE A 28 15.055 6.529 19.096 1.00 25.00 H new ATOM 0 HE1 PHE A 28 11.175 9.433 17.960 1.00 25.00 H new ATOM 0 HE2 PHE A 28 15.102 7.920 17.026 1.00 25.00 H new ATOM 0 HZ PHE A 28 13.152 9.359 16.445 1.00 25.00 H new ATOM 424 N ASN A 29 12.940 3.345 22.062 1.00 25.00 N ATOM 425 CA ASN A 29 13.602 2.043 22.145 1.00 25.00 C ATOM 426 C ASN A 29 13.144 1.269 23.356 1.00 25.00 C ATOM 427 O ASN A 29 13.805 0.345 23.808 1.00 25.00 O ATOM 428 CB ASN A 29 15.131 2.234 22.165 1.00 25.00 C ATOM 429 CG ASN A 29 15.547 3.622 22.586 1.00 25.00 C ATOM 430 OD1 ASN A 29 15.170 4.111 23.647 1.00 25.00 O ATOM 431 ND2 ASN A 29 16.333 4.263 21.765 1.00 25.00 N ATOM 0 H ASN A 29 12.737 3.770 22.967 1.00 25.00 H new ATOM 0 HA ASN A 29 13.328 1.462 21.264 1.00 25.00 H new ATOM 0 HB2 ASN A 29 15.574 1.506 22.845 1.00 25.00 H new ATOM 0 HB3 ASN A 29 15.530 2.027 21.172 1.00 25.00 H new ATOM 0 HD21 ASN A 29 16.655 5.203 21.996 1.00 25.00 H new ATOM 0 HD22 ASN A 29 16.626 3.824 20.892 1.00 25.00 H new ATOM 438 N ARG A 30 11.976 1.654 23.855 1.00 25.00 N ATOM 439 CA ARG A 30 11.337 0.984 24.996 1.00 25.00 C ATOM 440 C ARG A 30 12.299 0.639 26.140 1.00 25.00 C ATOM 441 O ARG A 30 12.372 -0.504 26.573 1.00 25.00 O ATOM 442 CB ARG A 30 10.695 -0.288 24.477 1.00 25.00 C ATOM 443 CG ARG A 30 9.953 -0.066 23.191 1.00 25.00 C ATOM 444 CD ARG A 30 8.963 -1.165 22.925 1.00 25.00 C ATOM 445 NE ARG A 30 9.629 -2.470 22.775 1.00 25.00 N ATOM 446 CZ ARG A 30 9.017 -3.611 22.482 1.00 25.00 C ATOM 447 NH1 ARG A 30 7.723 -3.683 22.283 1.00 25.00 N ATOM 448 NH2 ARG A 30 9.726 -4.703 22.391 1.00 25.00 N ATOM 0 H ARG A 30 11.440 2.439 23.485 1.00 25.00 H new ATOM 0 HA ARG A 30 10.610 1.676 25.421 1.00 25.00 H new ATOM 0 HB2 ARG A 30 11.464 -1.045 24.324 1.00 25.00 H new ATOM 0 HB3 ARG A 30 10.008 -0.679 25.228 1.00 25.00 H new ATOM 0 HG2 ARG A 30 9.433 0.891 23.231 1.00 25.00 H new ATOM 0 HG3 ARG A 30 10.663 -0.008 22.366 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.245 -1.214 23.743 1.00 25.00 H new ATOM 0 HD3 ARG A 30 8.400 -0.937 22.020 1.00 25.00 H new ATOM 0 HE ARG A 30 10.640 -2.499 22.907 1.00 25.00 H new ATOM 0 HH11 ARG A 30 7.149 -2.843 22.351 1.00 25.00 H new ATOM 0 HH12 ARG A 30 7.290 -4.579 22.060 1.00 25.00 H new ATOM 0 HH21 ARG A 30 10.734 -4.671 22.544 1.00 25.00 H new ATOM 0 HH22 ARG A 30 9.272 -5.589 22.167 1.00 25.00 H new ATOM 462 N PRO A 31 13.108 1.616 26.583 1.00 25.00 N ATOM 463 CA PRO A 31 14.225 1.183 27.425 1.00 25.00 C ATOM 464 C PRO A 31 13.870 0.898 28.871 1.00 25.00 C ATOM 465 O PRO A 31 14.497 0.086 29.543 1.00 25.00 O ATOM 466 CB PRO A 31 15.169 2.378 27.352 1.00 25.00 C ATOM 467 CG PRO A 31 14.279 3.564 27.165 1.00 25.00 C ATOM 468 CD PRO A 31 13.183 3.054 26.261 1.00 25.00 C ATOM 0 HA PRO A 31 14.627 0.233 27.072 1.00 25.00 H new ATOM 0 HB2 PRO A 31 15.761 2.469 28.262 1.00 25.00 H new ATOM 0 HB3 PRO A 31 15.871 2.277 26.524 1.00 25.00 H new ATOM 0 HG2 PRO A 31 13.881 3.919 28.116 1.00 25.00 H new ATOM 0 HG3 PRO A 31 14.815 4.399 26.712 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.236 3.558 26.455 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.422 3.218 25.210 1.00 25.00 H new ATOM 476 N ALA A 32 12.901 1.667 29.343 1.00 25.00 N ATOM 477 CA ALA A 32 12.404 1.638 30.728 1.00 25.00 C ATOM 478 C ALA A 32 13.509 1.834 31.774 1.00 25.00 C ATOM 479 O ALA A 32 13.385 1.444 32.929 1.00 25.00 O ATOM 480 CB ALA A 32 11.618 0.336 30.986 1.00 25.00 C ATOM 0 H ALA A 32 12.418 2.353 28.763 1.00 25.00 H new ATOM 0 HA ALA A 32 11.733 2.490 30.840 1.00 25.00 H new ATOM 0 HB1 ALA A 32 11.256 0.327 32.014 1.00 25.00 H new ATOM 0 HB2 ALA A 32 10.771 0.281 30.302 1.00 25.00 H new ATOM 0 HB3 ALA A 32 12.271 -0.521 30.824 1.00 25.00 H new ATOM 486 N SER A 33 14.586 2.464 31.344 1.00 25.00 N ATOM 487 CA SER A 33 15.740 2.738 32.194 1.00 25.00 C ATOM 488 C SER A 33 16.481 3.929 31.616 1.00 25.00 C ATOM 489 O SER A 33 16.579 4.065 30.405 1.00 25.00 O ATOM 490 CB SER A 33 16.679 1.532 32.215 1.00 25.00 C ATOM 491 OG SER A 33 16.112 0.460 32.939 1.00 25.00 O ATOM 0 H SER A 33 14.690 2.805 30.388 1.00 25.00 H new ATOM 0 HA SER A 33 15.406 2.943 33.211 1.00 25.00 H new ATOM 0 HB2 SER A 33 16.891 1.214 31.194 1.00 25.00 H new ATOM 0 HB3 SER A 33 17.631 1.816 32.664 1.00 25.00 H new ATOM 0 HG SER A 33 15.185 0.677 33.173 1.00 25.00 H new ATOM 497 N ARG A 34 17.028 4.778 32.478 1.00 25.00 N ATOM 498 CA ARG A 34 17.744 5.983 32.025 1.00 25.00 C ATOM 499 C ARG A 34 19.238 5.751 31.838 1.00 25.00 C ATOM 500 O ARG A 34 20.019 6.686 31.766 1.00 25.00 O ATOM 501 CB ARG A 34 17.504 7.151 32.999 1.00 25.00 C ATOM 502 CG ARG A 34 18.159 6.989 34.380 1.00 25.00 C ATOM 503 CD ARG A 34 17.984 8.260 35.211 1.00 25.00 C ATOM 504 NE ARG A 34 18.811 8.241 36.432 1.00 25.00 N ATOM 505 CZ ARG A 34 18.428 7.793 37.625 1.00 25.00 C ATOM 506 NH1 ARG A 34 17.235 7.294 37.842 1.00 25.00 N ATOM 507 NH2 ARG A 34 19.269 7.849 38.621 1.00 25.00 N ATOM 0 H ARG A 34 16.994 4.663 33.491 1.00 25.00 H new ATOM 0 HA ARG A 34 17.338 6.237 31.046 1.00 25.00 H new ATOM 0 HB2 ARG A 34 17.876 8.068 32.542 1.00 25.00 H new ATOM 0 HB3 ARG A 34 16.430 7.276 33.135 1.00 25.00 H new ATOM 0 HG2 ARG A 34 17.714 6.142 34.903 1.00 25.00 H new ATOM 0 HG3 ARG A 34 19.220 6.769 34.262 1.00 25.00 H new ATOM 0 HD2 ARG A 34 18.250 9.127 34.607 1.00 25.00 H new ATOM 0 HD3 ARG A 34 16.935 8.372 35.485 1.00 25.00 H new ATOM 0 HE ARG A 34 19.761 8.604 36.355 1.00 25.00 H new ATOM 0 HH11 ARG A 34 16.559 7.238 37.080 1.00 25.00 H new ATOM 0 HH12 ARG A 34 16.983 6.962 38.773 1.00 25.00 H new ATOM 0 HH21 ARG A 34 20.204 8.232 38.478 1.00 25.00 H new ATOM 0 HH22 ARG A 34 18.992 7.510 39.542 1.00 25.00 H new ATOM 521 N VAL A 35 19.621 4.487 31.808 1.00 25.00 N ATOM 522 CA VAL A 35 21.038 4.106 31.715 1.00 25.00 C ATOM 523 C VAL A 35 21.379 3.389 30.418 1.00 25.00 C ATOM 524 O VAL A 35 22.545 3.201 30.111 1.00 25.00 O ATOM 525 CB VAL A 35 21.452 3.206 32.905 1.00 25.00 C ATOM 526 CG1 VAL A 35 21.287 3.974 34.212 1.00 25.00 C ATOM 527 CG2 VAL A 35 20.609 1.912 32.961 1.00 25.00 C ATOM 0 H VAL A 35 18.976 3.698 31.846 1.00 25.00 H new ATOM 0 HA VAL A 35 21.595 5.043 31.740 1.00 25.00 H new ATOM 0 HB VAL A 35 22.496 2.925 32.764 1.00 25.00 H new ATOM 0 HG11 VAL A 35 21.579 3.338 35.047 1.00 25.00 H new ATOM 0 HG12 VAL A 35 21.918 4.862 34.194 1.00 25.00 H new ATOM 0 HG13 VAL A 35 20.245 4.272 34.330 1.00 25.00 H new ATOM 0 HG21 VAL A 35 20.928 1.306 33.809 1.00 25.00 H new ATOM 0 HG22 VAL A 35 19.556 2.169 33.075 1.00 25.00 H new ATOM 0 HG23 VAL A 35 20.747 1.347 32.039 1.00 25.00 H new ATOM 537 N SER A 36 20.339 2.994 29.690 1.00 25.00 N ATOM 538 CA SER A 36 20.438 2.336 28.370 1.00 25.00 C ATOM 539 C SER A 36 21.722 1.537 28.101 1.00 25.00 C ATOM 540 O SER A 36 22.488 1.866 27.196 1.00 25.00 O ATOM 541 CB SER A 36 20.287 3.400 27.288 1.00 25.00 C ATOM 542 OG SER A 36 19.096 4.141 27.508 1.00 25.00 O ATOM 0 H SER A 36 19.376 3.121 30.000 1.00 25.00 H new ATOM 0 HA SER A 36 19.640 1.594 28.360 1.00 25.00 H new ATOM 0 HB2 SER A 36 21.149 4.067 27.298 1.00 25.00 H new ATOM 0 HB3 SER A 36 20.258 2.931 26.305 1.00 25.00 H new ATOM 0 HG SER A 36 19.003 4.825 26.812 1.00 25.00 H new ATOM 548 N ARG A 37 21.962 0.498 28.894 1.00 25.00 N ATOM 549 CA ARG A 37 23.218 -0.271 28.829 1.00 25.00 C ATOM 550 C ARG A 37 23.282 -1.285 27.679 1.00 25.00 C ATOM 551 O ARG A 37 23.637 -2.435 27.879 1.00 25.00 O ATOM 552 CB ARG A 37 23.471 -0.967 30.173 1.00 25.00 C ATOM 553 CG ARG A 37 23.711 0.018 31.312 1.00 25.00 C ATOM 554 CD ARG A 37 23.953 -0.699 32.630 1.00 25.00 C ATOM 555 NE ARG A 37 24.228 0.261 33.713 1.00 25.00 N ATOM 556 CZ ARG A 37 24.440 -0.057 34.986 1.00 25.00 C ATOM 557 NH1 ARG A 37 24.414 -1.297 35.413 1.00 25.00 N ATOM 558 NH2 ARG A 37 24.683 0.892 35.847 1.00 25.00 N ATOM 0 H ARG A 37 21.304 0.161 29.596 1.00 25.00 H new ATOM 0 HA ARG A 37 24.006 0.453 28.621 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.616 -1.597 30.418 1.00 25.00 H new ATOM 0 HB3 ARG A 37 24.335 -1.625 30.079 1.00 25.00 H new ATOM 0 HG2 ARG A 37 24.570 0.646 31.076 1.00 25.00 H new ATOM 0 HG3 ARG A 37 22.850 0.679 31.410 1.00 25.00 H new ATOM 0 HD2 ARG A 37 23.081 -1.301 32.886 1.00 25.00 H new ATOM 0 HD3 ARG A 37 24.794 -1.385 32.526 1.00 25.00 H new ATOM 0 HE ARG A 37 24.258 1.250 33.466 1.00 25.00 H new ATOM 0 HH11 ARG A 37 24.226 -2.057 34.760 1.00 25.00 H new ATOM 0 HH12 ARG A 37 24.582 -1.501 36.398 1.00 25.00 H new ATOM 0 HH21 ARG A 37 24.709 1.864 35.540 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.847 0.662 36.827 1.00 25.00 H new ATOM 572 N ARG A 38 22.965 -0.808 26.481 1.00 25.00 N ATOM 573 CA ARG A 38 23.096 -1.563 25.221 1.00 25.00 C ATOM 574 C ARG A 38 22.650 -3.014 25.267 1.00 25.00 C ATOM 575 O ARG A 38 23.340 -3.924 24.824 1.00 25.00 O ATOM 576 CB ARG A 38 24.532 -1.445 24.705 1.00 25.00 C ATOM 577 CG ARG A 38 24.781 -0.085 24.106 1.00 25.00 C ATOM 578 CD ARG A 38 24.262 -0.038 22.665 1.00 25.00 C ATOM 579 NE ARG A 38 24.516 1.260 22.018 1.00 25.00 N ATOM 580 CZ ARG A 38 24.027 1.633 20.838 1.00 25.00 C ATOM 581 NH1 ARG A 38 23.234 0.861 20.133 1.00 25.00 N ATOM 582 NH2 ARG A 38 24.334 2.807 20.364 1.00 25.00 N ATOM 0 H ARG A 38 22.601 0.135 26.346 1.00 25.00 H new ATOM 0 HA ARG A 38 22.393 -1.100 24.529 1.00 25.00 H new ATOM 0 HB2 ARG A 38 25.231 -1.620 25.523 1.00 25.00 H new ATOM 0 HB3 ARG A 38 24.718 -2.215 23.957 1.00 25.00 H new ATOM 0 HG2 ARG A 38 24.285 0.680 24.704 1.00 25.00 H new ATOM 0 HG3 ARG A 38 25.848 0.138 24.123 1.00 25.00 H new ATOM 0 HD2 ARG A 38 24.737 -0.829 22.085 1.00 25.00 H new ATOM 0 HD3 ARG A 38 23.191 -0.239 22.661 1.00 25.00 H new ATOM 0 HE ARG A 38 25.112 1.924 22.512 1.00 25.00 H new ATOM 0 HH11 ARG A 38 22.973 -0.060 20.486 1.00 25.00 H new ATOM 0 HH12 ARG A 38 22.879 1.182 19.232 1.00 25.00 H new ATOM 0 HH21 ARG A 38 24.943 3.429 20.896 1.00 25.00 H new ATOM 0 HH22 ARG A 38 23.966 3.105 19.461 1.00 25.00 H new ATOM 596 N SER A 39 21.421 -3.189 25.706 1.00 25.00 N ATOM 597 CA SER A 39 20.754 -4.477 25.585 1.00 25.00 C ATOM 598 C SER A 39 20.628 -4.733 24.075 1.00 25.00 C ATOM 599 O SER A 39 20.410 -3.786 23.313 1.00 25.00 O ATOM 600 CB SER A 39 19.380 -4.418 26.245 1.00 25.00 C ATOM 601 OG SER A 39 19.508 -3.981 27.589 1.00 25.00 O ATOM 0 H SER A 39 20.861 -2.460 26.149 1.00 25.00 H new ATOM 0 HA SER A 39 21.308 -5.276 26.078 1.00 25.00 H new ATOM 0 HB2 SER A 39 18.731 -3.739 25.693 1.00 25.00 H new ATOM 0 HB3 SER A 39 18.911 -5.401 26.216 1.00 25.00 H new ATOM 0 HG SER A 39 18.622 -3.944 28.007 1.00 25.00 H new ATOM 607 N PRO A 40 20.809 -5.985 23.617 1.00 25.00 N ATOM 608 CA PRO A 40 20.823 -6.271 22.174 1.00 25.00 C ATOM 609 C PRO A 40 19.439 -6.328 21.500 1.00 25.00 C ATOM 610 O PRO A 40 19.050 -7.336 20.914 1.00 25.00 O ATOM 611 CB PRO A 40 21.540 -7.621 22.118 1.00 25.00 C ATOM 612 CG PRO A 40 21.101 -8.300 23.358 1.00 25.00 C ATOM 613 CD PRO A 40 21.092 -7.204 24.402 1.00 25.00 C ATOM 0 HA PRO A 40 21.308 -5.471 21.615 1.00 25.00 H new ATOM 0 HB2 PRO A 40 21.260 -8.187 21.230 1.00 25.00 H new ATOM 0 HB3 PRO A 40 22.623 -7.499 22.089 1.00 25.00 H new ATOM 0 HG2 PRO A 40 20.113 -8.745 23.240 1.00 25.00 H new ATOM 0 HG3 PRO A 40 21.782 -9.105 23.633 1.00 25.00 H new ATOM 0 HD2 PRO A 40 20.330 -7.379 25.161 1.00 25.00 H new ATOM 0 HD3 PRO A 40 22.048 -7.135 24.920 1.00 25.00 H new ATOM 621 N GLN A 41 18.702 -5.232 21.576 1.00 25.00 N ATOM 622 CA GLN A 41 17.407 -5.106 20.944 1.00 25.00 C ATOM 623 C GLN A 41 17.385 -3.792 20.173 1.00 25.00 C ATOM 624 O GLN A 41 18.179 -2.897 20.450 1.00 25.00 O ATOM 625 CB GLN A 41 16.321 -5.105 22.008 1.00 25.00 C ATOM 626 CG GLN A 41 16.073 -6.481 22.615 1.00 25.00 C ATOM 627 CD GLN A 41 14.807 -6.530 23.437 1.00 25.00 C ATOM 628 OE1 GLN A 41 14.600 -5.724 24.326 1.00 25.00 O ATOM 629 NE2 GLN A 41 13.949 -7.470 23.136 1.00 25.00 N ATOM 0 H GLN A 41 18.993 -4.397 22.085 1.00 25.00 H new ATOM 0 HA GLN A 41 17.228 -5.940 20.266 1.00 25.00 H new ATOM 0 HB2 GLN A 41 16.599 -4.410 22.801 1.00 25.00 H new ATOM 0 HB3 GLN A 41 15.393 -4.735 21.571 1.00 25.00 H new ATOM 0 HG2 GLN A 41 16.013 -7.221 21.817 1.00 25.00 H new ATOM 0 HG3 GLN A 41 16.921 -6.756 23.242 1.00 25.00 H new ATOM 0 HE21 GLN A 41 14.156 -8.128 22.385 1.00 25.00 H new ATOM 0 HE22 GLN A 41 13.073 -7.545 23.653 1.00 25.00 H new ATOM 638 N ARG A 42 16.488 -3.690 19.199 1.00 25.00 N ATOM 639 CA ARG A 42 16.364 -2.484 18.378 1.00 25.00 C ATOM 640 C ARG A 42 15.233 -1.599 18.862 1.00 25.00 C ATOM 641 O ARG A 42 14.259 -2.078 19.441 1.00 25.00 O ATOM 642 CB ARG A 42 16.040 -2.857 16.933 1.00 25.00 C ATOM 643 CG ARG A 42 17.136 -3.588 16.191 1.00 25.00 C ATOM 644 CD ARG A 42 16.647 -3.831 14.785 1.00 25.00 C ATOM 645 NE ARG A 42 17.565 -4.628 13.959 1.00 25.00 N ATOM 646 CZ ARG A 42 17.298 -5.037 12.723 1.00 25.00 C ATOM 647 NH1 ARG A 42 16.169 -4.762 12.118 1.00 25.00 N ATOM 648 NH2 ARG A 42 18.185 -5.751 12.086 1.00 25.00 N ATOM 0 H ARG A 42 15.831 -4.431 18.955 1.00 25.00 H new ATOM 0 HA ARG A 42 17.315 -1.957 18.450 1.00 25.00 H new ATOM 0 HB2 ARG A 42 15.144 -3.478 16.928 1.00 25.00 H new ATOM 0 HB3 ARG A 42 15.799 -1.946 16.386 1.00 25.00 H new ATOM 0 HG2 ARG A 42 18.052 -2.998 16.182 1.00 25.00 H new ATOM 0 HG3 ARG A 42 17.370 -4.532 16.684 1.00 25.00 H new ATOM 0 HD2 ARG A 42 15.683 -4.338 14.830 1.00 25.00 H new ATOM 0 HD3 ARG A 42 16.480 -2.870 14.299 1.00 25.00 H new ATOM 0 HE ARG A 42 18.467 -4.884 14.361 1.00 25.00 H new ATOM 0 HH11 ARG A 42 15.454 -4.214 12.597 1.00 25.00 H new ATOM 0 HH12 ARG A 42 16.005 -5.096 11.168 1.00 25.00 H new ATOM 0 HH21 ARG A 42 19.069 -5.988 12.537 1.00 25.00 H new ATOM 0 HH22 ARG A 42 17.995 -6.072 11.137 1.00 25.00 H new ATOM 662 N GLY A 43 15.343 -0.330 18.521 1.00 25.00 N ATOM 663 CA GLY A 43 14.275 0.629 18.694 1.00 25.00 C ATOM 664 C GLY A 43 13.745 1.071 17.339 1.00 25.00 C ATOM 665 O GLY A 43 14.021 0.462 16.307 1.00 25.00 O ATOM 0 H GLY A 43 16.188 0.067 18.111 1.00 25.00 H new ATOM 0 HA2 GLY A 43 13.470 0.187 19.281 1.00 25.00 H new ATOM 0 HA3 GLY A 43 14.638 1.493 19.251 1.00 25.00 H new ATOM 669 N ILE A 44 12.968 2.139 17.350 1.00 25.00 N ATOM 670 CA ILE A 44 12.289 2.644 16.165 1.00 25.00 C ATOM 671 C ILE A 44 13.206 3.248 15.089 1.00 25.00 C ATOM 672 O ILE A 44 12.899 3.173 13.912 1.00 25.00 O ATOM 673 CB ILE A 44 11.235 3.715 16.608 1.00 25.00 C ATOM 674 CG1 ILE A 44 10.300 4.094 15.460 1.00 25.00 C ATOM 675 CG2 ILE A 44 11.906 5.009 17.117 1.00 25.00 C ATOM 676 CD1 ILE A 44 9.162 3.137 15.239 1.00 25.00 C ATOM 0 H ILE A 44 12.787 2.688 18.190 1.00 25.00 H new ATOM 0 HA ILE A 44 11.826 1.777 15.694 1.00 25.00 H new ATOM 0 HB ILE A 44 10.667 3.254 17.416 1.00 25.00 H new ATOM 0 HG12 ILE A 44 9.891 5.086 15.654 1.00 25.00 H new ATOM 0 HG13 ILE A 44 10.883 4.163 14.542 1.00 25.00 H new ATOM 0 HG21 ILE A 44 11.139 5.724 17.414 1.00 25.00 H new ATOM 0 HG22 ILE A 44 12.538 4.778 17.975 1.00 25.00 H new ATOM 0 HG23 ILE A 44 12.516 5.440 16.323 1.00 25.00 H new ATOM 0 HD11 ILE A 44 8.551 3.485 14.406 1.00 25.00 H new ATOM 0 HD12 ILE A 44 9.558 2.147 15.011 1.00 25.00 H new ATOM 0 HD13 ILE A 44 8.551 3.084 16.140 1.00 25.00 H new ATOM 688 N VAL A 45 14.312 3.874 15.459 1.00 25.00 N ATOM 689 CA VAL A 45 15.123 4.575 14.462 1.00 25.00 C ATOM 690 C VAL A 45 15.834 3.517 13.640 1.00 25.00 C ATOM 691 O VAL A 45 16.067 3.666 12.448 1.00 25.00 O ATOM 692 CB VAL A 45 16.055 5.666 15.105 1.00 25.00 C ATOM 693 CG1 VAL A 45 16.883 5.117 16.251 1.00 25.00 C ATOM 694 CG2 VAL A 45 16.954 6.313 14.061 1.00 25.00 C ATOM 0 H VAL A 45 14.666 3.915 16.415 1.00 25.00 H new ATOM 0 HA VAL A 45 14.501 5.166 13.790 1.00 25.00 H new ATOM 0 HB VAL A 45 15.396 6.431 15.516 1.00 25.00 H new ATOM 0 HG11 VAL A 45 17.509 5.910 16.660 1.00 25.00 H new ATOM 0 HG12 VAL A 45 16.221 4.739 17.030 1.00 25.00 H new ATOM 0 HG13 VAL A 45 17.515 4.307 15.888 1.00 25.00 H new ATOM 0 HG21 VAL A 45 17.585 7.062 14.539 1.00 25.00 H new ATOM 0 HG22 VAL A 45 17.582 5.551 13.599 1.00 25.00 H new ATOM 0 HG23 VAL A 45 16.340 6.790 13.297 1.00 25.00 H new ATOM 704 N GLU A 46 16.088 2.395 14.271 1.00 25.00 N ATOM 705 CA GLU A 46 16.715 1.268 13.619 1.00 25.00 C ATOM 706 C GLU A 46 15.755 0.590 12.651 1.00 25.00 C ATOM 707 O GLU A 46 16.164 0.087 11.608 1.00 25.00 O ATOM 708 CB GLU A 46 17.196 0.317 14.694 1.00 25.00 C ATOM 709 CG GLU A 46 18.110 1.025 15.686 1.00 25.00 C ATOM 710 CD GLU A 46 17.452 1.359 17.005 1.00 25.00 C ATOM 711 OE1 GLU A 46 16.505 2.168 17.043 1.00 25.00 O ATOM 712 OE2 GLU A 46 17.888 0.792 18.026 1.00 25.00 O ATOM 0 H GLU A 46 15.865 2.237 15.254 1.00 25.00 H new ATOM 0 HA GLU A 46 17.563 1.602 13.022 1.00 25.00 H new ATOM 0 HB2 GLU A 46 16.340 -0.104 15.221 1.00 25.00 H new ATOM 0 HB3 GLU A 46 17.729 -0.516 14.235 1.00 25.00 H new ATOM 0 HG2 GLU A 46 18.979 0.395 15.876 1.00 25.00 H new ATOM 0 HG3 GLU A 46 18.476 1.946 15.232 1.00 25.00 H new ATOM 719 N GLU A 47 14.473 0.635 12.970 1.00 25.00 N ATOM 720 CA GLU A 47 13.444 0.069 12.091 1.00 25.00 C ATOM 721 C GLU A 47 12.993 1.029 10.981 1.00 25.00 C ATOM 722 O GLU A 47 12.672 0.592 9.887 1.00 25.00 O ATOM 723 CB GLU A 47 12.220 -0.358 12.913 1.00 25.00 C ATOM 724 CG GLU A 47 12.488 -1.559 13.819 1.00 25.00 C ATOM 725 CD GLU A 47 12.934 -2.789 13.036 1.00 25.00 C ATOM 726 OE1 GLU A 47 12.170 -3.278 12.184 1.00 25.00 O ATOM 727 OE2 GLU A 47 14.069 -3.264 13.267 1.00 25.00 O ATOM 0 H GLU A 47 14.113 1.055 13.827 1.00 25.00 H new ATOM 0 HA GLU A 47 13.902 -0.793 11.607 1.00 25.00 H new ATOM 0 HB2 GLU A 47 11.890 0.482 13.524 1.00 25.00 H new ATOM 0 HB3 GLU A 47 11.402 -0.599 12.234 1.00 25.00 H new ATOM 0 HG2 GLU A 47 13.255 -1.297 14.547 1.00 25.00 H new ATOM 0 HG3 GLU A 47 11.584 -1.797 14.380 1.00 25.00 H new ATOM 734 N CYS A 48 12.948 2.326 11.268 1.00 25.00 N ATOM 735 CA CYS A 48 12.419 3.317 10.320 1.00 25.00 C ATOM 736 C CYS A 48 13.446 4.194 9.596 1.00 25.00 C ATOM 737 O CYS A 48 13.093 4.852 8.630 1.00 25.00 O ATOM 738 CB CYS A 48 11.443 4.246 11.041 1.00 25.00 C ATOM 739 SG CYS A 48 9.916 3.434 11.608 1.00 25.00 S ATOM 0 H CYS A 48 13.271 2.722 12.151 1.00 25.00 H new ATOM 0 HA CYS A 48 11.949 2.709 9.547 1.00 25.00 H new ATOM 0 HB2 CYS A 48 11.947 4.687 11.901 1.00 25.00 H new ATOM 0 HB3 CYS A 48 11.178 5.065 10.372 1.00 25.00 H new ATOM 744 N CYS A 49 14.690 4.235 10.053 1.00 25.00 N ATOM 745 CA CYS A 49 15.723 5.044 9.381 1.00 25.00 C ATOM 746 C CYS A 49 16.809 4.151 8.791 1.00 25.00 C ATOM 747 O CYS A 49 17.210 4.321 7.643 1.00 25.00 O ATOM 748 CB CYS A 49 16.344 6.061 10.351 1.00 25.00 C ATOM 749 SG CYS A 49 17.439 7.274 9.538 1.00 25.00 S ATOM 0 H CYS A 49 15.016 3.728 10.876 1.00 25.00 H new ATOM 0 HA CYS A 49 15.242 5.591 8.570 1.00 25.00 H new ATOM 0 HB2 CYS A 49 15.545 6.594 10.866 1.00 25.00 H new ATOM 0 HB3 CYS A 49 16.911 5.525 11.112 1.00 25.00 H new ATOM 754 N PHE A 50 17.266 3.172 9.563 1.00 25.00 N ATOM 755 CA PHE A 50 18.267 2.223 9.066 1.00 25.00 C ATOM 756 C PHE A 50 17.579 1.153 8.208 1.00 25.00 C ATOM 757 O PHE A 50 18.227 0.449 7.427 1.00 25.00 O ATOM 758 CB PHE A 50 19.024 1.567 10.226 1.00 25.00 C ATOM 759 CG PHE A 50 19.906 2.522 10.996 1.00 25.00 C ATOM 760 CD1 PHE A 50 19.379 3.305 12.040 1.00 25.00 C ATOM 761 CD2 PHE A 50 21.274 2.638 10.689 1.00 25.00 C ATOM 762 CE1 PHE A 50 20.194 4.184 12.778 1.00 25.00 C ATOM 763 CE2 PHE A 50 22.108 3.528 11.422 1.00 25.00 C ATOM 764 CZ PHE A 50 21.557 4.301 12.470 1.00 25.00 C ATOM 0 H PHE A 50 16.967 3.011 10.525 1.00 25.00 H new ATOM 0 HA PHE A 50 18.990 2.766 8.457 1.00 25.00 H new ATOM 0 HB2 PHE A 50 18.304 1.120 10.911 1.00 25.00 H new ATOM 0 HB3 PHE A 50 19.638 0.756 9.835 1.00 25.00 H new ATOM 0 HD1 PHE A 50 18.329 3.230 12.280 1.00 25.00 H new ATOM 0 HD2 PHE A 50 21.695 2.046 9.890 1.00 25.00 H new ATOM 0 HE1 PHE A 50 19.770 4.768 13.581 1.00 25.00 H new ATOM 0 HE2 PHE A 50 23.157 3.613 11.179 1.00 25.00 H new ATOM 0 HZ PHE A 50 22.183 4.979 13.031 1.00 25.00 H new ATOM 774 N ARG A 51 16.261 1.061 8.341 1.00 25.00 N ATOM 775 CA ARG A 51 15.430 0.170 7.530 1.00 25.00 C ATOM 776 C ARG A 51 14.140 0.908 7.242 1.00 25.00 C ATOM 777 O ARG A 51 13.993 2.056 7.621 1.00 25.00 O ATOM 778 CB ARG A 51 15.130 -1.148 8.266 1.00 25.00 C ATOM 779 CG ARG A 51 16.274 -2.160 8.220 1.00 25.00 C ATOM 780 CD ARG A 51 16.464 -2.687 6.793 1.00 25.00 C ATOM 781 NE ARG A 51 17.618 -3.591 6.670 1.00 25.00 N ATOM 782 CZ ARG A 51 18.027 -4.151 5.537 1.00 25.00 C ATOM 783 NH1 ARG A 51 17.411 -3.953 4.395 1.00 25.00 N ATOM 784 NH2 ARG A 51 19.076 -4.925 5.550 1.00 25.00 N ATOM 0 H ARG A 51 15.731 1.607 9.021 1.00 25.00 H new ATOM 0 HA ARG A 51 15.953 -0.092 6.610 1.00 25.00 H new ATOM 0 HB2 ARG A 51 14.897 -0.926 9.307 1.00 25.00 H new ATOM 0 HB3 ARG A 51 14.240 -1.601 7.830 1.00 25.00 H new ATOM 0 HG2 ARG A 51 17.195 -1.693 8.568 1.00 25.00 H new ATOM 0 HG3 ARG A 51 16.062 -2.989 8.895 1.00 25.00 H new ATOM 0 HD2 ARG A 51 15.561 -3.212 6.481 1.00 25.00 H new ATOM 0 HD3 ARG A 51 16.594 -1.845 6.113 1.00 25.00 H new ATOM 0 HE ARG A 51 18.143 -3.804 7.518 1.00 25.00 H new ATOM 0 HH11 ARG A 51 16.588 -3.351 4.357 1.00 25.00 H new ATOM 0 HH12 ARG A 51 17.755 -4.401 3.546 1.00 25.00 H new ATOM 0 HH21 ARG A 51 19.573 -5.095 6.424 1.00 25.00 H new ATOM 0 HH22 ARG A 51 19.399 -5.360 4.686 1.00 25.00 H new ATOM 798 N SER A 52 13.239 0.248 6.534 1.00 25.00 N ATOM 799 CA SER A 52 11.949 0.802 6.181 1.00 25.00 C ATOM 800 C SER A 52 10.877 0.285 7.132 1.00 25.00 C ATOM 801 O SER A 52 10.937 -0.869 7.556 1.00 25.00 O ATOM 802 CB SER A 52 11.624 0.338 4.776 1.00 25.00 C ATOM 803 OG SER A 52 11.693 -1.078 4.707 1.00 25.00 O ATOM 0 H SER A 52 13.388 -0.699 6.185 1.00 25.00 H new ATOM 0 HA SER A 52 11.978 1.890 6.244 1.00 25.00 H new ATOM 0 HB2 SER A 52 10.627 0.676 4.493 1.00 25.00 H new ATOM 0 HB3 SER A 52 12.324 0.780 4.067 1.00 25.00 H new ATOM 0 HG SER A 52 11.480 -1.372 3.797 1.00 25.00 H new ATOM 809 N CYS A 53 9.876 1.107 7.406 1.00 25.00 N ATOM 810 CA CYS A 53 8.776 0.733 8.288 1.00 25.00 C ATOM 811 C CYS A 53 7.461 1.310 7.753 1.00 25.00 C ATOM 812 O CYS A 53 7.427 1.885 6.662 1.00 25.00 O ATOM 813 CB CYS A 53 9.055 1.249 9.703 1.00 25.00 C ATOM 814 SG CYS A 53 8.909 3.054 9.888 1.00 25.00 S ATOM 0 H CYS A 53 9.801 2.050 7.025 1.00 25.00 H new ATOM 0 HA CYS A 53 8.689 -0.353 8.322 1.00 25.00 H new ATOM 0 HB2 CYS A 53 8.364 0.768 10.395 1.00 25.00 H new ATOM 0 HB3 CYS A 53 10.060 0.946 9.995 1.00 25.00 H new ATOM 819 N ASP A 54 6.393 1.149 8.522 1.00 25.00 N ATOM 820 CA ASP A 54 5.066 1.657 8.173 1.00 25.00 C ATOM 821 C ASP A 54 4.471 2.265 9.446 1.00 25.00 C ATOM 822 O ASP A 54 4.969 1.982 10.537 1.00 25.00 O ATOM 823 CB ASP A 54 4.184 0.508 7.684 1.00 25.00 C ATOM 824 CG ASP A 54 2.754 0.936 7.481 1.00 25.00 C ATOM 825 OD1 ASP A 54 2.531 1.940 6.779 1.00 25.00 O ATOM 826 OD2 ASP A 54 1.888 0.411 8.200 1.00 25.00 O ATOM 0 H ASP A 54 6.420 0.658 9.415 1.00 25.00 H new ATOM 0 HA ASP A 54 5.128 2.400 7.378 1.00 25.00 H new ATOM 0 HB2 ASP A 54 4.582 0.120 6.746 1.00 25.00 H new ATOM 0 HB3 ASP A 54 4.219 -0.307 8.407 1.00 25.00 H new ATOM 831 N LEU A 55 3.411 3.060 9.321 1.00 25.00 N ATOM 832 CA LEU A 55 2.750 3.692 10.473 1.00 25.00 C ATOM 833 C LEU A 55 2.288 2.669 11.493 1.00 25.00 C ATOM 834 O LEU A 55 2.259 2.940 12.686 1.00 25.00 O ATOM 835 CB LEU A 55 1.548 4.538 9.999 1.00 25.00 C ATOM 836 CG LEU A 55 0.084 4.103 10.241 1.00 25.00 C ATOM 837 CD1 LEU A 55 -0.816 5.339 10.215 1.00 25.00 C ATOM 838 CD2 LEU A 55 -0.393 3.121 9.162 1.00 25.00 C ATOM 0 H LEU A 55 2.983 3.287 8.424 1.00 25.00 H new ATOM 0 HA LEU A 55 3.484 4.337 10.957 1.00 25.00 H new ATOM 0 HB2 LEU A 55 1.661 5.523 10.452 1.00 25.00 H new ATOM 0 HB3 LEU A 55 1.662 4.668 8.923 1.00 25.00 H new ATOM 0 HG LEU A 55 0.032 3.606 11.210 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -1.850 5.040 10.385 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.505 6.032 10.997 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.735 5.828 9.244 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -1.426 2.835 9.361 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -0.331 3.597 8.184 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.238 2.233 9.174 1.00 25.00 H new ATOM 850 N ALA A 56 1.927 1.493 11.020 1.00 25.00 N ATOM 851 CA ALA A 56 1.411 0.452 11.880 1.00 25.00 C ATOM 852 C ALA A 56 2.529 -0.137 12.748 1.00 25.00 C ATOM 853 O ALA A 56 2.351 -0.360 13.940 1.00 25.00 O ATOM 854 CB ALA A 56 0.779 -0.593 11.009 1.00 25.00 C ATOM 0 H ALA A 56 1.983 1.235 10.035 1.00 25.00 H new ATOM 0 HA ALA A 56 0.665 0.857 12.564 1.00 25.00 H new ATOM 0 HB1 ALA A 56 0.380 -1.393 11.632 1.00 25.00 H new ATOM 0 HB2 ALA A 56 -0.030 -0.145 10.432 1.00 25.00 H new ATOM 0 HB3 ALA A 56 1.527 -1.001 10.329 1.00 25.00 H new ATOM 860 N LEU A 57 3.698 -0.331 12.150 1.00 25.00 N ATOM 861 CA LEU A 57 4.874 -0.810 12.882 1.00 25.00 C ATOM 862 C LEU A 57 5.274 0.270 13.878 1.00 25.00 C ATOM 863 O LEU A 57 5.584 0.005 15.034 1.00 25.00 O ATOM 864 CB LEU A 57 6.019 -1.088 11.890 1.00 25.00 C ATOM 865 CG LEU A 57 7.321 -1.728 12.420 1.00 25.00 C ATOM 866 CD1 LEU A 57 8.064 -2.363 11.243 1.00 25.00 C ATOM 867 CD2 LEU A 57 8.260 -0.734 13.125 1.00 25.00 C ATOM 0 H LEU A 57 3.862 -0.165 11.157 1.00 25.00 H new ATOM 0 HA LEU A 57 4.653 -1.737 13.412 1.00 25.00 H new ATOM 0 HB2 LEU A 57 5.627 -1.737 11.106 1.00 25.00 H new ATOM 0 HB3 LEU A 57 6.284 -0.142 11.418 1.00 25.00 H new ATOM 0 HG LEU A 57 7.032 -2.466 13.168 1.00 25.00 H new ATOM 0 HD11 LEU A 57 8.987 -2.820 11.599 1.00 25.00 H new ATOM 0 HD12 LEU A 57 7.435 -3.126 10.784 1.00 25.00 H new ATOM 0 HD13 LEU A 57 8.300 -1.596 10.505 1.00 25.00 H new ATOM 0 HD21 LEU A 57 9.152 -1.258 13.469 1.00 25.00 H new ATOM 0 HD22 LEU A 57 8.547 0.052 12.427 1.00 25.00 H new ATOM 0 HD23 LEU A 57 7.747 -0.292 13.979 1.00 25.00 H new ATOM 879 N LEU A 58 5.244 1.501 13.408 1.00 25.00 N ATOM 880 CA LEU A 58 5.622 2.655 14.183 1.00 25.00 C ATOM 881 C LEU A 58 4.732 2.863 15.415 1.00 25.00 C ATOM 882 O LEU A 58 5.212 3.200 16.496 1.00 25.00 O ATOM 883 CB LEU A 58 5.563 3.831 13.215 1.00 25.00 C ATOM 884 CG LEU A 58 6.159 5.146 13.653 1.00 25.00 C ATOM 885 CD1 LEU A 58 6.784 5.844 12.461 1.00 25.00 C ATOM 886 CD2 LEU A 58 5.107 6.011 14.255 1.00 25.00 C ATOM 0 H LEU A 58 4.950 1.726 12.458 1.00 25.00 H new ATOM 0 HA LEU A 58 6.621 2.535 14.602 1.00 25.00 H new ATOM 0 HB2 LEU A 58 6.062 3.530 12.294 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.516 4.006 12.967 1.00 25.00 H new ATOM 0 HG LEU A 58 6.927 4.957 14.402 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.214 6.794 12.780 1.00 25.00 H new ATOM 0 HD12 LEU A 58 7.568 5.214 12.040 1.00 25.00 H new ATOM 0 HD13 LEU A 58 6.020 6.027 11.705 1.00 25.00 H new ATOM 0 HD21 LEU A 58 5.549 6.957 14.567 1.00 25.00 H new ATOM 0 HD22 LEU A 58 4.326 6.201 13.518 1.00 25.00 H new ATOM 0 HD23 LEU A 58 4.675 5.509 15.121 1.00 25.00 H new ATOM 898 N GLU A 59 3.446 2.597 15.257 1.00 25.00 N ATOM 899 CA GLU A 59 2.465 2.727 16.337 1.00 25.00 C ATOM 900 C GLU A 59 2.712 1.768 17.513 1.00 25.00 C ATOM 901 O GLU A 59 2.288 2.026 18.633 1.00 25.00 O ATOM 902 CB GLU A 59 1.065 2.502 15.748 1.00 25.00 C ATOM 903 CG GLU A 59 -0.073 2.727 16.729 1.00 25.00 C ATOM 904 CD GLU A 59 -1.424 2.667 16.074 1.00 25.00 C ATOM 905 OE1 GLU A 59 -2.231 1.804 16.297 1.00 25.00 O ATOM 906 OE2 GLU A 59 -1.645 3.641 15.248 1.00 25.00 O ATOM 0 H GLU A 59 3.045 2.283 14.373 1.00 25.00 H new ATOM 0 HA GLU A 59 2.560 3.730 16.753 1.00 25.00 H new ATOM 0 HB2 GLU A 59 0.931 3.169 14.896 1.00 25.00 H new ATOM 0 HB3 GLU A 59 1.004 1.482 15.367 1.00 25.00 H new ATOM 0 HG2 GLU A 59 -0.022 1.975 17.517 1.00 25.00 H new ATOM 0 HG3 GLU A 59 0.052 3.699 17.207 1.00 25.00 H new ATOM 914 N THR A 60 3.442 0.690 17.289 1.00 25.00 N ATOM 915 CA THR A 60 3.723 -0.264 18.369 1.00 25.00 C ATOM 916 C THR A 60 4.581 0.347 19.481 1.00 25.00 C ATOM 917 O THR A 60 4.665 -0.192 20.585 1.00 25.00 O ATOM 918 CB THR A 60 4.391 -1.541 17.843 1.00 25.00 C ATOM 919 OG1 THR A 60 5.712 -1.248 17.380 1.00 25.00 O ATOM 920 CG2 THR A 60 3.580 -2.118 16.692 1.00 25.00 C ATOM 0 H THR A 60 3.850 0.447 16.386 1.00 25.00 H new ATOM 0 HA THR A 60 2.754 -0.525 18.794 1.00 25.00 H new ATOM 0 HB THR A 60 4.440 -2.266 18.655 1.00 25.00 H new ATOM 0 HG1 THR A 60 5.673 -0.533 16.711 1.00 25.00 H new ATOM 0 HG21 THR A 60 4.062 -3.024 16.325 1.00 25.00 H new ATOM 0 HG22 THR A 60 2.575 -2.357 17.039 1.00 25.00 H new ATOM 0 HG23 THR A 60 3.521 -1.387 15.886 1.00 25.00 H new ATOM 928 N TYR A 61 5.228 1.466 19.181 1.00 25.00 N ATOM 929 CA TYR A 61 6.062 2.164 20.151 1.00 25.00 C ATOM 930 C TYR A 61 5.294 3.189 21.000 1.00 25.00 C ATOM 931 O TYR A 61 5.902 3.863 21.831 1.00 25.00 O ATOM 932 CB TYR A 61 7.215 2.857 19.423 1.00 25.00 C ATOM 933 CG TYR A 61 8.331 1.903 19.057 1.00 25.00 C ATOM 934 CD1 TYR A 61 8.260 1.108 17.893 1.00 25.00 C ATOM 935 CD2 TYR A 61 9.465 1.783 19.887 1.00 25.00 C ATOM 936 CE1 TYR A 61 9.306 0.206 17.564 1.00 25.00 C ATOM 937 CE2 TYR A 61 10.507 0.874 19.569 1.00 25.00 C ATOM 938 CZ TYR A 61 10.413 0.094 18.409 1.00 25.00 C ATOM 939 OH TYR A 61 11.411 -0.788 18.098 1.00 25.00 O ATOM 0 H TYR A 61 5.190 1.913 18.265 1.00 25.00 H new ATOM 0 HA TYR A 61 6.436 1.410 20.844 1.00 25.00 H new ATOM 0 HB2 TYR A 61 6.835 3.330 18.517 1.00 25.00 H new ATOM 0 HB3 TYR A 61 7.614 3.651 20.055 1.00 25.00 H new ATOM 0 HD1 TYR A 61 7.400 1.187 17.245 1.00 25.00 H new ATOM 0 HD2 TYR A 61 9.541 2.391 20.776 1.00 25.00 H new ATOM 0 HE1 TYR A 61 9.246 -0.390 16.665 1.00 25.00 H new ATOM 0 HE2 TYR A 61 11.367 0.784 20.217 1.00 25.00 H new ATOM 0 HH TYR A 61 11.468 -0.888 17.125 1.00 25.00 H new ATOM 949 N CYS A 62 3.985 3.313 20.821 1.00 25.00 N ATOM 950 CA CYS A 62 3.202 4.266 21.621 1.00 25.00 C ATOM 951 C CYS A 62 3.258 3.936 23.113 1.00 25.00 C ATOM 952 O CYS A 62 3.420 2.782 23.508 1.00 25.00 O ATOM 953 CB CYS A 62 1.738 4.293 21.169 1.00 25.00 C ATOM 954 SG CYS A 62 1.493 4.894 19.467 1.00 25.00 S ATOM 0 H CYS A 62 3.443 2.778 20.142 1.00 25.00 H new ATOM 0 HA CYS A 62 3.650 5.247 21.463 1.00 25.00 H new ATOM 0 HB2 CYS A 62 1.326 3.287 21.250 1.00 25.00 H new ATOM 0 HB3 CYS A 62 1.170 4.926 21.851 1.00 25.00 H new ATOM 959 N ALA A 63 3.133 4.963 23.943 1.00 25.00 N ATOM 960 CA ALA A 63 3.227 4.798 25.392 1.00 25.00 C ATOM 961 C ALA A 63 1.884 4.404 26.022 1.00 25.00 C ATOM 962 O ALA A 63 1.793 4.215 27.233 1.00 25.00 O ATOM 963 CB ALA A 63 3.758 6.090 26.023 1.00 25.00 C ATOM 0 H ALA A 63 2.966 5.922 23.639 1.00 25.00 H new ATOM 0 HA ALA A 63 3.920 3.981 25.590 1.00 25.00 H new ATOM 0 HB1 ALA A 63 3.827 5.965 27.104 1.00 25.00 H new ATOM 0 HB2 ALA A 63 4.746 6.313 25.619 1.00 25.00 H new ATOM 0 HB3 ALA A 63 3.079 6.912 25.796 1.00 25.00 H new ATOM 969 N THR A 64 0.857 4.279 25.196 1.00 25.00 N ATOM 970 CA THR A 64 -0.475 3.918 25.654 1.00 25.00 C ATOM 971 C THR A 64 -1.081 3.080 24.517 1.00 25.00 C ATOM 972 O THR A 64 -0.691 3.245 23.356 1.00 25.00 O ATOM 973 CB THR A 64 -1.317 5.206 25.970 1.00 25.00 C ATOM 974 OG1 THR A 64 -2.437 4.887 26.796 1.00 25.00 O ATOM 975 CG2 THR A 64 -1.847 5.853 24.723 1.00 25.00 C ATOM 0 H THR A 64 0.924 4.425 24.189 1.00 25.00 H new ATOM 0 HA THR A 64 -0.460 3.349 26.583 1.00 25.00 H new ATOM 0 HB THR A 64 -0.642 5.894 26.479 1.00 25.00 H new ATOM 0 HG1 THR A 64 -2.948 5.702 26.983 1.00 25.00 H new ATOM 0 HG21 THR A 64 -2.423 6.739 24.989 1.00 25.00 H new ATOM 0 HG22 THR A 64 -1.015 6.140 24.080 1.00 25.00 H new ATOM 0 HG23 THR A 64 -2.489 5.149 24.193 1.00 25.00 H new ATOM 983 N PRO A 65 -1.997 2.147 24.829 1.00 25.00 N ATOM 984 CA PRO A 65 -2.615 1.331 23.778 1.00 25.00 C ATOM 985 C PRO A 65 -3.673 2.092 22.981 1.00 25.00 C ATOM 986 O PRO A 65 -4.180 3.128 23.419 1.00 25.00 O ATOM 987 CB PRO A 65 -3.262 0.197 24.574 1.00 25.00 C ATOM 988 CG PRO A 65 -3.655 0.843 25.850 1.00 25.00 C ATOM 989 CD PRO A 65 -2.517 1.788 26.159 1.00 25.00 C ATOM 0 HA PRO A 65 -1.891 1.005 23.032 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -4.125 -0.217 24.052 1.00 25.00 H new ATOM 0 HB3 PRO A 65 -2.565 -0.625 24.739 1.00 25.00 H new ATOM 0 HG2 PRO A 65 -4.600 1.378 25.750 1.00 25.00 H new ATOM 0 HG3 PRO A 65 -3.787 0.108 26.643 1.00 25.00 H new ATOM 0 HD2 PRO A 65 -2.862 2.666 26.706 1.00 25.00 H new ATOM 0 HD3 PRO A 65 -1.754 1.310 26.773 1.00 25.00 H new ATOM 997 N ALA A 66 -4.022 1.553 21.822 1.00 25.00 N ATOM 998 CA ALA A 66 -5.057 2.137 20.978 1.00 25.00 C ATOM 999 C ALA A 66 -6.424 2.019 21.661 1.00 25.00 C ATOM 1000 O ALA A 66 -6.699 1.043 22.368 1.00 25.00 O ATOM 1001 CB ALA A 66 -5.088 1.416 19.630 1.00 25.00 C ATOM 0 H ALA A 66 -3.601 0.706 21.441 1.00 25.00 H new ATOM 0 HA ALA A 66 -4.832 3.192 20.819 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -5.863 1.854 19.001 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -4.120 1.520 19.140 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -5.303 0.359 19.788 1.00 25.00 H new ATOM 1007 N LYS A 67 -7.299 2.982 21.403 1.00 25.00 N ATOM 1008 CA LYS A 67 -8.658 2.934 21.938 1.00 25.00 C ATOM 1009 C LYS A 67 -9.511 1.997 21.085 1.00 25.00 C ATOM 1010 O LYS A 67 -10.018 2.382 20.032 1.00 25.00 O ATOM 1011 CB LYS A 67 -9.280 4.334 21.982 1.00 25.00 C ATOM 1012 CG LYS A 67 -10.615 4.361 22.718 1.00 25.00 C ATOM 1013 CD LYS A 67 -11.233 5.753 22.719 1.00 25.00 C ATOM 1014 CE LYS A 67 -12.480 5.806 23.609 1.00 25.00 C ATOM 1015 NZ LYS A 67 -13.563 4.878 23.143 1.00 25.00 N ATOM 0 H LYS A 67 -7.096 3.802 20.831 1.00 25.00 H new ATOM 0 HA LYS A 67 -8.619 2.555 22.959 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -8.587 5.020 22.469 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -9.424 4.696 20.964 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -11.303 3.658 22.248 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -10.470 4.027 23.745 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -10.500 6.479 23.072 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -11.498 6.037 21.700 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -12.203 5.550 24.632 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -12.864 6.826 23.629 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -14.477 5.190 23.529 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -13.604 4.887 22.104 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -13.359 3.913 23.473 1.00 25.00 H new ATOM 1029 N SER A 68 -9.651 0.767 21.549 1.00 25.00 N ATOM 1030 CA SER A 68 -10.474 -0.239 20.875 1.00 25.00 C ATOM 1031 C SER A 68 -11.953 -0.020 21.209 1.00 25.00 C ATOM 1032 O SER A 68 -12.531 -0.762 21.997 1.00 25.00 O ATOM 1033 CB SER A 68 -10.038 -1.639 21.306 1.00 25.00 C ATOM 1034 OG SER A 68 -8.670 -1.848 20.988 1.00 25.00 O ATOM 0 H SER A 68 -9.201 0.432 22.401 1.00 25.00 H new ATOM 0 HA SER A 68 -10.342 -0.143 19.797 1.00 25.00 H new ATOM 0 HB2 SER A 68 -10.192 -1.762 22.378 1.00 25.00 H new ATOM 0 HB3 SER A 68 -10.653 -2.388 20.808 1.00 25.00 H new ATOM 0 HG SER A 68 -8.402 -2.747 21.270 1.00 25.00 H new ATOM 1040 N GLU A 69 -12.514 1.025 20.602 1.00 25.00 N ATOM 1041 CA GLU A 69 -13.894 1.503 20.834 1.00 25.00 C ATOM 1042 C GLU A 69 -14.104 2.013 22.261 1.00 25.00 C ATOM 1043 O GLU A 69 -13.109 2.096 23.012 1.00 25.00 O ATOM 1044 CB GLU A 69 -14.948 0.440 20.476 1.00 25.00 C ATOM 1045 CG GLU A 69 -14.870 -0.037 19.031 1.00 25.00 C ATOM 1046 CD GLU A 69 -15.997 -0.961 18.668 1.00 25.00 C ATOM 1047 OE1 GLU A 69 -17.157 -0.648 18.680 1.00 25.00 O ATOM 1048 OE2 GLU A 69 -15.607 -2.136 18.319 1.00 25.00 O ATOM 1049 OXT GLU A 69 -15.198 2.554 22.520 1.00 25.00 O ATOM 0 H GLU A 69 -12.013 1.586 19.913 1.00 25.00 H new ATOM 0 HA GLU A 69 -14.032 2.348 20.159 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -14.827 -0.417 21.139 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -15.941 0.849 20.661 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -14.884 0.826 18.366 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -13.920 -0.547 18.871 1.00 25.00 H new TER 1056 GLU A 69