USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 582 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 3 THR OG1 : rot -17:sc= 0.5 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 6 THR OG1 : rot -106:sc= 0.129 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00288 USER MOD Single : A 18 SER OG : rot -20:sc= 0.00439 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -121:sc= -0.729 (180deg=-2.26!) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.09) USER MOD Single : A 26 THR OG1 : rot -112:sc= 1.24 USER MOD Single : A 29 THR OG1 : rot -130:sc= 0.0349 USER MOD Single : A 35 LYS NZ :NH3+ 140:sc=-0.00663 (180deg=-0.376) USER MOD Single : A 36 SER OG : rot 180:sc= 1.01 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -163:sc= -2.17 (180deg=-2.34) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.796) USER MOD Single : A 49 GLN : amide:sc=-0.00128 X(o=-0.0013,f=-0.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -65:sc= 0.547 USER MOD Single : A 74 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 0.893 4.098 -3.003 1.00 44.21 N ATOM 29 CA THR A 3 1.261 5.508 -3.019 1.00 10.41 C ATOM 30 C THR A 3 0.768 6.191 -4.289 1.00 55.14 C ATOM 31 O THR A 3 0.538 5.538 -5.308 1.00 2.41 O ATOM 32 CB THR A 3 2.786 5.693 -2.910 1.00 64.40 C ATOM 33 OG1 THR A 3 3.458 4.609 -3.561 1.00 65.23 O ATOM 34 CG2 THR A 3 3.220 5.763 -1.454 1.00 4.43 C ATOM 0 HA THR A 3 0.784 5.968 -2.153 1.00 10.41 H new ATOM 0 HB THR A 3 3.052 6.631 -3.397 1.00 64.40 H new ATOM 0 HG1 THR A 3 2.830 3.869 -3.696 1.00 65.23 H new ATOM 0 HG21 THR A 3 4.301 5.894 -1.402 1.00 4.43 H new ATOM 0 HG22 THR A 3 2.729 6.606 -0.968 1.00 4.43 H new ATOM 0 HG23 THR A 3 2.942 4.839 -0.947 1.00 4.43 H new ATOM 42 N PHE A 4 0.606 7.509 -4.223 1.00 65.54 N ATOM 43 CA PHE A 4 0.140 8.280 -5.369 1.00 54.14 C ATOM 44 C PHE A 4 0.767 9.671 -5.380 1.00 52.15 C ATOM 45 O PHE A 4 0.576 10.456 -4.452 1.00 55.13 O ATOM 46 CB PHE A 4 -1.386 8.396 -5.346 1.00 2.35 C ATOM 47 CG PHE A 4 -1.965 8.945 -6.618 1.00 72.21 C ATOM 48 CD1 PHE A 4 -1.843 10.290 -6.927 1.00 50.00 C ATOM 49 CD2 PHE A 4 -2.631 8.115 -7.506 1.00 14.34 C ATOM 50 CE1 PHE A 4 -2.376 10.797 -8.097 1.00 1.31 C ATOM 51 CE2 PHE A 4 -3.166 8.617 -8.677 1.00 71.14 C ATOM 52 CZ PHE A 4 -3.037 9.960 -8.974 1.00 32.42 C ATOM 0 H PHE A 4 0.791 8.065 -3.388 1.00 65.54 H new ATOM 0 HA PHE A 4 0.444 7.757 -6.275 1.00 54.14 H new ATOM 0 HB2 PHE A 4 -1.814 7.412 -5.156 1.00 2.35 H new ATOM 0 HB3 PHE A 4 -1.681 9.037 -4.515 1.00 2.35 H new ATOM 0 HD1 PHE A 4 -1.326 10.950 -6.246 1.00 50.00 H new ATOM 0 HD2 PHE A 4 -2.733 7.064 -7.280 1.00 14.34 H new ATOM 0 HE1 PHE A 4 -2.276 11.848 -8.325 1.00 1.31 H new ATOM 0 HE2 PHE A 4 -3.685 7.960 -9.359 1.00 71.14 H new ATOM 0 HZ PHE A 4 -3.452 10.354 -9.890 1.00 32.42 H new ATOM 62 N GLN A 5 1.516 9.967 -6.437 1.00 44.23 N ATOM 63 CA GLN A 5 2.173 11.263 -6.569 1.00 31.52 C ATOM 64 C GLN A 5 1.782 11.941 -7.878 1.00 34.25 C ATOM 65 O GLN A 5 1.710 11.298 -8.926 1.00 4.22 O ATOM 66 CB GLN A 5 3.692 11.097 -6.500 1.00 40.34 C ATOM 67 CG GLN A 5 4.457 12.383 -6.770 1.00 14.35 C ATOM 68 CD GLN A 5 5.189 12.360 -8.097 1.00 13.32 C ATOM 69 OE1 GLN A 5 4.678 11.844 -9.092 1.00 2.44 O ATOM 70 NE2 GLN A 5 6.392 12.921 -8.119 1.00 62.13 N ATOM 0 H GLN A 5 1.683 9.328 -7.214 1.00 44.23 H new ATOM 0 HA GLN A 5 1.846 11.894 -5.743 1.00 31.52 H new ATOM 0 HB2 GLN A 5 3.964 10.723 -5.513 1.00 40.34 H new ATOM 0 HB3 GLN A 5 4.000 10.342 -7.223 1.00 40.34 H new ATOM 0 HG2 GLN A 5 3.763 13.223 -6.757 1.00 14.35 H new ATOM 0 HG3 GLN A 5 5.175 12.550 -5.967 1.00 14.35 H new ATOM 0 HE21 GLN A 5 6.776 13.337 -7.271 1.00 62.13 H new ATOM 0 HE22 GLN A 5 6.932 12.936 -8.984 1.00 62.13 H new ATOM 79 N THR A 6 1.528 13.244 -7.810 1.00 41.14 N ATOM 80 CA THR A 6 1.142 14.010 -8.989 1.00 65.51 C ATOM 81 C THR A 6 1.586 15.463 -8.870 1.00 52.11 C ATOM 82 O THR A 6 1.358 16.110 -7.847 1.00 64.34 O ATOM 83 CB THR A 6 -0.381 13.966 -9.214 1.00 22.04 C ATOM 84 OG1 THR A 6 -0.715 14.636 -10.434 1.00 74.22 O ATOM 85 CG2 THR A 6 -1.118 14.618 -8.053 1.00 64.42 C ATOM 0 H THR A 6 1.583 13.791 -6.951 1.00 41.14 H new ATOM 0 HA THR A 6 1.641 13.550 -9.842 1.00 65.51 H new ATOM 0 HB THR A 6 -0.687 12.922 -9.278 1.00 22.04 H new ATOM 0 HG1 THR A 6 -1.120 15.505 -10.230 1.00 74.22 H new ATOM 0 HG21 THR A 6 -2.192 14.575 -8.234 1.00 64.42 H new ATOM 0 HG22 THR A 6 -0.884 14.088 -7.130 1.00 64.42 H new ATOM 0 HG23 THR A 6 -0.806 15.659 -7.963 1.00 64.42 H new ATOM 93 N ASP A 7 2.219 15.972 -9.922 1.00 33.44 N ATOM 94 CA ASP A 7 2.693 17.351 -9.935 1.00 74.34 C ATOM 95 C ASP A 7 1.767 18.235 -10.765 1.00 14.24 C ATOM 96 O ASP A 7 2.208 19.200 -11.389 1.00 30.35 O ATOM 97 CB ASP A 7 4.116 17.418 -10.492 1.00 33.12 C ATOM 98 CG ASP A 7 4.243 16.735 -11.840 1.00 2.45 C ATOM 99 OD1 ASP A 7 3.859 17.352 -12.855 1.00 71.10 O ATOM 100 OD2 ASP A 7 4.726 15.584 -11.879 1.00 4.23 O ATOM 0 H ASP A 7 2.415 15.450 -10.776 1.00 33.44 H new ATOM 0 HA ASP A 7 2.695 17.719 -8.909 1.00 74.34 H new ATOM 0 HB2 ASP A 7 4.417 18.461 -10.587 1.00 33.12 H new ATOM 0 HB3 ASP A 7 4.802 16.951 -9.785 1.00 33.12 H new ATOM 105 N ALA A 8 0.481 17.899 -10.767 1.00 31.21 N ATOM 106 CA ALA A 8 -0.507 18.663 -11.518 1.00 72.34 C ATOM 107 C ALA A 8 -1.916 18.403 -10.995 1.00 3.31 C ATOM 108 O ALA A 8 -2.142 17.460 -10.236 1.00 54.53 O ATOM 109 CB ALA A 8 -0.422 18.324 -12.999 1.00 64.32 C ATOM 0 H ALA A 8 0.099 17.103 -10.257 1.00 31.21 H new ATOM 0 HA ALA A 8 -0.288 19.722 -11.385 1.00 72.34 H new ATOM 0 HB1 ALA A 8 -1.166 18.902 -13.548 1.00 64.32 H new ATOM 0 HB2 ALA A 8 0.573 18.567 -13.371 1.00 64.32 H new ATOM 0 HB3 ALA A 8 -0.613 17.260 -13.140 1.00 64.32 H new ATOM 115 N ASP A 9 -2.858 19.245 -11.404 1.00 11.42 N ATOM 116 CA ASP A 9 -4.245 19.107 -10.976 1.00 74.20 C ATOM 117 C ASP A 9 -4.752 17.690 -11.226 1.00 20.34 C ATOM 118 O ASP A 9 -4.229 16.973 -12.079 1.00 44.54 O ATOM 119 CB ASP A 9 -5.131 20.115 -11.710 1.00 60.00 C ATOM 120 CG ASP A 9 -4.536 21.509 -11.719 1.00 50.30 C ATOM 121 OD1 ASP A 9 -3.720 21.813 -10.823 1.00 35.32 O ATOM 122 OD2 ASP A 9 -4.885 22.297 -12.623 1.00 12.13 O ATOM 0 H ASP A 9 -2.687 20.031 -12.032 1.00 11.42 H new ATOM 0 HA ASP A 9 -4.290 19.307 -9.905 1.00 74.20 H new ATOM 0 HB2 ASP A 9 -5.283 19.781 -12.736 1.00 60.00 H new ATOM 0 HB3 ASP A 9 -6.112 20.145 -11.236 1.00 60.00 H new ATOM 127 N PHE A 10 -5.773 17.291 -10.474 1.00 61.22 N ATOM 128 CA PHE A 10 -6.349 15.958 -10.612 1.00 51.43 C ATOM 129 C PHE A 10 -7.829 15.965 -10.241 1.00 31.43 C ATOM 130 O PHE A 10 -8.303 16.866 -9.548 1.00 33.01 O ATOM 131 CB PHE A 10 -5.595 14.960 -9.732 1.00 21.30 C ATOM 132 CG PHE A 10 -5.369 15.448 -8.330 1.00 2.13 C ATOM 133 CD1 PHE A 10 -6.344 15.285 -7.359 1.00 72.24 C ATOM 134 CD2 PHE A 10 -4.181 16.071 -7.982 1.00 40.11 C ATOM 135 CE1 PHE A 10 -6.139 15.733 -6.068 1.00 33.31 C ATOM 136 CE2 PHE A 10 -3.970 16.521 -6.692 1.00 72.43 C ATOM 137 CZ PHE A 10 -4.951 16.352 -5.734 1.00 40.43 C ATOM 0 H PHE A 10 -6.218 17.871 -9.763 1.00 61.22 H new ATOM 0 HA PHE A 10 -6.255 15.654 -11.655 1.00 51.43 H new ATOM 0 HB2 PHE A 10 -6.153 14.025 -9.697 1.00 21.30 H new ATOM 0 HB3 PHE A 10 -4.631 14.739 -10.191 1.00 21.30 H new ATOM 0 HD1 PHE A 10 -7.276 14.802 -7.614 1.00 72.24 H new ATOM 0 HD2 PHE A 10 -3.411 16.207 -8.727 1.00 40.11 H new ATOM 0 HE1 PHE A 10 -6.907 15.599 -5.321 1.00 33.31 H new ATOM 0 HE2 PHE A 10 -3.039 17.004 -6.433 1.00 72.43 H new ATOM 0 HZ PHE A 10 -4.789 16.703 -4.726 1.00 40.43 H new ATOM 147 N LEU A 11 -8.554 14.954 -10.707 1.00 21.55 N ATOM 148 CA LEU A 11 -9.981 14.841 -10.424 1.00 42.35 C ATOM 149 C LEU A 11 -10.240 13.808 -9.333 1.00 75.10 C ATOM 150 O LEU A 11 -9.453 12.880 -9.142 1.00 33.03 O ATOM 151 CB LEU A 11 -10.743 14.461 -11.695 1.00 34.13 C ATOM 152 CG LEU A 11 -10.844 15.546 -12.767 1.00 71.25 C ATOM 153 CD1 LEU A 11 -10.858 14.924 -14.155 1.00 55.45 C ATOM 154 CD2 LEU A 11 -12.086 16.398 -12.550 1.00 31.34 C ATOM 0 H LEU A 11 -8.177 14.201 -11.282 1.00 21.55 H new ATOM 0 HA LEU A 11 -10.335 15.810 -10.071 1.00 42.35 H new ATOM 0 HB2 LEU A 11 -10.262 13.587 -12.135 1.00 34.13 H new ATOM 0 HB3 LEU A 11 -11.753 14.162 -11.413 1.00 34.13 H new ATOM 0 HG LEU A 11 -9.968 16.190 -12.688 1.00 71.25 H new ATOM 0 HD11 LEU A 11 -10.930 15.711 -14.906 1.00 55.45 H new ATOM 0 HD12 LEU A 11 -9.939 14.358 -14.310 1.00 55.45 H new ATOM 0 HD13 LEU A 11 -11.715 14.256 -14.246 1.00 55.45 H new ATOM 0 HD21 LEU A 11 -12.141 17.165 -13.323 1.00 31.34 H new ATOM 0 HD22 LEU A 11 -12.973 15.767 -12.601 1.00 31.34 H new ATOM 0 HD23 LEU A 11 -12.035 16.873 -11.570 1.00 31.34 H new ATOM 166 N LEU A 12 -11.350 13.973 -8.621 1.00 42.11 N ATOM 167 CA LEU A 12 -11.715 13.053 -7.550 1.00 14.14 C ATOM 168 C LEU A 12 -13.176 12.630 -7.670 1.00 0.23 C ATOM 169 O LEU A 12 -14.028 13.414 -8.089 1.00 22.10 O ATOM 170 CB LEU A 12 -11.471 13.704 -6.187 1.00 33.42 C ATOM 171 CG LEU A 12 -10.202 13.269 -5.453 1.00 72.41 C ATOM 172 CD1 LEU A 12 -9.046 14.196 -5.791 1.00 44.23 C ATOM 173 CD2 LEU A 12 -10.440 13.235 -3.950 1.00 42.44 C ATOM 0 H LEU A 12 -12.012 14.735 -8.766 1.00 42.11 H new ATOM 0 HA LEU A 12 -11.090 12.164 -7.639 1.00 14.14 H new ATOM 0 HB2 LEU A 12 -11.435 14.785 -6.324 1.00 33.42 H new ATOM 0 HB3 LEU A 12 -12.328 13.492 -5.547 1.00 33.42 H new ATOM 0 HG LEU A 12 -9.942 12.263 -5.782 1.00 72.41 H new ATOM 0 HD11 LEU A 12 -8.152 13.871 -5.260 1.00 44.23 H new ATOM 0 HD12 LEU A 12 -8.860 14.169 -6.865 1.00 44.23 H new ATOM 0 HD13 LEU A 12 -9.296 15.214 -5.491 1.00 44.23 H new ATOM 0 HD21 LEU A 12 -9.526 12.923 -3.444 1.00 42.44 H new ATOM 0 HD22 LEU A 12 -10.726 14.229 -3.604 1.00 42.44 H new ATOM 0 HD23 LEU A 12 -11.239 12.529 -3.724 1.00 42.44 H new ATOM 185 N VAL A 13 -13.459 11.386 -7.297 1.00 11.01 N ATOM 186 CA VAL A 13 -14.817 10.860 -7.359 1.00 72.55 C ATOM 187 C VAL A 13 -15.244 10.278 -6.016 1.00 64.13 C ATOM 188 O VAL A 13 -14.572 9.408 -5.463 1.00 43.40 O ATOM 189 CB VAL A 13 -14.948 9.772 -8.442 1.00 72.03 C ATOM 190 CG1 VAL A 13 -16.373 9.243 -8.498 1.00 72.13 C ATOM 191 CG2 VAL A 13 -14.519 10.315 -9.797 1.00 23.02 C ATOM 0 H VAL A 13 -12.766 10.724 -6.949 1.00 11.01 H new ATOM 0 HA VAL A 13 -15.469 11.696 -7.613 1.00 72.55 H new ATOM 0 HB VAL A 13 -14.288 8.944 -8.182 1.00 72.03 H new ATOM 0 HG11 VAL A 13 -16.446 8.476 -9.269 1.00 72.13 H new ATOM 0 HG12 VAL A 13 -16.640 8.814 -7.532 1.00 72.13 H new ATOM 0 HG13 VAL A 13 -17.055 10.060 -8.733 1.00 72.13 H new ATOM 0 HG21 VAL A 13 -14.618 9.533 -10.550 1.00 23.02 H new ATOM 0 HG22 VAL A 13 -15.151 11.161 -10.067 1.00 23.02 H new ATOM 0 HG23 VAL A 13 -13.480 10.640 -9.746 1.00 23.02 H new ATOM 201 N GLY A 14 -16.367 10.764 -5.497 1.00 2.15 N ATOM 202 CA GLY A 14 -16.864 10.281 -4.222 1.00 34.31 C ATOM 203 C GLY A 14 -18.374 10.369 -4.117 1.00 40.45 C ATOM 204 O GLY A 14 -19.090 10.020 -5.056 1.00 45.04 O ATOM 0 H GLY A 14 -16.941 11.483 -5.936 1.00 2.15 H new ATOM 0 HA2 GLY A 14 -16.553 9.246 -4.083 1.00 34.31 H new ATOM 0 HA3 GLY A 14 -16.413 10.860 -3.417 1.00 34.31 H new ATOM 208 N ASP A 15 -18.860 10.836 -2.973 1.00 3.34 N ATOM 209 CA ASP A 15 -20.295 10.969 -2.748 1.00 45.34 C ATOM 210 C ASP A 15 -20.685 12.435 -2.583 1.00 32.41 C ATOM 211 O ASP A 15 -21.715 12.749 -1.987 1.00 14.21 O ATOM 212 CB ASP A 15 -20.715 10.174 -1.512 1.00 21.34 C ATOM 213 CG ASP A 15 -22.205 9.896 -1.481 1.00 11.34 C ATOM 214 OD1 ASP A 15 -22.695 9.183 -2.382 1.00 11.43 O ATOM 215 OD2 ASP A 15 -22.881 10.391 -0.555 1.00 11.21 O ATOM 0 H ASP A 15 -18.281 11.129 -2.186 1.00 3.34 H new ATOM 0 HA ASP A 15 -20.813 10.570 -3.620 1.00 45.34 H new ATOM 0 HB2 ASP A 15 -20.172 9.229 -1.489 1.00 21.34 H new ATOM 0 HB3 ASP A 15 -20.433 10.726 -0.615 1.00 21.34 H new ATOM 220 N ASP A 16 -19.855 13.326 -3.113 1.00 54.12 N ATOM 221 CA ASP A 16 -20.114 14.759 -3.024 1.00 63.45 C ATOM 222 C ASP A 16 -20.226 15.201 -1.569 1.00 13.40 C ATOM 223 O ASP A 16 -21.235 15.778 -1.160 1.00 22.54 O ATOM 224 CB ASP A 16 -21.395 15.115 -3.780 1.00 12.15 C ATOM 225 CG ASP A 16 -21.215 15.061 -5.284 1.00 2.22 C ATOM 226 OD1 ASP A 16 -20.063 14.898 -5.737 1.00 70.14 O ATOM 227 OD2 ASP A 16 -22.225 15.183 -6.008 1.00 14.13 O ATOM 0 H ASP A 16 -18.997 13.082 -3.609 1.00 54.12 H new ATOM 0 HA ASP A 16 -19.275 15.285 -3.480 1.00 63.45 H new ATOM 0 HB2 ASP A 16 -22.189 14.428 -3.487 1.00 12.15 H new ATOM 0 HB3 ASP A 16 -21.717 16.116 -3.491 1.00 12.15 H new ATOM 232 N THR A 17 -19.184 14.927 -0.790 1.00 13.40 N ATOM 233 CA THR A 17 -19.167 15.295 0.620 1.00 3.02 C ATOM 234 C THR A 17 -18.925 16.790 0.796 1.00 62.22 C ATOM 235 O THR A 17 -18.126 17.388 0.075 1.00 74.03 O ATOM 236 CB THR A 17 -18.083 14.517 1.390 1.00 2.20 C ATOM 237 OG1 THR A 17 -16.843 14.568 0.676 1.00 43.31 O ATOM 238 CG2 THR A 17 -18.498 13.068 1.593 1.00 62.34 C ATOM 0 H THR A 17 -18.341 14.451 -1.112 1.00 13.40 H new ATOM 0 HA THR A 17 -20.146 15.038 1.025 1.00 3.02 H new ATOM 0 HB THR A 17 -17.958 14.983 2.368 1.00 2.20 H new ATOM 0 HG1 THR A 17 -16.159 14.073 1.173 1.00 43.31 H new ATOM 0 HG21 THR A 17 -17.717 12.539 2.139 1.00 62.34 H new ATOM 0 HG22 THR A 17 -19.427 13.032 2.162 1.00 62.34 H new ATOM 0 HG23 THR A 17 -18.648 12.593 0.623 1.00 62.34 H new ATOM 246 N SER A 18 -19.619 17.388 1.759 1.00 63.21 N ATOM 247 CA SER A 18 -19.481 18.815 2.027 1.00 31.51 C ATOM 248 C SER A 18 -18.087 19.136 2.558 1.00 33.51 C ATOM 249 O SER A 18 -17.659 20.290 2.551 1.00 32.25 O ATOM 250 CB SER A 18 -20.540 19.270 3.033 1.00 41.30 C ATOM 251 OG SER A 18 -20.353 20.629 3.390 1.00 62.10 O ATOM 0 H SER A 18 -20.282 16.907 2.366 1.00 63.21 H new ATOM 0 HA SER A 18 -19.626 19.352 1.089 1.00 31.51 H new ATOM 0 HB2 SER A 18 -21.534 19.136 2.605 1.00 41.30 H new ATOM 0 HB3 SER A 18 -20.490 18.646 3.925 1.00 41.30 H new ATOM 0 HG SER A 18 -19.433 20.897 3.186 1.00 62.10 H new ATOM 257 N ARG A 19 -17.384 18.105 3.018 1.00 54.54 N ATOM 258 CA ARG A 19 -16.039 18.277 3.554 1.00 74.33 C ATOM 259 C ARG A 19 -14.991 18.083 2.463 1.00 45.04 C ATOM 260 O ARG A 19 -13.804 17.924 2.749 1.00 22.24 O ATOM 261 CB ARG A 19 -15.793 17.288 4.695 1.00 45.13 C ATOM 262 CG ARG A 19 -16.478 17.675 5.995 1.00 73.22 C ATOM 263 CD ARG A 19 -16.450 16.534 7.000 1.00 1.43 C ATOM 264 NE ARG A 19 -17.238 16.836 8.192 1.00 21.04 N ATOM 265 CZ ARG A 19 -17.300 16.039 9.253 1.00 2.14 C ATOM 266 NH1 ARG A 19 -16.624 14.899 9.271 1.00 64.25 N ATOM 267 NH2 ARG A 19 -18.039 16.383 10.300 1.00 31.44 N ATOM 0 H ARG A 19 -17.724 17.143 3.030 1.00 54.54 H new ATOM 0 HA ARG A 19 -15.954 19.293 3.938 1.00 74.33 H new ATOM 0 HB2 ARG A 19 -16.141 16.301 4.390 1.00 45.13 H new ATOM 0 HB3 ARG A 19 -14.720 17.207 4.870 1.00 45.13 H new ATOM 0 HG2 ARG A 19 -15.985 18.549 6.421 1.00 73.22 H new ATOM 0 HG3 ARG A 19 -17.511 17.958 5.793 1.00 73.22 H new ATOM 0 HD2 ARG A 19 -16.834 15.628 6.531 1.00 1.43 H new ATOM 0 HD3 ARG A 19 -15.419 16.330 7.289 1.00 1.43 H new ATOM 0 HE ARG A 19 -17.770 17.706 8.211 1.00 21.04 H new ATOM 0 HH11 ARG A 19 -16.054 14.631 8.469 1.00 64.25 H new ATOM 0 HH12 ARG A 19 -16.674 14.289 10.087 1.00 64.25 H new ATOM 0 HH21 ARG A 19 -18.560 17.260 10.291 1.00 31.44 H new ATOM 0 HH22 ARG A 19 -18.086 15.771 11.114 1.00 31.44 H new ATOM 281 N TYR A 20 -15.436 18.097 1.211 1.00 15.25 N ATOM 282 CA TYR A 20 -14.537 17.920 0.077 1.00 13.24 C ATOM 283 C TYR A 20 -13.439 18.979 0.083 1.00 62.13 C ATOM 284 O TYR A 20 -12.279 18.686 -0.204 1.00 63.14 O ATOM 285 CB TYR A 20 -15.319 17.987 -1.236 1.00 11.04 C ATOM 286 CG TYR A 20 -15.756 19.385 -1.610 1.00 4.42 C ATOM 287 CD1 TYR A 20 -16.784 20.021 -0.924 1.00 64.43 C ATOM 288 CD2 TYR A 20 -15.139 20.072 -2.649 1.00 31.12 C ATOM 289 CE1 TYR A 20 -17.186 21.298 -1.263 1.00 71.25 C ATOM 290 CE2 TYR A 20 -15.534 21.350 -2.994 1.00 60.00 C ATOM 291 CZ TYR A 20 -16.558 21.958 -2.299 1.00 12.42 C ATOM 292 OH TYR A 20 -16.955 23.231 -2.639 1.00 12.32 O ATOM 0 H TYR A 20 -16.415 18.229 0.956 1.00 15.25 H new ATOM 0 HA TYR A 20 -14.071 16.939 0.164 1.00 13.24 H new ATOM 0 HB2 TYR A 20 -14.702 17.582 -2.038 1.00 11.04 H new ATOM 0 HB3 TYR A 20 -16.199 17.349 -1.158 1.00 11.04 H new ATOM 0 HD1 TYR A 20 -17.277 19.508 -0.112 1.00 64.43 H new ATOM 0 HD2 TYR A 20 -14.337 19.599 -3.196 1.00 31.12 H new ATOM 0 HE1 TYR A 20 -17.987 21.777 -0.720 1.00 71.25 H new ATOM 0 HE2 TYR A 20 -15.043 21.870 -3.804 1.00 60.00 H new ATOM 0 HH TYR A 20 -16.412 23.554 -3.388 1.00 12.32 H new ATOM 302 N GLU A 21 -13.815 20.211 0.412 1.00 23.32 N ATOM 303 CA GLU A 21 -12.862 21.314 0.455 1.00 21.30 C ATOM 304 C GLU A 21 -11.931 21.182 1.657 1.00 12.42 C ATOM 305 O GLU A 21 -10.732 21.437 1.556 1.00 24.15 O ATOM 306 CB GLU A 21 -13.600 22.653 0.512 1.00 72.24 C ATOM 307 CG GLU A 21 -14.525 22.788 1.710 1.00 71.35 C ATOM 308 CD GLU A 21 -15.329 24.074 1.684 1.00 25.53 C ATOM 309 OE1 GLU A 21 -16.428 24.076 1.092 1.00 23.50 O ATOM 310 OE2 GLU A 21 -14.857 25.078 2.258 1.00 53.03 O ATOM 0 H GLU A 21 -14.772 20.470 0.652 1.00 23.32 H new ATOM 0 HA GLU A 21 -12.261 21.277 -0.454 1.00 21.30 H new ATOM 0 HB2 GLU A 21 -12.868 23.461 0.536 1.00 72.24 H new ATOM 0 HB3 GLU A 21 -14.182 22.777 -0.401 1.00 72.24 H new ATOM 0 HG2 GLU A 21 -15.207 21.938 1.736 1.00 71.35 H new ATOM 0 HG3 GLU A 21 -13.935 22.751 2.626 1.00 71.35 H new ATOM 317 N GLU A 22 -12.494 20.784 2.794 1.00 75.15 N ATOM 318 CA GLU A 22 -11.715 20.620 4.015 1.00 14.32 C ATOM 319 C GLU A 22 -10.692 19.499 3.862 1.00 70.32 C ATOM 320 O GLU A 22 -9.519 19.663 4.199 1.00 74.40 O ATOM 321 CB GLU A 22 -12.638 20.325 5.199 1.00 33.04 C ATOM 322 CG GLU A 22 -11.901 20.151 6.517 1.00 74.53 C ATOM 323 CD GLU A 22 -12.714 19.385 7.543 1.00 61.43 C ATOM 324 OE1 GLU A 22 -13.526 20.017 8.250 1.00 43.12 O ATOM 325 OE2 GLU A 22 -12.538 18.152 7.638 1.00 65.21 O ATOM 0 H GLU A 22 -13.486 20.569 2.894 1.00 75.15 H new ATOM 0 HA GLU A 22 -11.181 21.552 4.203 1.00 14.32 H new ATOM 0 HB2 GLU A 22 -13.357 21.138 5.299 1.00 33.04 H new ATOM 0 HB3 GLU A 22 -13.207 19.420 4.988 1.00 33.04 H new ATOM 0 HG2 GLU A 22 -10.962 19.627 6.338 1.00 74.53 H new ATOM 0 HG3 GLU A 22 -11.647 21.132 6.919 1.00 74.53 H new ATOM 332 N VAL A 23 -11.145 18.358 3.351 1.00 41.21 N ATOM 333 CA VAL A 23 -10.270 17.209 3.152 1.00 60.11 C ATOM 334 C VAL A 23 -9.096 17.562 2.246 1.00 41.50 C ATOM 335 O VAL A 23 -7.958 17.173 2.507 1.00 11.03 O ATOM 336 CB VAL A 23 -11.035 16.020 2.541 1.00 34.14 C ATOM 337 CG1 VAL A 23 -10.097 14.847 2.303 1.00 33.50 C ATOM 338 CG2 VAL A 23 -12.193 15.614 3.441 1.00 61.50 C ATOM 0 H VAL A 23 -12.113 18.205 3.067 1.00 41.21 H new ATOM 0 HA VAL A 23 -9.894 16.924 4.135 1.00 60.11 H new ATOM 0 HB VAL A 23 -11.443 16.328 1.578 1.00 34.14 H new ATOM 0 HG11 VAL A 23 -10.655 14.016 1.871 1.00 33.50 H new ATOM 0 HG12 VAL A 23 -9.305 15.148 1.617 1.00 33.50 H new ATOM 0 HG13 VAL A 23 -9.657 14.535 3.250 1.00 33.50 H new ATOM 0 HG21 VAL A 23 -12.723 14.773 2.995 1.00 61.50 H new ATOM 0 HG22 VAL A 23 -11.809 15.324 4.419 1.00 61.50 H new ATOM 0 HG23 VAL A 23 -12.877 16.455 3.555 1.00 61.50 H new ATOM 348 N MET A 24 -9.380 18.303 1.180 1.00 13.50 N ATOM 349 CA MET A 24 -8.347 18.711 0.236 1.00 43.45 C ATOM 350 C MET A 24 -7.467 19.806 0.832 1.00 62.44 C ATOM 351 O MET A 24 -6.255 19.828 0.617 1.00 23.31 O ATOM 352 CB MET A 24 -8.981 19.204 -1.067 1.00 33.24 C ATOM 353 CG MET A 24 -9.165 18.109 -2.105 1.00 34.11 C ATOM 354 SD MET A 24 -7.599 17.498 -2.755 1.00 64.20 S ATOM 355 CE MET A 24 -7.404 15.990 -1.808 1.00 1.24 C ATOM 0 H MET A 24 -10.317 18.633 0.949 1.00 13.50 H new ATOM 0 HA MET A 24 -7.723 17.843 0.022 1.00 43.45 H new ATOM 0 HB2 MET A 24 -9.951 19.649 -0.844 1.00 33.24 H new ATOM 0 HB3 MET A 24 -8.358 19.993 -1.489 1.00 33.24 H new ATOM 0 HG2 MET A 24 -9.717 17.281 -1.660 1.00 34.11 H new ATOM 0 HG3 MET A 24 -9.771 18.491 -2.927 1.00 34.11 H new ATOM 0 HE1 MET A 24 -6.474 16.034 -1.241 1.00 1.24 H new ATOM 0 HE2 MET A 24 -8.243 15.881 -1.121 1.00 1.24 H new ATOM 0 HE3 MET A 24 -7.376 15.136 -2.485 1.00 1.24 H new ATOM 365 N LYS A 25 -8.084 20.713 1.581 1.00 74.32 N ATOM 366 CA LYS A 25 -7.358 21.810 2.209 1.00 31.21 C ATOM 367 C LYS A 25 -6.234 21.281 3.095 1.00 52.52 C ATOM 368 O LYS A 25 -5.217 21.947 3.289 1.00 44.53 O ATOM 369 CB LYS A 25 -8.313 22.672 3.038 1.00 4.11 C ATOM 370 CG LYS A 25 -8.595 24.032 2.422 1.00 25.42 C ATOM 371 CD LYS A 25 -9.284 23.901 1.074 1.00 3.13 C ATOM 372 CE LYS A 25 -9.174 25.184 0.265 1.00 4.55 C ATOM 373 NZ LYS A 25 -7.802 25.381 -0.279 1.00 63.35 N ATOM 0 H LYS A 25 -9.087 20.710 1.768 1.00 74.32 H new ATOM 0 HA LYS A 25 -6.919 22.421 1.421 1.00 31.21 H new ATOM 0 HB2 LYS A 25 -9.254 22.138 3.165 1.00 4.11 H new ATOM 0 HB3 LYS A 25 -7.891 22.814 4.033 1.00 4.11 H new ATOM 0 HG2 LYS A 25 -9.222 24.615 3.097 1.00 25.42 H new ATOM 0 HG3 LYS A 25 -7.660 24.579 2.302 1.00 25.42 H new ATOM 0 HD2 LYS A 25 -8.839 23.078 0.515 1.00 3.13 H new ATOM 0 HD3 LYS A 25 -10.335 23.653 1.224 1.00 3.13 H new ATOM 0 HE2 LYS A 25 -9.890 25.158 -0.556 1.00 4.55 H new ATOM 0 HE3 LYS A 25 -9.441 26.034 0.894 1.00 4.55 H new ATOM 0 HZ1 LYS A 25 -7.821 26.123 -1.008 1.00 63.35 H new ATOM 0 HZ2 LYS A 25 -7.162 25.666 0.489 1.00 63.35 H new ATOM 0 HZ3 LYS A 25 -7.464 24.492 -0.699 1.00 63.35 H new ATOM 387 N THR A 26 -6.424 20.079 3.630 1.00 2.30 N ATOM 388 CA THR A 26 -5.426 19.462 4.495 1.00 73.34 C ATOM 389 C THR A 26 -4.072 19.379 3.800 1.00 2.51 C ATOM 390 O THR A 26 -3.031 19.312 4.454 1.00 62.32 O ATOM 391 CB THR A 26 -5.856 18.047 4.926 1.00 22.23 C ATOM 392 OG1 THR A 26 -5.743 17.142 3.822 1.00 53.31 O ATOM 393 CG2 THR A 26 -7.287 18.050 5.442 1.00 22.54 C ATOM 0 H THR A 26 -7.260 19.514 3.480 1.00 2.30 H new ATOM 0 HA THR A 26 -5.339 20.094 5.379 1.00 73.34 H new ATOM 0 HB THR A 26 -5.197 17.721 5.731 1.00 22.23 H new ATOM 0 HG1 THR A 26 -6.637 16.858 3.539 1.00 53.31 H new ATOM 0 HG21 THR A 26 -7.568 17.040 5.740 1.00 22.54 H new ATOM 0 HG22 THR A 26 -7.363 18.717 6.301 1.00 22.54 H new ATOM 0 HG23 THR A 26 -7.957 18.396 4.655 1.00 22.54 H new ATOM 401 N PHE A 27 -4.092 19.387 2.471 1.00 31.43 N ATOM 402 CA PHE A 27 -2.865 19.312 1.688 1.00 45.53 C ATOM 403 C PHE A 27 -2.487 20.685 1.137 1.00 73.42 C ATOM 404 O PHE A 27 -3.200 21.250 0.307 1.00 62.52 O ATOM 405 CB PHE A 27 -3.028 18.316 0.538 1.00 44.10 C ATOM 406 CG PHE A 27 -2.300 17.021 0.759 1.00 20.04 C ATOM 407 CD1 PHE A 27 -0.988 16.868 0.340 1.00 33.42 C ATOM 408 CD2 PHE A 27 -2.927 15.957 1.387 1.00 14.12 C ATOM 409 CE1 PHE A 27 -0.317 15.677 0.542 1.00 22.40 C ATOM 410 CE2 PHE A 27 -2.261 14.764 1.592 1.00 21.32 C ATOM 411 CZ PHE A 27 -0.953 14.624 1.170 1.00 74.21 C ATOM 0 H PHE A 27 -4.945 19.445 1.914 1.00 31.43 H new ATOM 0 HA PHE A 27 -2.065 18.970 2.345 1.00 45.53 H new ATOM 0 HB2 PHE A 27 -4.088 18.108 0.396 1.00 44.10 H new ATOM 0 HB3 PHE A 27 -2.667 18.774 -0.383 1.00 44.10 H new ATOM 0 HD1 PHE A 27 -0.484 17.688 -0.150 1.00 33.42 H new ATOM 0 HD2 PHE A 27 -3.949 16.061 1.720 1.00 14.12 H new ATOM 0 HE1 PHE A 27 0.705 15.570 0.209 1.00 22.40 H new ATOM 0 HE2 PHE A 27 -2.762 13.942 2.081 1.00 21.32 H new ATOM 0 HZ PHE A 27 -0.429 13.693 1.331 1.00 74.21 H new ATOM 421 N ASP A 28 -1.363 21.215 1.605 1.00 22.42 N ATOM 422 CA ASP A 28 -0.889 22.520 1.160 1.00 15.11 C ATOM 423 C ASP A 28 -0.795 22.574 -0.362 1.00 2.05 C ATOM 424 O ASP A 28 -0.910 23.642 -0.965 1.00 23.43 O ATOM 425 CB ASP A 28 0.474 22.830 1.780 1.00 41.44 C ATOM 426 CG ASP A 28 0.774 24.316 1.805 1.00 51.21 C ATOM 427 OD1 ASP A 28 -0.159 25.105 2.063 1.00 20.12 O ATOM 428 OD2 ASP A 28 1.941 24.691 1.566 1.00 63.53 O ATOM 0 H ASP A 28 -0.762 20.761 2.293 1.00 22.42 H new ATOM 0 HA ASP A 28 -1.607 23.271 1.488 1.00 15.11 H new ATOM 0 HB2 ASP A 28 0.505 22.439 2.797 1.00 41.44 H new ATOM 0 HB3 ASP A 28 1.252 22.315 1.217 1.00 41.44 H new ATOM 433 N THR A 29 -0.583 21.415 -0.978 1.00 15.12 N ATOM 434 CA THR A 29 -0.471 21.330 -2.428 1.00 41.24 C ATOM 435 C THR A 29 -1.735 21.843 -3.109 1.00 2.41 C ATOM 436 O THR A 29 -1.680 22.391 -4.210 1.00 74.33 O ATOM 437 CB THR A 29 -0.205 19.884 -2.888 1.00 14.05 C ATOM 438 OG1 THR A 29 0.605 19.205 -1.922 1.00 61.52 O ATOM 439 CG2 THR A 29 0.487 19.865 -4.242 1.00 31.20 C ATOM 0 H THR A 29 -0.485 20.522 -0.494 1.00 15.12 H new ATOM 0 HA THR A 29 0.373 21.956 -2.716 1.00 41.24 H new ATOM 0 HB THR A 29 -1.163 19.373 -2.982 1.00 14.05 H new ATOM 0 HG1 THR A 29 1.360 18.773 -2.374 1.00 61.52 H new ATOM 0 HG21 THR A 29 0.664 18.833 -4.546 1.00 31.20 H new ATOM 0 HG22 THR A 29 -0.146 20.357 -4.981 1.00 31.20 H new ATOM 0 HG23 THR A 29 1.439 20.391 -4.171 1.00 31.20 H new ATOM 447 N VAL A 30 -2.873 21.664 -2.446 1.00 21.20 N ATOM 448 CA VAL A 30 -4.151 22.111 -2.987 1.00 31.35 C ATOM 449 C VAL A 30 -4.248 23.632 -2.981 1.00 54.11 C ATOM 450 O VAL A 30 -3.918 24.281 -1.989 1.00 72.11 O ATOM 451 CB VAL A 30 -5.333 21.529 -2.188 1.00 24.23 C ATOM 452 CG1 VAL A 30 -6.655 22.035 -2.744 1.00 64.13 C ATOM 453 CG2 VAL A 30 -5.286 20.008 -2.200 1.00 54.44 C ATOM 0 H VAL A 30 -2.936 21.213 -1.533 1.00 21.20 H new ATOM 0 HA VAL A 30 -4.204 21.750 -4.014 1.00 31.35 H new ATOM 0 HB VAL A 30 -5.250 21.864 -1.154 1.00 24.23 H new ATOM 0 HG11 VAL A 30 -7.478 21.613 -2.167 1.00 64.13 H new ATOM 0 HG12 VAL A 30 -6.685 23.123 -2.677 1.00 64.13 H new ATOM 0 HG13 VAL A 30 -6.751 21.733 -3.787 1.00 64.13 H new ATOM 0 HG21 VAL A 30 -6.128 19.613 -1.631 1.00 54.44 H new ATOM 0 HG22 VAL A 30 -5.343 19.650 -3.228 1.00 54.44 H new ATOM 0 HG23 VAL A 30 -4.353 19.669 -1.749 1.00 54.44 H new ATOM 463 N GLU A 31 -4.704 24.195 -4.096 1.00 34.50 N ATOM 464 CA GLU A 31 -4.845 25.641 -4.219 1.00 63.31 C ATOM 465 C GLU A 31 -6.315 26.038 -4.321 1.00 24.02 C ATOM 466 O GLU A 31 -6.746 27.021 -3.720 1.00 3.43 O ATOM 467 CB GLU A 31 -4.082 26.147 -5.445 1.00 72.13 C ATOM 468 CG GLU A 31 -3.868 27.651 -5.451 1.00 2.15 C ATOM 469 CD GLU A 31 -2.953 28.106 -6.571 1.00 3.02 C ATOM 470 OE1 GLU A 31 -2.913 27.425 -7.617 1.00 60.00 O ATOM 471 OE2 GLU A 31 -2.277 29.142 -6.402 1.00 4.03 O ATOM 0 H GLU A 31 -4.982 23.672 -4.926 1.00 34.50 H new ATOM 0 HA GLU A 31 -4.425 26.099 -3.324 1.00 63.31 H new ATOM 0 HB2 GLU A 31 -3.113 25.650 -5.490 1.00 72.13 H new ATOM 0 HB3 GLU A 31 -4.628 25.863 -6.345 1.00 72.13 H new ATOM 0 HG2 GLU A 31 -4.832 28.151 -5.549 1.00 2.15 H new ATOM 0 HG3 GLU A 31 -3.445 27.958 -4.494 1.00 2.15 H new ATOM 478 N ALA A 32 -7.078 25.266 -5.087 1.00 35.13 N ATOM 479 CA ALA A 32 -8.500 25.535 -5.267 1.00 4.53 C ATOM 480 C ALA A 32 -9.237 24.292 -5.753 1.00 0.34 C ATOM 481 O ALA A 32 -8.619 23.329 -6.207 1.00 1.32 O ATOM 482 CB ALA A 32 -8.699 26.685 -6.243 1.00 51.21 C ATOM 0 H ALA A 32 -6.736 24.449 -5.593 1.00 35.13 H new ATOM 0 HA ALA A 32 -8.917 25.817 -4.300 1.00 4.53 H new ATOM 0 HB1 ALA A 32 -9.765 26.875 -6.368 1.00 51.21 H new ATOM 0 HB2 ALA A 32 -8.214 27.580 -5.854 1.00 51.21 H new ATOM 0 HB3 ALA A 32 -8.261 26.424 -7.207 1.00 51.21 H new ATOM 488 N VAL A 33 -10.562 24.319 -5.653 1.00 53.34 N ATOM 489 CA VAL A 33 -11.384 23.194 -6.083 1.00 52.43 C ATOM 490 C VAL A 33 -12.541 23.662 -6.959 1.00 13.12 C ATOM 491 O VAL A 33 -13.038 24.778 -6.805 1.00 45.22 O ATOM 492 CB VAL A 33 -11.948 22.418 -4.878 1.00 42.22 C ATOM 493 CG1 VAL A 33 -12.640 21.145 -5.339 1.00 55.05 C ATOM 494 CG2 VAL A 33 -10.841 22.102 -3.884 1.00 0.55 C ATOM 0 H VAL A 33 -11.089 25.108 -5.278 1.00 53.34 H new ATOM 0 HA VAL A 33 -10.738 22.533 -6.661 1.00 52.43 H new ATOM 0 HB VAL A 33 -12.687 23.044 -4.378 1.00 42.22 H new ATOM 0 HG11 VAL A 33 -13.032 20.610 -4.474 1.00 55.05 H new ATOM 0 HG12 VAL A 33 -13.460 21.399 -6.011 1.00 55.05 H new ATOM 0 HG13 VAL A 33 -11.925 20.512 -5.864 1.00 55.05 H new ATOM 0 HG21 VAL A 33 -11.257 21.554 -3.039 1.00 0.55 H new ATOM 0 HG22 VAL A 33 -10.078 21.495 -4.370 1.00 0.55 H new ATOM 0 HG23 VAL A 33 -10.394 23.031 -3.529 1.00 0.55 H new ATOM 504 N ARG A 34 -12.967 22.801 -7.877 1.00 61.12 N ATOM 505 CA ARG A 34 -14.066 23.126 -8.778 1.00 43.05 C ATOM 506 C ARG A 34 -14.899 21.886 -9.090 1.00 25.11 C ATOM 507 O ARG A 34 -14.358 20.814 -9.363 1.00 60.00 O ATOM 508 CB ARG A 34 -13.527 23.731 -10.076 1.00 71.13 C ATOM 509 CG ARG A 34 -13.308 25.233 -10.003 1.00 51.21 C ATOM 510 CD ARG A 34 -14.627 25.985 -9.914 1.00 31.31 C ATOM 511 NE ARG A 34 -15.111 26.399 -11.228 1.00 40.01 N ATOM 512 CZ ARG A 34 -16.311 26.930 -11.436 1.00 21.34 C ATOM 513 NH1 ARG A 34 -17.144 27.110 -10.420 1.00 53.13 N ATOM 514 NH2 ARG A 34 -16.679 27.282 -12.661 1.00 31.31 N ATOM 0 H ARG A 34 -12.568 21.873 -8.016 1.00 61.12 H new ATOM 0 HA ARG A 34 -14.705 23.856 -8.282 1.00 43.05 H new ATOM 0 HB2 ARG A 34 -12.584 23.247 -10.328 1.00 71.13 H new ATOM 0 HB3 ARG A 34 -14.224 23.513 -10.885 1.00 71.13 H new ATOM 0 HG2 ARG A 34 -12.693 25.470 -9.135 1.00 51.21 H new ATOM 0 HG3 ARG A 34 -12.758 25.565 -10.883 1.00 51.21 H new ATOM 0 HD2 ARG A 34 -15.374 25.351 -9.436 1.00 31.31 H new ATOM 0 HD3 ARG A 34 -14.501 26.863 -9.281 1.00 31.31 H new ATOM 0 HE ARG A 34 -14.494 26.274 -12.030 1.00 40.01 H new ATOM 0 HH11 ARG A 34 -16.864 26.841 -9.477 1.00 53.13 H new ATOM 0 HH12 ARG A 34 -18.065 27.518 -10.582 1.00 53.13 H new ATOM 0 HH21 ARG A 34 -16.040 27.145 -13.444 1.00 31.31 H new ATOM 0 HH22 ARG A 34 -17.601 27.690 -12.819 1.00 31.31 H new ATOM 528 N LYS A 35 -16.218 22.039 -9.046 1.00 44.24 N ATOM 529 CA LYS A 35 -17.126 20.933 -9.324 1.00 55.52 C ATOM 530 C LYS A 35 -17.241 20.687 -10.825 1.00 43.12 C ATOM 531 O LYS A 35 -17.067 21.603 -11.629 1.00 64.11 O ATOM 532 CB LYS A 35 -18.510 21.224 -8.738 1.00 21.54 C ATOM 533 CG LYS A 35 -19.298 22.259 -9.521 1.00 3.21 C ATOM 534 CD LYS A 35 -20.342 21.608 -10.413 1.00 2.44 C ATOM 535 CE LYS A 35 -21.473 21.003 -9.596 1.00 12.20 C ATOM 536 NZ LYS A 35 -21.968 19.731 -10.191 1.00 23.31 N ATOM 0 H LYS A 35 -16.682 22.919 -8.820 1.00 44.24 H new ATOM 0 HA LYS A 35 -16.720 20.036 -8.856 1.00 55.52 H new ATOM 0 HB2 LYS A 35 -19.082 20.297 -8.701 1.00 21.54 H new ATOM 0 HB3 LYS A 35 -18.395 21.569 -7.710 1.00 21.54 H new ATOM 0 HG2 LYS A 35 -19.786 22.945 -8.829 1.00 3.21 H new ATOM 0 HG3 LYS A 35 -18.616 22.852 -10.131 1.00 3.21 H new ATOM 0 HD2 LYS A 35 -20.746 22.349 -11.103 1.00 2.44 H new ATOM 0 HD3 LYS A 35 -19.873 20.832 -11.018 1.00 2.44 H new ATOM 0 HE2 LYS A 35 -21.128 20.818 -8.579 1.00 12.20 H new ATOM 0 HE3 LYS A 35 -22.294 21.716 -9.529 1.00 12.20 H new ATOM 0 HZ1 LYS A 35 -22.165 19.047 -9.433 1.00 23.31 H new ATOM 0 HZ2 LYS A 35 -22.840 19.915 -10.727 1.00 23.31 H new ATOM 0 HZ3 LYS A 35 -21.245 19.342 -10.829 1.00 23.31 H new ATOM 550 N SER A 36 -17.536 19.445 -11.196 1.00 4.12 N ATOM 551 CA SER A 36 -17.671 19.078 -12.601 1.00 2.34 C ATOM 552 C SER A 36 -19.112 19.252 -13.071 1.00 43.01 C ATOM 553 O SER A 36 -20.027 18.614 -12.552 1.00 32.53 O ATOM 554 CB SER A 36 -17.223 17.632 -12.817 1.00 64.42 C ATOM 555 OG SER A 36 -17.849 17.069 -13.957 1.00 31.11 O ATOM 0 H SER A 36 -17.686 18.676 -10.543 1.00 4.12 H new ATOM 0 HA SER A 36 -17.033 19.740 -13.187 1.00 2.34 H new ATOM 0 HB2 SER A 36 -16.140 17.598 -12.939 1.00 64.42 H new ATOM 0 HB3 SER A 36 -17.464 17.038 -11.935 1.00 64.42 H new ATOM 0 HG SER A 36 -17.545 16.145 -14.074 1.00 31.11 H new ATOM 561 N ASP A 37 -19.304 20.121 -14.058 1.00 33.44 N ATOM 562 CA ASP A 37 -20.633 20.379 -14.600 1.00 71.12 C ATOM 563 C ASP A 37 -21.190 19.136 -15.287 1.00 55.24 C ATOM 564 O ASP A 37 -22.390 18.865 -15.226 1.00 15.23 O ATOM 565 CB ASP A 37 -20.586 21.545 -15.588 1.00 42.44 C ATOM 566 CG ASP A 37 -19.845 22.746 -15.032 1.00 71.43 C ATOM 567 OD1 ASP A 37 -18.602 22.784 -15.153 1.00 14.52 O ATOM 568 OD2 ASP A 37 -20.508 23.646 -14.477 1.00 50.55 O ATOM 0 H ASP A 37 -18.557 20.658 -14.498 1.00 33.44 H new ATOM 0 HA ASP A 37 -21.292 20.641 -13.772 1.00 71.12 H new ATOM 0 HB2 ASP A 37 -20.103 21.218 -16.509 1.00 42.44 H new ATOM 0 HB3 ASP A 37 -21.603 21.838 -15.848 1.00 42.44 H new ATOM 573 N LEU A 38 -20.312 18.385 -15.942 1.00 75.25 N ATOM 574 CA LEU A 38 -20.717 17.171 -16.643 1.00 24.42 C ATOM 575 C LEU A 38 -21.083 16.068 -15.654 1.00 43.13 C ATOM 576 O LEU A 38 -22.035 15.318 -15.870 1.00 63.13 O ATOM 577 CB LEU A 38 -19.594 16.692 -17.565 1.00 3.31 C ATOM 578 CG LEU A 38 -19.222 17.632 -18.712 1.00 64.25 C ATOM 579 CD1 LEU A 38 -17.852 17.277 -19.270 1.00 72.34 C ATOM 580 CD2 LEU A 38 -20.276 17.579 -19.808 1.00 72.13 C ATOM 0 H LEU A 38 -19.316 18.595 -16.003 1.00 75.25 H new ATOM 0 HA LEU A 38 -21.597 17.404 -17.243 1.00 24.42 H new ATOM 0 HB2 LEU A 38 -18.704 16.518 -16.961 1.00 3.31 H new ATOM 0 HB3 LEU A 38 -19.884 15.731 -17.989 1.00 3.31 H new ATOM 0 HG LEU A 38 -19.181 18.650 -18.324 1.00 64.25 H new ATOM 0 HD11 LEU A 38 -17.604 17.956 -20.085 1.00 72.34 H new ATOM 0 HD12 LEU A 38 -17.104 17.367 -18.482 1.00 72.34 H new ATOM 0 HD13 LEU A 38 -17.865 16.253 -19.643 1.00 72.34 H new ATOM 0 HD21 LEU A 38 -19.995 18.254 -20.616 1.00 72.13 H new ATOM 0 HD22 LEU A 38 -20.349 16.562 -20.194 1.00 72.13 H new ATOM 0 HD23 LEU A 38 -21.240 17.883 -19.400 1.00 72.13 H new ATOM 592 N ASP A 39 -20.322 15.977 -14.569 1.00 50.40 N ATOM 593 CA ASP A 39 -20.568 14.969 -13.545 1.00 31.21 C ATOM 594 C ASP A 39 -20.590 15.599 -12.156 1.00 24.23 C ATOM 595 O ASP A 39 -19.584 16.136 -11.691 1.00 61.22 O ATOM 596 CB ASP A 39 -19.499 13.877 -13.607 1.00 22.12 C ATOM 597 CG ASP A 39 -19.886 12.642 -12.817 1.00 71.14 C ATOM 598 OD1 ASP A 39 -20.887 12.703 -12.074 1.00 13.31 O ATOM 599 OD2 ASP A 39 -19.187 11.614 -12.942 1.00 54.14 O ATOM 0 H ASP A 39 -19.529 16.589 -14.376 1.00 50.40 H new ATOM 0 HA ASP A 39 -21.544 14.523 -13.737 1.00 31.21 H new ATOM 0 HB2 ASP A 39 -19.327 13.600 -14.647 1.00 22.12 H new ATOM 0 HB3 ASP A 39 -18.559 14.271 -13.222 1.00 22.12 H new ATOM 604 N ASP A 40 -21.742 15.530 -11.499 1.00 0.25 N ATOM 605 CA ASP A 40 -21.895 16.094 -10.162 1.00 61.22 C ATOM 606 C ASP A 40 -21.083 15.302 -9.142 1.00 62.22 C ATOM 607 O ASP A 40 -20.763 15.803 -8.064 1.00 54.32 O ATOM 608 CB ASP A 40 -23.370 16.109 -9.758 1.00 23.15 C ATOM 609 CG ASP A 40 -24.279 16.519 -10.899 1.00 51.30 C ATOM 610 OD1 ASP A 40 -24.501 15.692 -11.808 1.00 41.02 O ATOM 611 OD2 ASP A 40 -24.770 17.667 -10.883 1.00 2.32 O ATOM 0 H ASP A 40 -22.584 15.089 -11.870 1.00 0.25 H new ATOM 0 HA ASP A 40 -21.521 17.118 -10.181 1.00 61.22 H new ATOM 0 HB2 ASP A 40 -23.657 15.118 -9.407 1.00 23.15 H new ATOM 0 HB3 ASP A 40 -23.508 16.796 -8.923 1.00 23.15 H new ATOM 616 N ARG A 41 -20.753 14.062 -9.490 1.00 11.21 N ATOM 617 CA ARG A 41 -19.980 13.200 -8.604 1.00 14.13 C ATOM 618 C ARG A 41 -18.493 13.271 -8.938 1.00 32.55 C ATOM 619 O ARG A 41 -17.757 12.303 -8.747 1.00 22.52 O ATOM 620 CB ARG A 41 -20.470 11.755 -8.709 1.00 61.43 C ATOM 621 CG ARG A 41 -21.983 11.620 -8.672 1.00 73.31 C ATOM 622 CD ARG A 41 -22.554 12.112 -7.352 1.00 12.44 C ATOM 623 NE ARG A 41 -23.996 11.898 -7.265 1.00 32.24 N ATOM 624 CZ ARG A 41 -24.553 10.702 -7.104 1.00 41.41 C ATOM 625 NH1 ARG A 41 -23.792 9.620 -7.013 1.00 54.21 N ATOM 626 NH2 ARG A 41 -25.873 10.588 -7.034 1.00 0.13 N ATOM 0 H ARG A 41 -21.009 13.632 -10.379 1.00 11.21 H new ATOM 0 HA ARG A 41 -20.122 13.551 -7.582 1.00 14.13 H new ATOM 0 HB2 ARG A 41 -20.098 11.321 -9.637 1.00 61.43 H new ATOM 0 HB3 ARG A 41 -20.042 11.175 -7.891 1.00 61.43 H new ATOM 0 HG2 ARG A 41 -22.420 12.188 -9.493 1.00 73.31 H new ATOM 0 HG3 ARG A 41 -22.260 10.577 -8.823 1.00 73.31 H new ATOM 0 HD2 ARG A 41 -22.061 11.595 -6.529 1.00 12.44 H new ATOM 0 HD3 ARG A 41 -22.338 13.174 -7.237 1.00 12.44 H new ATOM 0 HE ARG A 41 -24.609 12.711 -7.331 1.00 32.24 H new ATOM 0 HH11 ARG A 41 -22.777 9.704 -7.067 1.00 54.21 H new ATOM 0 HH12 ARG A 41 -24.222 8.703 -6.889 1.00 54.21 H new ATOM 0 HH21 ARG A 41 -26.461 11.419 -7.104 1.00 0.13 H new ATOM 0 HH22 ARG A 41 -26.300 9.670 -6.910 1.00 0.13 H new ATOM 640 N VAL A 42 -18.058 14.423 -9.438 1.00 20.35 N ATOM 641 CA VAL A 42 -16.659 14.620 -9.798 1.00 0.15 C ATOM 642 C VAL A 42 -16.193 16.027 -9.440 1.00 41.15 C ATOM 643 O VAL A 42 -16.949 16.992 -9.559 1.00 61.40 O ATOM 644 CB VAL A 42 -16.427 14.381 -11.301 1.00 72.43 C ATOM 645 CG1 VAL A 42 -14.961 14.581 -11.654 1.00 73.14 C ATOM 646 CG2 VAL A 42 -16.894 12.988 -11.697 1.00 22.34 C ATOM 0 H VAL A 42 -18.654 15.234 -9.603 1.00 20.35 H new ATOM 0 HA VAL A 42 -16.080 13.893 -9.229 1.00 0.15 H new ATOM 0 HB VAL A 42 -17.013 15.109 -11.862 1.00 72.43 H new ATOM 0 HG11 VAL A 42 -14.817 14.408 -12.720 1.00 73.14 H new ATOM 0 HG12 VAL A 42 -14.663 15.600 -11.408 1.00 73.14 H new ATOM 0 HG13 VAL A 42 -14.351 13.878 -11.086 1.00 73.14 H new ATOM 0 HG21 VAL A 42 -16.723 12.836 -12.763 1.00 22.34 H new ATOM 0 HG22 VAL A 42 -16.337 12.242 -11.130 1.00 22.34 H new ATOM 0 HG23 VAL A 42 -17.958 12.886 -11.483 1.00 22.34 H new ATOM 656 N TYR A 43 -14.943 16.137 -9.003 1.00 54.02 N ATOM 657 CA TYR A 43 -14.376 17.426 -8.627 1.00 12.43 C ATOM 658 C TYR A 43 -12.918 17.528 -9.063 1.00 3.13 C ATOM 659 O TYR A 43 -12.144 16.584 -8.907 1.00 34.44 O ATOM 660 CB TYR A 43 -14.484 17.633 -7.115 1.00 23.51 C ATOM 661 CG TYR A 43 -15.827 18.166 -6.671 1.00 3.54 C ATOM 662 CD1 TYR A 43 -16.914 17.318 -6.507 1.00 33.25 C ATOM 663 CD2 TYR A 43 -16.008 19.520 -6.414 1.00 5.12 C ATOM 664 CE1 TYR A 43 -18.143 17.802 -6.102 1.00 32.44 C ATOM 665 CE2 TYR A 43 -17.232 20.013 -6.007 1.00 35.40 C ATOM 666 CZ TYR A 43 -18.297 19.149 -5.853 1.00 13.52 C ATOM 667 OH TYR A 43 -19.519 19.635 -5.448 1.00 15.12 O ATOM 0 H TYR A 43 -14.304 15.349 -8.901 1.00 54.02 H new ATOM 0 HA TYR A 43 -14.943 18.206 -9.135 1.00 12.43 H new ATOM 0 HB2 TYR A 43 -14.295 16.684 -6.613 1.00 23.51 H new ATOM 0 HB3 TYR A 43 -13.704 18.324 -6.795 1.00 23.51 H new ATOM 0 HD1 TYR A 43 -16.797 16.262 -6.699 1.00 33.25 H new ATOM 0 HD2 TYR A 43 -15.177 20.199 -6.535 1.00 5.12 H new ATOM 0 HE1 TYR A 43 -18.979 17.129 -5.981 1.00 32.44 H new ATOM 0 HE2 TYR A 43 -17.355 21.068 -5.810 1.00 35.40 H new ATOM 0 HH TYR A 43 -19.458 20.604 -5.314 1.00 15.12 H new ATOM 677 N MET A 44 -12.550 18.682 -9.610 1.00 4.15 N ATOM 678 CA MET A 44 -11.184 18.909 -10.067 1.00 4.32 C ATOM 679 C MET A 44 -10.415 19.774 -9.073 1.00 44.44 C ATOM 680 O MET A 44 -10.820 20.896 -8.768 1.00 43.21 O ATOM 681 CB MET A 44 -11.188 19.575 -11.444 1.00 52.41 C ATOM 682 CG MET A 44 -11.856 20.941 -11.456 1.00 45.14 C ATOM 683 SD MET A 44 -12.992 21.146 -12.841 1.00 40.41 S ATOM 684 CE MET A 44 -14.212 19.890 -12.467 1.00 15.24 C ATOM 0 H MET A 44 -13.178 19.474 -9.747 1.00 4.15 H new ATOM 0 HA MET A 44 -10.687 17.942 -10.141 1.00 4.32 H new ATOM 0 HB2 MET A 44 -10.160 19.679 -11.791 1.00 52.41 H new ATOM 0 HB3 MET A 44 -11.699 18.923 -12.152 1.00 52.41 H new ATOM 0 HG2 MET A 44 -12.399 21.084 -10.522 1.00 45.14 H new ATOM 0 HG3 MET A 44 -11.090 21.715 -11.501 1.00 45.14 H new ATOM 0 HE1 MET A 44 -14.804 19.681 -13.358 1.00 15.24 H new ATOM 0 HE2 MET A 44 -13.709 18.979 -12.143 1.00 15.24 H new ATOM 0 HE3 MET A 44 -14.867 20.245 -11.671 1.00 15.24 H new ATOM 694 N VAL A 45 -9.303 19.246 -8.571 1.00 60.35 N ATOM 695 CA VAL A 45 -8.477 19.970 -7.613 1.00 0.10 C ATOM 696 C VAL A 45 -7.283 20.623 -8.300 1.00 1.42 C ATOM 697 O VAL A 45 -6.498 19.954 -8.973 1.00 31.14 O ATOM 698 CB VAL A 45 -7.967 19.040 -6.496 1.00 12.32 C ATOM 699 CG1 VAL A 45 -7.074 19.805 -5.531 1.00 32.24 C ATOM 700 CG2 VAL A 45 -9.136 18.401 -5.761 1.00 64.52 C ATOM 0 H VAL A 45 -8.954 18.319 -8.812 1.00 60.35 H new ATOM 0 HA VAL A 45 -9.107 20.743 -7.173 1.00 0.10 H new ATOM 0 HB VAL A 45 -7.374 18.246 -6.950 1.00 12.32 H new ATOM 0 HG11 VAL A 45 -6.723 19.132 -4.749 1.00 32.24 H new ATOM 0 HG12 VAL A 45 -6.219 20.211 -6.071 1.00 32.24 H new ATOM 0 HG13 VAL A 45 -7.640 20.621 -5.081 1.00 32.24 H new ATOM 0 HG21 VAL A 45 -8.758 17.747 -4.975 1.00 64.52 H new ATOM 0 HG22 VAL A 45 -9.757 19.180 -5.318 1.00 64.52 H new ATOM 0 HG23 VAL A 45 -9.732 17.818 -6.463 1.00 64.52 H new ATOM 710 N CYS A 46 -7.151 21.934 -8.125 1.00 73.43 N ATOM 711 CA CYS A 46 -6.052 22.679 -8.729 1.00 31.32 C ATOM 712 C CYS A 46 -4.914 22.871 -7.732 1.00 65.53 C ATOM 713 O CYS A 46 -5.052 23.598 -6.748 1.00 22.54 O ATOM 714 CB CYS A 46 -6.544 24.038 -9.228 1.00 44.21 C ATOM 715 SG CYS A 46 -5.315 24.964 -10.178 1.00 61.34 S ATOM 0 H CYS A 46 -7.791 22.502 -7.570 1.00 73.43 H new ATOM 0 HA CYS A 46 -5.676 22.104 -9.575 1.00 31.32 H new ATOM 0 HB2 CYS A 46 -7.428 23.887 -9.847 1.00 44.21 H new ATOM 0 HB3 CYS A 46 -6.853 24.638 -8.372 1.00 44.21 H new ATOM 0 HG CYS A 46 -5.825 26.098 -10.558 1.00 61.34 H new ATOM 721 N LEU A 47 -3.789 22.213 -7.993 1.00 51.12 N ATOM 722 CA LEU A 47 -2.626 22.310 -7.118 1.00 62.42 C ATOM 723 C LEU A 47 -1.885 23.624 -7.340 1.00 41.24 C ATOM 724 O LEU A 47 -1.972 24.226 -8.411 1.00 74.31 O ATOM 725 CB LEU A 47 -1.681 21.131 -7.361 1.00 51.22 C ATOM 726 CG LEU A 47 -2.304 19.739 -7.257 1.00 33.21 C ATOM 727 CD1 LEU A 47 -1.258 18.665 -7.512 1.00 2.21 C ATOM 728 CD2 LEU A 47 -2.949 19.544 -5.892 1.00 53.14 C ATOM 0 H LEU A 47 -3.658 21.607 -8.803 1.00 51.12 H new ATOM 0 HA LEU A 47 -2.975 22.282 -6.086 1.00 62.42 H new ATOM 0 HB2 LEU A 47 -1.246 21.239 -8.354 1.00 51.22 H new ATOM 0 HB3 LEU A 47 -0.861 21.195 -6.645 1.00 51.22 H new ATOM 0 HG LEU A 47 -3.078 19.651 -8.019 1.00 33.21 H new ATOM 0 HD11 LEU A 47 -1.720 17.681 -7.434 1.00 2.21 H new ATOM 0 HD12 LEU A 47 -0.842 18.792 -8.512 1.00 2.21 H new ATOM 0 HD13 LEU A 47 -0.461 18.751 -6.774 1.00 2.21 H new ATOM 0 HD21 LEU A 47 -3.387 18.548 -5.836 1.00 53.14 H new ATOM 0 HD22 LEU A 47 -2.194 19.652 -5.114 1.00 53.14 H new ATOM 0 HD23 LEU A 47 -3.729 20.292 -5.748 1.00 53.14 H new ATOM 740 N LYS A 48 -1.153 24.064 -6.322 1.00 54.43 N ATOM 741 CA LYS A 48 -0.393 25.306 -6.406 1.00 74.00 C ATOM 742 C LYS A 48 0.811 25.146 -7.329 1.00 35.31 C ATOM 743 O LYS A 48 1.551 24.168 -7.232 1.00 63.22 O ATOM 744 CB LYS A 48 0.072 25.738 -5.014 1.00 11.14 C ATOM 745 CG LYS A 48 -0.872 26.713 -4.332 1.00 54.22 C ATOM 746 CD LYS A 48 -0.264 27.284 -3.063 1.00 5.24 C ATOM 747 CE LYS A 48 -1.326 27.558 -2.009 1.00 50.22 C ATOM 748 NZ LYS A 48 -2.025 28.851 -2.249 1.00 45.32 N ATOM 0 H LYS A 48 -1.070 23.579 -5.429 1.00 54.43 H new ATOM 0 HA LYS A 48 -1.046 26.075 -6.819 1.00 74.00 H new ATOM 0 HB2 LYS A 48 0.183 24.854 -4.387 1.00 11.14 H new ATOM 0 HB3 LYS A 48 1.058 26.196 -5.096 1.00 11.14 H new ATOM 0 HG2 LYS A 48 -1.115 27.525 -5.017 1.00 54.22 H new ATOM 0 HG3 LYS A 48 -1.808 26.208 -4.093 1.00 54.22 H new ATOM 0 HD2 LYS A 48 0.473 26.586 -2.665 1.00 5.24 H new ATOM 0 HD3 LYS A 48 0.265 28.208 -3.296 1.00 5.24 H new ATOM 0 HE2 LYS A 48 -2.054 26.747 -2.007 1.00 50.22 H new ATOM 0 HE3 LYS A 48 -0.863 27.573 -1.022 1.00 50.22 H new ATOM 0 HZ1 LYS A 48 -1.974 29.438 -1.392 1.00 45.32 H new ATOM 0 HZ2 LYS A 48 -1.569 29.351 -3.038 1.00 45.32 H new ATOM 0 HZ3 LYS A 48 -3.021 28.668 -2.485 1.00 45.32 H new ATOM 762 N GLN A 49 0.999 26.113 -8.221 1.00 63.41 N ATOM 763 CA GLN A 49 2.114 26.078 -9.160 1.00 63.21 C ATOM 764 C GLN A 49 3.445 25.979 -8.422 1.00 20.14 C ATOM 765 O GLN A 49 3.881 26.931 -7.776 1.00 54.43 O ATOM 766 CB GLN A 49 2.101 27.324 -10.047 1.00 10.23 C ATOM 767 CG GLN A 49 3.128 27.285 -11.167 1.00 3.24 C ATOM 768 CD GLN A 49 3.493 28.667 -11.672 1.00 42.01 C ATOM 769 OE1 GLN A 49 3.881 29.542 -10.897 1.00 64.32 O ATOM 770 NE2 GLN A 49 3.371 28.871 -12.978 1.00 53.25 N ATOM 0 H GLN A 49 0.395 26.929 -8.313 1.00 63.41 H new ATOM 0 HA GLN A 49 2.000 25.193 -9.787 1.00 63.21 H new ATOM 0 HB2 GLN A 49 1.108 27.441 -10.480 1.00 10.23 H new ATOM 0 HB3 GLN A 49 2.284 28.202 -9.428 1.00 10.23 H new ATOM 0 HG2 GLN A 49 4.028 26.782 -10.812 1.00 3.24 H new ATOM 0 HG3 GLN A 49 2.736 26.692 -11.993 1.00 3.24 H new ATOM 0 HE21 GLN A 49 3.046 28.118 -13.584 1.00 53.25 H new ATOM 0 HE22 GLN A 49 3.603 29.781 -13.376 1.00 53.25 H new ATOM 779 N GLY A 50 4.087 24.818 -8.521 1.00 12.51 N ATOM 780 CA GLY A 50 5.361 24.616 -7.857 1.00 2.41 C ATOM 781 C GLY A 50 5.276 23.601 -6.735 1.00 32.31 C ATOM 782 O GLY A 50 6.264 23.340 -6.048 1.00 75.33 O ATOM 0 H GLY A 50 3.747 24.014 -9.049 1.00 12.51 H new ATOM 0 HA2 GLY A 50 6.099 24.285 -8.587 1.00 2.41 H new ATOM 0 HA3 GLY A 50 5.713 25.567 -7.457 1.00 2.41 H new ATOM 786 N SER A 51 4.092 23.027 -6.547 1.00 14.11 N ATOM 787 CA SER A 51 3.879 22.038 -5.496 1.00 44.34 C ATOM 788 C SER A 51 3.646 20.654 -6.093 1.00 32.41 C ATOM 789 O SER A 51 3.413 20.512 -7.294 1.00 44.51 O ATOM 790 CB SER A 51 2.688 22.438 -4.624 1.00 31.21 C ATOM 791 OG SER A 51 2.876 23.725 -4.062 1.00 22.13 O ATOM 0 H SER A 51 3.265 23.230 -7.109 1.00 14.11 H new ATOM 0 HA SER A 51 4.776 22.001 -4.878 1.00 44.34 H new ATOM 0 HB2 SER A 51 1.776 22.428 -5.222 1.00 31.21 H new ATOM 0 HB3 SER A 51 2.555 21.706 -3.827 1.00 31.21 H new ATOM 0 HG SER A 51 2.100 23.958 -3.511 1.00 22.13 H new ATOM 797 N THR A 52 3.709 19.632 -5.244 1.00 43.14 N ATOM 798 CA THR A 52 3.506 18.258 -5.686 1.00 4.12 C ATOM 799 C THR A 52 2.701 17.465 -4.663 1.00 3.14 C ATOM 800 O THR A 52 3.175 17.195 -3.559 1.00 3.42 O ATOM 801 CB THR A 52 4.848 17.543 -5.932 1.00 4.11 C ATOM 802 OG1 THR A 52 5.596 18.237 -6.936 1.00 43.35 O ATOM 803 CG2 THR A 52 4.622 16.103 -6.366 1.00 25.45 C ATOM 0 H THR A 52 3.899 19.731 -4.247 1.00 43.14 H new ATOM 0 HA THR A 52 2.951 18.306 -6.623 1.00 4.12 H new ATOM 0 HB THR A 52 5.410 17.541 -4.998 1.00 4.11 H new ATOM 0 HG1 THR A 52 6.448 17.777 -7.085 1.00 43.35 H new ATOM 0 HG21 THR A 52 5.584 15.618 -6.534 1.00 25.45 H new ATOM 0 HG22 THR A 52 4.078 15.569 -5.587 1.00 25.45 H new ATOM 0 HG23 THR A 52 4.042 16.088 -7.289 1.00 25.45 H new ATOM 811 N PHE A 53 1.481 17.093 -5.036 1.00 44.31 N ATOM 812 CA PHE A 53 0.610 16.331 -4.150 1.00 72.40 C ATOM 813 C PHE A 53 1.053 14.873 -4.074 1.00 21.42 C ATOM 814 O PHE A 53 0.726 14.066 -4.944 1.00 72.04 O ATOM 815 CB PHE A 53 -0.840 16.410 -4.633 1.00 42.14 C ATOM 816 CG PHE A 53 -1.843 16.016 -3.587 1.00 60.13 C ATOM 817 CD1 PHE A 53 -1.901 14.713 -3.121 1.00 34.42 C ATOM 818 CD2 PHE A 53 -2.728 16.949 -3.071 1.00 20.40 C ATOM 819 CE1 PHE A 53 -2.823 14.347 -2.158 1.00 31.50 C ATOM 820 CE2 PHE A 53 -3.651 16.589 -2.108 1.00 34.42 C ATOM 821 CZ PHE A 53 -3.700 15.286 -1.652 1.00 21.33 C ATOM 0 H PHE A 53 1.073 17.307 -5.946 1.00 44.31 H new ATOM 0 HA PHE A 53 0.678 16.766 -3.153 1.00 72.40 H new ATOM 0 HB2 PHE A 53 -1.050 17.428 -4.961 1.00 42.14 H new ATOM 0 HB3 PHE A 53 -0.961 15.764 -5.502 1.00 42.14 H new ATOM 0 HD1 PHE A 53 -1.218 13.974 -3.514 1.00 34.42 H new ATOM 0 HD2 PHE A 53 -2.696 17.969 -3.425 1.00 20.40 H new ATOM 0 HE1 PHE A 53 -2.857 13.328 -1.802 1.00 31.50 H new ATOM 0 HE2 PHE A 53 -4.334 17.326 -1.712 1.00 34.42 H new ATOM 0 HZ PHE A 53 -4.423 15.002 -0.901 1.00 21.33 H new ATOM 831 N VAL A 54 1.801 14.542 -3.026 1.00 20.31 N ATOM 832 CA VAL A 54 2.290 13.181 -2.834 1.00 54.43 C ATOM 833 C VAL A 54 1.525 12.474 -1.721 1.00 52.31 C ATOM 834 O VAL A 54 1.159 13.088 -0.717 1.00 63.43 O ATOM 835 CB VAL A 54 3.793 13.167 -2.499 1.00 32.03 C ATOM 836 CG1 VAL A 54 4.260 11.750 -2.203 1.00 4.24 C ATOM 837 CG2 VAL A 54 4.598 13.776 -3.636 1.00 41.25 C ATOM 0 H VAL A 54 2.082 15.198 -2.297 1.00 20.31 H new ATOM 0 HA VAL A 54 2.130 12.652 -3.773 1.00 54.43 H new ATOM 0 HB VAL A 54 3.955 13.771 -1.606 1.00 32.03 H new ATOM 0 HG11 VAL A 54 5.324 11.759 -1.968 1.00 4.24 H new ATOM 0 HG12 VAL A 54 3.704 11.354 -1.353 1.00 4.24 H new ATOM 0 HG13 VAL A 54 4.086 11.120 -3.075 1.00 4.24 H new ATOM 0 HG21 VAL A 54 5.658 13.758 -3.382 1.00 41.25 H new ATOM 0 HG22 VAL A 54 4.433 13.201 -4.547 1.00 41.25 H new ATOM 0 HG23 VAL A 54 4.281 14.807 -3.795 1.00 41.25 H new ATOM 847 N LEU A 55 1.286 11.181 -1.905 1.00 32.54 N ATOM 848 CA LEU A 55 0.564 10.388 -0.915 1.00 62.10 C ATOM 849 C LEU A 55 1.437 9.256 -0.383 1.00 32.32 C ATOM 850 O LEU A 55 1.646 8.250 -1.059 1.00 63.13 O ATOM 851 CB LEU A 55 -0.716 9.816 -1.526 1.00 13.20 C ATOM 852 CG LEU A 55 -1.880 10.796 -1.684 1.00 62.45 C ATOM 853 CD1 LEU A 55 -3.002 10.165 -2.494 1.00 61.14 C ATOM 854 CD2 LEU A 55 -2.389 11.243 -0.322 1.00 53.43 C ATOM 0 H LEU A 55 1.581 10.659 -2.730 1.00 32.54 H new ATOM 0 HA LEU A 55 0.301 11.042 -0.083 1.00 62.10 H new ATOM 0 HB2 LEU A 55 -0.475 9.407 -2.507 1.00 13.20 H new ATOM 0 HB3 LEU A 55 -1.050 8.983 -0.907 1.00 13.20 H new ATOM 0 HG LEU A 55 -1.521 11.674 -2.221 1.00 62.45 H new ATOM 0 HD11 LEU A 55 -3.821 10.876 -2.596 1.00 61.14 H new ATOM 0 HD12 LEU A 55 -2.630 9.895 -3.482 1.00 61.14 H new ATOM 0 HD13 LEU A 55 -3.360 9.270 -1.985 1.00 61.14 H new ATOM 0 HD21 LEU A 55 -3.217 11.940 -0.454 1.00 53.43 H new ATOM 0 HD22 LEU A 55 -2.731 10.375 0.241 1.00 53.43 H new ATOM 0 HD23 LEU A 55 -1.584 11.735 0.224 1.00 53.43 H new ATOM 866 N ASN A 56 1.941 9.427 0.835 1.00 63.31 N ATOM 867 CA ASN A 56 2.790 8.418 1.459 1.00 0.21 C ATOM 868 C ASN A 56 2.004 7.140 1.734 1.00 32.01 C ATOM 869 O ASN A 56 2.555 6.041 1.701 1.00 32.45 O ATOM 870 CB ASN A 56 3.382 8.956 2.763 1.00 5.31 C ATOM 871 CG ASN A 56 4.718 8.320 3.097 1.00 11.13 C ATOM 872 OD1 ASN A 56 5.304 7.613 2.277 1.00 34.24 O ATOM 873 ND2 ASN A 56 5.206 8.569 4.307 1.00 15.51 N ATOM 0 H ASN A 56 1.777 10.254 1.409 1.00 63.31 H new ATOM 0 HA ASN A 56 3.600 8.184 0.769 1.00 0.21 H new ATOM 0 HB2 ASN A 56 3.506 10.036 2.684 1.00 5.31 H new ATOM 0 HB3 ASN A 56 2.682 8.775 3.579 1.00 5.31 H new ATOM 0 HD21 ASN A 56 6.101 8.168 4.588 1.00 15.51 H new ATOM 0 HD22 ASN A 56 4.686 9.161 4.955 1.00 15.51 H new ATOM 880 N GLY A 57 0.711 7.293 2.005 1.00 51.34 N ATOM 881 CA GLY A 57 -0.131 6.144 2.281 1.00 64.33 C ATOM 882 C GLY A 57 -0.964 5.734 1.083 1.00 52.23 C ATOM 883 O GLY A 57 -1.558 4.657 1.070 1.00 64.33 O ATOM 0 H GLY A 57 0.232 8.193 2.038 1.00 51.34 H new ATOM 0 HA2 GLY A 57 0.494 5.306 2.589 1.00 64.33 H new ATOM 0 HA3 GLY A 57 -0.791 6.374 3.117 1.00 64.33 H new ATOM 887 N GLY A 58 -1.011 6.598 0.073 1.00 63.12 N ATOM 888 CA GLY A 58 -1.782 6.303 -1.121 1.00 31.15 C ATOM 889 C GLY A 58 -3.213 6.794 -1.022 1.00 21.40 C ATOM 890 O GLY A 58 -3.511 7.705 -0.250 1.00 55.30 O ATOM 0 H GLY A 58 -0.529 7.497 0.060 1.00 63.12 H new ATOM 0 HA2 GLY A 58 -1.301 6.765 -1.984 1.00 31.15 H new ATOM 0 HA3 GLY A 58 -1.781 5.227 -1.294 1.00 31.15 H new ATOM 894 N ILE A 59 -4.099 6.189 -1.806 1.00 52.52 N ATOM 895 CA ILE A 59 -5.506 6.571 -1.804 1.00 1.21 C ATOM 896 C ILE A 59 -6.236 5.971 -0.607 1.00 54.04 C ATOM 897 O ILE A 59 -7.272 6.481 -0.181 1.00 4.13 O ATOM 898 CB ILE A 59 -6.212 6.126 -3.098 1.00 51.22 C ATOM 899 CG1 ILE A 59 -5.428 6.602 -4.323 1.00 3.54 C ATOM 900 CG2 ILE A 59 -7.636 6.659 -3.135 1.00 15.54 C ATOM 901 CD1 ILE A 59 -5.302 8.107 -4.412 1.00 2.23 C ATOM 0 H ILE A 59 -3.868 5.433 -2.450 1.00 52.52 H new ATOM 0 HA ILE A 59 -5.538 7.659 -1.739 1.00 1.21 H new ATOM 0 HB ILE A 59 -6.252 5.037 -3.116 1.00 51.22 H new ATOM 0 HG12 ILE A 59 -4.431 6.163 -4.299 1.00 3.54 H new ATOM 0 HG13 ILE A 59 -5.918 6.233 -5.224 1.00 3.54 H new ATOM 0 HG21 ILE A 59 -8.122 6.336 -4.056 1.00 15.54 H new ATOM 0 HG22 ILE A 59 -8.190 6.276 -2.278 1.00 15.54 H new ATOM 0 HG23 ILE A 59 -7.618 7.748 -3.097 1.00 15.54 H new ATOM 0 HD11 ILE A 59 -4.735 8.373 -5.304 1.00 2.23 H new ATOM 0 HD12 ILE A 59 -6.295 8.553 -4.467 1.00 2.23 H new ATOM 0 HD13 ILE A 59 -4.785 8.482 -3.529 1.00 2.23 H new ATOM 913 N GLU A 60 -5.688 4.886 -0.070 1.00 34.41 N ATOM 914 CA GLU A 60 -6.288 4.217 1.079 1.00 72.23 C ATOM 915 C GLU A 60 -6.347 5.152 2.283 1.00 55.10 C ATOM 916 O GLU A 60 -7.369 5.240 2.963 1.00 21.44 O ATOM 917 CB GLU A 60 -5.495 2.958 1.435 1.00 30.14 C ATOM 918 CG GLU A 60 -5.546 1.882 0.363 1.00 11.24 C ATOM 919 CD GLU A 60 -5.038 0.542 0.858 1.00 72.45 C ATOM 920 OE1 GLU A 60 -5.403 0.147 1.985 1.00 40.14 O ATOM 921 OE2 GLU A 60 -4.276 -0.113 0.116 1.00 23.10 O ATOM 0 H GLU A 60 -4.831 4.452 -0.411 1.00 34.41 H new ATOM 0 HA GLU A 60 -7.306 3.933 0.811 1.00 72.23 H new ATOM 0 HB2 GLU A 60 -4.455 3.232 1.613 1.00 30.14 H new ATOM 0 HB3 GLU A 60 -5.881 2.548 2.368 1.00 30.14 H new ATOM 0 HG2 GLU A 60 -6.572 1.771 0.013 1.00 11.24 H new ATOM 0 HG3 GLU A 60 -4.950 2.199 -0.493 1.00 11.24 H new ATOM 928 N GLU A 61 -5.244 5.848 2.539 1.00 13.22 N ATOM 929 CA GLU A 61 -5.171 6.776 3.662 1.00 24.40 C ATOM 930 C GLU A 61 -6.120 7.953 3.458 1.00 4.13 C ATOM 931 O GLU A 61 -6.670 8.495 4.418 1.00 71.21 O ATOM 932 CB GLU A 61 -3.739 7.285 3.838 1.00 4.22 C ATOM 933 CG GLU A 61 -3.346 8.357 2.836 1.00 54.45 C ATOM 934 CD GLU A 61 -3.624 9.759 3.342 1.00 11.40 C ATOM 935 OE1 GLU A 61 -3.454 9.997 4.556 1.00 31.10 O ATOM 936 OE2 GLU A 61 -4.011 10.619 2.523 1.00 15.33 O ATOM 0 H GLU A 61 -4.390 5.787 1.985 1.00 13.22 H new ATOM 0 HA GLU A 61 -5.472 6.241 4.563 1.00 24.40 H new ATOM 0 HB2 GLU A 61 -3.625 7.683 4.846 1.00 4.22 H new ATOM 0 HB3 GLU A 61 -3.050 6.445 3.747 1.00 4.22 H new ATOM 0 HG2 GLU A 61 -2.285 8.262 2.605 1.00 54.45 H new ATOM 0 HG3 GLU A 61 -3.890 8.196 1.905 1.00 54.45 H new ATOM 943 N LEU A 62 -6.306 8.345 2.203 1.00 61.43 N ATOM 944 CA LEU A 62 -7.188 9.458 1.871 1.00 1.43 C ATOM 945 C LEU A 62 -8.643 9.107 2.166 1.00 3.45 C ATOM 946 O LEU A 62 -9.397 9.931 2.685 1.00 72.52 O ATOM 947 CB LEU A 62 -7.032 9.837 0.398 1.00 43.44 C ATOM 948 CG LEU A 62 -7.303 11.301 0.049 1.00 52.14 C ATOM 949 CD1 LEU A 62 -6.315 12.212 0.761 1.00 71.23 C ATOM 950 CD2 LEU A 62 -7.236 11.512 -1.457 1.00 61.30 C ATOM 0 H LEU A 62 -5.857 7.908 1.398 1.00 61.43 H new ATOM 0 HA LEU A 62 -6.906 10.309 2.490 1.00 1.43 H new ATOM 0 HB2 LEU A 62 -6.017 9.592 0.086 1.00 43.44 H new ATOM 0 HB3 LEU A 62 -7.705 9.213 -0.190 1.00 43.44 H new ATOM 0 HG LEU A 62 -8.308 11.555 0.387 1.00 52.14 H new ATOM 0 HD11 LEU A 62 -6.524 13.250 0.500 1.00 71.23 H new ATOM 0 HD12 LEU A 62 -6.412 12.082 1.839 1.00 71.23 H new ATOM 0 HD13 LEU A 62 -5.300 11.958 0.455 1.00 71.23 H new ATOM 0 HD21 LEU A 62 -7.431 12.559 -1.687 1.00 61.30 H new ATOM 0 HD22 LEU A 62 -6.244 11.240 -1.819 1.00 61.30 H new ATOM 0 HD23 LEU A 62 -7.984 10.888 -1.945 1.00 61.30 H new ATOM 962 N ARG A 63 -9.029 7.880 1.835 1.00 62.32 N ATOM 963 CA ARG A 63 -10.393 7.419 2.065 1.00 2.42 C ATOM 964 C ARG A 63 -10.751 7.499 3.546 1.00 5.05 C ATOM 965 O ARG A 63 -11.864 7.882 3.908 1.00 73.24 O ATOM 966 CB ARG A 63 -10.560 5.983 1.566 1.00 53.34 C ATOM 967 CG ARG A 63 -10.310 5.824 0.075 1.00 61.20 C ATOM 968 CD ARG A 63 -9.710 4.464 -0.247 1.00 5.22 C ATOM 969 NE ARG A 63 -10.708 3.535 -0.769 1.00 63.12 N ATOM 970 CZ ARG A 63 -10.504 2.228 -0.888 1.00 64.25 C ATOM 971 NH1 ARG A 63 -9.344 1.699 -0.524 1.00 22.40 N ATOM 972 NH2 ARG A 63 -11.461 1.447 -1.373 1.00 0.02 N ATOM 0 H ARG A 63 -8.416 7.186 1.406 1.00 62.32 H new ATOM 0 HA ARG A 63 -11.068 8.070 1.510 1.00 2.42 H new ATOM 0 HB2 ARG A 63 -9.874 5.335 2.112 1.00 53.34 H new ATOM 0 HB3 ARG A 63 -11.570 5.643 1.795 1.00 53.34 H new ATOM 0 HG2 ARG A 63 -11.247 5.947 -0.467 1.00 61.20 H new ATOM 0 HG3 ARG A 63 -9.638 6.610 -0.268 1.00 61.20 H new ATOM 0 HD2 ARG A 63 -8.910 4.585 -0.977 1.00 5.22 H new ATOM 0 HD3 ARG A 63 -9.260 4.044 0.653 1.00 5.22 H new ATOM 0 HE ARG A 63 -11.611 3.910 -1.058 1.00 63.12 H new ATOM 0 HH11 ARG A 63 -8.606 2.296 -0.152 1.00 22.40 H new ATOM 0 HH12 ARG A 63 -9.190 0.695 -0.616 1.00 22.40 H new ATOM 0 HH21 ARG A 63 -12.354 1.850 -1.655 1.00 0.02 H new ATOM 0 HH22 ARG A 63 -11.303 0.443 -1.464 1.00 0.02 H new ATOM 986 N LEU A 64 -9.800 7.135 4.400 1.00 63.23 N ATOM 987 CA LEU A 64 -10.014 7.164 5.842 1.00 10.34 C ATOM 988 C LEU A 64 -10.224 8.593 6.333 1.00 45.44 C ATOM 989 O LEU A 64 -10.999 8.836 7.259 1.00 45.22 O ATOM 990 CB LEU A 64 -8.824 6.534 6.568 1.00 71.54 C ATOM 991 CG LEU A 64 -8.848 5.010 6.698 1.00 52.22 C ATOM 992 CD1 LEU A 64 -7.480 4.488 7.109 1.00 73.12 C ATOM 993 CD2 LEU A 64 -9.909 4.577 7.699 1.00 53.20 C ATOM 0 H LEU A 64 -8.873 6.816 4.118 1.00 63.23 H new ATOM 0 HA LEU A 64 -10.913 6.587 6.062 1.00 10.34 H new ATOM 0 HB2 LEU A 64 -7.912 6.820 6.044 1.00 71.54 H new ATOM 0 HB3 LEU A 64 -8.765 6.963 7.568 1.00 71.54 H new ATOM 0 HG LEU A 64 -9.099 4.585 5.726 1.00 52.22 H new ATOM 0 HD11 LEU A 64 -7.516 3.402 7.197 1.00 73.12 H new ATOM 0 HD12 LEU A 64 -6.743 4.767 6.356 1.00 73.12 H new ATOM 0 HD13 LEU A 64 -7.199 4.920 8.069 1.00 73.12 H new ATOM 0 HD21 LEU A 64 -9.912 3.490 7.779 1.00 53.20 H new ATOM 0 HD22 LEU A 64 -9.688 5.012 8.674 1.00 53.20 H new ATOM 0 HD23 LEU A 64 -10.888 4.919 7.362 1.00 53.20 H new ATOM 1005 N LEU A 65 -9.530 9.536 5.705 1.00 41.34 N ATOM 1006 CA LEU A 65 -9.641 10.943 6.075 1.00 33.10 C ATOM 1007 C LEU A 65 -11.077 11.435 5.920 1.00 62.20 C ATOM 1008 O LEU A 65 -11.791 11.621 6.906 1.00 73.03 O ATOM 1009 CB LEU A 65 -8.703 11.793 5.216 1.00 74.20 C ATOM 1010 CG LEU A 65 -7.396 12.227 5.879 1.00 44.44 C ATOM 1011 CD1 LEU A 65 -6.415 12.742 4.837 1.00 44.03 C ATOM 1012 CD2 LEU A 65 -7.661 13.290 6.935 1.00 25.12 C ATOM 0 H LEU A 65 -8.884 9.352 4.937 1.00 41.34 H new ATOM 0 HA LEU A 65 -9.353 11.041 7.122 1.00 33.10 H new ATOM 0 HB2 LEU A 65 -8.461 11.232 4.314 1.00 74.20 H new ATOM 0 HB3 LEU A 65 -9.241 12.687 4.901 1.00 74.20 H new ATOM 0 HG LEU A 65 -6.953 11.359 6.368 1.00 44.44 H new ATOM 0 HD11 LEU A 65 -5.490 13.047 5.327 1.00 44.03 H new ATOM 0 HD12 LEU A 65 -6.201 11.952 4.117 1.00 44.03 H new ATOM 0 HD13 LEU A 65 -6.850 13.597 4.319 1.00 44.03 H new ATOM 0 HD21 LEU A 65 -6.719 13.587 7.397 1.00 25.12 H new ATOM 0 HD22 LEU A 65 -8.126 14.158 6.468 1.00 25.12 H new ATOM 0 HD23 LEU A 65 -8.328 12.887 7.698 1.00 25.12 H new ATOM 1024 N THR A 66 -11.495 11.642 4.675 1.00 1.11 N ATOM 1025 CA THR A 66 -12.845 12.111 4.390 1.00 10.03 C ATOM 1026 C THR A 66 -13.888 11.101 4.857 1.00 44.51 C ATOM 1027 O THR A 66 -15.035 11.457 5.121 1.00 74.22 O ATOM 1028 CB THR A 66 -13.042 12.377 2.886 1.00 62.11 C ATOM 1029 OG1 THR A 66 -14.301 13.021 2.663 1.00 72.32 O ATOM 1030 CG2 THR A 66 -12.983 11.079 2.095 1.00 61.13 C ATOM 0 H THR A 66 -10.917 11.492 3.848 1.00 1.11 H new ATOM 0 HA THR A 66 -12.977 13.045 4.937 1.00 10.03 H new ATOM 0 HB THR A 66 -12.237 13.028 2.546 1.00 62.11 H new ATOM 0 HG1 THR A 66 -14.418 13.188 1.704 1.00 72.32 H new ATOM 0 HG21 THR A 66 -13.125 11.292 1.035 1.00 61.13 H new ATOM 0 HG22 THR A 66 -12.012 10.606 2.243 1.00 61.13 H new ATOM 0 HG23 THR A 66 -13.770 10.407 2.439 1.00 61.13 H new ATOM 1038 N GLY A 67 -13.480 9.840 4.957 1.00 22.23 N ATOM 1039 CA GLY A 67 -14.391 8.798 5.393 1.00 13.11 C ATOM 1040 C GLY A 67 -15.178 8.198 4.245 1.00 42.14 C ATOM 1041 O GLY A 67 -16.320 7.774 4.420 1.00 20.54 O ATOM 0 H GLY A 67 -12.535 9.521 4.744 1.00 22.23 H new ATOM 0 HA2 GLY A 67 -13.826 8.011 5.892 1.00 13.11 H new ATOM 0 HA3 GLY A 67 -15.083 9.209 6.128 1.00 13.11 H new ATOM 1045 N ASP A 68 -14.567 8.164 3.065 1.00 0.25 N ATOM 1046 CA ASP A 68 -15.218 7.612 1.883 1.00 42.42 C ATOM 1047 C ASP A 68 -14.322 6.583 1.200 1.00 13.32 C ATOM 1048 O ASP A 68 -13.219 6.902 0.757 1.00 10.31 O ATOM 1049 CB ASP A 68 -15.571 8.730 0.901 1.00 54.42 C ATOM 1050 CG ASP A 68 -16.825 8.426 0.104 1.00 65.24 C ATOM 1051 OD1 ASP A 68 -17.242 7.249 0.082 1.00 11.31 O ATOM 1052 OD2 ASP A 68 -17.387 9.364 -0.499 1.00 71.25 O ATOM 0 H ASP A 68 -13.622 8.512 2.902 1.00 0.25 H new ATOM 0 HA ASP A 68 -16.134 7.115 2.201 1.00 42.42 H new ATOM 0 HB2 ASP A 68 -15.710 9.661 1.450 1.00 54.42 H new ATOM 0 HB3 ASP A 68 -14.737 8.885 0.216 1.00 54.42 H new ATOM 1057 N SER A 69 -14.804 5.347 1.120 1.00 14.21 N ATOM 1058 CA SER A 69 -14.046 4.270 0.496 1.00 64.31 C ATOM 1059 C SER A 69 -14.112 4.368 -1.025 1.00 54.51 C ATOM 1060 O SER A 69 -13.267 3.821 -1.733 1.00 64.40 O ATOM 1061 CB SER A 69 -14.578 2.911 0.954 1.00 73.41 C ATOM 1062 OG SER A 69 -14.002 2.527 2.190 1.00 2.23 O ATOM 0 H SER A 69 -15.716 5.067 1.480 1.00 14.21 H new ATOM 0 HA SER A 69 -13.005 4.367 0.804 1.00 64.31 H new ATOM 0 HB2 SER A 69 -15.663 2.956 1.053 1.00 73.41 H new ATOM 0 HB3 SER A 69 -14.359 2.158 0.198 1.00 73.41 H new ATOM 0 HG SER A 69 -14.360 1.656 2.461 1.00 2.23 H new ATOM 1068 N THR A 70 -15.125 5.072 -1.522 1.00 71.23 N ATOM 1069 CA THR A 70 -15.305 5.243 -2.958 1.00 63.45 C ATOM 1070 C THR A 70 -14.496 6.426 -3.477 1.00 11.32 C ATOM 1071 O THR A 70 -14.598 6.796 -4.647 1.00 53.33 O ATOM 1072 CB THR A 70 -16.788 5.452 -3.318 1.00 62.42 C ATOM 1073 OG1 THR A 70 -17.243 6.710 -2.809 1.00 43.42 O ATOM 1074 CG2 THR A 70 -17.645 4.330 -2.752 1.00 13.03 C ATOM 0 H THR A 70 -15.833 5.533 -0.950 1.00 71.23 H new ATOM 0 HA THR A 70 -14.950 4.328 -3.432 1.00 63.45 H new ATOM 0 HB THR A 70 -16.880 5.446 -4.404 1.00 62.42 H new ATOM 0 HG1 THR A 70 -17.219 6.695 -1.829 1.00 43.42 H new ATOM 0 HG21 THR A 70 -18.688 4.499 -3.019 1.00 13.03 H new ATOM 0 HG22 THR A 70 -17.315 3.377 -3.164 1.00 13.03 H new ATOM 0 HG23 THR A 70 -17.547 4.309 -1.667 1.00 13.03 H new ATOM 1082 N LEU A 71 -13.692 7.017 -2.600 1.00 31.13 N ATOM 1083 CA LEU A 71 -12.864 8.160 -2.969 1.00 71.34 C ATOM 1084 C LEU A 71 -11.705 7.727 -3.862 1.00 35.31 C ATOM 1085 O LEU A 71 -10.808 7.008 -3.424 1.00 3.21 O ATOM 1086 CB LEU A 71 -12.326 8.852 -1.716 1.00 32.44 C ATOM 1087 CG LEU A 71 -11.307 9.967 -1.950 1.00 0.23 C ATOM 1088 CD1 LEU A 71 -11.448 11.050 -0.891 1.00 21.32 C ATOM 1089 CD2 LEU A 71 -9.893 9.405 -1.956 1.00 1.15 C ATOM 0 H LEU A 71 -13.596 6.723 -1.628 1.00 31.13 H new ATOM 0 HA LEU A 71 -13.485 8.862 -3.525 1.00 71.34 H new ATOM 0 HB2 LEU A 71 -13.169 9.268 -1.165 1.00 32.44 H new ATOM 0 HB3 LEU A 71 -11.868 8.097 -1.077 1.00 32.44 H new ATOM 0 HG LEU A 71 -11.503 10.413 -2.925 1.00 0.23 H new ATOM 0 HD11 LEU A 71 -10.715 11.835 -1.074 1.00 21.32 H new ATOM 0 HD12 LEU A 71 -12.451 11.473 -0.935 1.00 21.32 H new ATOM 0 HD13 LEU A 71 -11.279 10.618 0.096 1.00 21.32 H new ATOM 0 HD21 LEU A 71 -9.181 10.213 -2.124 1.00 1.15 H new ATOM 0 HD22 LEU A 71 -9.685 8.932 -0.996 1.00 1.15 H new ATOM 0 HD23 LEU A 71 -9.798 8.667 -2.752 1.00 1.15 H new ATOM 1101 N GLU A 72 -11.732 8.171 -5.115 1.00 20.24 N ATOM 1102 CA GLU A 72 -10.682 7.830 -6.068 1.00 35.33 C ATOM 1103 C GLU A 72 -10.059 9.088 -6.664 1.00 3.42 C ATOM 1104 O GLU A 72 -10.654 10.165 -6.628 1.00 54.51 O ATOM 1105 CB GLU A 72 -11.244 6.948 -7.185 1.00 32.54 C ATOM 1106 CG GLU A 72 -12.131 5.821 -6.682 1.00 72.24 C ATOM 1107 CD GLU A 72 -12.156 4.633 -7.625 1.00 40.41 C ATOM 1108 OE1 GLU A 72 -11.643 4.764 -8.756 1.00 52.14 O ATOM 1109 OE2 GLU A 72 -12.688 3.574 -7.232 1.00 41.23 O ATOM 0 H GLU A 72 -12.468 8.767 -5.493 1.00 20.24 H new ATOM 0 HA GLU A 72 -9.907 7.279 -5.535 1.00 35.33 H new ATOM 0 HB2 GLU A 72 -11.816 7.569 -7.874 1.00 32.54 H new ATOM 0 HB3 GLU A 72 -10.416 6.522 -7.752 1.00 32.54 H new ATOM 0 HG2 GLU A 72 -11.779 5.496 -5.703 1.00 72.24 H new ATOM 0 HG3 GLU A 72 -13.146 6.195 -6.548 1.00 72.24 H new ATOM 1116 N ILE A 73 -8.856 8.944 -7.210 1.00 73.22 N ATOM 1117 CA ILE A 73 -8.152 10.068 -7.814 1.00 70.02 C ATOM 1118 C ILE A 73 -7.733 9.749 -9.246 1.00 14.55 C ATOM 1119 O ILE A 73 -7.187 8.681 -9.519 1.00 2.30 O ATOM 1120 CB ILE A 73 -6.903 10.453 -7.000 1.00 0.14 C ATOM 1121 CG1 ILE A 73 -7.294 10.815 -5.565 1.00 73.04 C ATOM 1122 CG2 ILE A 73 -6.174 11.612 -7.664 1.00 21.52 C ATOM 1123 CD1 ILE A 73 -6.116 11.192 -4.695 1.00 14.44 C ATOM 0 H ILE A 73 -8.349 8.060 -7.246 1.00 73.22 H new ATOM 0 HA ILE A 73 -8.846 10.909 -7.819 1.00 70.02 H new ATOM 0 HB ILE A 73 -6.230 9.596 -6.968 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -7.999 11.646 -5.588 1.00 73.04 H new ATOM 0 HG13 ILE A 73 -7.813 9.969 -5.114 1.00 73.04 H new ATOM 0 HG21 ILE A 73 -5.293 11.872 -7.077 1.00 21.52 H new ATOM 0 HG22 ILE A 73 -5.867 11.321 -8.669 1.00 21.52 H new ATOM 0 HG23 ILE A 73 -6.839 12.474 -7.723 1.00 21.52 H new ATOM 0 HD11 ILE A 73 -6.467 11.436 -3.693 1.00 14.44 H new ATOM 0 HD12 ILE A 73 -5.420 10.355 -4.642 1.00 14.44 H new ATOM 0 HD13 ILE A 73 -5.610 12.057 -5.123 1.00 14.44 H new ATOM 1135 N GLN A 74 -7.992 10.684 -10.154 1.00 14.40 N ATOM 1136 CA GLN A 74 -7.641 10.503 -11.557 1.00 52.25 C ATOM 1137 C GLN A 74 -6.892 11.719 -12.092 1.00 44.04 C ATOM 1138 O GLN A 74 -7.045 12.838 -11.603 1.00 55.31 O ATOM 1139 CB GLN A 74 -8.899 10.257 -12.392 1.00 71.02 C ATOM 1140 CG GLN A 74 -9.870 9.276 -11.755 1.00 1.23 C ATOM 1141 CD GLN A 74 -10.714 8.542 -12.778 1.00 21.12 C ATOM 1142 OE1 GLN A 74 -10.474 8.638 -13.982 1.00 0.32 O ATOM 1143 NE2 GLN A 74 -11.709 7.802 -12.303 1.00 53.14 N ATOM 0 H GLN A 74 -8.443 11.574 -9.943 1.00 14.40 H new ATOM 0 HA GLN A 74 -6.987 9.634 -11.632 1.00 52.25 H new ATOM 0 HB2 GLN A 74 -9.409 11.207 -12.554 1.00 71.02 H new ATOM 0 HB3 GLN A 74 -8.606 9.881 -13.372 1.00 71.02 H new ATOM 0 HG2 GLN A 74 -9.312 8.551 -11.163 1.00 1.23 H new ATOM 0 HG3 GLN A 74 -10.524 9.813 -11.068 1.00 1.23 H new ATOM 0 HE21 GLN A 74 -11.872 7.751 -11.297 1.00 53.14 H new ATOM 0 HE22 GLN A 74 -12.311 7.284 -12.944 1.00 53.14 H new ATOM 1152 N PRO A 75 -6.060 11.497 -13.121 1.00 21.31 N ATOM 1153 CA PRO A 75 -5.270 12.562 -13.745 1.00 2.33 C ATOM 1154 C PRO A 75 -6.135 13.542 -14.529 1.00 54.32 C ATOM 1155 O PRO A 75 -6.814 13.160 -15.482 1.00 13.01 O ATOM 1156 CB PRO A 75 -4.332 11.803 -14.687 1.00 55.54 C ATOM 1157 CG PRO A 75 -5.050 10.534 -14.994 1.00 41.42 C ATOM 1158 CD PRO A 75 -5.827 10.188 -13.754 1.00 71.14 C ATOM 0 HA PRO A 75 -4.751 13.171 -13.005 1.00 2.33 H new ATOM 0 HB2 PRO A 75 -4.133 12.375 -15.593 1.00 55.54 H new ATOM 0 HB3 PRO A 75 -3.369 11.609 -14.215 1.00 55.54 H new ATOM 0 HG2 PRO A 75 -5.715 10.659 -15.849 1.00 41.42 H new ATOM 0 HG3 PRO A 75 -4.348 9.740 -15.249 1.00 41.42 H new ATOM 0 HD2 PRO A 75 -6.764 9.685 -13.994 1.00 71.14 H new ATOM 0 HD3 PRO A 75 -5.265 9.520 -13.101 1.00 71.14 H new ATOM 1166 N MET A 76 -6.106 14.807 -14.123 1.00 11.22 N ATOM 1167 CA MET A 76 -6.887 15.842 -14.790 1.00 15.22 C ATOM 1168 C MET A 76 -6.414 16.040 -16.226 1.00 44.31 C ATOM 1169 O MET A 76 -5.224 15.917 -16.519 1.00 40.04 O ATOM 1170 CB MET A 76 -6.788 17.161 -14.021 1.00 52.22 C ATOM 1171 CG MET A 76 -7.525 18.311 -14.689 1.00 72.31 C ATOM 1172 SD MET A 76 -9.302 18.024 -14.802 1.00 42.50 S ATOM 1173 CE MET A 76 -9.871 19.636 -15.336 1.00 52.52 C ATOM 0 H MET A 76 -5.550 15.140 -13.335 1.00 11.22 H new ATOM 0 HA MET A 76 -7.928 15.519 -14.811 1.00 15.22 H new ATOM 0 HB2 MET A 76 -7.188 17.018 -13.017 1.00 52.22 H new ATOM 0 HB3 MET A 76 -5.737 17.429 -13.910 1.00 52.22 H new ATOM 0 HG2 MET A 76 -7.344 19.228 -14.128 1.00 72.31 H new ATOM 0 HG3 MET A 76 -7.121 18.464 -15.690 1.00 72.31 H new ATOM 0 HE1 MET A 76 -10.955 19.620 -15.451 1.00 52.52 H new ATOM 0 HE2 MET A 76 -9.597 20.384 -14.592 1.00 52.52 H new ATOM 0 HE3 MET A 76 -9.408 19.887 -16.290 1.00 52.52 H new ATOM 1183 N ILE A 77 -7.351 16.347 -17.117 1.00 2.13 N ATOM 1184 CA ILE A 77 -7.028 16.563 -18.522 1.00 24.45 C ATOM 1185 C ILE A 77 -7.299 18.006 -18.933 1.00 22.31 C ATOM 1186 O ILE A 77 -8.329 18.580 -18.580 1.00 2.21 O ATOM 1187 CB ILE A 77 -7.833 15.620 -19.435 1.00 41.25 C ATOM 1188 CG1 ILE A 77 -7.605 14.163 -19.029 1.00 60.34 C ATOM 1189 CG2 ILE A 77 -7.447 15.837 -20.891 1.00 72.31 C ATOM 1190 CD1 ILE A 77 -6.169 13.711 -19.178 1.00 41.53 C ATOM 0 H ILE A 77 -8.340 16.452 -16.891 1.00 2.13 H new ATOM 0 HA ILE A 77 -5.966 16.349 -18.639 1.00 24.45 H new ATOM 0 HB ILE A 77 -8.893 15.846 -19.322 1.00 41.25 H new ATOM 0 HG12 ILE A 77 -7.913 14.031 -17.992 1.00 60.34 H new ATOM 0 HG13 ILE A 77 -8.244 13.521 -19.635 1.00 60.34 H new ATOM 0 HG21 ILE A 77 -8.024 15.164 -21.525 1.00 72.31 H new ATOM 0 HG22 ILE A 77 -7.656 16.869 -21.173 1.00 72.31 H new ATOM 0 HG23 ILE A 77 -6.384 15.634 -21.020 1.00 72.31 H new ATOM 0 HD11 ILE A 77 -6.082 12.668 -18.872 1.00 41.53 H new ATOM 0 HD12 ILE A 77 -5.862 13.810 -20.219 1.00 41.53 H new ATOM 0 HD13 ILE A 77 -5.526 14.328 -18.550 1.00 41.53 H new