USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 6 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 12 THR OG1 : rot 105:sc= 1.31 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc=-0.00608 (180deg=-0.133) USER MOD Single : A 15 ASN : amide:sc=-0.00843 X(o=-0.0084,f=-0.0084) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -164:sc= 0 (180deg=-0.309) USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.89 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 35 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.1) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=7.5e-05) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -1.02 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -110:sc= -0.0121 (180deg=-0.0488) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 7.494 5.365 -5.559 1.00 34.42 N ATOM 72 CA ASP A 5 6.959 6.581 -6.161 1.00 63.40 C ATOM 73 C ASP A 5 5.854 7.176 -5.295 1.00 33.35 C ATOM 74 O ASP A 5 6.004 8.264 -4.739 1.00 3.14 O ATOM 75 CB ASP A 5 6.424 6.288 -7.563 1.00 75.23 C ATOM 76 CG ASP A 5 7.503 6.372 -8.625 1.00 32.43 C ATOM 77 OD1 ASP A 5 8.451 5.560 -8.573 1.00 33.12 O ATOM 78 OD2 ASP A 5 7.399 7.248 -9.508 1.00 2.33 O ATOM 0 HA ASP A 5 7.768 7.307 -6.234 1.00 63.40 H new ATOM 0 HB2 ASP A 5 5.980 5.293 -7.578 1.00 75.23 H new ATOM 0 HB3 ASP A 5 5.629 6.995 -7.800 1.00 75.23 H new ATOM 83 N HIS A 6 4.742 6.455 -5.185 1.00 22.02 N ATOM 84 CA HIS A 6 3.610 6.912 -4.386 1.00 44.03 C ATOM 85 C HIS A 6 4.008 7.070 -2.922 1.00 15.24 C ATOM 86 O HIS A 6 3.401 7.847 -2.185 1.00 3.13 O ATOM 87 CB HIS A 6 2.444 5.931 -4.507 1.00 62.35 C ATOM 88 CG HIS A 6 1.158 6.457 -3.949 1.00 21.12 C ATOM 89 ND1 HIS A 6 0.270 5.676 -3.239 1.00 44.01 N ATOM 90 CD2 HIS A 6 0.613 7.695 -3.997 1.00 75.22 C ATOM 91 CE1 HIS A 6 -0.766 6.410 -2.877 1.00 12.34 C ATOM 92 NE2 HIS A 6 -0.583 7.639 -3.324 1.00 10.51 N ATOM 0 H HIS A 6 4.601 5.553 -5.639 1.00 22.02 H new ATOM 0 HA HIS A 6 3.297 7.884 -4.766 1.00 44.03 H new ATOM 0 HB2 HIS A 6 2.299 5.680 -5.558 1.00 62.35 H new ATOM 0 HB3 HIS A 6 2.703 5.006 -3.991 1.00 62.35 H new ATOM 0 HD2 HIS A 6 1.039 8.565 -4.475 1.00 75.22 H new ATOM 0 HE1 HIS A 6 -1.618 6.064 -2.311 1.00 12.34 H new ATOM 0 HE2 HIS A 6 -1.226 8.420 -3.191 1.00 10.51 H new ATOM 100 N ALA A 7 5.029 6.328 -2.507 1.00 33.40 N ATOM 101 CA ALA A 7 5.507 6.386 -1.131 1.00 41.53 C ATOM 102 C ALA A 7 6.125 7.746 -0.823 1.00 23.11 C ATOM 103 O ALA A 7 5.682 8.448 0.086 1.00 51.11 O ATOM 104 CB ALA A 7 6.515 5.276 -0.875 1.00 72.20 C ATOM 0 H ALA A 7 5.542 5.679 -3.104 1.00 33.40 H new ATOM 0 HA ALA A 7 4.653 6.245 -0.469 1.00 41.53 H new ATOM 0 HB1 ALA A 7 6.863 5.332 0.156 1.00 72.20 H new ATOM 0 HB2 ALA A 7 6.043 4.309 -1.047 1.00 72.20 H new ATOM 0 HB3 ALA A 7 7.362 5.391 -1.551 1.00 72.20 H new ATOM 110 N ARG A 8 7.152 8.110 -1.584 1.00 53.54 N ATOM 111 CA ARG A 8 7.832 9.385 -1.391 1.00 11.35 C ATOM 112 C ARG A 8 6.856 10.549 -1.532 1.00 53.52 C ATOM 113 O ARG A 8 7.027 11.597 -0.908 1.00 22.31 O ATOM 114 CB ARG A 8 8.973 9.537 -2.398 1.00 1.10 C ATOM 115 CG ARG A 8 8.531 9.395 -3.845 1.00 72.32 C ATOM 116 CD ARG A 8 9.668 9.698 -4.808 1.00 23.03 C ATOM 117 NE ARG A 8 10.117 11.084 -4.706 1.00 11.14 N ATOM 118 CZ ARG A 8 11.163 11.568 -5.365 1.00 45.30 C ATOM 119 NH1 ARG A 8 11.865 10.783 -6.170 1.00 62.32 N ATOM 120 NH2 ARG A 8 11.510 12.841 -5.220 1.00 33.00 N ATOM 0 H ARG A 8 7.531 7.540 -2.340 1.00 53.54 H new ATOM 0 HA ARG A 8 8.244 9.399 -0.382 1.00 11.35 H new ATOM 0 HB2 ARG A 8 9.438 10.514 -2.263 1.00 1.10 H new ATOM 0 HB3 ARG A 8 9.736 8.789 -2.185 1.00 1.10 H new ATOM 0 HG2 ARG A 8 8.167 8.382 -4.017 1.00 72.32 H new ATOM 0 HG3 ARG A 8 7.698 10.071 -4.040 1.00 72.32 H new ATOM 0 HD2 ARG A 8 10.505 9.030 -4.603 1.00 23.03 H new ATOM 0 HD3 ARG A 8 9.342 9.497 -5.828 1.00 23.03 H new ATOM 0 HE ARG A 8 9.598 11.715 -4.095 1.00 11.14 H new ATOM 0 HH11 ARG A 8 11.602 9.804 -6.285 1.00 62.32 H new ATOM 0 HH12 ARG A 8 12.668 11.158 -6.675 1.00 62.32 H new ATOM 0 HH21 ARG A 8 10.973 13.449 -4.602 1.00 33.00 H new ATOM 0 HH22 ARG A 8 12.314 13.211 -5.727 1.00 33.00 H new ATOM 134 N PHE A 9 5.832 10.359 -2.358 1.00 12.23 N ATOM 135 CA PHE A 9 4.829 11.394 -2.583 1.00 31.41 C ATOM 136 C PHE A 9 3.943 11.569 -1.353 1.00 10.11 C ATOM 137 O PHE A 9 3.741 12.686 -0.873 1.00 72.44 O ATOM 138 CB PHE A 9 3.969 11.044 -3.799 1.00 72.30 C ATOM 139 CG PHE A 9 4.555 11.508 -5.101 1.00 41.45 C ATOM 140 CD1 PHE A 9 4.858 12.845 -5.302 1.00 41.41 C ATOM 141 CD2 PHE A 9 4.803 10.608 -6.125 1.00 54.34 C ATOM 142 CE1 PHE A 9 5.398 13.276 -6.499 1.00 41.43 C ATOM 143 CE2 PHE A 9 5.343 11.033 -7.324 1.00 53.34 C ATOM 144 CZ PHE A 9 5.640 12.369 -7.512 1.00 54.11 C ATOM 0 H PHE A 9 5.675 9.498 -2.882 1.00 12.23 H new ATOM 0 HA PHE A 9 5.348 12.334 -2.772 1.00 31.41 H new ATOM 0 HB2 PHE A 9 3.830 9.964 -3.837 1.00 72.30 H new ATOM 0 HB3 PHE A 9 2.981 11.488 -3.675 1.00 72.30 H new ATOM 0 HD1 PHE A 9 4.670 13.559 -4.514 1.00 41.41 H new ATOM 0 HD2 PHE A 9 4.572 9.562 -5.984 1.00 54.34 H new ATOM 0 HE1 PHE A 9 5.630 14.321 -6.642 1.00 41.43 H new ATOM 0 HE2 PHE A 9 5.533 10.321 -8.114 1.00 53.34 H new ATOM 0 HZ PHE A 9 6.060 12.703 -8.449 1.00 54.11 H new ATOM 154 N LEU A 10 3.417 10.459 -0.847 1.00 55.23 N ATOM 155 CA LEU A 10 2.551 10.489 0.327 1.00 63.32 C ATOM 156 C LEU A 10 3.332 10.907 1.568 1.00 2.43 C ATOM 157 O LEU A 10 2.862 11.720 2.364 1.00 75.12 O ATOM 158 CB LEU A 10 1.914 9.116 0.550 1.00 42.01 C ATOM 159 CG LEU A 10 0.410 9.111 0.825 1.00 60.23 C ATOM 160 CD1 LEU A 10 -0.243 7.888 0.199 1.00 43.11 C ATOM 161 CD2 LEU A 10 0.141 9.154 2.322 1.00 63.41 C ATOM 0 H LEU A 10 3.575 9.527 -1.231 1.00 55.23 H new ATOM 0 HA LEU A 10 1.765 11.223 0.150 1.00 63.32 H new ATOM 0 HB2 LEU A 10 2.104 8.502 -0.330 1.00 42.01 H new ATOM 0 HB3 LEU A 10 2.418 8.636 1.389 1.00 42.01 H new ATOM 0 HG LEU A 10 -0.026 10.002 0.372 1.00 60.23 H new ATOM 0 HD11 LEU A 10 -1.313 7.901 0.405 1.00 43.11 H new ATOM 0 HD12 LEU A 10 -0.081 7.901 -0.879 1.00 43.11 H new ATOM 0 HD13 LEU A 10 0.197 6.984 0.622 1.00 43.11 H new ATOM 0 HD21 LEU A 10 -0.935 9.150 2.499 1.00 63.41 H new ATOM 0 HD22 LEU A 10 0.590 8.282 2.798 1.00 63.41 H new ATOM 0 HD23 LEU A 10 0.574 10.061 2.744 1.00 63.41 H new ATOM 173 N GLN A 11 4.528 10.348 1.726 1.00 53.55 N ATOM 174 CA GLN A 11 5.374 10.666 2.870 1.00 62.54 C ATOM 175 C GLN A 11 5.655 12.163 2.941 1.00 63.15 C ATOM 176 O GLN A 11 5.859 12.717 4.021 1.00 14.32 O ATOM 177 CB GLN A 11 6.691 9.891 2.787 1.00 34.11 C ATOM 178 CG GLN A 11 6.615 8.497 3.390 1.00 42.25 C ATOM 179 CD GLN A 11 7.488 8.345 4.620 1.00 54.21 C ATOM 180 OE1 GLN A 11 8.708 8.496 4.552 1.00 12.25 O ATOM 181 NE2 GLN A 11 6.865 8.045 5.754 1.00 63.22 N ATOM 0 H GLN A 11 4.932 9.673 1.077 1.00 53.55 H new ATOM 0 HA GLN A 11 4.843 10.372 3.775 1.00 62.54 H new ATOM 0 HB2 GLN A 11 6.990 9.810 1.742 1.00 34.11 H new ATOM 0 HB3 GLN A 11 7.469 10.457 3.299 1.00 34.11 H new ATOM 0 HG2 GLN A 11 5.581 8.275 3.653 1.00 42.25 H new ATOM 0 HG3 GLN A 11 6.917 7.765 2.642 1.00 42.25 H new ATOM 0 HE21 GLN A 11 5.852 7.929 5.764 1.00 63.22 H new ATOM 0 HE22 GLN A 11 7.400 7.931 6.615 1.00 63.22 H new ATOM 190 N THR A 12 5.666 12.814 1.781 1.00 33.32 N ATOM 191 CA THR A 12 5.923 14.246 1.711 1.00 4.44 C ATOM 192 C THR A 12 4.707 15.046 2.162 1.00 13.54 C ATOM 193 O THR A 12 4.800 15.881 3.062 1.00 54.01 O ATOM 194 CB THR A 12 6.308 14.679 0.284 1.00 53.11 C ATOM 195 OG1 THR A 12 7.515 14.023 -0.118 1.00 43.15 O ATOM 196 CG2 THR A 12 6.494 16.187 0.207 1.00 21.02 C ATOM 0 H THR A 12 5.500 12.371 0.877 1.00 33.32 H new ATOM 0 HA THR A 12 6.757 14.450 2.382 1.00 4.44 H new ATOM 0 HB THR A 12 5.499 14.394 -0.389 1.00 53.11 H new ATOM 0 HG1 THR A 12 7.303 13.310 -0.756 1.00 43.15 H new ATOM 0 HG21 THR A 12 6.766 16.469 -0.810 1.00 21.02 H new ATOM 0 HG22 THR A 12 5.564 16.683 0.485 1.00 21.02 H new ATOM 0 HG23 THR A 12 7.286 16.491 0.891 1.00 21.02 H new ATOM 204 N ALA A 13 3.566 14.786 1.532 1.00 20.32 N ATOM 205 CA ALA A 13 2.330 15.480 1.871 1.00 1.02 C ATOM 206 C ALA A 13 2.077 15.448 3.375 1.00 70.04 C ATOM 207 O ALA A 13 1.725 16.462 3.977 1.00 11.14 O ATOM 208 CB ALA A 13 1.157 14.864 1.123 1.00 13.43 C ATOM 0 H ALA A 13 3.472 14.099 0.784 1.00 20.32 H new ATOM 0 HA ALA A 13 2.433 16.522 1.569 1.00 1.02 H new ATOM 0 HB1 ALA A 13 0.240 15.392 1.386 1.00 13.43 H new ATOM 0 HB2 ALA A 13 1.327 14.945 0.049 1.00 13.43 H new ATOM 0 HB3 ALA A 13 1.062 13.813 1.397 1.00 13.43 H new ATOM 214 N LYS A 14 2.258 14.277 3.975 1.00 34.34 N ATOM 215 CA LYS A 14 2.050 14.112 5.409 1.00 34.51 C ATOM 216 C LYS A 14 3.151 14.808 6.202 1.00 32.34 C ATOM 217 O LYS A 14 2.878 15.521 7.167 1.00 74.03 O ATOM 218 CB LYS A 14 2.007 12.625 5.771 1.00 3.22 C ATOM 219 CG LYS A 14 1.984 12.364 7.267 1.00 5.13 C ATOM 220 CD LYS A 14 1.581 10.932 7.577 1.00 12.45 C ATOM 221 CE LYS A 14 1.803 10.596 9.044 1.00 21.10 C ATOM 222 NZ LYS A 14 3.251 10.483 9.374 1.00 71.11 N ATOM 0 H LYS A 14 2.548 13.428 3.491 1.00 34.34 H new ATOM 0 HA LYS A 14 1.096 14.570 5.668 1.00 34.51 H new ATOM 0 HB2 LYS A 14 1.123 12.175 5.318 1.00 3.22 H new ATOM 0 HB3 LYS A 14 2.875 12.129 5.337 1.00 3.22 H new ATOM 0 HG2 LYS A 14 2.969 12.565 7.687 1.00 5.13 H new ATOM 0 HG3 LYS A 14 1.287 13.051 7.746 1.00 5.13 H new ATOM 0 HD2 LYS A 14 0.531 10.785 7.324 1.00 12.45 H new ATOM 0 HD3 LYS A 14 2.158 10.248 6.955 1.00 12.45 H new ATOM 0 HE2 LYS A 14 1.348 11.367 9.666 1.00 21.10 H new ATOM 0 HE3 LYS A 14 1.302 9.658 9.282 1.00 21.10 H new ATOM 0 HZ1 LYS A 14 3.360 10.043 10.310 1.00 71.11 H new ATOM 0 HZ2 LYS A 14 3.725 9.896 8.658 1.00 71.11 H new ATOM 0 HZ3 LYS A 14 3.680 11.430 9.384 1.00 71.11 H new ATOM 236 N ASN A 15 4.396 14.596 5.789 1.00 40.34 N ATOM 237 CA ASN A 15 5.538 15.205 6.461 1.00 65.24 C ATOM 238 C ASN A 15 5.379 16.720 6.540 1.00 44.14 C ATOM 239 O ASN A 15 5.851 17.355 7.483 1.00 2.31 O ATOM 240 CB ASN A 15 6.834 14.854 5.727 1.00 44.33 C ATOM 241 CG ASN A 15 7.987 15.755 6.127 1.00 22.41 C ATOM 242 OD1 ASN A 15 8.380 15.797 7.293 1.00 64.11 O ATOM 243 ND2 ASN A 15 8.535 16.480 5.159 1.00 14.41 N ATOM 0 H ASN A 15 4.640 14.007 4.993 1.00 40.34 H new ATOM 0 HA ASN A 15 5.584 14.810 7.476 1.00 65.24 H new ATOM 0 HB2 ASN A 15 7.097 13.817 5.936 1.00 44.33 H new ATOM 0 HB3 ASN A 15 6.672 14.931 4.652 1.00 44.33 H new ATOM 0 HD21 ASN A 15 9.315 17.104 5.368 1.00 14.41 H new ATOM 0 HD22 ASN A 15 8.176 16.413 4.206 1.00 14.41 H new ATOM 250 N ILE A 16 4.712 17.292 5.543 1.00 13.04 N ATOM 251 CA ILE A 16 4.489 18.732 5.501 1.00 20.12 C ATOM 252 C ILE A 16 3.549 19.176 6.616 1.00 35.45 C ATOM 253 O ILE A 16 3.861 20.089 7.381 1.00 54.30 O ATOM 254 CB ILE A 16 3.904 19.172 4.146 1.00 32.41 C ATOM 255 CG1 ILE A 16 4.874 18.833 3.013 1.00 61.43 C ATOM 256 CG2 ILE A 16 3.597 20.662 4.160 1.00 31.41 C ATOM 257 CD1 ILE A 16 4.185 18.416 1.732 1.00 24.51 C ATOM 0 H ILE A 16 4.317 16.781 4.754 1.00 13.04 H new ATOM 0 HA ILE A 16 5.461 19.205 5.639 1.00 20.12 H new ATOM 0 HB ILE A 16 2.973 18.631 3.976 1.00 32.41 H new ATOM 0 HG12 ILE A 16 5.503 19.700 2.812 1.00 61.43 H new ATOM 0 HG13 ILE A 16 5.534 18.029 3.339 1.00 61.43 H new ATOM 0 HG21 ILE A 16 3.184 20.958 3.195 1.00 31.41 H new ATOM 0 HG22 ILE A 16 2.873 20.877 4.946 1.00 31.41 H new ATOM 0 HG23 ILE A 16 4.514 21.221 4.349 1.00 31.41 H new ATOM 0 HD11 ILE A 16 4.934 18.191 0.973 1.00 24.51 H new ATOM 0 HD12 ILE A 16 3.578 17.530 1.917 1.00 24.51 H new ATOM 0 HD13 ILE A 16 3.546 19.227 1.382 1.00 24.51 H new ATOM 269 N THR A 17 2.395 18.521 6.706 1.00 53.34 N ATOM 270 CA THR A 17 1.408 18.847 7.728 1.00 42.23 C ATOM 271 C THR A 17 1.876 18.397 9.107 1.00 42.21 C ATOM 272 O THR A 17 1.460 18.951 10.124 1.00 22.21 O ATOM 273 CB THR A 17 0.046 18.195 7.422 1.00 4.33 C ATOM 274 OG1 THR A 17 0.013 17.745 6.063 1.00 33.24 O ATOM 275 CG2 THR A 17 -1.090 19.177 7.665 1.00 51.13 C ATOM 0 H THR A 17 2.121 17.761 6.083 1.00 53.34 H new ATOM 0 HA THR A 17 1.293 19.931 7.722 1.00 42.23 H new ATOM 0 HB THR A 17 -0.083 17.343 8.089 1.00 4.33 H new ATOM 0 HG1 THR A 17 -0.855 17.330 5.877 1.00 33.24 H new ATOM 0 HG21 THR A 17 -2.042 18.695 7.442 1.00 51.13 H new ATOM 0 HG22 THR A 17 -1.079 19.495 8.708 1.00 51.13 H new ATOM 0 HG23 THR A 17 -0.964 20.046 7.019 1.00 51.13 H new ATOM 283 N GLU A 18 2.744 17.391 9.133 1.00 21.41 N ATOM 284 CA GLU A 18 3.268 16.867 10.389 1.00 1.11 C ATOM 285 C GLU A 18 4.367 17.772 10.940 1.00 74.04 C ATOM 286 O GLU A 18 4.460 17.988 12.148 1.00 22.41 O ATOM 287 CB GLU A 18 3.811 15.450 10.190 1.00 42.51 C ATOM 288 CG GLU A 18 4.444 14.860 11.439 1.00 44.24 C ATOM 289 CD GLU A 18 5.020 13.477 11.203 1.00 41.31 C ATOM 290 OE1 GLU A 18 4.546 12.520 11.850 1.00 4.02 O ATOM 291 OE2 GLU A 18 5.944 13.352 10.372 1.00 13.30 O ATOM 0 H GLU A 18 3.099 16.923 8.299 1.00 21.41 H new ATOM 0 HA GLU A 18 2.450 16.837 11.109 1.00 1.11 H new ATOM 0 HB2 GLU A 18 2.998 14.801 9.863 1.00 42.51 H new ATOM 0 HB3 GLU A 18 4.550 15.462 9.389 1.00 42.51 H new ATOM 0 HG2 GLU A 18 5.234 15.524 11.790 1.00 44.24 H new ATOM 0 HG3 GLU A 18 3.697 14.808 12.231 1.00 44.24 H new ATOM 298 N ARG A 19 5.196 18.298 10.044 1.00 32.01 N ATOM 299 CA ARG A 19 6.289 19.178 10.439 1.00 30.14 C ATOM 300 C ARG A 19 5.756 20.524 10.923 1.00 62.51 C ATOM 301 O ARG A 19 6.160 21.022 11.974 1.00 60.23 O ATOM 302 CB ARG A 19 7.251 19.389 9.269 1.00 71.03 C ATOM 303 CG ARG A 19 8.607 19.935 9.685 1.00 13.14 C ATOM 304 CD ARG A 19 8.977 21.176 8.888 1.00 73.45 C ATOM 305 NE ARG A 19 10.307 21.671 9.231 1.00 61.41 N ATOM 306 CZ ARG A 19 10.864 22.735 8.664 1.00 10.23 C ATOM 307 NH1 ARG A 19 10.209 23.413 7.732 1.00 13.22 N ATOM 308 NH2 ARG A 19 12.079 23.124 9.030 1.00 32.13 N ATOM 0 H ARG A 19 5.131 18.130 9.040 1.00 32.01 H new ATOM 0 HA ARG A 19 6.826 18.703 11.260 1.00 30.14 H new ATOM 0 HB2 ARG A 19 7.394 18.440 8.752 1.00 71.03 H new ATOM 0 HB3 ARG A 19 6.796 20.076 8.555 1.00 71.03 H new ATOM 0 HG2 ARG A 19 8.593 20.175 10.748 1.00 13.14 H new ATOM 0 HG3 ARG A 19 9.369 19.169 9.541 1.00 13.14 H new ATOM 0 HD2 ARG A 19 8.939 20.947 7.823 1.00 73.45 H new ATOM 0 HD3 ARG A 19 8.241 21.958 9.073 1.00 73.45 H new ATOM 0 HE ARG A 19 10.838 21.172 9.945 1.00 61.41 H new ATOM 0 HH11 ARG A 19 9.275 23.118 7.449 1.00 13.22 H new ATOM 0 HH12 ARG A 19 10.639 24.230 7.298 1.00 13.22 H new ATOM 0 HH21 ARG A 19 12.586 22.606 9.747 1.00 32.13 H new ATOM 0 HH22 ARG A 19 12.506 23.941 8.594 1.00 32.13 H new ATOM 322 N VAL A 20 4.847 21.107 10.148 1.00 1.13 N ATOM 323 CA VAL A 20 4.258 22.394 10.497 1.00 3.53 C ATOM 324 C VAL A 20 3.689 22.373 11.911 1.00 1.24 C ATOM 325 O VAL A 20 3.908 23.298 12.694 1.00 62.12 O ATOM 326 CB VAL A 20 3.141 22.786 9.512 1.00 43.41 C ATOM 327 CG1 VAL A 20 2.114 21.671 9.398 1.00 34.23 C ATOM 328 CG2 VAL A 20 2.482 24.088 9.944 1.00 23.53 C ATOM 0 H VAL A 20 4.503 20.708 9.275 1.00 1.13 H new ATOM 0 HA VAL A 20 5.057 23.133 10.441 1.00 3.53 H new ATOM 0 HB VAL A 20 3.585 22.940 8.529 1.00 43.41 H new ATOM 0 HG11 VAL A 20 1.333 21.966 8.698 1.00 34.23 H new ATOM 0 HG12 VAL A 20 2.600 20.764 9.038 1.00 34.23 H new ATOM 0 HG13 VAL A 20 1.672 21.482 10.376 1.00 34.23 H new ATOM 0 HG21 VAL A 20 1.695 24.350 9.237 1.00 23.53 H new ATOM 0 HG22 VAL A 20 2.051 23.965 10.937 1.00 23.53 H new ATOM 0 HG23 VAL A 20 3.228 24.883 9.968 1.00 23.53 H new ATOM 338 N SER A 21 2.957 21.311 12.233 1.00 43.21 N ATOM 339 CA SER A 21 2.353 21.170 13.553 1.00 41.34 C ATOM 340 C SER A 21 3.419 21.202 14.644 1.00 15.51 C ATOM 341 O SER A 21 3.374 22.039 15.545 1.00 1.24 O ATOM 342 CB SER A 21 1.560 19.865 13.637 1.00 73.12 C ATOM 343 OG SER A 21 0.273 20.085 14.189 1.00 62.32 O ATOM 0 H SER A 21 2.768 20.536 11.598 1.00 43.21 H new ATOM 0 HA SER A 21 1.675 22.009 13.707 1.00 41.34 H new ATOM 0 HB2 SER A 21 1.463 19.430 12.642 1.00 73.12 H new ATOM 0 HB3 SER A 21 2.103 19.144 14.248 1.00 73.12 H new ATOM 0 HG SER A 21 -0.215 19.236 14.230 1.00 62.32 H new ATOM 349 N MET A 22 4.376 20.285 14.555 1.00 34.42 N ATOM 350 CA MET A 22 5.454 20.208 15.534 1.00 13.02 C ATOM 351 C MET A 22 6.231 21.519 15.591 1.00 51.32 C ATOM 352 O MET A 22 6.732 21.910 16.645 1.00 75.21 O ATOM 353 CB MET A 22 6.400 19.055 15.193 1.00 11.14 C ATOM 354 CG MET A 22 5.901 17.699 15.667 1.00 42.52 C ATOM 355 SD MET A 22 7.242 16.534 15.971 1.00 25.45 S ATOM 356 CE MET A 22 8.210 16.732 14.477 1.00 75.00 C ATOM 0 H MET A 22 4.427 19.585 13.815 1.00 34.42 H new ATOM 0 HA MET A 22 5.010 20.027 16.513 1.00 13.02 H new ATOM 0 HB2 MET A 22 6.545 19.022 14.113 1.00 11.14 H new ATOM 0 HB3 MET A 22 7.375 19.251 15.640 1.00 11.14 H new ATOM 0 HG2 MET A 22 5.323 17.828 16.582 1.00 42.52 H new ATOM 0 HG3 MET A 22 5.226 17.283 14.919 1.00 42.52 H new ATOM 0 HE1 MET A 22 8.902 15.895 14.378 1.00 75.00 H new ATOM 0 HE2 MET A 22 7.545 16.757 13.613 1.00 75.00 H new ATOM 0 HE3 MET A 22 8.773 17.664 14.529 1.00 75.00 H new ATOM 366 N ALA A 23 6.328 22.194 14.450 1.00 12.31 N ATOM 367 CA ALA A 23 7.043 23.462 14.371 1.00 15.20 C ATOM 368 C ALA A 23 6.301 24.559 15.128 1.00 74.35 C ATOM 369 O ALA A 23 6.888 25.274 15.940 1.00 52.10 O ATOM 370 CB ALA A 23 7.244 23.865 12.918 1.00 61.34 C ATOM 0 H ALA A 23 5.920 21.884 13.568 1.00 12.31 H new ATOM 0 HA ALA A 23 8.019 23.330 14.839 1.00 15.20 H new ATOM 0 HB1 ALA A 23 7.779 24.814 12.874 1.00 61.34 H new ATOM 0 HB2 ALA A 23 7.823 23.098 12.404 1.00 61.34 H new ATOM 0 HB3 ALA A 23 6.274 23.973 12.433 1.00 61.34 H new ATOM 376 N THR A 24 5.006 24.687 14.855 1.00 14.04 N ATOM 377 CA THR A 24 4.184 25.698 15.509 1.00 73.32 C ATOM 378 C THR A 24 4.278 25.586 17.026 1.00 11.12 C ATOM 379 O THR A 24 4.435 26.588 17.723 1.00 2.11 O ATOM 380 CB THR A 24 2.707 25.579 15.087 1.00 12.34 C ATOM 381 OG1 THR A 24 2.619 25.284 13.689 1.00 34.00 O ATOM 382 CG2 THR A 24 1.954 26.866 15.388 1.00 54.44 C ATOM 0 H THR A 24 4.504 24.103 14.186 1.00 14.04 H new ATOM 0 HA THR A 24 4.567 26.669 15.195 1.00 73.32 H new ATOM 0 HB THR A 24 2.253 24.769 15.657 1.00 12.34 H new ATOM 0 HG1 THR A 24 2.843 24.342 13.539 1.00 34.00 H new ATOM 0 HG21 THR A 24 0.913 26.759 15.082 1.00 54.44 H new ATOM 0 HG22 THR A 24 1.998 27.072 16.457 1.00 54.44 H new ATOM 0 HG23 THR A 24 2.410 27.691 14.841 1.00 54.44 H new ATOM 390 N ALA A 25 4.181 24.361 17.532 1.00 63.11 N ATOM 391 CA ALA A 25 4.258 24.119 18.967 1.00 25.41 C ATOM 392 C ALA A 25 5.644 24.456 19.507 1.00 21.01 C ATOM 393 O ALA A 25 5.786 25.288 20.403 1.00 31.12 O ATOM 394 CB ALA A 25 3.907 22.671 19.278 1.00 50.13 C ATOM 0 H ALA A 25 4.049 23.521 16.969 1.00 63.11 H new ATOM 0 HA ALA A 25 3.536 24.771 19.459 1.00 25.41 H new ATOM 0 HB1 ALA A 25 3.969 22.505 20.353 1.00 50.13 H new ATOM 0 HB2 ALA A 25 2.894 22.461 18.936 1.00 50.13 H new ATOM 0 HB3 ALA A 25 4.607 22.009 18.768 1.00 50.13 H new ATOM 400 N SER A 26 6.664 23.804 18.957 1.00 55.44 N ATOM 401 CA SER A 26 8.038 24.032 19.387 1.00 41.44 C ATOM 402 C SER A 26 8.406 25.508 19.270 1.00 10.42 C ATOM 403 O SER A 26 9.242 26.012 20.020 1.00 10.23 O ATOM 404 CB SER A 26 9.003 23.187 18.552 1.00 14.41 C ATOM 405 OG SER A 26 10.346 23.582 18.770 1.00 40.30 O ATOM 0 H SER A 26 6.564 23.114 18.213 1.00 55.44 H new ATOM 0 HA SER A 26 8.119 23.737 20.433 1.00 41.44 H new ATOM 0 HB2 SER A 26 8.884 22.134 18.808 1.00 14.41 H new ATOM 0 HB3 SER A 26 8.758 23.288 17.495 1.00 14.41 H new ATOM 0 HG SER A 26 10.943 23.026 18.227 1.00 40.30 H new ATOM 411 N SER A 27 7.775 26.196 18.324 1.00 50.31 N ATOM 412 CA SER A 27 8.038 27.614 18.105 1.00 33.14 C ATOM 413 C SER A 27 7.698 28.428 19.350 1.00 34.44 C ATOM 414 O SER A 27 8.480 29.272 19.785 1.00 41.00 O ATOM 415 CB SER A 27 7.230 28.126 16.911 1.00 31.23 C ATOM 416 OG SER A 27 6.780 29.451 17.131 1.00 52.53 O ATOM 0 H SER A 27 7.078 25.795 17.697 1.00 50.31 H new ATOM 0 HA SER A 27 9.101 27.733 17.893 1.00 33.14 H new ATOM 0 HB2 SER A 27 7.844 28.092 16.011 1.00 31.23 H new ATOM 0 HB3 SER A 27 6.375 27.472 16.739 1.00 31.23 H new ATOM 0 HG SER A 27 6.268 29.756 16.353 1.00 52.53 H new ATOM 422 N GLN A 28 6.525 28.166 19.918 1.00 13.13 N ATOM 423 CA GLN A 28 6.080 28.874 21.113 1.00 41.43 C ATOM 424 C GLN A 28 5.589 27.896 22.175 1.00 44.02 C ATOM 425 O GLN A 28 6.260 27.670 23.182 1.00 15.15 O ATOM 426 CB GLN A 28 4.967 29.863 20.760 1.00 5.34 C ATOM 427 CG GLN A 28 5.465 31.109 20.045 1.00 73.25 C ATOM 428 CD GLN A 28 5.608 32.298 20.974 1.00 52.03 C ATOM 429 OE1 GLN A 28 4.631 32.760 21.565 1.00 62.32 O ATOM 430 NE2 GLN A 28 6.829 32.801 21.108 1.00 3.10 N ATOM 0 H GLN A 28 5.866 27.469 19.570 1.00 13.13 H new ATOM 0 HA GLN A 28 6.931 29.423 21.517 1.00 41.43 H new ATOM 0 HB2 GLN A 28 4.233 29.361 20.130 1.00 5.34 H new ATOM 0 HB3 GLN A 28 4.453 30.160 21.674 1.00 5.34 H new ATOM 0 HG2 GLN A 28 6.429 30.897 19.582 1.00 73.25 H new ATOM 0 HG3 GLN A 28 4.774 31.362 19.241 1.00 73.25 H new ATOM 0 HE21 GLN A 28 7.610 32.387 20.599 1.00 3.10 H new ATOM 0 HE22 GLN A 28 6.986 33.602 21.720 1.00 3.10 H new ATOM 439 N VAL A 29 4.415 27.318 21.943 1.00 62.14 N ATOM 440 CA VAL A 29 3.835 26.363 22.879 1.00 73.10 C ATOM 441 C VAL A 29 2.504 25.827 22.363 1.00 30.02 C ATOM 442 O VAL A 29 2.128 24.689 22.648 1.00 11.11 O ATOM 443 CB VAL A 29 3.617 26.998 24.265 1.00 23.44 C ATOM 444 CG1 VAL A 29 2.786 28.266 24.148 1.00 41.02 C ATOM 445 CG2 VAL A 29 2.957 26.003 25.209 1.00 41.35 C ATOM 0 H VAL A 29 3.847 27.495 21.115 1.00 62.14 H new ATOM 0 HA VAL A 29 4.544 25.540 22.972 1.00 73.10 H new ATOM 0 HB VAL A 29 4.589 27.267 24.678 1.00 23.44 H new ATOM 0 HG11 VAL A 29 2.643 28.700 25.138 1.00 41.02 H new ATOM 0 HG12 VAL A 29 3.303 28.982 23.509 1.00 41.02 H new ATOM 0 HG13 VAL A 29 1.816 28.026 23.713 1.00 41.02 H new ATOM 0 HG21 VAL A 29 2.810 26.468 26.184 1.00 41.35 H new ATOM 0 HG22 VAL A 29 1.992 25.701 24.802 1.00 41.35 H new ATOM 0 HG23 VAL A 29 3.595 25.126 25.318 1.00 41.35 H new ATOM 455 N LEU A 30 1.795 26.653 21.602 1.00 11.22 N ATOM 456 CA LEU A 30 0.505 26.263 21.045 1.00 74.42 C ATOM 457 C LEU A 30 -0.554 26.166 22.138 1.00 14.55 C ATOM 458 O LEU A 30 -0.759 25.104 22.726 1.00 73.33 O ATOM 459 CB LEU A 30 0.626 24.923 20.317 1.00 32.52 C ATOM 460 CG LEU A 30 -0.085 24.825 18.967 1.00 14.11 C ATOM 461 CD1 LEU A 30 0.887 25.101 17.831 1.00 53.14 C ATOM 462 CD2 LEU A 30 -0.729 23.456 18.801 1.00 44.13 C ATOM 0 H LEU A 30 2.092 27.597 21.356 1.00 11.22 H new ATOM 0 HA LEU A 30 0.198 27.030 20.334 1.00 74.42 H new ATOM 0 HB2 LEU A 30 1.684 24.710 20.164 1.00 32.52 H new ATOM 0 HB3 LEU A 30 0.234 24.142 20.969 1.00 32.52 H new ATOM 0 HG LEU A 30 -0.871 25.579 18.936 1.00 14.11 H new ATOM 0 HD11 LEU A 30 0.363 25.027 16.878 1.00 53.14 H new ATOM 0 HD12 LEU A 30 1.300 26.104 17.941 1.00 53.14 H new ATOM 0 HD13 LEU A 30 1.696 24.371 17.858 1.00 53.14 H new ATOM 0 HD21 LEU A 30 -1.230 23.405 17.835 1.00 44.13 H new ATOM 0 HD22 LEU A 30 0.039 22.684 18.853 1.00 44.13 H new ATOM 0 HD23 LEU A 30 -1.457 23.298 19.596 1.00 44.13 H new ATOM 474 N ILE A 31 -1.225 27.282 22.405 1.00 52.00 N ATOM 475 CA ILE A 31 -2.265 27.322 23.425 1.00 12.14 C ATOM 476 C ILE A 31 -3.337 28.350 23.078 1.00 4.22 C ATOM 477 O ILE A 31 -3.084 29.337 22.387 1.00 74.05 O ATOM 478 CB ILE A 31 -1.682 27.654 24.811 1.00 25.45 C ATOM 479 CG1 ILE A 31 -0.940 28.991 24.770 1.00 12.51 C ATOM 480 CG2 ILE A 31 -0.753 26.541 25.275 1.00 43.31 C ATOM 481 CD1 ILE A 31 -1.674 30.111 25.476 1.00 65.42 C ATOM 0 H ILE A 31 -1.067 28.170 21.929 1.00 52.00 H new ATOM 0 HA ILE A 31 -2.714 26.329 23.457 1.00 12.14 H new ATOM 0 HB ILE A 31 -2.503 27.737 25.523 1.00 25.45 H new ATOM 0 HG12 ILE A 31 0.042 28.867 25.226 1.00 12.51 H new ATOM 0 HG13 ILE A 31 -0.775 29.274 23.730 1.00 12.51 H new ATOM 0 HG21 ILE A 31 -0.349 26.790 26.256 1.00 43.31 H new ATOM 0 HG22 ILE A 31 -1.309 25.606 25.338 1.00 43.31 H new ATOM 0 HG23 ILE A 31 0.065 26.429 24.563 1.00 43.31 H new ATOM 0 HD11 ILE A 31 -1.090 31.029 25.407 1.00 65.42 H new ATOM 0 HD12 ILE A 31 -2.645 30.263 25.005 1.00 65.42 H new ATOM 0 HD13 ILE A 31 -1.816 29.849 26.524 1.00 65.42 H new ATOM 493 N PRO A 32 -4.562 28.117 23.571 1.00 73.25 N ATOM 494 CA PRO A 32 -5.697 29.013 23.328 1.00 62.34 C ATOM 495 C PRO A 32 -5.551 30.344 24.057 1.00 63.03 C ATOM 496 O PRO A 32 -5.009 30.401 25.160 1.00 31.11 O ATOM 497 CB PRO A 32 -6.891 28.230 23.878 1.00 33.22 C ATOM 498 CG PRO A 32 -6.307 27.318 24.902 1.00 55.23 C ATOM 499 CD PRO A 32 -4.935 26.961 24.403 1.00 62.52 C ATOM 0 HA PRO A 32 -5.791 29.275 22.274 1.00 62.34 H new ATOM 0 HB2 PRO A 32 -7.633 28.897 24.318 1.00 33.22 H new ATOM 0 HB3 PRO A 32 -7.394 27.670 23.090 1.00 33.22 H new ATOM 0 HG2 PRO A 32 -6.254 27.807 25.875 1.00 55.23 H new ATOM 0 HG3 PRO A 32 -6.921 26.426 25.026 1.00 55.23 H new ATOM 0 HD2 PRO A 32 -4.234 26.815 25.225 1.00 62.52 H new ATOM 0 HD3 PRO A 32 -4.946 26.037 23.825 1.00 62.52 H new ATOM 507 N GLU A 33 -6.038 31.412 23.433 1.00 44.05 N ATOM 508 CA GLU A 33 -5.960 32.743 24.024 1.00 60.25 C ATOM 509 C GLU A 33 -7.163 33.589 23.618 1.00 41.44 C ATOM 510 O GLU A 33 -7.815 34.204 24.462 1.00 54.44 O ATOM 511 CB GLU A 33 -4.666 33.439 23.598 1.00 4.23 C ATOM 512 CG GLU A 33 -3.749 33.782 24.760 1.00 25.54 C ATOM 513 CD GLU A 33 -4.170 35.046 25.484 1.00 74.33 C ATOM 514 OE1 GLU A 33 -5.382 35.348 25.491 1.00 33.33 O ATOM 515 OE2 GLU A 33 -3.290 35.733 26.042 1.00 63.14 O ATOM 0 H GLU A 33 -6.490 31.382 22.519 1.00 44.05 H new ATOM 0 HA GLU A 33 -5.964 32.632 25.108 1.00 60.25 H new ATOM 0 HB2 GLU A 33 -4.130 32.795 22.901 1.00 4.23 H new ATOM 0 HB3 GLU A 33 -4.915 34.354 23.060 1.00 4.23 H new ATOM 0 HG2 GLU A 33 -3.737 32.951 25.465 1.00 25.54 H new ATOM 0 HG3 GLU A 33 -2.730 33.902 24.391 1.00 25.54 H new ATOM 522 N ILE A 34 -7.449 33.616 22.320 1.00 14.04 N ATOM 523 CA ILE A 34 -8.573 34.386 21.802 1.00 14.15 C ATOM 524 C ILE A 34 -8.869 34.020 20.352 1.00 44.11 C ATOM 525 O ILE A 34 -10.027 33.945 19.944 1.00 64.04 O ATOM 526 CB ILE A 34 -8.308 35.900 21.894 1.00 11.53 C ATOM 527 CG1 ILE A 34 -9.482 36.683 21.302 1.00 33.23 C ATOM 528 CG2 ILE A 34 -7.013 36.256 21.179 1.00 74.34 C ATOM 529 CD1 ILE A 34 -9.898 37.873 22.138 1.00 0.11 C ATOM 0 H ILE A 34 -6.918 33.114 21.609 1.00 14.04 H new ATOM 0 HA ILE A 34 -9.436 34.138 22.420 1.00 14.15 H new ATOM 0 HB ILE A 34 -8.207 36.172 22.945 1.00 11.53 H new ATOM 0 HG12 ILE A 34 -9.212 37.027 20.304 1.00 33.23 H new ATOM 0 HG13 ILE A 34 -10.334 36.013 21.188 1.00 33.23 H new ATOM 0 HG21 ILE A 34 -6.840 37.330 21.253 1.00 74.34 H new ATOM 0 HG22 ILE A 34 -6.183 35.722 21.642 1.00 74.34 H new ATOM 0 HG23 ILE A 34 -7.087 35.972 20.129 1.00 74.34 H new ATOM 0 HD11 ILE A 34 -10.735 38.380 21.658 1.00 0.11 H new ATOM 0 HD12 ILE A 34 -10.200 37.534 23.129 1.00 0.11 H new ATOM 0 HD13 ILE A 34 -9.060 38.564 22.230 1.00 0.11 H new ATOM 541 N ASN A 35 -7.812 33.792 19.578 1.00 34.42 N ATOM 542 CA ASN A 35 -7.958 33.432 18.172 1.00 32.45 C ATOM 543 C ASN A 35 -6.910 32.401 17.763 1.00 33.03 C ATOM 544 O ASN A 35 -6.372 32.452 16.657 1.00 42.53 O ATOM 545 CB ASN A 35 -7.837 34.676 17.291 1.00 53.13 C ATOM 546 CG ASN A 35 -8.894 34.719 16.203 1.00 4.14 C ATOM 547 OD1 ASN A 35 -8.581 34.895 15.026 1.00 53.33 O ATOM 548 ND2 ASN A 35 -10.152 34.558 16.595 1.00 53.21 N ATOM 0 H ASN A 35 -6.846 33.850 19.901 1.00 34.42 H new ATOM 0 HA ASN A 35 -8.946 32.993 18.035 1.00 32.45 H new ATOM 0 HB2 ASN A 35 -7.922 35.568 17.912 1.00 53.13 H new ATOM 0 HB3 ASN A 35 -6.848 34.699 16.834 1.00 53.13 H new ATOM 0 HD21 ASN A 35 -10.906 34.577 15.909 1.00 53.21 H new ATOM 0 HD22 ASN A 35 -10.364 34.415 17.582 1.00 53.21 H new ATOM 555 N LEU A 36 -6.626 31.465 18.663 1.00 51.54 N ATOM 556 CA LEU A 36 -5.643 30.421 18.396 1.00 50.22 C ATOM 557 C LEU A 36 -6.138 29.472 17.310 1.00 73.34 C ATOM 558 O LEU A 36 -5.432 29.200 16.340 1.00 62.31 O ATOM 559 CB LEU A 36 -5.342 29.638 19.675 1.00 44.21 C ATOM 560 CG LEU A 36 -4.304 28.522 19.550 1.00 74.33 C ATOM 561 CD1 LEU A 36 -4.945 27.258 18.997 1.00 65.04 C ATOM 562 CD2 LEU A 36 -3.147 28.966 18.667 1.00 22.42 C ATOM 0 H LEU A 36 -7.062 31.408 19.583 1.00 51.54 H new ATOM 0 HA LEU A 36 -4.728 30.899 18.046 1.00 50.22 H new ATOM 0 HB2 LEU A 36 -5.001 30.340 20.436 1.00 44.21 H new ATOM 0 HB3 LEU A 36 -6.273 29.202 20.038 1.00 44.21 H new ATOM 0 HG LEU A 36 -3.913 28.302 20.543 1.00 74.33 H new ATOM 0 HD11 LEU A 36 -4.192 26.474 18.915 1.00 65.04 H new ATOM 0 HD12 LEU A 36 -5.739 26.929 19.668 1.00 65.04 H new ATOM 0 HD13 LEU A 36 -5.364 27.464 18.012 1.00 65.04 H new ATOM 0 HD21 LEU A 36 -2.418 28.159 18.589 1.00 22.42 H new ATOM 0 HD22 LEU A 36 -3.521 29.213 17.674 1.00 22.42 H new ATOM 0 HD23 LEU A 36 -2.671 29.844 19.105 1.00 22.42 H new ATOM 574 N ASN A 37 -7.358 28.972 17.479 1.00 54.33 N ATOM 575 CA ASN A 37 -7.949 28.054 16.512 1.00 53.33 C ATOM 576 C ASN A 37 -8.007 28.688 15.125 1.00 10.10 C ATOM 577 O ASN A 37 -8.110 27.990 14.116 1.00 4.11 O ATOM 578 CB ASN A 37 -9.355 27.647 16.957 1.00 30.43 C ATOM 579 CG ASN A 37 -9.610 26.162 16.780 1.00 40.21 C ATOM 580 OD1 ASN A 37 -9.693 25.665 15.657 1.00 43.23 O ATOM 581 ND2 ASN A 37 -9.736 25.447 17.892 1.00 70.25 N ATOM 0 H ASN A 37 -7.956 29.187 18.276 1.00 54.33 H new ATOM 0 HA ASN A 37 -7.320 27.166 16.461 1.00 53.33 H new ATOM 0 HB2 ASN A 37 -9.493 27.914 18.005 1.00 30.43 H new ATOM 0 HB3 ASN A 37 -10.092 28.210 16.384 1.00 30.43 H new ATOM 0 HD21 ASN A 37 -9.909 24.443 17.836 1.00 70.25 H new ATOM 0 HD22 ASN A 37 -9.660 25.902 18.802 1.00 70.25 H new ATOM 588 N ASP A 38 -7.940 30.014 15.084 1.00 42.15 N ATOM 589 CA ASP A 38 -7.983 30.743 13.821 1.00 63.30 C ATOM 590 C ASP A 38 -6.605 30.778 13.167 1.00 70.42 C ATOM 591 O ASP A 38 -6.434 30.336 12.030 1.00 43.32 O ATOM 592 CB ASP A 38 -8.490 32.168 14.047 1.00 61.20 C ATOM 593 CG ASP A 38 -9.769 32.455 13.285 1.00 63.20 C ATOM 594 OD1 ASP A 38 -10.848 32.041 13.759 1.00 63.45 O ATOM 595 OD2 ASP A 38 -9.691 33.094 12.216 1.00 43.55 O ATOM 0 H ASP A 38 -7.856 30.606 15.910 1.00 42.15 H new ATOM 0 HA ASP A 38 -8.670 30.223 13.153 1.00 63.30 H new ATOM 0 HB2 ASP A 38 -8.662 32.325 15.112 1.00 61.20 H new ATOM 0 HB3 ASP A 38 -7.721 32.877 13.741 1.00 61.20 H new ATOM 600 N THR A 39 -5.624 31.307 13.892 1.00 72.51 N ATOM 601 CA THR A 39 -4.262 31.401 13.382 1.00 53.52 C ATOM 602 C THR A 39 -3.742 30.037 12.945 1.00 33.42 C ATOM 603 O THR A 39 -3.242 29.879 11.831 1.00 34.12 O ATOM 604 CB THR A 39 -3.307 31.989 14.438 1.00 64.44 C ATOM 605 OG1 THR A 39 -4.058 32.579 15.504 1.00 41.41 O ATOM 606 CG2 THR A 39 -2.390 33.032 13.817 1.00 11.22 C ATOM 0 H THR A 39 -5.748 31.677 14.834 1.00 72.51 H new ATOM 0 HA THR A 39 -4.293 32.067 12.520 1.00 53.52 H new ATOM 0 HB THR A 39 -2.694 31.179 14.833 1.00 64.44 H new ATOM 0 HG1 THR A 39 -3.443 32.949 16.172 1.00 41.41 H new ATOM 0 HG21 THR A 39 -1.725 33.433 14.582 1.00 11.22 H new ATOM 0 HG22 THR A 39 -1.798 32.571 13.026 1.00 11.22 H new ATOM 0 HG23 THR A 39 -2.989 33.840 13.398 1.00 11.22 H new ATOM 614 N PHE A 40 -3.864 29.052 13.829 1.00 24.13 N ATOM 615 CA PHE A 40 -3.405 27.699 13.535 1.00 52.33 C ATOM 616 C PHE A 40 -4.130 27.132 12.318 1.00 55.11 C ATOM 617 O PHE A 40 -3.529 26.458 11.482 1.00 42.14 O ATOM 618 CB PHE A 40 -3.626 26.789 14.744 1.00 24.53 C ATOM 619 CG PHE A 40 -2.775 25.551 14.726 1.00 44.01 C ATOM 620 CD1 PHE A 40 -1.409 25.636 14.506 1.00 54.35 C ATOM 621 CD2 PHE A 40 -3.340 24.302 14.929 1.00 51.44 C ATOM 622 CE1 PHE A 40 -0.623 24.499 14.488 1.00 13.53 C ATOM 623 CE2 PHE A 40 -2.559 23.162 14.913 1.00 50.30 C ATOM 624 CZ PHE A 40 -1.199 23.261 14.691 1.00 32.23 C ATOM 0 H PHE A 40 -4.277 29.165 14.755 1.00 24.13 H new ATOM 0 HA PHE A 40 -2.339 27.744 13.313 1.00 52.33 H new ATOM 0 HB2 PHE A 40 -3.417 27.351 15.654 1.00 24.53 H new ATOM 0 HB3 PHE A 40 -4.676 26.498 14.783 1.00 24.53 H new ATOM 0 HD1 PHE A 40 -0.953 26.602 14.347 1.00 54.35 H new ATOM 0 HD2 PHE A 40 -4.403 24.219 15.102 1.00 51.44 H new ATOM 0 HE1 PHE A 40 0.440 24.579 14.315 1.00 13.53 H new ATOM 0 HE2 PHE A 40 -3.011 22.195 15.074 1.00 50.30 H new ATOM 0 HZ PHE A 40 -0.587 22.371 14.676 1.00 32.23 H new ATOM 634 N ASP A 41 -5.426 27.410 12.227 1.00 74.41 N ATOM 635 CA ASP A 41 -6.235 26.928 11.113 1.00 40.21 C ATOM 636 C ASP A 41 -5.676 27.422 9.782 1.00 11.53 C ATOM 637 O ASP A 41 -5.299 26.628 8.921 1.00 61.54 O ATOM 638 CB ASP A 41 -7.686 27.386 11.273 1.00 64.15 C ATOM 639 CG ASP A 41 -8.565 26.317 11.891 1.00 72.04 C ATOM 640 OD1 ASP A 41 -9.779 26.303 11.596 1.00 41.04 O ATOM 641 OD2 ASP A 41 -8.040 25.494 12.669 1.00 61.23 O ATOM 0 H ASP A 41 -5.939 27.966 12.911 1.00 74.41 H new ATOM 0 HA ASP A 41 -6.204 25.838 11.118 1.00 40.21 H new ATOM 0 HB2 ASP A 41 -7.715 28.281 11.895 1.00 64.15 H new ATOM 0 HB3 ASP A 41 -8.086 27.663 10.298 1.00 64.15 H new ATOM 646 N THR A 42 -5.627 28.741 9.620 1.00 5.11 N ATOM 647 CA THR A 42 -5.116 29.342 8.394 1.00 33.22 C ATOM 648 C THR A 42 -3.683 28.901 8.121 1.00 60.30 C ATOM 649 O THR A 42 -3.229 28.906 6.977 1.00 44.13 O ATOM 650 CB THR A 42 -5.164 30.880 8.460 1.00 13.01 C ATOM 651 OG1 THR A 42 -5.441 31.418 7.162 1.00 65.41 O ATOM 652 CG2 THR A 42 -3.848 31.441 8.977 1.00 31.22 C ATOM 0 H THR A 42 -5.935 29.413 10.323 1.00 5.11 H new ATOM 0 HA THR A 42 -5.759 29.000 7.583 1.00 33.22 H new ATOM 0 HB THR A 42 -5.958 31.167 9.149 1.00 13.01 H new ATOM 0 HG1 THR A 42 -5.471 32.396 7.213 1.00 65.41 H new ATOM 0 HG21 THR A 42 -3.906 32.529 9.015 1.00 31.22 H new ATOM 0 HG22 THR A 42 -3.655 31.053 9.977 1.00 31.22 H new ATOM 0 HG23 THR A 42 -3.039 31.144 8.310 1.00 31.22 H new ATOM 660 N PHE A 43 -2.975 28.518 9.178 1.00 2.14 N ATOM 661 CA PHE A 43 -1.592 28.074 9.052 1.00 24.20 C ATOM 662 C PHE A 43 -1.525 26.658 8.487 1.00 22.23 C ATOM 663 O PHE A 43 -0.837 26.404 7.499 1.00 40.22 O ATOM 664 CB PHE A 43 -0.891 28.127 10.411 1.00 24.50 C ATOM 665 CG PHE A 43 0.604 28.010 10.319 1.00 1.14 C ATOM 666 CD1 PHE A 43 1.307 27.221 11.216 1.00 50.05 C ATOM 667 CD2 PHE A 43 1.306 28.690 9.337 1.00 2.14 C ATOM 668 CE1 PHE A 43 2.682 27.111 11.134 1.00 44.32 C ATOM 669 CE2 PHE A 43 2.681 28.584 9.250 1.00 25.15 C ATOM 670 CZ PHE A 43 3.371 27.795 10.151 1.00 75.45 C ATOM 0 H PHE A 43 -3.336 28.506 10.132 1.00 2.14 H new ATOM 0 HA PHE A 43 -1.082 28.746 8.362 1.00 24.20 H new ATOM 0 HB2 PHE A 43 -1.144 29.065 10.905 1.00 24.50 H new ATOM 0 HB3 PHE A 43 -1.273 27.322 11.039 1.00 24.50 H new ATOM 0 HD1 PHE A 43 0.774 26.686 11.988 1.00 50.05 H new ATOM 0 HD2 PHE A 43 0.773 29.310 8.632 1.00 2.14 H new ATOM 0 HE1 PHE A 43 3.218 26.491 11.838 1.00 44.32 H new ATOM 0 HE2 PHE A 43 3.216 29.117 8.478 1.00 25.15 H new ATOM 0 HZ PHE A 43 4.446 27.713 10.087 1.00 75.45 H new ATOM 680 N ALA A 44 -2.244 25.739 9.123 1.00 31.03 N ATOM 681 CA ALA A 44 -2.268 24.349 8.684 1.00 12.25 C ATOM 682 C ALA A 44 -2.979 24.209 7.342 1.00 3.55 C ATOM 683 O ALA A 44 -2.473 23.561 6.425 1.00 33.13 O ATOM 684 CB ALA A 44 -2.941 23.476 9.733 1.00 2.14 C ATOM 0 H ALA A 44 -2.818 25.932 9.944 1.00 31.03 H new ATOM 0 HA ALA A 44 -1.238 24.016 8.556 1.00 12.25 H new ATOM 0 HB1 ALA A 44 -2.952 22.441 9.392 1.00 2.14 H new ATOM 0 HB2 ALA A 44 -2.389 23.543 10.671 1.00 2.14 H new ATOM 0 HB3 ALA A 44 -3.964 23.818 9.889 1.00 2.14 H new ATOM 690 N LEU A 45 -4.153 24.821 7.234 1.00 72.42 N ATOM 691 CA LEU A 45 -4.934 24.764 6.003 1.00 32.20 C ATOM 692 C LEU A 45 -4.064 25.080 4.791 1.00 70.22 C ATOM 693 O LEU A 45 -3.912 24.253 3.891 1.00 50.41 O ATOM 694 CB LEU A 45 -6.106 25.745 6.074 1.00 61.34 C ATOM 695 CG LEU A 45 -6.608 26.288 4.735 1.00 4.44 C ATOM 696 CD1 LEU A 45 -6.952 25.147 3.791 1.00 15.21 C ATOM 697 CD2 LEU A 45 -7.814 27.192 4.945 1.00 3.34 C ATOM 0 H LEU A 45 -4.585 25.362 7.983 1.00 72.42 H new ATOM 0 HA LEU A 45 -5.322 23.751 5.894 1.00 32.20 H new ATOM 0 HB2 LEU A 45 -6.937 25.251 6.578 1.00 61.34 H new ATOM 0 HB3 LEU A 45 -5.811 26.589 6.698 1.00 61.34 H new ATOM 0 HG LEU A 45 -5.811 26.878 4.282 1.00 4.44 H new ATOM 0 HD11 LEU A 45 -7.307 25.553 2.844 1.00 15.21 H new ATOM 0 HD12 LEU A 45 -6.064 24.540 3.615 1.00 15.21 H new ATOM 0 HD13 LEU A 45 -7.732 24.529 4.236 1.00 15.21 H new ATOM 0 HD21 LEU A 45 -8.158 27.569 3.982 1.00 3.34 H new ATOM 0 HD22 LEU A 45 -8.615 26.625 5.420 1.00 3.34 H new ATOM 0 HD23 LEU A 45 -7.534 28.030 5.584 1.00 3.34 H new ATOM 709 N ASP A 46 -3.494 26.279 4.775 1.00 4.42 N ATOM 710 CA ASP A 46 -2.635 26.704 3.675 1.00 34.32 C ATOM 711 C ASP A 46 -1.620 25.619 3.329 1.00 40.23 C ATOM 712 O ASP A 46 -1.451 25.263 2.163 1.00 65.55 O ATOM 713 CB ASP A 46 -1.911 28.001 4.037 1.00 41.34 C ATOM 714 CG ASP A 46 -1.895 28.994 2.891 1.00 14.10 C ATOM 715 OD1 ASP A 46 -2.168 30.188 3.136 1.00 3.25 O ATOM 716 OD2 ASP A 46 -1.610 28.577 1.749 1.00 11.31 O ATOM 0 H ASP A 46 -3.611 26.975 5.511 1.00 4.42 H new ATOM 0 HA ASP A 46 -3.264 26.880 2.802 1.00 34.32 H new ATOM 0 HB2 ASP A 46 -2.396 28.455 4.901 1.00 41.34 H new ATOM 0 HB3 ASP A 46 -0.886 27.772 4.330 1.00 41.34 H new ATOM 721 N PHE A 47 -0.946 25.099 4.349 1.00 0.11 N ATOM 722 CA PHE A 47 0.055 24.057 4.152 1.00 34.45 C ATOM 723 C PHE A 47 -0.552 22.846 3.449 1.00 33.03 C ATOM 724 O PHE A 47 0.012 22.327 2.486 1.00 32.43 O ATOM 725 CB PHE A 47 0.652 23.634 5.496 1.00 20.41 C ATOM 726 CG PHE A 47 2.060 24.114 5.704 1.00 51.01 C ATOM 727 CD1 PHE A 47 3.066 23.753 4.823 1.00 64.01 C ATOM 728 CD2 PHE A 47 2.377 24.926 6.781 1.00 52.32 C ATOM 729 CE1 PHE A 47 4.363 24.194 5.011 1.00 31.40 C ATOM 730 CE2 PHE A 47 3.671 25.370 6.974 1.00 43.32 C ATOM 731 CZ PHE A 47 4.666 25.003 6.089 1.00 72.44 C ATOM 0 H PHE A 47 -1.075 25.382 5.320 1.00 0.11 H new ATOM 0 HA PHE A 47 0.846 24.462 3.522 1.00 34.45 H new ATOM 0 HB2 PHE A 47 0.024 24.017 6.300 1.00 20.41 H new ATOM 0 HB3 PHE A 47 0.633 22.546 5.567 1.00 20.41 H new ATOM 0 HD1 PHE A 47 2.835 23.120 3.979 1.00 64.01 H new ATOM 0 HD2 PHE A 47 1.604 25.215 7.477 1.00 52.32 H new ATOM 0 HE1 PHE A 47 5.138 23.906 4.316 1.00 31.40 H new ATOM 0 HE2 PHE A 47 3.904 26.004 7.817 1.00 43.32 H new ATOM 0 HZ PHE A 47 5.678 25.348 6.239 1.00 72.44 H new ATOM 741 N SER A 48 -1.705 22.402 3.938 1.00 35.55 N ATOM 742 CA SER A 48 -2.388 21.250 3.361 1.00 63.53 C ATOM 743 C SER A 48 -2.571 21.425 1.856 1.00 13.13 C ATOM 744 O SER A 48 -2.298 20.513 1.076 1.00 45.21 O ATOM 745 CB SER A 48 -3.747 21.046 4.032 1.00 55.05 C ATOM 746 OG SER A 48 -4.671 20.446 3.140 1.00 31.53 O ATOM 0 H SER A 48 -2.186 22.823 4.733 1.00 35.55 H new ATOM 0 HA SER A 48 -1.771 20.369 3.534 1.00 63.53 H new ATOM 0 HB2 SER A 48 -3.629 20.418 4.915 1.00 55.05 H new ATOM 0 HB3 SER A 48 -4.136 22.006 4.372 1.00 55.05 H new ATOM 0 HG SER A 48 -5.531 20.325 3.593 1.00 31.53 H new ATOM 752 N ARG A 49 -3.037 22.604 1.457 1.00 3.21 N ATOM 753 CA ARG A 49 -3.259 22.900 0.047 1.00 44.31 C ATOM 754 C ARG A 49 -2.038 22.521 -0.787 1.00 11.32 C ATOM 755 O ARG A 49 -2.166 21.930 -1.858 1.00 33.50 O ATOM 756 CB ARG A 49 -3.577 24.385 -0.141 1.00 24.14 C ATOM 757 CG ARG A 49 -4.359 24.685 -1.409 1.00 20.23 C ATOM 758 CD ARG A 49 -3.664 25.739 -2.256 1.00 1.00 C ATOM 759 NE ARG A 49 -4.618 26.601 -2.949 1.00 20.23 N ATOM 760 CZ ARG A 49 -4.262 27.646 -3.687 1.00 54.13 C ATOM 761 NH1 ARG A 49 -2.981 27.957 -3.829 1.00 13.24 N ATOM 762 NH2 ARG A 49 -5.189 28.382 -4.287 1.00 13.52 N ATOM 0 H ARG A 49 -3.268 23.370 2.090 1.00 3.21 H new ATOM 0 HA ARG A 49 -4.108 22.308 -0.293 1.00 44.31 H new ATOM 0 HB2 ARG A 49 -4.147 24.737 0.719 1.00 24.14 H new ATOM 0 HB3 ARG A 49 -2.644 24.948 -0.158 1.00 24.14 H new ATOM 0 HG2 ARG A 49 -4.477 23.770 -1.990 1.00 20.23 H new ATOM 0 HG3 ARG A 49 -5.360 25.029 -1.148 1.00 20.23 H new ATOM 0 HD2 ARG A 49 -3.020 26.348 -1.621 1.00 1.00 H new ATOM 0 HD3 ARG A 49 -3.020 25.250 -2.987 1.00 1.00 H new ATOM 0 HE ARG A 49 -5.612 26.389 -2.861 1.00 20.23 H new ATOM 0 HH11 ARG A 49 -2.265 27.393 -3.371 1.00 13.24 H new ATOM 0 HH12 ARG A 49 -2.711 28.760 -4.397 1.00 13.24 H new ATOM 0 HH21 ARG A 49 -6.175 28.145 -4.181 1.00 13.52 H new ATOM 0 HH22 ARG A 49 -4.915 29.185 -4.854 1.00 13.52 H new ATOM 776 N GLU A 50 -0.856 22.867 -0.287 1.00 42.41 N ATOM 777 CA GLU A 50 0.387 22.564 -0.987 1.00 50.42 C ATOM 778 C GLU A 50 0.733 21.083 -0.865 1.00 3.35 C ATOM 779 O GLU A 50 1.376 20.509 -1.744 1.00 3.14 O ATOM 780 CB GLU A 50 1.531 23.415 -0.432 1.00 25.31 C ATOM 781 CG GLU A 50 2.326 24.141 -1.504 1.00 62.44 C ATOM 782 CD GLU A 50 3.747 23.626 -1.626 1.00 63.12 C ATOM 783 OE1 GLU A 50 4.676 24.459 -1.684 1.00 23.31 O ATOM 784 OE2 GLU A 50 3.931 22.391 -1.664 1.00 53.41 O ATOM 0 H GLU A 50 -0.733 23.357 0.599 1.00 42.41 H new ATOM 0 HA GLU A 50 0.247 22.800 -2.042 1.00 50.42 H new ATOM 0 HB2 GLU A 50 1.123 24.148 0.264 1.00 25.31 H new ATOM 0 HB3 GLU A 50 2.205 22.775 0.138 1.00 25.31 H new ATOM 0 HG2 GLU A 50 1.820 24.031 -2.463 1.00 62.44 H new ATOM 0 HG3 GLU A 50 2.348 25.207 -1.276 1.00 62.44 H new ATOM 791 N LYS A 51 0.303 20.470 0.233 1.00 53.03 N ATOM 792 CA LYS A 51 0.565 19.056 0.473 1.00 62.05 C ATOM 793 C LYS A 51 -0.062 18.194 -0.618 1.00 32.40 C ATOM 794 O LYS A 51 0.470 17.142 -0.976 1.00 12.51 O ATOM 795 CB LYS A 51 0.022 18.640 1.842 1.00 44.43 C ATOM 796 CG LYS A 51 -1.216 17.764 1.765 1.00 63.14 C ATOM 797 CD LYS A 51 -1.911 17.661 3.112 1.00 51.42 C ATOM 798 CE LYS A 51 -3.415 17.844 2.978 1.00 51.41 C ATOM 799 NZ LYS A 51 -4.137 16.542 3.009 1.00 12.44 N ATOM 0 H LYS A 51 -0.229 20.931 0.971 1.00 53.03 H new ATOM 0 HA LYS A 51 1.644 18.904 0.456 1.00 62.05 H new ATOM 0 HB2 LYS A 51 0.801 18.106 2.386 1.00 44.43 H new ATOM 0 HB3 LYS A 51 -0.212 19.535 2.418 1.00 44.43 H new ATOM 0 HG2 LYS A 51 -1.907 18.173 1.028 1.00 63.14 H new ATOM 0 HG3 LYS A 51 -0.937 16.768 1.421 1.00 63.14 H new ATOM 0 HD2 LYS A 51 -1.700 16.689 3.558 1.00 51.42 H new ATOM 0 HD3 LYS A 51 -1.510 18.416 3.788 1.00 51.42 H new ATOM 0 HE2 LYS A 51 -3.777 18.479 3.786 1.00 51.41 H new ATOM 0 HE3 LYS A 51 -3.636 18.360 2.044 1.00 51.41 H new ATOM 0 HZ1 LYS A 51 -5.159 16.710 2.915 1.00 12.44 H new ATOM 0 HZ2 LYS A 51 -3.810 15.945 2.223 1.00 12.44 H new ATOM 0 HZ3 LYS A 51 -3.947 16.061 3.911 1.00 12.44 H new ATOM 813 N LYS A 52 -1.196 18.645 -1.144 1.00 43.00 N ATOM 814 CA LYS A 52 -1.895 17.917 -2.196 1.00 60.10 C ATOM 815 C LYS A 52 -1.261 18.185 -3.557 1.00 65.51 C ATOM 816 O LYS A 52 -0.888 17.254 -4.274 1.00 12.44 O ATOM 817 CB LYS A 52 -3.373 18.313 -2.224 1.00 2.45 C ATOM 818 CG LYS A 52 -4.142 17.880 -0.987 1.00 41.25 C ATOM 819 CD LYS A 52 -5.289 18.829 -0.683 1.00 41.23 C ATOM 820 CE LYS A 52 -6.365 18.764 -1.756 1.00 14.32 C ATOM 821 NZ LYS A 52 -6.246 19.884 -2.730 1.00 41.12 N ATOM 0 H LYS A 52 -1.651 19.512 -0.858 1.00 43.00 H new ATOM 0 HA LYS A 52 -1.814 16.852 -1.980 1.00 60.10 H new ATOM 0 HB2 LYS A 52 -3.449 19.395 -2.328 1.00 2.45 H new ATOM 0 HB3 LYS A 52 -3.842 17.874 -3.105 1.00 2.45 H new ATOM 0 HG2 LYS A 52 -4.531 16.872 -1.134 1.00 41.25 H new ATOM 0 HG3 LYS A 52 -3.466 17.839 -0.133 1.00 41.25 H new ATOM 0 HD2 LYS A 52 -5.723 18.578 0.285 1.00 41.23 H new ATOM 0 HD3 LYS A 52 -4.909 19.848 -0.608 1.00 41.23 H new ATOM 0 HE2 LYS A 52 -6.293 17.814 -2.285 1.00 14.32 H new ATOM 0 HE3 LYS A 52 -7.348 18.794 -1.286 1.00 14.32 H new ATOM 0 HZ1 LYS A 52 -7.039 20.544 -2.599 1.00 41.12 H new ATOM 0 HZ2 LYS A 52 -5.349 20.386 -2.574 1.00 41.12 H new ATOM 0 HZ3 LYS A 52 -6.267 19.506 -3.698 1.00 41.12 H new ATOM 835 N LEU A 53 -1.139 19.460 -3.907 1.00 40.23 N ATOM 836 CA LEU A 53 -0.548 19.850 -5.183 1.00 5.45 C ATOM 837 C LEU A 53 0.800 19.166 -5.390 1.00 0.52 C ATOM 838 O LEU A 53 1.228 18.945 -6.523 1.00 42.14 O ATOM 839 CB LEU A 53 -0.376 21.369 -5.244 1.00 53.22 C ATOM 840 CG LEU A 53 -1.092 22.079 -6.394 1.00 14.35 C ATOM 841 CD1 LEU A 53 -1.263 23.558 -6.084 1.00 0.44 C ATOM 842 CD2 LEU A 53 -0.329 21.890 -7.696 1.00 5.11 C ATOM 0 H LEU A 53 -1.441 20.242 -3.326 1.00 40.23 H new ATOM 0 HA LEU A 53 -1.222 19.534 -5.980 1.00 5.45 H new ATOM 0 HB2 LEU A 53 -0.731 21.793 -4.305 1.00 53.22 H new ATOM 0 HB3 LEU A 53 0.689 21.592 -5.312 1.00 53.22 H new ATOM 0 HG LEU A 53 -2.081 21.636 -6.509 1.00 14.35 H new ATOM 0 HD11 LEU A 53 -1.774 24.047 -6.913 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -1.853 23.673 -5.175 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -0.284 24.015 -5.941 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -0.854 22.402 -8.503 1.00 5.11 H new ATOM 0 HD22 LEU A 53 0.674 22.305 -7.594 1.00 5.11 H new ATOM 0 HD23 LEU A 53 -0.259 20.827 -7.926 1.00 5.11 H new ATOM 854 N LEU A 54 1.463 18.832 -4.289 1.00 3.15 N ATOM 855 CA LEU A 54 2.762 18.170 -4.349 1.00 1.41 C ATOM 856 C LEU A 54 2.610 16.709 -4.757 1.00 21.54 C ATOM 857 O LEU A 54 3.161 16.277 -5.769 1.00 35.42 O ATOM 858 CB LEU A 54 3.467 18.263 -2.995 1.00 2.44 C ATOM 859 CG LEU A 54 4.789 17.505 -2.873 1.00 24.12 C ATOM 860 CD1 LEU A 54 4.539 16.052 -2.500 1.00 11.03 C ATOM 861 CD2 LEU A 54 5.578 17.596 -4.171 1.00 71.21 C ATOM 0 H LEU A 54 1.123 19.008 -3.344 1.00 3.15 H new ATOM 0 HA LEU A 54 3.366 18.677 -5.101 1.00 1.41 H new ATOM 0 HB2 LEU A 54 3.653 19.315 -2.776 1.00 2.44 H new ATOM 0 HB3 LEU A 54 2.787 17.893 -2.228 1.00 2.44 H new ATOM 0 HG LEU A 54 5.378 17.966 -2.080 1.00 24.12 H new ATOM 0 HD11 LEU A 54 5.491 15.528 -2.418 1.00 11.03 H new ATOM 0 HD12 LEU A 54 4.016 16.006 -1.545 1.00 11.03 H new ATOM 0 HD13 LEU A 54 3.930 15.578 -3.270 1.00 11.03 H new ATOM 0 HD21 LEU A 54 6.516 17.051 -4.066 1.00 71.21 H new ATOM 0 HD22 LEU A 54 4.995 17.161 -4.983 1.00 71.21 H new ATOM 0 HD23 LEU A 54 5.789 18.641 -4.396 1.00 71.21 H new ATOM 873 N GLU A 55 1.858 15.953 -3.962 1.00 60.03 N ATOM 874 CA GLU A 55 1.633 14.540 -4.242 1.00 72.24 C ATOM 875 C GLU A 55 1.083 14.345 -5.653 1.00 5.43 C ATOM 876 O GLU A 55 1.581 13.516 -6.415 1.00 73.31 O ATOM 877 CB GLU A 55 0.665 13.942 -3.219 1.00 53.23 C ATOM 878 CG GLU A 55 0.614 12.424 -3.244 1.00 20.23 C ATOM 879 CD GLU A 55 -0.776 11.882 -2.973 1.00 11.02 C ATOM 880 OE1 GLU A 55 -1.389 12.298 -1.967 1.00 43.11 O ATOM 881 OE2 GLU A 55 -1.251 11.042 -3.765 1.00 51.45 O ATOM 0 H GLU A 55 1.395 16.296 -3.120 1.00 60.03 H new ATOM 0 HA GLU A 55 2.591 14.025 -4.170 1.00 72.24 H new ATOM 0 HB2 GLU A 55 0.955 14.271 -2.221 1.00 53.23 H new ATOM 0 HB3 GLU A 55 -0.335 14.334 -3.405 1.00 53.23 H new ATOM 0 HG2 GLU A 55 0.955 12.069 -4.216 1.00 20.23 H new ATOM 0 HG3 GLU A 55 1.305 12.029 -2.500 1.00 20.23 H new