USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0.843 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -173:sc= 1.78 (180deg=0.832) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.578 K(o=1.5,f=-3.5!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.944 USER MOD Single : A 2 THR OG1 : rot -29:sc= 0.596 USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0.469 (180deg=0.338) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0653 X(o=-0.065,f=-0.00096) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -3.01 K(o=-3,f=-11!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 48 ASN : amide:sc= -0.261 K(o=-0.26,f=-3.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -65:sc= 1.53 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0658 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= 1.2 (180deg=0.987) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -123:sc= 1.16 (180deg=0.204) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.593 10.193 8.186 1.00 10.00 N ATOM 20 CA THR A 2 -7.698 9.490 7.278 1.00 10.00 C ATOM 21 C THR A 2 -7.853 9.954 5.825 1.00 10.00 C ATOM 22 O THR A 2 -8.955 10.049 5.269 1.00 10.00 O ATOM 23 CB THR A 2 -7.969 7.993 7.435 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.368 7.793 7.533 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.302 7.507 8.726 1.00 10.00 C ATOM 0 HA THR A 2 -6.663 9.714 7.535 1.00 10.00 H new ATOM 0 HB THR A 2 -7.573 7.444 6.581 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.785 8.587 7.929 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.487 6.440 8.852 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.228 7.685 8.670 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.716 8.049 9.576 1.00 10.00 H new ATOM 33 N GLU A 3 -6.713 10.222 5.197 1.00 10.00 N ATOM 34 CA GLU A 3 -6.625 10.599 3.807 1.00 10.00 C ATOM 35 C GLU A 3 -6.659 9.319 2.973 1.00 10.00 C ATOM 36 O GLU A 3 -6.530 8.221 3.512 1.00 10.00 O ATOM 37 CB GLU A 3 -5.335 11.400 3.616 1.00 10.00 C ATOM 38 CG GLU A 3 -5.496 12.576 2.652 1.00 10.00 C ATOM 39 CD GLU A 3 -4.307 13.511 2.820 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.194 13.075 2.462 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.523 14.600 3.394 1.00 10.00 O ATOM 0 H GLU A 3 -5.806 10.179 5.661 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.456 11.228 3.487 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.000 11.774 4.583 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.554 10.737 3.243 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -5.552 12.217 1.624 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.426 13.107 2.856 1.00 10.00 H new ATOM 48 N LYS A 4 -6.914 9.461 1.675 1.00 10.00 N ATOM 49 CA LYS A 4 -6.918 8.377 0.715 1.00 10.00 C ATOM 50 C LYS A 4 -5.641 8.515 -0.109 1.00 10.00 C ATOM 51 O LYS A 4 -5.213 9.634 -0.368 1.00 10.00 O ATOM 52 CB LYS A 4 -8.164 8.531 -0.169 1.00 10.00 C ATOM 53 CG LYS A 4 -9.331 7.663 0.307 1.00 10.00 C ATOM 54 CD LYS A 4 -9.903 7.900 1.720 1.00 10.00 C ATOM 55 CE LYS A 4 -10.692 9.211 1.870 1.00 10.00 C ATOM 56 NZ LYS A 4 -9.872 10.306 2.429 1.00 10.00 N ATOM 0 H LYS A 4 -7.130 10.366 1.256 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.947 7.395 1.188 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.473 9.576 -0.177 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -7.912 8.265 -1.196 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.147 7.787 -0.405 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -9.013 6.622 0.249 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.554 7.066 1.981 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.082 7.899 2.437 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.078 9.512 0.896 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.553 9.041 2.516 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -10.480 11.124 2.636 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -9.414 9.984 3.305 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -9.144 10.582 1.739 1.00 10.00 H new ATOM 70 N ALA A 5 -5.032 7.399 -0.512 1.00 10.00 N ATOM 71 CA ALA A 5 -3.820 7.385 -1.313 1.00 10.00 C ATOM 72 C ALA A 5 -3.848 6.149 -2.209 1.00 10.00 C ATOM 73 O ALA A 5 -4.259 5.085 -1.751 1.00 10.00 O ATOM 74 CB ALA A 5 -2.615 7.373 -0.377 1.00 10.00 C ATOM 0 H ALA A 5 -5.378 6.467 -0.284 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.751 8.270 -1.946 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.697 7.362 -0.965 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.633 8.264 0.251 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.652 6.484 0.253 1.00 10.00 H new ATOM 80 N GLU A 6 -3.427 6.276 -3.470 1.00 10.00 N ATOM 81 CA GLU A 6 -3.318 5.171 -4.403 1.00 10.00 C ATOM 82 C GLU A 6 -1.884 5.055 -4.871 1.00 10.00 C ATOM 83 O GLU A 6 -1.196 6.068 -4.998 1.00 10.00 O ATOM 84 CB GLU A 6 -4.206 5.388 -5.622 1.00 10.00 C ATOM 85 CG GLU A 6 -5.646 4.985 -5.324 1.00 10.00 C ATOM 86 CD GLU A 6 -6.458 4.778 -6.594 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.971 5.191 -7.670 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.534 4.160 -6.455 1.00 10.00 O ATOM 0 H GLU A 6 -3.149 7.172 -3.871 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.636 4.263 -3.891 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.172 6.436 -5.920 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.827 4.805 -6.461 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.651 4.066 -4.738 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.118 5.755 -4.714 1.00 10.00 H new ATOM 95 N PHE A 7 -1.478 3.819 -5.152 1.00 10.00 N ATOM 96 CA PHE A 7 -0.122 3.447 -5.514 1.00 10.00 C ATOM 97 C PHE A 7 -0.169 2.418 -6.639 1.00 10.00 C ATOM 98 O PHE A 7 -1.075 1.582 -6.658 1.00 10.00 O ATOM 99 CB PHE A 7 0.626 2.885 -4.294 1.00 10.00 C ATOM 100 CG PHE A 7 0.533 3.704 -3.029 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.641 3.668 -2.260 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.630 4.466 -2.593 1.00 10.00 C ATOM 103 CE1 PHE A 7 -0.776 4.513 -1.152 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.517 5.260 -1.442 1.00 10.00 C ATOM 105 CZ PHE A 7 0.299 5.316 -0.741 1.00 10.00 C ATOM 0 H PHE A 7 -2.113 3.021 -5.132 1.00 10.00 H new ATOM 0 HA PHE A 7 0.417 4.330 -5.858 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.243 1.886 -4.086 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.678 2.775 -4.556 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.439 2.989 -2.523 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.559 4.440 -3.143 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -1.711 4.547 -0.612 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.366 5.829 -1.094 1.00 10.00 H new ATOM 0 HZ PHE A 7 0.192 5.973 0.109 1.00 10.00 H new ATOM 115 N ASP A 8 0.794 2.489 -7.563 1.00 10.00 N ATOM 116 CA ASP A 8 0.825 1.700 -8.796 1.00 10.00 C ATOM 117 C ASP A 8 1.967 0.676 -8.673 1.00 10.00 C ATOM 118 O ASP A 8 3.059 1.056 -8.245 1.00 10.00 O ATOM 119 CB ASP A 8 0.980 2.678 -9.978 1.00 10.00 C ATOM 120 CG ASP A 8 0.232 2.231 -11.230 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.651 1.215 -11.815 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.745 2.927 -11.600 1.00 10.00 O ATOM 0 H ASP A 8 1.595 3.114 -7.470 1.00 10.00 H new ATOM 0 HA ASP A 8 -0.090 1.134 -8.969 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.618 3.661 -9.678 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.038 2.787 -10.214 1.00 10.00 H new ATOM 127 N ILE A 9 1.698 -0.622 -8.892 1.00 10.00 N ATOM 128 CA ILE A 9 2.547 -1.726 -8.428 1.00 10.00 C ATOM 129 C ILE A 9 3.304 -2.371 -9.590 1.00 10.00 C ATOM 130 O ILE A 9 2.713 -2.635 -10.632 1.00 10.00 O ATOM 131 CB ILE A 9 1.693 -2.792 -7.701 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.466 -2.231 -6.977 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.532 -3.525 -6.656 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.833 -1.157 -5.965 1.00 10.00 C ATOM 0 H ILE A 9 0.873 -0.935 -9.403 1.00 10.00 H new ATOM 0 HA ILE A 9 3.277 -1.314 -7.732 1.00 10.00 H new ATOM 0 HB ILE A 9 1.347 -3.456 -8.493 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.226 -1.816 -7.709 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.056 -3.042 -6.469 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.917 -4.271 -6.154 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.373 -4.017 -7.145 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.906 -2.810 -5.923 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.071 -0.791 -5.479 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.504 -1.577 -5.215 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.330 -0.332 -6.475 1.00 10.00 H new ATOM 146 N GLU A 10 4.593 -2.672 -9.387 1.00 10.00 N ATOM 147 CA GLU A 10 5.462 -3.291 -10.377 1.00 10.00 C ATOM 148 C GLU A 10 6.032 -4.574 -9.777 1.00 10.00 C ATOM 149 O GLU A 10 7.082 -4.541 -9.135 1.00 10.00 O ATOM 150 CB GLU A 10 6.581 -2.307 -10.755 1.00 10.00 C ATOM 151 CG GLU A 10 6.150 -1.360 -11.885 1.00 10.00 C ATOM 152 CD GLU A 10 6.507 -1.943 -13.249 1.00 10.00 C ATOM 153 OE1 GLU A 10 5.915 -2.985 -13.598 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.403 -1.358 -13.894 1.00 10.00 O ATOM 0 H GLU A 10 5.066 -2.484 -8.503 1.00 10.00 H new ATOM 0 HA GLU A 10 4.909 -3.538 -11.284 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.863 -1.723 -9.879 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.465 -2.864 -11.065 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.075 -1.186 -11.829 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.636 -0.393 -11.760 1.00 10.00 H new ATOM 251 N ASN A 19 -2.418 -9.596 -0.403 1.00 10.00 N ATOM 252 CA ASN A 19 -2.653 -9.798 1.031 1.00 10.00 C ATOM 253 C ASN A 19 -1.440 -9.369 1.856 1.00 10.00 C ATOM 254 O ASN A 19 -1.575 -8.773 2.926 1.00 10.00 O ATOM 255 CB ASN A 19 -3.017 -11.253 1.349 1.00 10.00 C ATOM 256 CG ASN A 19 -4.521 -11.475 1.284 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.160 -11.672 2.314 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.085 -11.438 0.083 1.00 10.00 N ATOM 0 HA ASN A 19 -3.501 -9.170 1.304 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.519 -11.917 0.643 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.652 -11.512 2.343 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.091 -11.577 -0.012 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.512 -11.271 -0.744 1.00 10.00 H new ATOM 265 N ARG A 20 -0.240 -9.698 1.380 1.00 10.00 N ATOM 266 CA ARG A 20 0.997 -9.297 2.018 1.00 10.00 C ATOM 267 C ARG A 20 1.101 -7.773 2.067 1.00 10.00 C ATOM 268 O ARG A 20 1.506 -7.252 3.109 1.00 10.00 O ATOM 269 CB ARG A 20 2.209 -9.972 1.349 1.00 10.00 C ATOM 270 CG ARG A 20 2.881 -10.961 2.306 1.00 10.00 C ATOM 271 CD ARG A 20 3.654 -10.226 3.414 1.00 10.00 C ATOM 272 NE ARG A 20 3.930 -11.108 4.561 1.00 10.00 N ATOM 273 CZ ARG A 20 4.878 -12.057 4.608 1.00 10.00 C ATOM 274 NH1 ARG A 20 5.679 -12.255 3.556 1.00 10.00 N ATOM 275 NH2 ARG A 20 5.020 -12.800 5.711 1.00 10.00 N ATOM 0 H ARG A 20 -0.106 -10.254 0.535 1.00 10.00 H new ATOM 0 HA ARG A 20 0.996 -9.643 3.052 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.888 -10.493 0.447 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.928 -9.213 1.040 1.00 10.00 H new ATOM 0 HG2 ARG A 20 2.126 -11.608 2.753 1.00 10.00 H new ATOM 0 HG3 ARG A 20 3.562 -11.604 1.749 1.00 10.00 H new ATOM 0 HD2 ARG A 20 4.593 -9.846 3.012 1.00 10.00 H new ATOM 0 HD3 ARG A 20 3.078 -9.363 3.749 1.00 10.00 H new ATOM 0 HE ARG A 20 3.350 -10.987 5.392 1.00 10.00 H new ATOM 0 HH11 ARG A 20 5.570 -11.685 2.717 1.00 10.00 H new ATOM 0 HH12 ARG A 20 6.399 -12.976 3.592 1.00 10.00 H new ATOM 0 HH21 ARG A 20 4.409 -12.645 6.513 1.00 10.00 H new ATOM 0 HH22 ARG A 20 5.739 -13.522 5.750 1.00 10.00 H new ATOM 289 N ILE A 21 0.710 -7.071 0.989 1.00 10.00 N ATOM 290 CA ILE A 21 0.567 -5.616 1.031 1.00 10.00 C ATOM 291 C ILE A 21 -0.226 -5.247 2.280 1.00 10.00 C ATOM 292 O ILE A 21 0.313 -4.592 3.166 1.00 10.00 O ATOM 293 CB ILE A 21 -0.143 -4.996 -0.195 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.272 -5.517 -1.570 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.002 -3.475 -0.129 1.00 10.00 C ATOM 296 CD1 ILE A 21 1.720 -5.247 -1.950 1.00 10.00 C ATOM 0 H ILE A 21 0.490 -7.490 0.086 1.00 10.00 H new ATOM 0 HA ILE A 21 1.579 -5.212 1.034 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.182 -5.314 -0.114 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.098 -6.593 -1.602 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -0.375 -5.067 -2.323 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.495 -3.025 -0.988 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.455 -3.105 0.789 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.059 -3.209 -0.140 1.00 10.00 H new ATOM 0 HD11 ILE A 21 1.918 -5.654 -2.942 1.00 10.00 H new ATOM 0 HD12 ILE A 21 1.900 -4.172 -1.957 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.381 -5.721 -1.225 1.00 10.00 H new ATOM 308 N GLU A 22 -1.481 -5.701 2.367 1.00 10.00 N ATOM 309 CA GLU A 22 -2.360 -5.349 3.472 1.00 10.00 C ATOM 310 C GLU A 22 -1.739 -5.672 4.827 1.00 10.00 C ATOM 311 O GLU A 22 -1.956 -4.935 5.775 1.00 10.00 O ATOM 312 CB GLU A 22 -3.721 -6.035 3.351 1.00 10.00 C ATOM 313 CG GLU A 22 -4.546 -5.463 2.196 1.00 10.00 C ATOM 314 CD GLU A 22 -5.971 -5.998 2.246 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.632 -5.743 3.277 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.353 -6.690 1.280 1.00 10.00 O ATOM 0 H GLU A 22 -1.908 -6.318 1.676 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.505 -4.270 3.412 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.576 -7.105 3.199 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.272 -5.917 4.284 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.557 -4.375 2.253 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.084 -5.728 1.245 1.00 10.00 H new ATOM 323 N LYS A 23 -0.979 -6.759 4.951 1.00 10.00 N ATOM 324 CA LYS A 23 -0.341 -7.123 6.204 1.00 10.00 C ATOM 325 C LYS A 23 0.726 -6.085 6.563 1.00 10.00 C ATOM 326 O LYS A 23 0.723 -5.534 7.664 1.00 10.00 O ATOM 327 CB LYS A 23 0.232 -8.552 6.109 1.00 10.00 C ATOM 328 CG LYS A 23 -0.228 -9.432 7.281 1.00 10.00 C ATOM 329 CD LYS A 23 -1.719 -9.811 7.217 1.00 10.00 C ATOM 330 CE LYS A 23 -2.010 -10.898 6.166 1.00 10.00 C ATOM 331 NZ LYS A 23 -3.457 -11.182 6.045 1.00 10.00 N ATOM 0 H LYS A 23 -0.792 -7.407 4.186 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.075 -7.125 7.009 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.080 -9.007 5.169 1.00 10.00 H new ATOM 0 HB3 LYS A 23 1.321 -8.506 6.095 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.370 -10.343 7.297 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.035 -8.907 8.217 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.043 -10.162 8.197 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.306 -8.922 6.987 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.621 -10.580 5.199 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.483 -11.813 6.436 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.607 -11.919 5.327 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.824 -11.511 6.961 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.958 -10.316 5.762 1.00 10.00 H new ATOM 345 N ARG A 24 1.650 -5.820 5.637 1.00 10.00 N ATOM 346 CA ARG A 24 2.721 -4.865 5.887 1.00 10.00 C ATOM 347 C ARG A 24 2.168 -3.450 6.087 1.00 10.00 C ATOM 348 O ARG A 24 2.700 -2.693 6.891 1.00 10.00 O ATOM 349 CB ARG A 24 3.779 -4.920 4.773 1.00 10.00 C ATOM 350 CG ARG A 24 5.198 -4.844 5.360 1.00 10.00 C ATOM 351 CD ARG A 24 5.645 -6.199 5.911 1.00 10.00 C ATOM 352 NE ARG A 24 6.951 -6.114 6.584 1.00 10.00 N ATOM 353 CZ ARG A 24 7.559 -7.153 7.180 1.00 10.00 C ATOM 354 NH1 ARG A 24 6.999 -8.366 7.127 1.00 10.00 N ATOM 355 NH2 ARG A 24 8.715 -6.978 7.829 1.00 10.00 N ATOM 0 H ARG A 24 1.675 -6.253 4.714 1.00 10.00 H new ATOM 0 HA ARG A 24 3.216 -5.147 6.816 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.666 -5.842 4.203 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.624 -4.095 4.078 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.895 -4.514 4.590 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.226 -4.099 6.155 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.898 -6.570 6.613 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.703 -6.921 5.096 1.00 10.00 H new ATOM 0 HE ARG A 24 7.424 -5.210 6.599 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.115 -8.499 6.636 1.00 10.00 H new ATOM 0 HH12 ARG A 24 7.456 -9.159 7.578 1.00 10.00 H new ATOM 0 HH21 ARG A 24 9.140 -6.052 7.873 1.00 10.00 H new ATOM 0 HH22 ARG A 24 9.172 -7.771 8.280 1.00 10.00 H new ATOM 369 N LEU A 25 1.104 -3.097 5.368 1.00 10.00 N ATOM 370 CA LEU A 25 0.452 -1.801 5.485 1.00 10.00 C ATOM 371 C LEU A 25 -0.349 -1.698 6.779 1.00 10.00 C ATOM 372 O LEU A 25 -0.233 -0.708 7.490 1.00 10.00 O ATOM 373 CB LEU A 25 -0.406 -1.519 4.243 1.00 10.00 C ATOM 374 CG LEU A 25 0.240 -0.400 3.418 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.105 -0.545 1.936 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.244 0.938 3.981 1.00 10.00 C ATOM 0 H LEU A 25 0.668 -3.712 4.681 1.00 10.00 H new ATOM 0 HA LEU A 25 1.220 -1.029 5.534 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.500 -2.422 3.640 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.413 -1.230 4.542 1.00 10.00 H new ATOM 0 HG LEU A 25 1.326 -0.456 3.490 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.365 0.261 1.372 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.260 -1.505 1.570 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.186 -0.495 1.808 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.201 1.754 3.412 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.330 0.993 3.906 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.052 1.021 5.027 1.00 10.00 H new ATOM 388 N ASN A 26 -1.116 -2.731 7.124 1.00 10.00 N ATOM 389 CA ASN A 26 -1.806 -2.838 8.406 1.00 10.00 C ATOM 390 C ASN A 26 -0.837 -2.601 9.560 1.00 10.00 C ATOM 391 O ASN A 26 -1.239 -2.107 10.607 1.00 10.00 O ATOM 392 CB ASN A 26 -2.472 -4.214 8.542 1.00 10.00 C ATOM 393 CG ASN A 26 -3.013 -4.469 9.946 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.144 -4.119 10.258 1.00 10.00 O ATOM 395 ND2 ASN A 26 -2.222 -5.119 10.798 1.00 10.00 N ATOM 0 H ASN A 26 -1.277 -3.529 6.510 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.580 -2.071 8.444 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.288 -4.291 7.823 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.749 -4.990 8.289 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -2.554 -5.337 11.737 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -1.284 -5.399 10.511 1.00 10.00 H new ATOM 402 N LYS A 27 0.438 -2.968 9.385 1.00 10.00 N ATOM 403 CA LYS A 27 1.432 -2.718 10.405 1.00 10.00 C ATOM 404 C LYS A 27 1.596 -1.214 10.704 1.00 10.00 C ATOM 405 O LYS A 27 1.895 -0.869 11.842 1.00 10.00 O ATOM 406 CB LYS A 27 2.724 -3.332 9.884 1.00 10.00 C ATOM 407 CG LYS A 27 3.699 -3.800 10.966 1.00 10.00 C ATOM 408 CD LYS A 27 4.937 -2.904 11.048 1.00 10.00 C ATOM 409 CE LYS A 27 5.714 -2.915 9.722 1.00 10.00 C ATOM 410 NZ LYS A 27 6.950 -2.106 9.819 1.00 10.00 N ATOM 0 H LYS A 27 0.792 -3.435 8.550 1.00 10.00 H new ATOM 0 HA LYS A 27 1.134 -3.162 11.355 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.475 -4.182 9.249 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.228 -2.600 9.254 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.193 -3.808 11.931 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.006 -4.825 10.758 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.637 -1.884 11.289 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.584 -3.245 11.856 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.968 -3.941 9.455 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.082 -2.525 8.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.454 -2.132 8.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.704 -1.123 10.051 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.562 -2.495 10.565 1.00 10.00 H new ATOM 424 N ILE A 28 1.459 -0.341 9.694 1.00 10.00 N ATOM 425 CA ILE A 28 1.546 1.109 9.848 1.00 10.00 C ATOM 426 C ILE A 28 0.562 1.603 10.904 1.00 10.00 C ATOM 427 O ILE A 28 -0.611 1.241 10.882 1.00 10.00 O ATOM 428 CB ILE A 28 1.269 1.812 8.502 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.251 1.401 7.390 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.261 3.333 8.674 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.715 1.431 7.824 1.00 10.00 C ATOM 0 H ILE A 28 1.282 -0.634 8.733 1.00 10.00 H new ATOM 0 HA ILE A 28 2.557 1.353 10.174 1.00 10.00 H new ATOM 0 HB ILE A 28 0.280 1.482 8.183 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.002 0.396 7.051 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.120 2.067 6.537 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.064 3.807 7.712 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.483 3.615 9.384 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.230 3.662 9.049 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.348 1.130 6.989 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.981 2.441 8.136 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.862 0.744 8.657 1.00 10.00 H new ATOM 443 N GLU A 29 1.029 2.461 11.805 1.00 10.00 N ATOM 444 CA GLU A 29 0.250 2.890 12.941 1.00 10.00 C ATOM 445 C GLU A 29 -0.850 3.869 12.511 1.00 10.00 C ATOM 446 O GLU A 29 -2.003 3.682 12.893 1.00 10.00 O ATOM 447 CB GLU A 29 1.188 3.413 14.038 1.00 10.00 C ATOM 448 CG GLU A 29 2.061 2.308 14.673 1.00 10.00 C ATOM 449 CD GLU A 29 3.306 1.872 13.889 1.00 10.00 C ATOM 450 OE1 GLU A 29 3.459 2.272 12.713 1.00 10.00 O ATOM 451 OE2 GLU A 29 4.103 1.125 14.499 1.00 10.00 O ATOM 0 H GLU A 29 1.961 2.874 11.760 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.286 2.048 13.378 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.836 4.181 13.616 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.594 3.890 14.818 1.00 10.00 H new ATOM 0 HG2 GLU A 29 2.382 2.652 15.656 1.00 10.00 H new ATOM 0 HG3 GLU A 29 1.435 1.430 14.832 1.00 10.00 H new ATOM 458 N GLY A 30 -0.566 4.893 11.690 1.00 10.00 N ATOM 459 CA GLY A 30 -1.592 5.860 11.314 1.00 10.00 C ATOM 460 C GLY A 30 -2.481 5.373 10.172 1.00 10.00 C ATOM 461 O GLY A 30 -2.878 6.168 9.325 1.00 10.00 O ATOM 0 H GLY A 30 0.353 5.066 11.283 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.213 6.079 12.183 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.113 6.794 11.021 1.00 10.00 H new ATOM 465 N VAL A 31 -2.802 4.084 10.131 1.00 10.00 N ATOM 466 CA VAL A 31 -3.600 3.468 9.092 1.00 10.00 C ATOM 467 C VAL A 31 -5.014 3.274 9.625 1.00 10.00 C ATOM 468 O VAL A 31 -5.202 3.086 10.825 1.00 10.00 O ATOM 469 CB VAL A 31 -2.905 2.160 8.686 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.288 0.966 9.566 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.141 1.856 7.211 1.00 10.00 C ATOM 0 H VAL A 31 -2.501 3.423 10.847 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.684 4.085 8.197 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.839 2.318 8.846 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.760 0.076 9.222 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.014 1.174 10.600 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.363 0.797 9.503 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.639 0.925 6.947 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.211 1.757 7.027 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.742 2.668 6.604 1.00 10.00 H new ATOM 481 N ALA A 32 -6.009 3.321 8.740 1.00 10.00 N ATOM 482 CA ALA A 32 -7.345 2.849 9.059 1.00 10.00 C ATOM 483 C ALA A 32 -7.543 1.555 8.288 1.00 10.00 C ATOM 484 O ALA A 32 -7.816 0.508 8.868 1.00 10.00 O ATOM 485 CB ALA A 32 -8.381 3.911 8.687 1.00 10.00 C ATOM 0 H ALA A 32 -5.908 3.684 7.792 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.468 2.665 10.126 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.379 3.547 8.930 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.182 4.825 9.246 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.321 4.119 7.619 1.00 10.00 H new ATOM 491 N ASN A 33 -7.403 1.644 6.969 1.00 10.00 N ATOM 492 CA ASN A 33 -7.769 0.581 6.061 1.00 10.00 C ATOM 493 C ASN A 33 -6.943 0.700 4.783 1.00 10.00 C ATOM 494 O ASN A 33 -6.248 1.690 4.557 1.00 10.00 O ATOM 495 CB ASN A 33 -9.293 0.607 5.814 1.00 10.00 C ATOM 496 CG ASN A 33 -9.927 2.000 5.685 1.00 10.00 C ATOM 497 OD1 ASN A 33 -9.349 3.032 5.997 1.00 10.00 O ATOM 498 ND2 ASN A 33 -11.173 2.064 5.264 1.00 10.00 N ATOM 0 H ASN A 33 -7.027 2.469 6.503 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.543 -0.393 6.494 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.504 0.047 4.903 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.783 0.080 6.632 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.644 2.966 5.201 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -11.667 1.211 5.001 1.00 10.00 H new ATOM 505 N ALA A 34 -6.974 -0.351 3.966 1.00 10.00 N ATOM 506 CA ALA A 34 -6.239 -0.418 2.713 1.00 10.00 C ATOM 507 C ALA A 34 -6.880 -1.429 1.759 1.00 10.00 C ATOM 508 O ALA A 34 -6.371 -2.538 1.620 1.00 10.00 O ATOM 509 CB ALA A 34 -4.768 -0.761 2.988 1.00 10.00 C ATOM 0 H ALA A 34 -7.520 -1.190 4.162 1.00 10.00 H new ATOM 0 HA ALA A 34 -6.278 0.557 2.227 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -4.223 -0.810 2.045 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.327 0.008 3.622 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.707 -1.726 3.492 1.00 10.00 H new ATOM 515 N PRO A 35 -7.997 -1.085 1.102 1.00 10.00 N ATOM 516 CA PRO A 35 -8.680 -1.991 0.192 1.00 10.00 C ATOM 517 C PRO A 35 -7.908 -2.092 -1.131 1.00 10.00 C ATOM 518 O PRO A 35 -8.360 -1.605 -2.166 1.00 10.00 O ATOM 519 CB PRO A 35 -10.083 -1.394 0.037 1.00 10.00 C ATOM 520 CG PRO A 35 -9.839 0.108 0.186 1.00 10.00 C ATOM 521 CD PRO A 35 -8.720 0.172 1.226 1.00 10.00 C ATOM 0 HA PRO A 35 -8.742 -3.016 0.557 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.520 -1.637 -0.932 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.767 -1.769 0.798 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.540 0.564 -0.758 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.734 0.631 0.523 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -8.063 1.022 1.042 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -9.125 0.294 2.231 1.00 10.00 H new ATOM 529 N VAL A 36 -6.729 -2.720 -1.101 1.00 10.00 N ATOM 530 CA VAL A 36 -5.903 -2.931 -2.276 1.00 10.00 C ATOM 531 C VAL A 36 -6.611 -3.845 -3.264 1.00 10.00 C ATOM 532 O VAL A 36 -7.453 -4.647 -2.857 1.00 10.00 O ATOM 533 CB VAL A 36 -4.543 -3.523 -1.877 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.929 -2.769 -0.694 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.608 -5.017 -1.533 1.00 10.00 C ATOM 0 H VAL A 36 -6.323 -3.098 -0.245 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.732 -1.968 -2.756 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.913 -3.408 -2.759 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.968 -3.214 -0.438 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.784 -1.723 -0.965 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.598 -2.832 0.164 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.614 -5.371 -1.260 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -5.290 -5.168 -0.696 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.967 -5.574 -2.398 1.00 10.00 H new ATOM 545 N ASN A 37 -6.238 -3.777 -4.547 1.00 10.00 N ATOM 546 CA ASN A 37 -6.759 -4.742 -5.497 1.00 10.00 C ATOM 547 C ASN A 37 -5.738 -5.827 -5.826 1.00 10.00 C ATOM 548 O ASN A 37 -4.541 -5.681 -5.588 1.00 10.00 O ATOM 549 CB ASN A 37 -7.314 -4.051 -6.731 1.00 10.00 C ATOM 550 CG ASN A 37 -6.284 -3.336 -7.585 1.00 10.00 C ATOM 551 OD1 ASN A 37 -5.402 -3.959 -8.180 1.00 10.00 O ATOM 552 ND2 ASN A 37 -6.447 -2.024 -7.695 1.00 10.00 N ATOM 0 H ASN A 37 -5.597 -3.084 -4.934 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.596 -5.258 -5.026 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -7.822 -4.793 -7.347 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.067 -3.329 -6.416 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -5.825 -1.481 -8.295 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -7.194 -1.558 -7.180 1.00 10.00 H new ATOM 559 N PHE A 38 -6.251 -6.947 -6.337 1.00 10.00 N ATOM 560 CA PHE A 38 -5.516 -8.174 -6.584 1.00 10.00 C ATOM 561 C PHE A 38 -5.791 -8.631 -8.014 1.00 10.00 C ATOM 562 O PHE A 38 -6.258 -9.745 -8.230 1.00 10.00 O ATOM 563 CB PHE A 38 -5.875 -9.237 -5.523 1.00 10.00 C ATOM 564 CG PHE A 38 -7.192 -9.044 -4.793 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.252 -8.188 -3.675 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.338 -9.752 -5.195 1.00 10.00 C ATOM 567 CE1 PHE A 38 -8.452 -8.040 -2.964 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.534 -9.624 -4.465 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.591 -8.768 -3.350 1.00 10.00 C ATOM 0 H PHE A 38 -7.234 -7.020 -6.599 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.443 -8.008 -6.491 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.894 -10.212 -6.009 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.075 -9.265 -4.783 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -6.372 -7.645 -3.365 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -8.300 -10.393 -6.063 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -8.501 -7.367 -2.121 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.409 -10.183 -4.761 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.510 -8.670 -2.791 1.00 10.00 H new ATOM 579 N ALA A 39 -5.454 -7.767 -8.978 1.00 10.00 N ATOM 580 CA ALA A 39 -5.349 -8.087 -10.400 1.00 10.00 C ATOM 581 C ALA A 39 -5.143 -6.825 -11.241 1.00 10.00 C ATOM 582 O ALA A 39 -4.549 -6.897 -12.310 1.00 10.00 O ATOM 583 CB ALA A 39 -6.597 -8.807 -10.930 1.00 10.00 C ATOM 0 H ALA A 39 -5.240 -6.790 -8.778 1.00 10.00 H new ATOM 0 HA ALA A 39 -4.487 -8.748 -10.490 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -6.470 -9.023 -11.991 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -6.738 -9.740 -10.384 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.471 -8.170 -10.792 1.00 10.00 H new ATOM 589 N LEU A 40 -5.661 -5.679 -10.783 1.00 10.00 N ATOM 590 CA LEU A 40 -5.601 -4.426 -11.538 1.00 10.00 C ATOM 591 C LEU A 40 -4.244 -3.737 -11.355 1.00 10.00 C ATOM 592 O LEU A 40 -3.973 -2.715 -11.981 1.00 10.00 O ATOM 593 CB LEU A 40 -6.720 -3.467 -11.113 1.00 10.00 C ATOM 594 CG LEU A 40 -8.036 -4.127 -10.672 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.015 -3.019 -10.287 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.633 -5.020 -11.763 1.00 10.00 C ATOM 0 H LEU A 40 -6.131 -5.596 -9.882 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.733 -4.679 -12.590 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.352 -2.851 -10.293 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.933 -2.796 -11.945 1.00 10.00 H new ATOM 0 HG LEU A 40 -7.837 -4.778 -9.821 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.959 -3.462 -9.970 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.597 -2.432 -9.470 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.189 -2.372 -11.147 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.561 -5.463 -11.403 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.837 -4.422 -12.651 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -7.926 -5.811 -12.013 1.00 10.00 H new ATOM 608 N GLU A 41 -3.430 -4.277 -10.447 1.00 10.00 N ATOM 609 CA GLU A 41 -2.055 -3.880 -10.187 1.00 10.00 C ATOM 610 C GLU A 41 -2.006 -2.475 -9.594 1.00 10.00 C ATOM 611 O GLU A 41 -1.124 -1.677 -9.914 1.00 10.00 O ATOM 612 CB GLU A 41 -1.172 -4.065 -11.431 1.00 10.00 C ATOM 613 CG GLU A 41 -1.269 -5.503 -11.964 1.00 10.00 C ATOM 614 CD GLU A 41 -0.284 -5.752 -13.097 1.00 10.00 C ATOM 615 OE1 GLU A 41 -0.556 -5.244 -14.207 1.00 10.00 O ATOM 616 OE2 GLU A 41 0.714 -6.455 -12.831 1.00 10.00 O ATOM 0 H GLU A 41 -3.732 -5.042 -9.844 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.630 -4.543 -9.434 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.479 -3.364 -12.207 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.136 -3.834 -11.184 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.076 -6.205 -11.153 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.283 -5.693 -12.315 1.00 10.00 H new ATOM 623 N THR A 42 -2.939 -2.196 -8.678 1.00 10.00 N ATOM 624 CA THR A 42 -2.970 -0.964 -7.908 1.00 10.00 C ATOM 625 C THR A 42 -3.292 -1.277 -6.440 1.00 10.00 C ATOM 626 O THR A 42 -4.086 -2.163 -6.122 1.00 10.00 O ATOM 627 CB THR A 42 -3.928 0.057 -8.552 1.00 10.00 C ATOM 628 OG1 THR A 42 -4.848 -0.570 -9.428 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.155 1.074 -9.391 1.00 10.00 C ATOM 0 H THR A 42 -3.702 -2.834 -8.453 1.00 10.00 H new ATOM 0 HA THR A 42 -1.988 -0.492 -7.918 1.00 10.00 H new ATOM 0 HB THR A 42 -4.453 0.540 -7.728 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.441 0.106 -9.818 1.00 10.00 H new ATOM 0 HG21 THR A 42 -3.852 1.784 -9.835 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.449 1.608 -8.755 1.00 10.00 H new ATOM 0 HG23 THR A 42 -2.612 0.556 -10.181 1.00 10.00 H new ATOM 637 N VAL A 43 -2.631 -0.568 -5.531 1.00 10.00 N ATOM 638 CA VAL A 43 -2.879 -0.627 -4.098 1.00 10.00 C ATOM 639 C VAL A 43 -3.493 0.705 -3.682 1.00 10.00 C ATOM 640 O VAL A 43 -3.066 1.761 -4.144 1.00 10.00 O ATOM 641 CB VAL A 43 -1.553 -0.921 -3.390 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.413 -0.411 -1.950 1.00 10.00 C ATOM 643 CG2 VAL A 43 -1.187 -2.404 -3.510 1.00 10.00 C ATOM 0 H VAL A 43 -1.886 0.082 -5.780 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.575 -1.420 -3.824 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.824 -0.318 -3.932 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.431 -0.682 -1.562 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.522 0.673 -1.936 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.186 -0.861 -1.328 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.242 -2.588 -3.000 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.970 -3.010 -3.054 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -1.089 -2.671 -4.562 1.00 10.00 H new ATOM 653 N THR A 44 -4.490 0.633 -2.806 1.00 10.00 N ATOM 654 CA THR A 44 -5.282 1.741 -2.321 1.00 10.00 C ATOM 655 C THR A 44 -5.168 1.715 -0.798 1.00 10.00 C ATOM 656 O THR A 44 -5.486 0.695 -0.188 1.00 10.00 O ATOM 657 CB THR A 44 -6.722 1.506 -2.795 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.758 1.397 -4.208 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.662 2.613 -2.337 1.00 10.00 C ATOM 0 H THR A 44 -4.778 -0.256 -2.396 1.00 10.00 H new ATOM 0 HA THR A 44 -4.954 2.714 -2.687 1.00 10.00 H new ATOM 0 HB THR A 44 -7.065 0.574 -2.346 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.681 1.245 -4.501 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.670 2.405 -2.695 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.666 2.659 -1.248 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.323 3.568 -2.740 1.00 10.00 H new ATOM 667 N VAL A 45 -4.680 2.802 -0.193 1.00 10.00 N ATOM 668 CA VAL A 45 -4.506 2.939 1.244 1.00 10.00 C ATOM 669 C VAL A 45 -5.337 4.113 1.738 1.00 10.00 C ATOM 670 O VAL A 45 -5.433 5.141 1.067 1.00 10.00 O ATOM 671 CB VAL A 45 -3.032 3.149 1.612 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.855 3.131 3.135 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.173 2.044 0.999 1.00 10.00 C ATOM 0 H VAL A 45 -4.389 3.631 -0.710 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.839 2.018 1.723 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.717 4.117 1.221 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.804 3.281 3.381 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.449 3.929 3.580 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.186 2.170 3.528 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.129 2.204 1.267 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.501 1.076 1.378 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.276 2.063 -0.086 1.00 10.00 H new ATOM 683 N GLU A 46 -5.897 3.955 2.931 1.00 10.00 N ATOM 684 CA GLU A 46 -6.612 4.949 3.667 1.00 10.00 C ATOM 685 C GLU A 46 -5.880 5.134 5.002 1.00 10.00 C ATOM 686 O GLU A 46 -6.059 4.351 5.943 1.00 10.00 O ATOM 687 CB GLU A 46 -8.013 4.390 3.817 1.00 10.00 C ATOM 688 CG GLU A 46 -8.809 4.498 2.517 1.00 10.00 C ATOM 689 CD GLU A 46 -10.181 3.867 2.675 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.267 2.645 2.432 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.107 4.612 3.059 1.00 10.00 O ATOM 0 H GLU A 46 -5.852 3.066 3.428 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.668 5.930 3.195 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -7.957 3.345 4.123 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.536 4.926 4.609 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.915 5.546 2.235 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.267 4.005 1.710 1.00 10.00 H new ATOM 698 N TYR A 47 -5.015 6.151 5.063 1.00 10.00 N ATOM 699 CA TYR A 47 -4.150 6.419 6.203 1.00 10.00 C ATOM 700 C TYR A 47 -4.090 7.917 6.470 1.00 10.00 C ATOM 701 O TYR A 47 -4.430 8.730 5.614 1.00 10.00 O ATOM 702 CB TYR A 47 -2.742 5.838 5.989 1.00 10.00 C ATOM 703 CG TYR A 47 -1.799 6.671 5.135 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.887 6.671 3.729 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.846 7.490 5.767 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.056 7.516 2.973 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.086 8.399 5.014 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.208 8.426 3.618 1.00 10.00 C ATOM 709 OH TYR A 47 0.475 9.355 2.895 1.00 10.00 O ATOM 0 H TYR A 47 -4.898 6.821 4.303 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.572 5.925 7.078 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.280 5.689 6.965 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.842 4.854 5.530 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.593 6.022 3.232 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.699 7.419 6.835 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.071 7.464 1.894 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.592 9.077 5.510 1.00 10.00 H new ATOM 0 HH TYR A 47 1.016 9.906 3.498 1.00 10.00 H new ATOM 719 N ASN A 48 -3.660 8.275 7.675 1.00 10.00 N ATOM 720 CA ASN A 48 -3.443 9.664 8.068 1.00 10.00 C ATOM 721 C ASN A 48 -1.983 10.078 7.842 1.00 10.00 C ATOM 722 O ASN A 48 -1.085 9.440 8.392 1.00 10.00 O ATOM 723 CB ASN A 48 -3.918 9.921 9.508 1.00 10.00 C ATOM 724 CG ASN A 48 -3.079 9.296 10.627 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.984 9.748 10.955 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.635 8.294 11.300 1.00 10.00 N ATOM 0 H ASN A 48 -3.450 7.604 8.414 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.053 10.299 7.426 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.952 10.999 9.669 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.940 9.552 9.601 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.152 7.888 12.102 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.544 7.931 11.015 1.00 10.00 H new ATOM 733 N PRO A 49 -1.705 11.140 7.062 1.00 10.00 N ATOM 734 CA PRO A 49 -0.363 11.685 6.925 1.00 10.00 C ATOM 735 C PRO A 49 -0.011 12.469 8.191 1.00 10.00 C ATOM 736 O PRO A 49 0.113 13.691 8.165 1.00 10.00 O ATOM 737 CB PRO A 49 -0.413 12.567 5.674 1.00 10.00 C ATOM 738 CG PRO A 49 -1.842 13.099 5.711 1.00 10.00 C ATOM 739 CD PRO A 49 -2.633 11.900 6.237 1.00 10.00 C ATOM 0 HA PRO A 49 0.410 10.924 6.813 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.322 13.371 5.713 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.214 11.997 4.766 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.935 13.965 6.367 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.185 13.409 4.724 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.496 12.226 6.818 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.013 11.292 5.416 1.00 10.00 H new ATOM 747 N LYS A 50 0.131 11.760 9.311 1.00 10.00 N ATOM 748 CA LYS A 50 0.508 12.358 10.586 1.00 10.00 C ATOM 749 C LYS A 50 1.491 11.422 11.268 1.00 10.00 C ATOM 750 O LYS A 50 2.540 11.862 11.739 1.00 10.00 O ATOM 751 CB LYS A 50 -0.748 12.697 11.421 1.00 10.00 C ATOM 752 CG LYS A 50 -0.704 12.305 12.909 1.00 10.00 C ATOM 753 CD LYS A 50 0.343 13.097 13.713 1.00 10.00 C ATOM 754 CE LYS A 50 1.058 12.178 14.718 1.00 10.00 C ATOM 755 NZ LYS A 50 1.942 12.929 15.632 1.00 10.00 N ATOM 0 H LYS A 50 -0.013 10.751 9.357 1.00 10.00 H new ATOM 0 HA LYS A 50 1.011 13.315 10.450 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.923 13.771 11.355 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.606 12.205 10.963 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -1.688 12.465 13.350 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.487 11.240 12.991 1.00 10.00 H new ATOM 0 HD2 LYS A 50 1.072 13.541 13.035 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.141 13.918 14.242 1.00 10.00 H new ATOM 0 HE2 LYS A 50 0.315 11.633 15.301 1.00 10.00 H new ATOM 0 HE3 LYS A 50 1.645 11.437 14.176 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 2.402 12.269 16.291 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 2.668 13.429 15.080 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 1.380 13.619 16.170 1.00 10.00 H new ATOM 769 N GLU A 51 1.137 10.139 11.341 1.00 10.00 N ATOM 770 CA GLU A 51 2.007 9.133 11.909 1.00 10.00 C ATOM 771 C GLU A 51 3.014 8.689 10.833 1.00 10.00 C ATOM 772 O GLU A 51 4.212 8.924 10.970 1.00 10.00 O ATOM 773 CB GLU A 51 1.111 8.017 12.462 1.00 10.00 C ATOM 774 CG GLU A 51 1.812 7.190 13.540 1.00 10.00 C ATOM 775 CD GLU A 51 2.947 6.387 12.931 1.00 10.00 C ATOM 776 OE1 GLU A 51 2.661 5.756 11.888 1.00 10.00 O ATOM 777 OE2 GLU A 51 4.051 6.445 13.509 1.00 10.00 O ATOM 0 H GLU A 51 0.243 9.779 11.008 1.00 10.00 H new ATOM 0 HA GLU A 51 2.611 9.497 12.740 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.203 8.455 12.876 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.805 7.362 11.646 1.00 10.00 H new ATOM 0 HG2 GLU A 51 2.199 7.848 14.318 1.00 10.00 H new ATOM 0 HG3 GLU A 51 1.097 6.519 14.016 1.00 10.00 H new ATOM 784 N ALA A 52 2.513 8.108 9.739 1.00 10.00 N ATOM 785 CA ALA A 52 3.302 7.559 8.643 1.00 10.00 C ATOM 786 C ALA A 52 3.131 8.430 7.398 1.00 10.00 C ATOM 787 O ALA A 52 2.276 9.315 7.374 1.00 10.00 O ATOM 788 CB ALA A 52 2.825 6.139 8.376 1.00 10.00 C ATOM 0 H ALA A 52 1.509 8.006 9.591 1.00 10.00 H new ATOM 0 HA ALA A 52 4.360 7.545 8.903 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.403 5.709 7.558 1.00 10.00 H new ATOM 0 HB2 ALA A 52 2.960 5.535 9.273 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.769 6.155 8.105 1.00 10.00 H new ATOM 794 N SER A 53 3.915 8.167 6.350 1.00 10.00 N ATOM 795 CA SER A 53 3.793 8.792 5.042 1.00 10.00 C ATOM 796 C SER A 53 3.656 7.731 3.947 1.00 10.00 C ATOM 797 O SER A 53 3.737 6.524 4.184 1.00 10.00 O ATOM 798 CB SER A 53 5.022 9.678 4.779 1.00 10.00 C ATOM 799 OG SER A 53 6.135 8.897 4.381 1.00 10.00 O ATOM 0 H SER A 53 4.676 7.490 6.396 1.00 10.00 H new ATOM 0 HA SER A 53 2.895 9.410 5.028 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.789 10.408 4.004 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.270 10.239 5.680 1.00 10.00 H new ATOM 0 HG SER A 53 6.401 8.308 5.117 1.00 10.00 H new ATOM 805 N VAL A 54 3.530 8.215 2.710 1.00 10.00 N ATOM 806 CA VAL A 54 3.665 7.416 1.506 1.00 10.00 C ATOM 807 C VAL A 54 4.963 6.602 1.502 1.00 10.00 C ATOM 808 O VAL A 54 4.987 5.473 1.007 1.00 10.00 O ATOM 809 CB VAL A 54 3.580 8.329 0.270 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.198 8.991 0.188 1.00 10.00 C ATOM 811 CG2 VAL A 54 4.658 9.421 0.214 1.00 10.00 C ATOM 0 H VAL A 54 3.327 9.196 2.521 1.00 10.00 H new ATOM 0 HA VAL A 54 2.846 6.698 1.478 1.00 10.00 H new ATOM 0 HB VAL A 54 3.751 7.672 -0.583 1.00 10.00 H new ATOM 0 HG11 VAL A 54 2.154 9.633 -0.691 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.430 8.221 0.114 1.00 10.00 H new ATOM 0 HG13 VAL A 54 2.027 9.589 1.083 1.00 10.00 H new ATOM 0 HG21 VAL A 54 4.525 10.018 -0.688 1.00 10.00 H new ATOM 0 HG22 VAL A 54 4.571 10.063 1.090 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.645 8.958 0.200 1.00 10.00 H new ATOM 821 N SER A 55 6.060 7.174 2.012 1.00 10.00 N ATOM 822 CA SER A 55 7.346 6.501 1.933 1.00 10.00 C ATOM 823 C SER A 55 7.376 5.281 2.847 1.00 10.00 C ATOM 824 O SER A 55 7.954 4.267 2.468 1.00 10.00 O ATOM 825 CB SER A 55 8.537 7.423 2.199 1.00 10.00 C ATOM 826 OG SER A 55 9.720 6.787 1.714 1.00 10.00 O ATOM 0 H SER A 55 6.077 8.083 2.474 1.00 10.00 H new ATOM 0 HA SER A 55 7.454 6.170 0.900 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.392 8.382 1.702 1.00 10.00 H new ATOM 0 HB3 SER A 55 8.627 7.627 3.266 1.00 10.00 H new ATOM 0 HG SER A 55 10.493 7.367 1.876 1.00 10.00 H new ATOM 832 N ASP A 56 6.796 5.350 4.042 1.00 10.00 N ATOM 833 CA ASP A 56 6.854 4.253 4.994 1.00 10.00 C ATOM 834 C ASP A 56 6.215 3.016 4.375 1.00 10.00 C ATOM 835 O ASP A 56 6.822 1.950 4.293 1.00 10.00 O ATOM 836 CB ASP A 56 6.137 4.667 6.282 1.00 10.00 C ATOM 837 CG ASP A 56 6.682 5.983 6.804 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.303 7.004 6.187 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.486 5.950 7.755 1.00 10.00 O ATOM 0 H ASP A 56 6.277 6.163 4.373 1.00 10.00 H new ATOM 0 HA ASP A 56 7.889 4.015 5.239 1.00 10.00 H new ATOM 0 HB2 ASP A 56 5.067 4.760 6.094 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.261 3.892 7.038 1.00 10.00 H new ATOM 844 N LEU A 57 4.990 3.174 3.881 1.00 10.00 N ATOM 845 CA LEU A 57 4.266 2.072 3.270 1.00 10.00 C ATOM 846 C LEU A 57 4.953 1.625 1.972 1.00 10.00 C ATOM 847 O LEU A 57 5.142 0.428 1.759 1.00 10.00 O ATOM 848 CB LEU A 57 2.773 2.397 3.162 1.00 10.00 C ATOM 849 CG LEU A 57 2.461 3.562 2.219 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.276 3.038 0.791 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.240 4.368 2.677 1.00 10.00 C ATOM 0 H LEU A 57 4.480 4.057 3.894 1.00 10.00 H new ATOM 0 HA LEU A 57 4.304 1.192 3.912 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.242 1.510 2.817 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.389 2.632 4.155 1.00 10.00 H new ATOM 0 HG LEU A 57 3.308 4.247 2.239 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.054 3.871 0.124 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.191 2.544 0.463 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.451 2.326 0.769 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.059 5.183 1.977 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.366 3.717 2.711 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.426 4.777 3.670 1.00 10.00 H new ATOM 863 N LYS A 58 5.403 2.560 1.122 1.00 10.00 N ATOM 864 CA LYS A 58 6.343 2.235 0.064 1.00 10.00 C ATOM 865 C LYS A 58 7.501 1.356 0.545 1.00 10.00 C ATOM 866 O LYS A 58 7.783 0.359 -0.106 1.00 10.00 O ATOM 867 CB LYS A 58 6.832 3.531 -0.582 1.00 10.00 C ATOM 868 CG LYS A 58 7.852 3.315 -1.700 1.00 10.00 C ATOM 869 CD LYS A 58 9.137 4.137 -1.505 1.00 10.00 C ATOM 870 CE LYS A 58 10.153 3.587 -0.488 1.00 10.00 C ATOM 871 NZ LYS A 58 10.012 4.168 0.866 1.00 10.00 N ATOM 0 H LYS A 58 5.126 3.541 1.155 1.00 10.00 H new ATOM 0 HA LYS A 58 5.826 1.634 -0.684 1.00 10.00 H new ATOM 0 HB2 LYS A 58 5.975 4.072 -0.984 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.277 4.164 0.186 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.108 2.257 -1.752 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.398 3.580 -2.655 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.635 4.227 -2.471 1.00 10.00 H new ATOM 0 HD3 LYS A 58 8.855 5.144 -1.196 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.040 2.505 -0.423 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.161 3.781 -0.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.797 3.844 1.466 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.030 5.206 0.802 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.109 3.863 1.283 1.00 10.00 H new ATOM 885 N GLU A 59 8.192 1.707 1.633 1.00 10.00 N ATOM 886 CA GLU A 59 9.313 0.938 2.150 1.00 10.00 C ATOM 887 C GLU A 59 8.834 -0.461 2.522 1.00 10.00 C ATOM 888 O GLU A 59 9.459 -1.462 2.187 1.00 10.00 O ATOM 889 CB GLU A 59 9.883 1.678 3.367 1.00 10.00 C ATOM 890 CG GLU A 59 11.336 1.307 3.666 1.00 10.00 C ATOM 891 CD GLU A 59 11.465 0.066 4.550 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.873 0.090 5.650 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.155 -0.883 4.119 1.00 10.00 O ATOM 0 H GLU A 59 7.982 2.542 2.180 1.00 10.00 H new ATOM 0 HA GLU A 59 10.097 0.835 1.400 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.816 2.752 3.196 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.270 1.455 4.240 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.862 1.134 2.727 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.827 2.148 4.156 1.00 10.00 H new ATOM 900 N ALA A 60 7.677 -0.511 3.178 1.00 10.00 N ATOM 901 CA ALA A 60 7.048 -1.755 3.592 1.00 10.00 C ATOM 902 C ALA A 60 6.910 -2.696 2.388 1.00 10.00 C ATOM 903 O ALA A 60 7.345 -3.846 2.430 1.00 10.00 O ATOM 904 CB ALA A 60 5.704 -1.450 4.267 1.00 10.00 C ATOM 0 H ALA A 60 7.148 0.321 3.438 1.00 10.00 H new ATOM 0 HA ALA A 60 7.669 -2.269 4.326 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.233 -2.383 4.577 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.870 -0.819 5.140 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.053 -0.931 3.563 1.00 10.00 H new ATOM 910 N VAL A 61 6.323 -2.190 1.303 1.00 10.00 N ATOM 911 CA VAL A 61 6.210 -2.921 0.046 1.00 10.00 C ATOM 912 C VAL A 61 7.584 -3.212 -0.586 1.00 10.00 C ATOM 913 O VAL A 61 7.826 -4.329 -1.034 1.00 10.00 O ATOM 914 CB VAL A 61 5.245 -2.203 -0.908 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.200 -2.926 -2.262 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.837 -2.204 -0.297 1.00 10.00 C ATOM 0 H VAL A 61 5.912 -1.257 1.274 1.00 10.00 H new ATOM 0 HA VAL A 61 5.782 -3.900 0.259 1.00 10.00 H new ATOM 0 HB VAL A 61 5.591 -1.180 -1.058 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.512 -2.407 -2.929 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.197 -2.934 -2.703 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.859 -3.951 -2.116 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.148 -1.695 -0.971 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.506 -3.232 -0.147 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.856 -1.686 0.662 1.00 10.00 H new ATOM 926 N ASP A 62 8.499 -2.244 -0.601 1.00 10.00 N ATOM 927 CA ASP A 62 9.841 -2.409 -1.157 1.00 10.00 C ATOM 928 C ASP A 62 10.495 -3.648 -0.539 1.00 10.00 C ATOM 929 O ASP A 62 10.906 -4.580 -1.228 1.00 10.00 O ATOM 930 CB ASP A 62 10.655 -1.131 -0.893 1.00 10.00 C ATOM 931 CG ASP A 62 11.766 -0.945 -1.907 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.773 -1.672 -1.830 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.594 -0.043 -2.760 1.00 10.00 O ATOM 0 H ASP A 62 8.327 -1.312 -0.223 1.00 10.00 H new ATOM 0 HA ASP A 62 9.798 -2.561 -2.235 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.991 -0.267 -0.920 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.082 -1.174 0.109 1.00 10.00 H new ATOM 938 N LYS A 63 10.476 -3.692 0.795 1.00 10.00 N ATOM 939 CA LYS A 63 10.969 -4.783 1.616 1.00 10.00 C ATOM 940 C LYS A 63 10.278 -6.115 1.290 1.00 10.00 C ATOM 941 O LYS A 63 10.885 -7.174 1.445 1.00 10.00 O ATOM 942 CB LYS A 63 10.777 -4.395 3.092 1.00 10.00 C ATOM 943 CG LYS A 63 11.529 -5.295 4.080 1.00 10.00 C ATOM 944 CD LYS A 63 13.029 -4.971 4.089 1.00 10.00 C ATOM 945 CE LYS A 63 13.790 -5.971 4.968 1.00 10.00 C ATOM 946 NZ LYS A 63 15.239 -5.683 4.992 1.00 10.00 N ATOM 0 H LYS A 63 10.096 -2.927 1.352 1.00 10.00 H new ATOM 0 HA LYS A 63 12.027 -4.941 1.406 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.107 -3.366 3.232 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.713 -4.424 3.328 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.119 -5.163 5.081 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.381 -6.341 3.810 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.420 -5.001 3.072 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.186 -3.958 4.461 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.395 -5.937 5.983 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.626 -6.982 4.595 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.721 -6.379 5.596 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.620 -5.740 4.026 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.397 -4.727 5.371 1.00 10.00 H new ATOM 960 N LEU A 64 9.013 -6.079 0.865 1.00 10.00 N ATOM 961 CA LEU A 64 8.281 -7.255 0.401 1.00 10.00 C ATOM 962 C LEU A 64 8.959 -7.868 -0.831 1.00 10.00 C ATOM 963 O LEU A 64 8.875 -9.082 -1.014 1.00 10.00 O ATOM 964 CB LEU A 64 6.815 -6.883 0.107 1.00 10.00 C ATOM 965 CG LEU A 64 5.753 -7.518 1.006 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.969 -7.149 2.474 1.00 10.00 C ATOM 967 CD2 LEU A 64 4.391 -6.948 0.591 1.00 10.00 C ATOM 0 H LEU A 64 8.463 -5.220 0.834 1.00 10.00 H new ATOM 0 HA LEU A 64 8.291 -8.008 1.189 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.718 -5.800 0.178 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.595 -7.156 -0.925 1.00 10.00 H new ATOM 0 HG LEU A 64 5.808 -8.601 0.899 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.197 -7.617 3.084 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.949 -7.500 2.797 1.00 10.00 H new ATOM 0 HD13 LEU A 64 5.915 -6.066 2.589 1.00 10.00 H new ATOM 0 HD21 LEU A 64 3.610 -7.382 1.215 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.396 -5.865 0.717 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.198 -7.191 -0.454 1.00 10.00 H new ATOM 979 N GLY A 65 9.625 -7.057 -1.662 1.00 10.00 N ATOM 980 CA GLY A 65 10.451 -7.537 -2.765 1.00 10.00 C ATOM 981 C GLY A 65 10.310 -6.654 -4.002 1.00 10.00 C ATOM 982 O GLY A 65 11.299 -6.320 -4.651 1.00 10.00 O ATOM 0 H GLY A 65 9.602 -6.040 -1.583 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.495 -7.563 -2.453 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.167 -8.560 -3.014 1.00 10.00 H new ATOM 986 N TYR A 66 9.068 -6.310 -4.346 1.00 10.00 N ATOM 987 CA TYR A 66 8.716 -5.498 -5.506 1.00 10.00 C ATOM 988 C TYR A 66 8.473 -4.061 -5.052 1.00 10.00 C ATOM 989 O TYR A 66 8.182 -3.822 -3.885 1.00 10.00 O ATOM 990 CB TYR A 66 7.481 -6.089 -6.200 1.00 10.00 C ATOM 991 CG TYR A 66 6.462 -6.707 -5.265 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.537 -5.895 -4.588 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.536 -8.081 -4.965 1.00 10.00 C ATOM 994 CE1 TYR A 66 4.665 -6.467 -3.651 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.649 -8.651 -4.040 1.00 10.00 C ATOM 996 CZ TYR A 66 4.685 -7.849 -3.414 1.00 10.00 C ATOM 997 OH TYR A 66 3.770 -8.413 -2.576 1.00 10.00 O ATOM 0 H TYR A 66 8.254 -6.600 -3.805 1.00 10.00 H new ATOM 0 HA TYR A 66 9.532 -5.498 -6.229 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.994 -5.302 -6.776 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.809 -6.848 -6.910 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.498 -4.834 -4.788 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.279 -8.698 -5.449 1.00 10.00 H new ATOM 0 HE1 TYR A 66 3.974 -5.839 -3.108 1.00 10.00 H new ATOM 0 HE2 TYR A 66 5.709 -9.705 -3.811 1.00 10.00 H new ATOM 0 HH TYR A 66 3.925 -9.379 -2.525 1.00 10.00 H new ATOM 1007 N LYS A 67 8.619 -3.094 -5.958 1.00 10.00 N ATOM 1008 CA LYS A 67 8.557 -1.695 -5.612 1.00 10.00 C ATOM 1009 C LYS A 67 7.119 -1.176 -5.663 1.00 10.00 C ATOM 1010 O LYS A 67 6.222 -1.807 -6.225 1.00 10.00 O ATOM 1011 CB LYS A 67 9.476 -0.925 -6.560 1.00 10.00 C ATOM 1012 CG LYS A 67 10.957 -1.157 -6.221 1.00 10.00 C ATOM 1013 CD LYS A 67 11.853 -0.086 -6.866 1.00 10.00 C ATOM 1014 CE LYS A 67 11.893 1.229 -6.068 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.650 1.094 -4.805 1.00 10.00 N ATOM 0 H LYS A 67 8.783 -3.270 -6.949 1.00 10.00 H new ATOM 0 HA LYS A 67 8.897 -1.549 -4.587 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.284 -1.236 -7.587 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.251 0.140 -6.502 1.00 10.00 H new ATOM 0 HG2 LYS A 67 11.091 -1.143 -5.139 1.00 10.00 H new ATOM 0 HG3 LYS A 67 11.261 -2.145 -6.567 1.00 10.00 H new ATOM 0 HD2 LYS A 67 12.866 -0.477 -6.961 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.495 0.119 -7.875 1.00 10.00 H new ATOM 0 HE2 LYS A 67 12.346 2.009 -6.679 1.00 10.00 H new ATOM 0 HE3 LYS A 67 10.875 1.549 -5.847 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 13.000 2.027 -4.509 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.028 0.708 -4.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.455 0.452 -4.950 1.00 10.00 H new ATOM 1029 N LEU A 68 6.933 0.004 -5.069 1.00 10.00 N ATOM 1030 CA LEU A 68 5.678 0.721 -4.967 1.00 10.00 C ATOM 1031 C LEU A 68 5.971 2.182 -5.284 1.00 10.00 C ATOM 1032 O LEU A 68 7.058 2.660 -4.954 1.00 10.00 O ATOM 1033 CB LEU A 68 5.187 0.611 -3.516 1.00 10.00 C ATOM 1034 CG LEU A 68 3.749 1.109 -3.334 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.777 0.005 -3.729 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.439 1.529 -1.899 1.00 10.00 C ATOM 0 H LEU A 68 7.702 0.506 -4.624 1.00 10.00 H new ATOM 0 HA LEU A 68 4.925 0.321 -5.646 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.250 -0.429 -3.194 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.850 1.185 -2.869 1.00 10.00 H new ATOM 0 HG LEU A 68 3.639 1.987 -3.970 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.754 0.358 -3.600 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.939 -0.266 -4.772 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.942 -0.868 -3.098 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.406 1.872 -1.835 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.581 0.678 -1.232 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.108 2.337 -1.604 1.00 10.00 H new ATOM 1048 N LYS A 69 5.007 2.908 -5.855 1.00 10.00 N ATOM 1049 CA LYS A 69 5.018 4.351 -5.900 1.00 10.00 C ATOM 1050 C LYS A 69 3.586 4.853 -5.888 1.00 10.00 C ATOM 1051 O LYS A 69 2.693 4.135 -6.323 1.00 10.00 O ATOM 1052 CB LYS A 69 5.731 4.846 -7.165 1.00 10.00 C ATOM 1053 CG LYS A 69 7.239 5.051 -6.993 1.00 10.00 C ATOM 1054 CD LYS A 69 7.511 5.849 -5.709 1.00 10.00 C ATOM 1055 CE LYS A 69 8.810 6.662 -5.777 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.651 7.896 -6.577 1.00 10.00 N ATOM 0 H LYS A 69 4.190 2.493 -6.302 1.00 10.00 H new ATOM 0 HA LYS A 69 5.556 4.733 -5.032 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.562 4.129 -7.968 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.280 5.788 -7.478 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.744 4.086 -6.946 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.644 5.581 -7.855 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.675 6.523 -5.522 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.562 5.162 -4.864 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.127 6.923 -4.767 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.599 6.048 -6.211 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.552 8.415 -6.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.373 7.647 -7.548 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.916 8.495 -6.149 1.00 10.00 H new ATOM 1070 N LEU A 70 3.390 6.077 -5.384 1.00 10.00 N ATOM 1071 CA LEU A 70 2.098 6.742 -5.400 1.00 10.00 C ATOM 1072 C LEU A 70 1.659 6.945 -6.848 1.00 10.00 C ATOM 1073 O LEU A 70 2.483 6.989 -7.761 1.00 10.00 O ATOM 1074 CB LEU A 70 2.197 8.115 -4.717 1.00 10.00 C ATOM 1075 CG LEU A 70 0.879 8.687 -4.164 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.446 7.951 -2.895 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.081 10.168 -3.826 1.00 10.00 C ATOM 0 H LEU A 70 4.131 6.630 -4.954 1.00 10.00 H new ATOM 0 HA LEU A 70 1.376 6.125 -4.865 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.911 8.041 -3.897 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.607 8.827 -5.433 1.00 10.00 H new ATOM 0 HG LEU A 70 0.106 8.562 -4.922 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.488 8.377 -2.528 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.299 6.894 -3.119 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.217 8.056 -2.132 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.152 10.582 -3.433 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.867 10.266 -3.077 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.368 10.711 -4.727 1.00 10.00 H new ATOM 1089 N LYS A 71 0.357 7.118 -7.019 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.317 7.385 -8.258 1.00 10.00 C ATOM 1091 C LYS A 71 -0.920 8.784 -8.154 1.00 10.00 C ATOM 1092 O LYS A 71 -0.439 9.708 -8.804 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.347 6.270 -8.420 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.291 6.533 -9.589 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.346 5.241 -10.397 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.136 5.316 -11.702 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.934 4.064 -12.461 1.00 10.00 N ATOM 0 H LYS A 71 -0.292 7.070 -6.234 1.00 10.00 H new ATOM 0 HA LYS A 71 0.324 7.385 -9.140 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.833 5.321 -8.575 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.925 6.174 -7.501 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.283 6.811 -9.232 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.930 7.359 -10.202 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.326 4.933 -10.627 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.782 4.461 -9.773 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.196 5.462 -11.492 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.807 6.171 -12.292 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.552 4.287 -13.402 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.264 3.453 -11.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.843 3.570 -12.564 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.949 8.945 -7.317 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.538 10.255 -7.067 1.00 10.00 C ATOM 1113 C GLY A 72 -3.925 10.171 -6.434 1.00 10.00 C ATOM 1114 O GLY A 72 -4.826 10.881 -6.867 1.00 10.00 O ATOM 0 H GLY A 72 -2.388 8.181 -6.803 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.879 10.825 -6.412 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.605 10.803 -8.007 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.060 9.336 -5.394 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.247 9.234 -4.546 1.00 10.00 C ATOM 1120 C GLU A 73 -6.462 8.643 -5.276 1.00 10.00 C ATOM 1121 O GLU A 73 -6.545 8.668 -6.500 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.568 10.585 -3.886 1.00 10.00 C ATOM 1123 CG GLU A 73 -4.343 11.246 -3.231 1.00 10.00 C ATOM 1124 CD GLU A 73 -4.682 12.626 -2.680 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -5.809 12.776 -2.160 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -3.809 13.512 -2.814 1.00 10.00 O ATOM 0 H GLU A 73 -3.319 8.693 -5.114 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.009 8.522 -3.755 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -5.979 11.260 -4.637 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.341 10.439 -3.131 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -3.973 10.612 -2.425 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -3.540 11.332 -3.963 1.00 10.00 H new