USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot -70:sc= 0.915 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.591 (180deg=0.153) USER MOD Single : A 2 GLN : amide:sc= -0.0035 K(o=-0.0035,f=-0.72) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.112 USER MOD Single : A 22 THR OG1 : rot 170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.19 K(o=1.2,f=-0.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= -0.0782 (180deg=-0.417) USER MOD Single : A 40 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 41 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0135 K(o=-0.014,f=-0.84) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 57 SER OG : rot -29:sc= 0.178 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.47 USER MOD Single : A 60 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.8!) USER MOD Single : A 62 GLN : amide:sc= -0.0186 K(o=-0.019,f=-0.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 108:sc= 0.152 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.624 30.557 17.982 1.00 0.00 N ATOM 2 CA MET A 1 11.832 30.610 19.441 1.00 0.00 C ATOM 3 C MET A 1 13.083 31.426 19.773 1.00 0.00 C ATOM 4 O MET A 1 13.999 31.392 18.953 1.00 0.00 O ATOM 5 CB MET A 1 11.833 29.259 20.151 1.00 0.00 C ATOM 6 CG MET A 1 13.096 28.398 20.143 1.00 0.00 C ATOM 7 SD MET A 1 13.607 28.050 18.447 1.00 0.00 S ATOM 8 CE MET A 1 15.297 27.542 18.856 1.00 0.00 C ATOM 0 H1 MET A 1 10.612 30.429 17.780 1.00 0.00 H new ATOM 0 H2 MET A 1 11.953 31.445 17.552 1.00 0.00 H new ATOM 0 H3 MET A 1 12.160 29.760 17.584 1.00 0.00 H new ATOM 0 HA MET A 1 10.952 31.114 19.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.569 29.439 21.193 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.030 28.663 19.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.898 28.912 20.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.911 27.464 20.673 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.827 27.271 17.943 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.816 28.366 19.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.267 26.683 19.526 1.00 0.00 H new ATOM 20 N GLN A 2 13.159 32.090 20.923 1.00 0.00 N ATOM 21 CA GLN A 2 14.354 32.834 21.273 1.00 0.00 C ATOM 22 C GLN A 2 15.029 32.061 22.406 1.00 0.00 C ATOM 23 O GLN A 2 14.358 31.616 23.328 1.00 0.00 O ATOM 24 CB GLN A 2 13.957 34.214 21.810 1.00 0.00 C ATOM 25 CG GLN A 2 13.300 34.998 20.664 1.00 0.00 C ATOM 26 CD GLN A 2 13.289 36.511 20.866 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.086 37.099 21.593 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.278 37.085 20.230 1.00 0.00 N ATOM 0 H GLN A 2 12.414 32.125 21.618 1.00 0.00 H new ATOM 0 HA GLN A 2 15.006 32.954 20.408 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.267 34.113 22.647 1.00 0.00 H new ATOM 0 HB3 GLN A 2 14.833 34.745 22.182 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.824 34.771 19.736 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.274 34.651 20.543 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.660 36.524 19.644 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.118 38.088 20.327 1.00 0.00 H new ATOM 37 N ILE A 3 16.352 31.942 22.406 1.00 0.00 N ATOM 38 CA ILE A 3 17.188 31.143 23.287 1.00 0.00 C ATOM 39 C ILE A 3 18.408 31.998 23.626 1.00 0.00 C ATOM 40 O ILE A 3 18.761 32.908 22.889 1.00 0.00 O ATOM 41 CB ILE A 3 17.641 29.872 22.571 1.00 0.00 C ATOM 42 CG1 ILE A 3 18.417 30.006 21.263 1.00 0.00 C ATOM 43 CG2 ILE A 3 16.431 28.986 22.280 1.00 0.00 C ATOM 44 CD1 ILE A 3 19.925 29.880 21.505 1.00 0.00 C ATOM 0 H ILE A 3 16.916 32.451 21.725 1.00 0.00 H new ATOM 0 HA ILE A 3 16.641 30.852 24.184 1.00 0.00 H new ATOM 0 HB ILE A 3 18.354 29.454 23.282 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.092 29.237 20.562 1.00 0.00 H new ATOM 0 HG13 ILE A 3 18.198 30.970 20.803 1.00 0.00 H new ATOM 0 HG21 ILE A 3 16.758 28.080 21.769 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.942 28.718 23.217 1.00 0.00 H new ATOM 0 HG23 ILE A 3 15.728 29.527 21.646 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.455 29.979 20.558 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.251 30.665 22.187 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.143 28.906 21.943 1.00 0.00 H new ATOM 56 N PHE A 4 18.955 31.711 24.810 1.00 0.00 N ATOM 57 CA PHE A 4 20.128 32.387 25.313 1.00 0.00 C ATOM 58 C PHE A 4 21.357 31.479 25.218 1.00 0.00 C ATOM 59 O PHE A 4 21.355 30.277 25.467 1.00 0.00 O ATOM 60 CB PHE A 4 19.950 32.671 26.807 1.00 0.00 C ATOM 61 CG PHE A 4 18.913 33.703 27.158 1.00 0.00 C ATOM 62 CD1 PHE A 4 19.189 35.078 27.234 1.00 0.00 C ATOM 63 CD2 PHE A 4 17.727 33.221 27.731 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.201 35.871 27.831 1.00 0.00 C ATOM 65 CE2 PHE A 4 16.759 34.035 28.326 1.00 0.00 C ATOM 66 CZ PHE A 4 16.965 35.412 28.292 1.00 0.00 C ATOM 0 H PHE A 4 18.587 30.999 25.440 1.00 0.00 H new ATOM 0 HA PHE A 4 20.258 33.296 24.726 1.00 0.00 H new ATOM 0 HB2 PHE A 4 19.690 31.738 27.307 1.00 0.00 H new ATOM 0 HB3 PHE A 4 20.909 32.994 27.213 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.108 35.499 26.855 1.00 0.00 H new ATOM 0 HD2 PHE A 4 17.551 32.156 27.711 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.412 36.924 27.944 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.883 33.612 28.795 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.196 36.100 28.611 1.00 0.00 H new ATOM 76 N VAL A 5 22.474 32.111 24.856 1.00 0.00 N ATOM 77 CA VAL A 5 23.726 31.396 24.693 1.00 0.00 C ATOM 78 C VAL A 5 24.938 32.248 25.105 1.00 0.00 C ATOM 79 O VAL A 5 25.206 33.261 24.477 1.00 0.00 O ATOM 80 CB VAL A 5 23.989 30.666 23.381 1.00 0.00 C ATOM 81 CG1 VAL A 5 23.636 31.442 22.111 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.381 30.057 23.157 1.00 0.00 C ATOM 0 H VAL A 5 22.531 33.113 24.672 1.00 0.00 H new ATOM 0 HA VAL A 5 23.584 30.571 25.391 1.00 0.00 H new ATOM 0 HB VAL A 5 23.289 29.846 23.542 1.00 0.00 H new ATOM 0 HG11 VAL A 5 23.862 30.831 21.237 1.00 0.00 H new ATOM 0 HG12 VAL A 5 22.574 31.687 22.118 1.00 0.00 H new ATOM 0 HG13 VAL A 5 24.220 32.361 22.072 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.413 29.573 22.181 1.00 0.00 H new ATOM 0 HG22 VAL A 5 26.133 30.845 23.196 1.00 0.00 H new ATOM 0 HG23 VAL A 5 25.585 29.321 23.934 1.00 0.00 H new ATOM 92 N LYS A 6 25.503 31.862 26.252 1.00 0.00 N ATOM 93 CA LYS A 6 26.570 32.589 26.917 1.00 0.00 C ATOM 94 C LYS A 6 27.959 32.254 26.379 1.00 0.00 C ATOM 95 O LYS A 6 28.241 31.103 26.043 1.00 0.00 O ATOM 96 CB LYS A 6 26.510 32.434 28.435 1.00 0.00 C ATOM 97 CG LYS A 6 25.365 33.138 29.158 1.00 0.00 C ATOM 98 CD LYS A 6 25.296 32.704 30.626 1.00 0.00 C ATOM 99 CE LYS A 6 24.108 33.171 31.479 1.00 0.00 C ATOM 100 NZ LYS A 6 24.240 32.725 32.871 1.00 0.00 N ATOM 0 H LYS A 6 25.221 31.017 26.749 1.00 0.00 H new ATOM 0 HA LYS A 6 26.396 33.639 26.682 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.453 31.370 28.665 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.449 32.800 28.850 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.502 34.218 29.100 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.421 32.909 28.662 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.311 31.614 30.649 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.208 33.046 31.115 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.042 34.259 31.449 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.181 32.783 31.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.422 33.057 33.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.279 31.686 32.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.113 33.116 33.279 1.00 0.00 H new ATOM 114 N THR A 7 28.713 33.339 26.229 1.00 0.00 N ATOM 115 CA THR A 7 30.038 33.204 25.649 1.00 0.00 C ATOM 116 C THR A 7 31.052 32.684 26.673 1.00 0.00 C ATOM 117 O THR A 7 30.662 32.756 27.840 1.00 0.00 O ATOM 118 CB THR A 7 30.362 34.513 24.932 1.00 0.00 C ATOM 119 OG1 THR A 7 30.409 35.661 25.760 1.00 0.00 O ATOM 120 CG2 THR A 7 29.528 34.797 23.676 1.00 0.00 C ATOM 0 H THR A 7 28.440 34.286 26.491 1.00 0.00 H new ATOM 0 HA THR A 7 30.087 32.426 24.887 1.00 0.00 H new ATOM 0 HB THR A 7 31.382 34.317 24.600 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.503 35.886 26.059 1.00 0.00 H new ATOM 0 HG21 THR A 7 29.836 35.749 23.242 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.683 34.000 22.949 1.00 0.00 H new ATOM 0 HG23 THR A 7 28.472 34.844 23.943 1.00 0.00 H new ATOM 128 N LEU A 8 32.260 32.329 26.257 1.00 0.00 N ATOM 129 CA LEU A 8 33.244 31.743 27.151 1.00 0.00 C ATOM 130 C LEU A 8 33.700 32.564 28.352 1.00 0.00 C ATOM 131 O LEU A 8 34.493 32.098 29.162 1.00 0.00 O ATOM 132 CB LEU A 8 34.488 31.467 26.306 1.00 0.00 C ATOM 133 CG LEU A 8 35.485 30.447 26.846 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.089 28.984 26.645 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.894 30.653 26.284 1.00 0.00 C ATOM 0 H LEU A 8 32.582 32.439 25.296 1.00 0.00 H new ATOM 0 HA LEU A 8 32.747 30.875 27.585 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.160 31.131 25.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.015 32.410 26.162 1.00 0.00 H new ATOM 0 HG LEU A 8 35.475 30.640 27.919 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.861 28.337 27.062 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.142 28.791 27.149 1.00 0.00 H new ATOM 0 HD13 LEU A 8 34.981 28.779 25.580 1.00 0.00 H new ATOM 0 HD21 LEU A 8 37.565 29.901 26.700 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.870 30.558 25.198 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.251 31.647 26.553 1.00 0.00 H new ATOM 147 N THR A 9 33.370 33.850 28.316 1.00 0.00 N ATOM 148 CA THR A 9 33.718 34.826 29.329 1.00 0.00 C ATOM 149 C THR A 9 32.486 35.224 30.147 1.00 0.00 C ATOM 150 O THR A 9 32.595 35.791 31.236 1.00 0.00 O ATOM 151 CB THR A 9 34.204 36.079 28.602 1.00 0.00 C ATOM 152 OG1 THR A 9 33.107 36.740 28.005 1.00 0.00 O ATOM 153 CG2 THR A 9 35.206 35.810 27.474 1.00 0.00 C ATOM 0 H THR A 9 32.832 34.252 27.548 1.00 0.00 H new ATOM 0 HA THR A 9 34.472 34.404 29.994 1.00 0.00 H new ATOM 0 HB THR A 9 34.700 36.673 29.370 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.422 37.544 27.541 1.00 0.00 H new ATOM 0 HG21 THR A 9 35.497 36.754 27.013 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.089 35.317 27.881 1.00 0.00 H new ATOM 0 HG23 THR A 9 34.745 35.167 26.724 1.00 0.00 H new ATOM 161 N GLY A 10 31.316 34.753 29.753 1.00 0.00 N ATOM 162 CA GLY A 10 30.098 34.822 30.535 1.00 0.00 C ATOM 163 C GLY A 10 29.087 35.813 29.966 1.00 0.00 C ATOM 164 O GLY A 10 28.073 36.083 30.609 1.00 0.00 O ATOM 0 H GLY A 10 31.185 34.297 28.850 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.644 33.832 30.580 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.344 35.107 31.558 1.00 0.00 H new ATOM 168 N LYS A 11 29.340 36.487 28.841 1.00 0.00 N ATOM 169 CA LYS A 11 28.646 37.617 28.252 1.00 0.00 C ATOM 170 C LYS A 11 27.518 36.933 27.477 1.00 0.00 C ATOM 171 O LYS A 11 27.735 36.062 26.634 1.00 0.00 O ATOM 172 CB LYS A 11 29.554 38.534 27.439 1.00 0.00 C ATOM 173 CG LYS A 11 28.993 39.341 26.267 1.00 0.00 C ATOM 174 CD LYS A 11 29.922 40.417 25.721 1.00 0.00 C ATOM 175 CE LYS A 11 29.229 41.188 24.601 1.00 0.00 C ATOM 176 NZ LYS A 11 30.265 42.029 23.986 1.00 0.00 N ATOM 0 H LYS A 11 30.132 36.214 28.259 1.00 0.00 H new ATOM 0 HA LYS A 11 28.261 38.333 28.978 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.000 39.245 28.135 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.365 37.920 27.048 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.744 38.653 25.459 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.062 39.812 26.583 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.209 41.100 26.520 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.839 39.961 25.347 1.00 0.00 H new ATOM 0 HE2 LYS A 11 28.795 40.507 23.869 1.00 0.00 H new ATOM 0 HE3 LYS A 11 28.414 41.797 24.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.848 42.582 23.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.656 42.676 24.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.025 41.426 23.612 1.00 0.00 H new ATOM 190 N THR A 12 26.305 37.289 27.863 1.00 0.00 N ATOM 191 CA THR A 12 25.128 36.549 27.440 1.00 0.00 C ATOM 192 C THR A 12 24.698 37.195 26.117 1.00 0.00 C ATOM 193 O THR A 12 24.697 38.420 26.032 1.00 0.00 O ATOM 194 CB THR A 12 23.984 36.862 28.401 1.00 0.00 C ATOM 195 OG1 THR A 12 24.523 36.890 29.710 1.00 0.00 O ATOM 196 CG2 THR A 12 22.805 35.914 28.163 1.00 0.00 C ATOM 0 H THR A 12 26.109 38.086 28.469 1.00 0.00 H new ATOM 0 HA THR A 12 25.335 35.480 27.385 1.00 0.00 H new ATOM 0 HB THR A 12 23.544 37.845 28.231 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.811 37.091 30.353 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.000 36.153 28.858 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.447 36.028 27.140 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.128 34.885 28.322 1.00 0.00 H new ATOM 204 N ILE A 13 24.378 36.369 25.115 1.00 0.00 N ATOM 205 CA ILE A 13 23.747 36.727 23.867 1.00 0.00 C ATOM 206 C ILE A 13 22.423 35.972 23.712 1.00 0.00 C ATOM 207 O ILE A 13 22.289 34.857 24.211 1.00 0.00 O ATOM 208 CB ILE A 13 24.656 36.438 22.673 1.00 0.00 C ATOM 209 CG1 ILE A 13 26.030 37.085 22.805 1.00 0.00 C ATOM 210 CG2 ILE A 13 24.047 36.752 21.307 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.098 36.416 21.934 1.00 0.00 C ATOM 0 H ILE A 13 24.571 35.369 25.171 1.00 0.00 H new ATOM 0 HA ILE A 13 23.554 37.800 23.888 1.00 0.00 H new ATOM 0 HB ILE A 13 24.778 35.355 22.707 1.00 0.00 H new ATOM 0 HG12 ILE A 13 25.956 38.138 22.533 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.344 37.046 23.848 1.00 0.00 H new ATOM 0 HG21 ILE A 13 24.767 36.514 20.524 1.00 0.00 H new ATOM 0 HG22 ILE A 13 23.146 36.156 21.165 1.00 0.00 H new ATOM 0 HG23 ILE A 13 23.793 37.811 21.257 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.052 36.924 22.074 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.198 35.369 22.221 1.00 0.00 H new ATOM 0 HD13 ILE A 13 26.804 36.478 20.886 1.00 0.00 H new ATOM 223 N THR A 14 21.504 36.573 22.960 1.00 0.00 N ATOM 224 CA THR A 14 20.314 35.841 22.579 1.00 0.00 C ATOM 225 C THR A 14 20.407 35.817 21.049 1.00 0.00 C ATOM 226 O THR A 14 20.513 36.914 20.504 1.00 0.00 O ATOM 227 CB THR A 14 19.117 36.730 22.922 1.00 0.00 C ATOM 228 OG1 THR A 14 18.851 36.536 24.291 1.00 0.00 O ATOM 229 CG2 THR A 14 17.756 36.301 22.369 1.00 0.00 C ATOM 0 H THR A 14 21.561 37.531 22.616 1.00 0.00 H new ATOM 0 HA THR A 14 20.222 34.861 23.047 1.00 0.00 H new ATOM 0 HB THR A 14 19.407 37.710 22.543 1.00 0.00 H new ATOM 0 HG1 THR A 14 18.088 37.090 24.558 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.994 37.014 22.684 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.798 36.272 21.280 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.505 35.311 22.749 1.00 0.00 H new ATOM 237 N LEU A 15 20.400 34.631 20.446 1.00 0.00 N ATOM 238 CA LEU A 15 20.531 34.212 19.067 1.00 0.00 C ATOM 239 C LEU A 15 19.258 33.522 18.571 1.00 0.00 C ATOM 240 O LEU A 15 18.774 32.755 19.397 1.00 0.00 O ATOM 241 CB LEU A 15 21.695 33.236 18.879 1.00 0.00 C ATOM 242 CG LEU A 15 23.139 33.648 19.142 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.073 32.549 18.654 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.460 34.986 18.468 1.00 0.00 C ATOM 0 H LEU A 15 20.280 33.803 21.029 1.00 0.00 H new ATOM 0 HA LEU A 15 20.715 35.120 18.492 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.491 32.376 19.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.650 32.886 17.848 1.00 0.00 H new ATOM 0 HG LEU A 15 23.282 33.784 20.214 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.107 32.840 18.841 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.855 31.623 19.187 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.927 32.395 17.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.496 35.257 18.671 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.313 34.896 17.392 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.799 35.759 18.861 1.00 0.00 H new ATOM 256 N GLU A 16 18.835 33.755 17.333 1.00 0.00 N ATOM 257 CA GLU A 16 17.815 32.990 16.637 1.00 0.00 C ATOM 258 C GLU A 16 18.669 32.065 15.773 1.00 0.00 C ATOM 259 O GLU A 16 19.388 32.558 14.906 1.00 0.00 O ATOM 260 CB GLU A 16 17.147 34.005 15.705 1.00 0.00 C ATOM 261 CG GLU A 16 15.705 34.305 16.108 1.00 0.00 C ATOM 262 CD GLU A 16 14.595 33.346 15.685 1.00 0.00 C ATOM 263 OE1 GLU A 16 14.873 32.340 14.999 1.00 0.00 O ATOM 264 OE2 GLU A 16 13.420 33.720 15.882 1.00 0.00 O ATOM 0 H GLU A 16 19.212 34.515 16.766 1.00 0.00 H new ATOM 0 HA GLU A 16 17.082 32.471 17.255 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.722 34.931 15.708 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.164 33.623 14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.677 34.378 17.195 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.454 35.290 15.715 1.00 0.00 H new ATOM 271 N VAL A 17 18.536 30.753 15.950 1.00 0.00 N ATOM 272 CA VAL A 17 19.390 29.704 15.416 1.00 0.00 C ATOM 273 C VAL A 17 18.562 28.665 14.667 1.00 0.00 C ATOM 274 O VAL A 17 19.226 27.961 13.916 1.00 0.00 O ATOM 275 CB VAL A 17 20.302 29.080 16.474 1.00 0.00 C ATOM 276 CG1 VAL A 17 21.458 30.036 16.757 1.00 0.00 C ATOM 277 CG2 VAL A 17 19.731 28.541 17.781 1.00 0.00 C ATOM 0 H VAL A 17 17.774 30.372 16.510 1.00 0.00 H new ATOM 0 HA VAL A 17 20.065 30.169 14.698 1.00 0.00 H new ATOM 0 HB VAL A 17 20.595 28.147 15.993 1.00 0.00 H new ATOM 0 HG11 VAL A 17 22.114 29.600 17.510 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.022 30.207 15.840 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.065 30.984 17.123 1.00 0.00 H new ATOM 0 HG21 VAL A 17 20.539 28.141 18.394 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.232 29.346 18.319 1.00 0.00 H new ATOM 0 HG23 VAL A 17 19.014 27.749 17.565 1.00 0.00 H new ATOM 287 N GLU A 18 17.250 28.546 14.869 1.00 0.00 N ATOM 288 CA GLU A 18 16.339 27.642 14.191 1.00 0.00 C ATOM 289 C GLU A 18 16.298 26.355 15.022 1.00 0.00 C ATOM 290 O GLU A 18 17.387 25.830 15.240 1.00 0.00 O ATOM 291 CB GLU A 18 16.554 27.450 12.694 1.00 0.00 C ATOM 292 CG GLU A 18 15.435 27.328 11.654 1.00 0.00 C ATOM 293 CD GLU A 18 14.753 28.639 11.284 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.327 29.382 12.188 1.00 0.00 O ATOM 295 OE2 GLU A 18 14.739 28.950 10.079 1.00 0.00 O ATOM 0 H GLU A 18 16.769 29.121 15.560 1.00 0.00 H new ATOM 0 HA GLU A 18 15.350 28.099 14.154 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.173 28.287 12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.158 26.548 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.848 26.883 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.681 26.638 12.033 1.00 0.00 H new ATOM 302 N PRO A 19 15.182 25.780 15.457 1.00 0.00 N ATOM 303 CA PRO A 19 15.106 24.545 16.216 1.00 0.00 C ATOM 304 C PRO A 19 15.355 23.295 15.373 1.00 0.00 C ATOM 305 O PRO A 19 16.069 22.401 15.825 1.00 0.00 O ATOM 306 CB PRO A 19 13.716 24.436 16.848 1.00 0.00 C ATOM 307 CG PRO A 19 12.907 25.385 15.968 1.00 0.00 C ATOM 308 CD PRO A 19 13.874 26.395 15.342 1.00 0.00 C ATOM 0 HA PRO A 19 15.894 24.589 16.968 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.330 23.417 16.816 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.715 24.745 17.893 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.382 24.829 15.191 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.149 25.899 16.559 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.620 26.592 14.300 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.840 27.351 15.864 1.00 0.00 H new ATOM 316 N SER A 20 15.020 23.351 14.083 1.00 0.00 N ATOM 317 CA SER A 20 15.109 22.325 13.063 1.00 0.00 C ATOM 318 C SER A 20 16.508 22.293 12.454 1.00 0.00 C ATOM 319 O SER A 20 16.736 21.474 11.571 1.00 0.00 O ATOM 320 CB SER A 20 14.002 22.592 12.047 1.00 0.00 C ATOM 321 OG SER A 20 13.926 23.973 11.787 1.00 0.00 O ATOM 0 H SER A 20 14.639 24.214 13.694 1.00 0.00 H new ATOM 0 HA SER A 20 14.959 21.329 13.480 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.202 22.048 11.124 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.048 22.230 12.430 1.00 0.00 H new ATOM 0 HG SER A 20 13.216 24.144 11.133 1.00 0.00 H new ATOM 327 N ASP A 21 17.431 23.214 12.736 1.00 0.00 N ATOM 328 CA ASP A 21 18.756 23.129 12.158 1.00 0.00 C ATOM 329 C ASP A 21 19.551 22.036 12.872 1.00 0.00 C ATOM 330 O ASP A 21 19.054 21.443 13.829 1.00 0.00 O ATOM 331 CB ASP A 21 19.593 24.409 12.173 1.00 0.00 C ATOM 332 CG ASP A 21 20.302 24.651 10.851 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.553 23.708 10.081 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.537 25.824 10.479 1.00 0.00 O ATOM 0 H ASP A 21 17.281 24.013 13.352 1.00 0.00 H new ATOM 0 HA ASP A 21 18.573 22.912 11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.949 25.259 12.398 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.331 24.348 12.973 1.00 0.00 H new ATOM 339 N THR A 22 20.818 21.819 12.523 1.00 0.00 N ATOM 340 CA THR A 22 21.555 20.702 13.074 1.00 0.00 C ATOM 341 C THR A 22 22.871 21.292 13.569 1.00 0.00 C ATOM 342 O THR A 22 23.114 22.478 13.359 1.00 0.00 O ATOM 343 CB THR A 22 21.643 19.587 12.031 1.00 0.00 C ATOM 344 OG1 THR A 22 22.177 19.972 10.775 1.00 0.00 O ATOM 345 CG2 THR A 22 20.335 18.923 11.623 1.00 0.00 C ATOM 0 H THR A 22 21.344 22.399 11.869 1.00 0.00 H new ATOM 0 HA THR A 22 21.082 20.208 13.923 1.00 0.00 H new ATOM 0 HB THR A 22 22.288 18.913 12.594 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.345 19.173 10.232 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.535 18.151 10.879 1.00 0.00 H new ATOM 0 HG22 THR A 22 19.868 18.471 12.498 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.664 19.670 11.199 1.00 0.00 H new ATOM 353 N ILE A 23 23.658 20.547 14.349 1.00 0.00 N ATOM 354 CA ILE A 23 24.765 21.039 15.151 1.00 0.00 C ATOM 355 C ILE A 23 25.885 21.554 14.255 1.00 0.00 C ATOM 356 O ILE A 23 26.540 22.524 14.636 1.00 0.00 O ATOM 357 CB ILE A 23 25.241 20.045 16.209 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.124 19.145 16.754 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.193 20.644 17.245 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.954 19.881 17.401 1.00 0.00 C ATOM 0 H ILE A 23 23.529 19.539 14.438 1.00 0.00 H new ATOM 0 HA ILE A 23 24.396 21.884 15.732 1.00 0.00 H new ATOM 0 HB ILE A 23 25.885 19.340 15.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.741 18.534 15.937 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.554 18.463 17.488 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.484 19.874 17.960 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.081 21.028 16.744 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.693 21.457 17.771 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.219 19.157 17.754 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.316 20.470 18.243 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.490 20.542 16.669 1.00 0.00 H new ATOM 372 N GLU A 24 26.214 20.949 13.109 1.00 0.00 N ATOM 373 CA GLU A 24 27.275 21.332 12.209 1.00 0.00 C ATOM 374 C GLU A 24 27.085 22.777 11.769 1.00 0.00 C ATOM 375 O GLU A 24 27.973 23.619 11.769 1.00 0.00 O ATOM 376 CB GLU A 24 27.426 20.374 11.029 1.00 0.00 C ATOM 377 CG GLU A 24 26.713 20.564 9.687 1.00 0.00 C ATOM 378 CD GLU A 24 27.260 19.558 8.680 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.473 19.547 8.409 1.00 0.00 O ATOM 380 OE2 GLU A 24 26.472 18.654 8.305 1.00 0.00 O ATOM 0 H GLU A 24 25.707 20.129 12.776 1.00 0.00 H new ATOM 0 HA GLU A 24 28.218 21.262 12.751 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.492 20.328 10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.134 19.389 11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.639 20.426 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.864 21.580 9.322 1.00 0.00 H new ATOM 387 N ASN A 25 25.862 23.277 11.593 1.00 0.00 N ATOM 388 CA ASN A 25 25.632 24.632 11.146 1.00 0.00 C ATOM 389 C ASN A 25 25.697 25.699 12.242 1.00 0.00 C ATOM 390 O ASN A 25 25.753 26.884 11.953 1.00 0.00 O ATOM 391 CB ASN A 25 24.262 24.680 10.451 1.00 0.00 C ATOM 392 CG ASN A 25 24.108 25.876 9.528 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.954 26.280 8.737 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.935 26.501 9.491 1.00 0.00 N ATOM 0 H ASN A 25 25.008 22.745 11.759 1.00 0.00 H new ATOM 0 HA ASN A 25 26.448 24.880 10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.119 23.764 9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.478 24.708 11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.785 27.265 8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.185 26.216 10.122 1.00 0.00 H new ATOM 401 N VAL A 26 25.912 25.261 13.478 1.00 0.00 N ATOM 402 CA VAL A 26 26.072 26.148 14.622 1.00 0.00 C ATOM 403 C VAL A 26 27.578 26.422 14.635 1.00 0.00 C ATOM 404 O VAL A 26 27.957 27.596 14.564 1.00 0.00 O ATOM 405 CB VAL A 26 25.604 25.502 15.917 1.00 0.00 C ATOM 406 CG1 VAL A 26 26.198 26.031 17.226 1.00 0.00 C ATOM 407 CG2 VAL A 26 24.067 25.517 15.899 1.00 0.00 C ATOM 0 H VAL A 26 25.981 24.271 13.715 1.00 0.00 H new ATOM 0 HA VAL A 26 25.472 27.054 14.543 1.00 0.00 H new ATOM 0 HB VAL A 26 26.000 24.487 15.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.775 25.480 18.066 1.00 0.00 H new ATOM 0 HG12 VAL A 26 27.280 25.900 17.214 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.962 27.090 17.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.688 25.061 16.814 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.714 26.546 15.833 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.708 24.955 15.037 1.00 0.00 H new ATOM 417 N LYS A 27 28.398 25.386 14.494 1.00 0.00 N ATOM 418 CA LYS A 27 29.837 25.492 14.442 1.00 0.00 C ATOM 419 C LYS A 27 30.331 26.237 13.197 1.00 0.00 C ATOM 420 O LYS A 27 31.337 26.928 13.262 1.00 0.00 O ATOM 421 CB LYS A 27 30.435 24.087 14.366 1.00 0.00 C ATOM 422 CG LYS A 27 30.285 23.279 15.651 1.00 0.00 C ATOM 423 CD LYS A 27 30.977 21.911 15.713 1.00 0.00 C ATOM 424 CE LYS A 27 30.342 20.884 14.789 1.00 0.00 C ATOM 425 NZ LYS A 27 30.902 19.527 14.975 1.00 0.00 N ATOM 0 H LYS A 27 28.063 24.426 14.411 1.00 0.00 H new ATOM 0 HA LYS A 27 30.143 26.039 15.334 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.959 23.544 13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.494 24.167 14.120 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.663 23.884 16.475 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.221 23.126 15.830 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.028 22.029 15.449 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.945 21.540 16.737 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.267 20.857 14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.486 21.194 13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.435 18.866 14.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.923 19.543 14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.742 19.217 15.955 1.00 0.00 H new ATOM 439 N ALA A 28 29.586 26.156 12.094 1.00 0.00 N ATOM 440 CA ALA A 28 29.775 26.854 10.838 1.00 0.00 C ATOM 441 C ALA A 28 29.486 28.339 11.077 1.00 0.00 C ATOM 442 O ALA A 28 30.371 29.134 10.751 1.00 0.00 O ATOM 443 CB ALA A 28 28.784 26.385 9.774 1.00 0.00 C ATOM 0 H ALA A 28 28.768 25.547 12.062 1.00 0.00 H new ATOM 0 HA ALA A 28 30.792 26.664 10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.959 26.932 8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.919 25.318 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.766 26.570 10.118 1.00 0.00 H new ATOM 449 N LYS A 29 28.452 28.643 11.847 1.00 0.00 N ATOM 450 CA LYS A 29 28.228 30.034 12.203 1.00 0.00 C ATOM 451 C LYS A 29 29.197 30.644 13.226 1.00 0.00 C ATOM 452 O LYS A 29 29.602 31.784 13.006 1.00 0.00 O ATOM 453 CB LYS A 29 26.795 30.282 12.653 1.00 0.00 C ATOM 454 CG LYS A 29 25.757 30.554 11.564 1.00 0.00 C ATOM 455 CD LYS A 29 24.347 30.427 12.138 1.00 0.00 C ATOM 456 CE LYS A 29 23.156 30.788 11.241 1.00 0.00 C ATOM 457 NZ LYS A 29 22.905 29.847 10.142 1.00 0.00 N ATOM 0 H LYS A 29 27.780 27.975 12.224 1.00 0.00 H new ATOM 0 HA LYS A 29 28.432 30.553 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 26.466 29.414 13.224 1.00 0.00 H new ATOM 0 HB3 LYS A 29 26.798 31.131 13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.902 31.553 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.888 29.850 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 29 24.214 29.396 12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 29 24.294 31.054 13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.260 30.851 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.323 31.780 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.085 30.169 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.741 29.802 9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.711 28.902 10.531 1.00 0.00 H new ATOM 471 N ILE A 30 29.778 29.917 14.174 1.00 0.00 N ATOM 472 CA ILE A 30 30.864 30.377 15.019 1.00 0.00 C ATOM 473 C ILE A 30 32.150 30.591 14.215 1.00 0.00 C ATOM 474 O ILE A 30 32.757 31.656 14.212 1.00 0.00 O ATOM 475 CB ILE A 30 31.211 29.339 16.087 1.00 0.00 C ATOM 476 CG1 ILE A 30 30.164 29.010 17.140 1.00 0.00 C ATOM 477 CG2 ILE A 30 32.542 29.469 16.827 1.00 0.00 C ATOM 478 CD1 ILE A 30 30.203 27.568 17.647 1.00 0.00 C ATOM 0 H ILE A 30 29.493 28.959 14.379 1.00 0.00 H new ATOM 0 HA ILE A 30 30.518 31.310 15.464 1.00 0.00 H new ATOM 0 HB ILE A 30 31.278 28.519 15.371 1.00 0.00 H new ATOM 0 HG12 ILE A 30 30.296 29.683 17.987 1.00 0.00 H new ATOM 0 HG13 ILE A 30 29.176 29.209 16.726 1.00 0.00 H new ATOM 0 HG21 ILE A 30 32.637 28.658 17.549 1.00 0.00 H new ATOM 0 HG22 ILE A 30 33.363 29.416 16.112 1.00 0.00 H new ATOM 0 HG23 ILE A 30 32.576 30.426 17.348 1.00 0.00 H new ATOM 0 HD11 ILE A 30 29.423 27.424 18.394 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.039 26.885 16.814 1.00 0.00 H new ATOM 0 HD13 ILE A 30 31.176 27.366 18.095 1.00 0.00 H new ATOM 490 N GLN A 31 32.549 29.655 13.359 1.00 0.00 N ATOM 491 CA GLN A 31 33.615 29.781 12.377 1.00 0.00 C ATOM 492 C GLN A 31 33.631 31.002 11.446 1.00 0.00 C ATOM 493 O GLN A 31 34.651 31.678 11.417 1.00 0.00 O ATOM 494 CB GLN A 31 33.724 28.475 11.598 1.00 0.00 C ATOM 495 CG GLN A 31 34.620 28.428 10.364 1.00 0.00 C ATOM 496 CD GLN A 31 34.518 27.051 9.710 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.293 26.787 8.794 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.506 26.235 9.996 1.00 0.00 N ATOM 0 H GLN A 31 32.109 28.735 13.333 1.00 0.00 H new ATOM 0 HA GLN A 31 34.501 29.983 12.979 1.00 0.00 H new ATOM 0 HB2 GLN A 31 34.073 27.707 12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 31 32.719 28.191 11.287 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.322 29.201 9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 31 35.653 28.633 10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.867 26.462 10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.369 25.383 9.453 1.00 0.00 H new ATOM 507 N ASP A 32 32.495 31.244 10.789 1.00 0.00 N ATOM 508 CA ASP A 32 32.125 32.419 10.024 1.00 0.00 C ATOM 509 C ASP A 32 32.245 33.774 10.725 1.00 0.00 C ATOM 510 O ASP A 32 32.649 34.712 10.051 1.00 0.00 O ATOM 511 CB ASP A 32 30.753 32.050 9.476 1.00 0.00 C ATOM 512 CG ASP A 32 29.968 33.095 8.697 1.00 0.00 C ATOM 513 OD1 ASP A 32 30.273 33.263 7.493 1.00 0.00 O ATOM 514 OD2 ASP A 32 29.089 33.740 9.310 1.00 0.00 O ATOM 0 H ASP A 32 31.746 30.552 10.784 1.00 0.00 H new ATOM 0 HA ASP A 32 32.843 32.631 9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.879 31.182 8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 32 30.136 31.734 10.317 1.00 0.00 H new ATOM 519 N LYS A 33 31.925 33.892 12.014 1.00 0.00 N ATOM 520 CA LYS A 33 32.130 35.074 12.826 1.00 0.00 C ATOM 521 C LYS A 33 33.602 35.508 12.841 1.00 0.00 C ATOM 522 O LYS A 33 33.874 36.615 12.379 1.00 0.00 O ATOM 523 CB LYS A 33 31.476 34.931 14.193 1.00 0.00 C ATOM 524 CG LYS A 33 30.804 36.216 14.704 1.00 0.00 C ATOM 525 CD LYS A 33 31.698 37.292 15.311 1.00 0.00 C ATOM 526 CE LYS A 33 30.916 38.561 15.647 1.00 0.00 C ATOM 527 NZ LYS A 33 30.326 39.179 14.452 1.00 0.00 N ATOM 0 H LYS A 33 31.497 33.127 12.536 1.00 0.00 H new ATOM 0 HA LYS A 33 31.611 35.913 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 33 30.730 34.138 14.146 1.00 0.00 H new ATOM 0 HB3 LYS A 33 32.231 34.617 14.914 1.00 0.00 H new ATOM 0 HG2 LYS A 33 30.259 36.663 13.872 1.00 0.00 H new ATOM 0 HG3 LYS A 33 30.065 35.932 15.453 1.00 0.00 H new ATOM 0 HD2 LYS A 33 32.168 36.905 16.215 1.00 0.00 H new ATOM 0 HD3 LYS A 33 32.500 37.534 14.613 1.00 0.00 H new ATOM 0 HE2 LYS A 33 30.126 38.322 16.359 1.00 0.00 H new ATOM 0 HE3 LYS A 33 31.578 39.276 16.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 30.535 40.198 14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 30.729 38.740 13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 29.296 39.037 14.461 1.00 0.00 H new ATOM 541 N GLU A 34 34.487 34.676 13.357 1.00 0.00 N ATOM 542 CA GLU A 34 35.769 35.115 13.863 1.00 0.00 C ATOM 543 C GLU A 34 36.955 34.283 13.351 1.00 0.00 C ATOM 544 O GLU A 34 38.139 34.597 13.443 1.00 0.00 O ATOM 545 CB GLU A 34 35.734 35.401 15.363 1.00 0.00 C ATOM 546 CG GLU A 34 35.378 36.839 15.733 1.00 0.00 C ATOM 547 CD GLU A 34 36.627 37.710 15.712 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.381 37.565 16.704 1.00 0.00 O ATOM 549 OE2 GLU A 34 36.803 38.485 14.747 1.00 0.00 O ATOM 0 H GLU A 34 34.333 33.671 13.436 1.00 0.00 H new ATOM 0 HA GLU A 34 35.973 36.090 13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 34 35.011 34.731 15.829 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.710 35.163 15.787 1.00 0.00 H new ATOM 0 HG2 GLU A 34 34.640 37.231 15.033 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.923 36.866 16.723 1.00 0.00 H new ATOM 556 N GLY A 35 36.609 33.192 12.679 1.00 0.00 N ATOM 557 CA GLY A 35 37.611 32.328 12.097 1.00 0.00 C ATOM 558 C GLY A 35 38.004 31.101 12.927 1.00 0.00 C ATOM 559 O GLY A 35 39.168 30.707 12.954 1.00 0.00 O ATOM 0 H GLY A 35 35.646 32.891 12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 35 37.248 31.985 11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 35 38.508 32.919 11.911 1.00 0.00 H new ATOM 563 N ILE A 36 37.076 30.527 13.685 1.00 0.00 N ATOM 564 CA ILE A 36 37.264 29.537 14.722 1.00 0.00 C ATOM 565 C ILE A 36 37.363 28.166 14.053 1.00 0.00 C ATOM 566 O ILE A 36 36.449 27.876 13.286 1.00 0.00 O ATOM 567 CB ILE A 36 36.165 29.607 15.778 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.779 31.009 16.264 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.481 28.722 16.990 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.812 32.080 16.613 1.00 0.00 C ATOM 0 H ILE A 36 36.091 30.768 13.574 1.00 0.00 H new ATOM 0 HA ILE A 36 38.188 29.733 15.266 1.00 0.00 H new ATOM 0 HB ILE A 36 35.294 29.231 15.242 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.136 31.437 15.495 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.164 30.870 17.153 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.674 28.801 17.718 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.579 27.685 16.668 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.415 29.050 17.447 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.301 32.988 16.932 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.451 31.720 17.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.422 32.296 15.736 1.00 0.00 H new ATOM 582 N PRO A 37 38.364 27.345 14.356 1.00 0.00 N ATOM 583 CA PRO A 37 38.423 25.985 13.868 1.00 0.00 C ATOM 584 C PRO A 37 37.354 25.092 14.517 1.00 0.00 C ATOM 585 O PRO A 37 37.227 25.158 15.739 1.00 0.00 O ATOM 586 CB PRO A 37 39.832 25.522 14.246 1.00 0.00 C ATOM 587 CG PRO A 37 40.286 26.353 15.438 1.00 0.00 C ATOM 588 CD PRO A 37 39.424 27.610 15.310 1.00 0.00 C ATOM 0 HA PRO A 37 38.227 25.925 12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 37 39.832 24.461 14.497 1.00 0.00 H new ATOM 0 HB3 PRO A 37 40.515 25.651 13.407 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.114 25.837 16.382 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.350 26.584 15.391 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.003 27.881 16.278 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.030 28.453 14.978 1.00 0.00 H new ATOM 596 N PRO A 38 36.551 24.376 13.735 1.00 0.00 N ATOM 597 CA PRO A 38 35.361 23.651 14.126 1.00 0.00 C ATOM 598 C PRO A 38 35.681 22.393 14.937 1.00 0.00 C ATOM 599 O PRO A 38 34.886 21.988 15.790 1.00 0.00 O ATOM 600 CB PRO A 38 34.628 23.369 12.821 1.00 0.00 C ATOM 601 CG PRO A 38 35.765 23.238 11.796 1.00 0.00 C ATOM 602 CD PRO A 38 36.796 24.251 12.306 1.00 0.00 C ATOM 0 HA PRO A 38 34.734 24.228 14.806 1.00 0.00 H new ATOM 0 HB2 PRO A 38 34.035 22.457 12.882 1.00 0.00 H new ATOM 0 HB3 PRO A 38 33.944 24.177 12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 38 36.170 22.227 11.768 1.00 0.00 H new ATOM 0 HG3 PRO A 38 35.429 23.475 10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 38 37.812 23.907 12.111 1.00 0.00 H new ATOM 0 HD3 PRO A 38 36.683 25.212 11.804 1.00 0.00 H new ATOM 610 N ASP A 39 36.776 21.720 14.630 1.00 0.00 N ATOM 611 CA ASP A 39 37.362 20.455 15.039 1.00 0.00 C ATOM 612 C ASP A 39 37.833 20.535 16.494 1.00 0.00 C ATOM 613 O ASP A 39 38.079 19.532 17.155 1.00 0.00 O ATOM 614 CB ASP A 39 38.458 19.991 14.070 1.00 0.00 C ATOM 615 CG ASP A 39 39.440 21.117 13.780 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.174 21.911 12.851 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.590 21.044 14.259 1.00 0.00 O ATOM 0 H ASP A 39 37.399 22.145 13.943 1.00 0.00 H new ATOM 0 HA ASP A 39 36.593 19.684 14.993 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.990 19.140 14.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.005 19.650 13.139 1.00 0.00 H new ATOM 622 N GLN A 40 38.019 21.761 16.966 1.00 0.00 N ATOM 623 CA GLN A 40 38.519 22.097 18.283 1.00 0.00 C ATOM 624 C GLN A 40 37.321 22.341 19.211 1.00 0.00 C ATOM 625 O GLN A 40 37.558 22.567 20.387 1.00 0.00 O ATOM 626 CB GLN A 40 39.282 23.414 18.110 1.00 0.00 C ATOM 627 CG GLN A 40 40.041 23.870 19.357 1.00 0.00 C ATOM 628 CD GLN A 40 41.053 22.823 19.802 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.167 22.730 19.301 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.797 22.023 20.831 1.00 0.00 N ATOM 0 H GLN A 40 37.813 22.588 16.406 1.00 0.00 H new ATOM 0 HA GLN A 40 39.147 21.310 18.701 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.989 23.305 17.288 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.577 24.194 17.823 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.554 24.810 19.150 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.335 24.063 20.165 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.886 22.056 21.288 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.511 21.376 21.164 1.00 0.00 H new ATOM 639 N GLN A 41 36.055 22.318 18.810 1.00 0.00 N ATOM 640 CA GLN A 41 34.837 22.671 19.522 1.00 0.00 C ATOM 641 C GLN A 41 34.167 21.438 20.129 1.00 0.00 C ATOM 642 O GLN A 41 33.699 20.536 19.434 1.00 0.00 O ATOM 643 CB GLN A 41 33.815 23.200 18.510 1.00 0.00 C ATOM 644 CG GLN A 41 34.258 24.490 17.833 1.00 0.00 C ATOM 645 CD GLN A 41 34.601 25.535 18.890 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.662 25.494 19.507 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.750 26.551 19.025 1.00 0.00 N ATOM 0 H GLN A 41 35.835 22.014 17.862 1.00 0.00 H new ATOM 0 HA GLN A 41 35.111 23.392 20.293 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.639 22.439 17.749 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.865 23.370 19.017 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.125 24.301 17.200 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.465 24.862 17.184 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.876 26.557 18.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.972 27.322 19.654 1.00 0.00 H new ATOM 656 N ARG A 42 34.218 21.263 21.454 1.00 0.00 N ATOM 657 CA ARG A 42 33.526 20.369 22.352 1.00 0.00 C ATOM 658 C ARG A 42 32.306 21.119 22.887 1.00 0.00 C ATOM 659 O ARG A 42 32.392 22.069 23.670 1.00 0.00 O ATOM 660 CB ARG A 42 34.517 19.936 23.434 1.00 0.00 C ATOM 661 CG ARG A 42 34.089 18.843 24.411 1.00 0.00 C ATOM 662 CD ARG A 42 35.168 18.435 25.417 1.00 0.00 C ATOM 663 NE ARG A 42 35.984 17.313 24.948 1.00 0.00 N ATOM 664 CZ ARG A 42 37.246 17.185 25.355 1.00 0.00 C ATOM 665 NH1 ARG A 42 37.814 17.991 26.262 1.00 0.00 N ATOM 666 NH2 ARG A 42 38.066 16.243 24.882 1.00 0.00 N ATOM 0 H ARG A 42 34.855 21.850 21.993 1.00 0.00 H new ATOM 0 HA ARG A 42 33.164 19.459 21.873 1.00 0.00 H new ATOM 0 HB2 ARG A 42 35.427 19.600 22.937 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.780 20.819 24.017 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.211 19.185 24.958 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.788 17.963 23.843 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.814 19.290 25.617 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.695 18.165 26.361 1.00 0.00 H new ATOM 0 HE ARG A 42 35.585 16.627 24.307 1.00 0.00 H new ATOM 0 HH11 ARG A 42 37.275 18.750 26.678 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.786 17.846 26.536 1.00 0.00 H new ATOM 0 HH21 ARG A 42 37.733 15.583 24.179 1.00 0.00 H new ATOM 0 HH22 ARG A 42 39.025 16.183 25.224 1.00 0.00 H new ATOM 680 N LEU A 43 31.143 20.805 22.325 1.00 0.00 N ATOM 681 CA LEU A 43 29.863 21.427 22.550 1.00 0.00 C ATOM 682 C LEU A 43 28.977 20.568 23.442 1.00 0.00 C ATOM 683 O LEU A 43 28.404 19.594 22.946 1.00 0.00 O ATOM 684 CB LEU A 43 29.066 21.693 21.266 1.00 0.00 C ATOM 685 CG LEU A 43 29.244 22.935 20.399 1.00 0.00 C ATOM 686 CD1 LEU A 43 30.656 23.002 19.822 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.239 22.839 19.259 1.00 0.00 C ATOM 0 H LEU A 43 31.077 20.046 21.647 1.00 0.00 H new ATOM 0 HA LEU A 43 30.109 22.379 23.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.243 20.838 20.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.014 21.666 21.549 1.00 0.00 H new ATOM 0 HG LEU A 43 29.085 23.831 20.999 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.756 23.897 19.208 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.380 23.037 20.636 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.841 22.119 19.210 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.336 23.713 18.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.432 21.937 18.679 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.229 22.799 19.667 1.00 0.00 H new ATOM 699 N ILE A 44 28.872 20.932 24.724 1.00 0.00 N ATOM 700 CA ILE A 44 28.037 20.183 25.642 1.00 0.00 C ATOM 701 C ILE A 44 26.817 21.052 25.957 1.00 0.00 C ATOM 702 O ILE A 44 26.878 22.256 26.175 1.00 0.00 O ATOM 703 CB ILE A 44 28.877 19.781 26.852 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.168 19.013 26.549 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.072 19.065 27.949 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.097 17.724 25.730 1.00 0.00 C ATOM 0 H ILE A 44 29.352 21.732 25.137 1.00 0.00 H new ATOM 0 HA ILE A 44 27.662 19.248 25.226 1.00 0.00 H new ATOM 0 HB ILE A 44 29.196 20.751 27.234 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.840 19.695 26.029 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.636 18.770 27.503 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.733 18.809 28.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.280 19.723 28.307 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.632 18.155 27.542 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.099 17.313 25.611 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.467 17.000 26.246 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.674 17.939 24.749 1.00 0.00 H new ATOM 718 N PHE A 45 25.699 20.341 26.063 1.00 0.00 N ATOM 719 CA PHE A 45 24.435 20.915 26.487 1.00 0.00 C ATOM 720 C PHE A 45 23.894 20.131 27.688 1.00 0.00 C ATOM 721 O PHE A 45 23.545 18.968 27.521 1.00 0.00 O ATOM 722 CB PHE A 45 23.401 20.868 25.364 1.00 0.00 C ATOM 723 CG PHE A 45 22.039 21.379 25.802 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.868 22.721 26.167 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.947 20.525 25.969 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.567 23.106 26.519 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.677 20.909 26.386 1.00 0.00 C ATOM 728 CZ PHE A 45 19.452 22.275 26.619 1.00 0.00 C ATOM 0 H PHE A 45 25.648 19.344 25.855 1.00 0.00 H new ATOM 0 HA PHE A 45 24.612 21.956 26.758 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.756 21.465 24.523 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.303 19.842 25.008 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.692 23.419 26.177 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.102 19.478 25.756 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.413 24.153 26.735 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.891 20.182 26.526 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.472 22.660 26.862 1.00 0.00 H new ATOM 738 N ALA A 46 23.998 20.724 28.870 1.00 0.00 N ATOM 739 CA ALA A 46 23.500 20.209 30.135 1.00 0.00 C ATOM 740 C ALA A 46 23.826 18.750 30.470 1.00 0.00 C ATOM 741 O ALA A 46 23.057 17.902 30.927 1.00 0.00 O ATOM 742 CB ALA A 46 21.979 20.290 30.219 1.00 0.00 C ATOM 0 H ALA A 46 24.458 21.628 28.976 1.00 0.00 H new ATOM 0 HA ALA A 46 24.023 20.854 30.841 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.646 19.896 31.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.664 21.329 30.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.538 19.703 29.413 1.00 0.00 H new ATOM 748 N GLY A 47 25.086 18.493 30.141 1.00 0.00 N ATOM 749 CA GLY A 47 25.768 17.229 30.340 1.00 0.00 C ATOM 750 C GLY A 47 25.994 16.314 29.129 1.00 0.00 C ATOM 751 O GLY A 47 26.676 15.304 29.256 1.00 0.00 O ATOM 0 H GLY A 47 25.685 19.196 29.708 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.743 17.445 30.777 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.204 16.663 31.081 1.00 0.00 H new ATOM 755 N LYS A 48 25.282 16.623 28.055 1.00 0.00 N ATOM 756 CA LYS A 48 25.134 15.727 26.919 1.00 0.00 C ATOM 757 C LYS A 48 25.817 16.442 25.762 1.00 0.00 C ATOM 758 O LYS A 48 25.618 17.654 25.649 1.00 0.00 O ATOM 759 CB LYS A 48 23.622 15.639 26.731 1.00 0.00 C ATOM 760 CG LYS A 48 22.810 14.702 27.628 1.00 0.00 C ATOM 761 CD LYS A 48 21.371 14.539 27.140 1.00 0.00 C ATOM 762 CE LYS A 48 20.420 13.719 28.015 1.00 0.00 C ATOM 763 NZ LYS A 48 19.225 13.425 27.215 1.00 0.00 N ATOM 0 H LYS A 48 24.788 17.509 27.947 1.00 0.00 H new ATOM 0 HA LYS A 48 25.561 14.729 27.018 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.217 16.643 26.855 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.437 15.346 25.698 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.293 13.725 27.662 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.805 15.091 28.646 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.942 15.534 27.017 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.400 14.080 26.152 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.899 12.796 28.341 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.152 14.274 28.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.556 12.867 27.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.774 14.316 26.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.498 12.884 26.370 1.00 0.00 H new ATOM 777 N GLN A 49 26.711 15.804 25.004 1.00 0.00 N ATOM 778 CA GLN A 49 27.173 16.200 23.690 1.00 0.00 C ATOM 779 C GLN A 49 26.189 16.594 22.585 1.00 0.00 C ATOM 780 O GLN A 49 25.171 15.948 22.392 1.00 0.00 O ATOM 781 CB GLN A 49 28.289 15.265 23.227 1.00 0.00 C ATOM 782 CG GLN A 49 29.133 15.626 21.998 1.00 0.00 C ATOM 783 CD GLN A 49 30.341 14.717 21.896 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.800 14.010 22.785 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.983 14.691 20.728 1.00 0.00 N ATOM 0 H GLN A 49 27.155 14.942 25.321 1.00 0.00 H new ATOM 0 HA GLN A 49 27.544 17.208 23.878 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.974 15.139 24.065 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.837 14.292 23.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.528 15.538 21.096 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.457 16.665 22.065 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.648 15.259 19.949 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.809 14.104 20.613 1.00 0.00 H new ATOM 794 N LEU A 50 26.492 17.588 21.748 1.00 0.00 N ATOM 795 CA LEU A 50 25.721 17.950 20.575 1.00 0.00 C ATOM 796 C LEU A 50 26.481 17.254 19.442 1.00 0.00 C ATOM 797 O LEU A 50 27.540 17.755 19.075 1.00 0.00 O ATOM 798 CB LEU A 50 25.680 19.452 20.304 1.00 0.00 C ATOM 799 CG LEU A 50 24.952 20.158 21.453 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.937 21.661 21.157 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.510 19.652 21.480 1.00 0.00 C ATOM 0 H LEU A 50 27.312 18.180 21.880 1.00 0.00 H new ATOM 0 HA LEU A 50 24.677 17.658 20.688 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.693 19.843 20.206 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.170 19.649 19.361 1.00 0.00 H new ATOM 0 HG LEU A 50 25.444 19.963 22.406 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.423 22.185 21.963 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.961 22.027 21.081 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.416 21.841 20.217 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.968 20.140 22.291 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.026 19.881 20.531 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.506 18.574 21.638 1.00 0.00 H new ATOM 813 N GLU A 51 25.955 16.163 18.903 1.00 0.00 N ATOM 814 CA GLU A 51 26.518 15.288 17.888 1.00 0.00 C ATOM 815 C GLU A 51 26.060 15.943 16.581 1.00 0.00 C ATOM 816 O GLU A 51 24.877 16.230 16.482 1.00 0.00 O ATOM 817 CB GLU A 51 25.891 13.899 17.954 1.00 0.00 C ATOM 818 CG GLU A 51 26.915 12.895 17.413 1.00 0.00 C ATOM 819 CD GLU A 51 26.703 11.424 17.750 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.082 11.054 18.888 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.940 10.808 16.985 1.00 0.00 O ATOM 0 H GLU A 51 25.033 15.838 19.195 1.00 0.00 H new ATOM 0 HA GLU A 51 27.596 15.171 17.998 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.619 13.651 18.980 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.975 13.865 17.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.940 12.991 16.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.899 13.186 17.781 1.00 0.00 H new ATOM 828 N ASP A 52 26.813 16.037 15.489 1.00 0.00 N ATOM 829 CA ASP A 52 26.382 16.522 14.191 1.00 0.00 C ATOM 830 C ASP A 52 25.685 15.310 13.585 1.00 0.00 C ATOM 831 O ASP A 52 25.994 14.136 13.812 1.00 0.00 O ATOM 832 CB ASP A 52 27.629 16.983 13.434 1.00 0.00 C ATOM 833 CG ASP A 52 28.560 15.907 12.876 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.365 15.431 13.694 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.513 15.617 11.665 1.00 0.00 O ATOM 0 H ASP A 52 27.795 15.760 15.491 1.00 0.00 H new ATOM 0 HA ASP A 52 25.706 17.377 14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.304 17.609 12.603 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.212 17.617 14.102 1.00 0.00 H new ATOM 840 N GLY A 53 24.602 15.624 12.891 1.00 0.00 N ATOM 841 CA GLY A 53 23.682 14.678 12.273 1.00 0.00 C ATOM 842 C GLY A 53 22.308 14.849 12.933 1.00 0.00 C ATOM 843 O GLY A 53 21.305 14.654 12.257 1.00 0.00 O ATOM 0 H GLY A 53 24.326 16.593 12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.614 14.859 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.042 13.657 12.402 1.00 0.00 H new ATOM 847 N ARG A 54 22.361 15.257 14.199 1.00 0.00 N ATOM 848 CA ARG A 54 21.165 15.547 14.966 1.00 0.00 C ATOM 849 C ARG A 54 20.676 16.995 14.801 1.00 0.00 C ATOM 850 O ARG A 54 21.406 17.943 14.548 1.00 0.00 O ATOM 851 CB ARG A 54 21.387 15.151 16.425 1.00 0.00 C ATOM 852 CG ARG A 54 21.498 13.643 16.623 1.00 0.00 C ATOM 853 CD ARG A 54 20.253 12.794 16.380 1.00 0.00 C ATOM 854 NE ARG A 54 20.116 12.175 15.059 1.00 0.00 N ATOM 855 CZ ARG A 54 19.111 12.487 14.230 1.00 0.00 C ATOM 856 NH1 ARG A 54 18.176 13.430 14.387 1.00 0.00 N ATOM 857 NH2 ARG A 54 18.908 11.717 13.149 1.00 0.00 N ATOM 0 H ARG A 54 23.231 15.393 14.714 1.00 0.00 H new ATOM 0 HA ARG A 54 20.350 14.943 14.568 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.296 15.628 16.791 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.563 15.531 17.028 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.285 13.277 15.964 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.830 13.464 17.646 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.232 12.002 17.129 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.377 13.420 16.553 1.00 0.00 H new ATOM 0 HE ARG A 54 20.807 11.486 14.762 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.178 14.016 15.222 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.461 13.564 13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.513 10.915 12.974 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.149 11.935 12.503 1.00 0.00 H new ATOM 871 N THR A 55 19.364 17.149 14.932 1.00 0.00 N ATOM 872 CA THR A 55 18.715 18.428 15.104 1.00 0.00 C ATOM 873 C THR A 55 18.878 18.892 16.545 1.00 0.00 C ATOM 874 O THR A 55 19.010 18.085 17.467 1.00 0.00 O ATOM 875 CB THR A 55 17.270 18.386 14.601 1.00 0.00 C ATOM 876 OG1 THR A 55 16.295 17.623 15.289 1.00 0.00 O ATOM 877 CG2 THR A 55 17.235 17.936 13.137 1.00 0.00 C ATOM 0 H THR A 55 18.712 16.364 14.920 1.00 0.00 H new ATOM 0 HA THR A 55 19.197 19.184 14.484 1.00 0.00 H new ATOM 0 HB THR A 55 16.971 19.419 14.782 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.431 17.710 14.834 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.202 17.910 12.789 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.806 18.637 12.527 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.672 16.941 13.052 1.00 0.00 H new ATOM 885 N LEU A 56 18.778 20.201 16.785 1.00 0.00 N ATOM 886 CA LEU A 56 18.939 20.861 18.072 1.00 0.00 C ATOM 887 C LEU A 56 17.704 20.606 18.937 1.00 0.00 C ATOM 888 O LEU A 56 17.836 20.319 20.122 1.00 0.00 O ATOM 889 CB LEU A 56 19.006 22.382 17.905 1.00 0.00 C ATOM 890 CG LEU A 56 20.325 22.849 17.278 1.00 0.00 C ATOM 891 CD1 LEU A 56 20.106 24.194 16.596 1.00 0.00 C ATOM 892 CD2 LEU A 56 21.499 22.885 18.265 1.00 0.00 C ATOM 0 H LEU A 56 18.570 20.864 16.038 1.00 0.00 H new ATOM 0 HA LEU A 56 19.853 20.471 18.519 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.175 22.712 17.282 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.883 22.856 18.879 1.00 0.00 H new ATOM 0 HG LEU A 56 20.619 22.109 16.534 1.00 0.00 H new ATOM 0 HD11 LEU A 56 21.041 24.531 16.148 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.349 24.089 15.819 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.772 24.925 17.332 1.00 0.00 H new ATOM 0 HD21 LEU A 56 22.397 23.225 17.750 1.00 0.00 H new ATOM 0 HD22 LEU A 56 21.268 23.570 19.081 1.00 0.00 H new ATOM 0 HD23 LEU A 56 21.667 21.886 18.667 1.00 0.00 H new ATOM 904 N SER A 57 16.530 20.474 18.343 1.00 0.00 N ATOM 905 CA SER A 57 15.287 20.146 19.023 1.00 0.00 C ATOM 906 C SER A 57 15.206 18.676 19.417 1.00 0.00 C ATOM 907 O SER A 57 14.354 18.341 20.243 1.00 0.00 O ATOM 908 CB SER A 57 14.109 20.596 18.157 1.00 0.00 C ATOM 909 OG SER A 57 12.920 20.566 18.911 1.00 0.00 O ATOM 0 H SER A 57 16.411 20.597 17.337 1.00 0.00 H new ATOM 0 HA SER A 57 15.249 20.688 19.968 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.286 21.604 17.782 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.015 19.944 17.288 1.00 0.00 H new ATOM 0 HG SER A 57 12.988 19.874 19.602 1.00 0.00 H new ATOM 915 N ASP A 58 16.040 17.743 18.963 1.00 0.00 N ATOM 916 CA ASP A 58 16.173 16.375 19.437 1.00 0.00 C ATOM 917 C ASP A 58 16.705 16.297 20.865 1.00 0.00 C ATOM 918 O ASP A 58 16.270 15.405 21.597 1.00 0.00 O ATOM 919 CB ASP A 58 17.111 15.458 18.650 1.00 0.00 C ATOM 920 CG ASP A 58 16.759 15.352 17.174 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.586 14.964 16.956 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.569 15.451 16.235 1.00 0.00 O ATOM 0 H ASP A 58 16.686 17.942 18.199 1.00 0.00 H new ATOM 0 HA ASP A 58 15.145 16.032 19.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.132 15.827 18.746 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.089 14.462 19.093 1.00 0.00 H new ATOM 927 N TYR A 59 17.584 17.245 21.185 1.00 0.00 N ATOM 928 CA TYR A 59 17.993 17.306 22.569 1.00 0.00 C ATOM 929 C TYR A 59 17.177 18.230 23.477 1.00 0.00 C ATOM 930 O TYR A 59 17.589 18.564 24.576 1.00 0.00 O ATOM 931 CB TYR A 59 19.431 17.839 22.584 1.00 0.00 C ATOM 932 CG TYR A 59 20.401 17.025 21.766 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.705 15.706 22.120 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.091 17.588 20.683 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.573 14.917 21.361 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.058 16.859 19.980 1.00 0.00 C ATOM 937 CZ TYR A 59 22.336 15.538 20.358 1.00 0.00 C ATOM 938 OH TYR A 59 23.325 14.899 19.676 1.00 0.00 O ATOM 0 H TYR A 59 17.996 17.931 20.552 1.00 0.00 H new ATOM 0 HA TYR A 59 17.858 16.299 22.963 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.430 18.864 22.212 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.783 17.874 23.615 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.255 15.285 23.007 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.873 18.603 20.385 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.655 13.855 21.541 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.586 17.311 19.153 1.00 0.00 H new ATOM 0 HH TYR A 59 23.196 15.031 18.713 1.00 0.00 H new ATOM 948 N ASN A 60 16.090 18.759 22.914 1.00 0.00 N ATOM 949 CA ASN A 60 15.057 19.517 23.599 1.00 0.00 C ATOM 950 C ASN A 60 15.476 20.955 23.926 1.00 0.00 C ATOM 951 O ASN A 60 15.048 21.482 24.955 1.00 0.00 O ATOM 952 CB ASN A 60 14.336 18.753 24.700 1.00 0.00 C ATOM 953 CG ASN A 60 13.355 17.711 24.180 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.148 17.687 22.976 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.906 16.832 25.077 1.00 0.00 N ATOM 0 H ASN A 60 15.902 18.662 21.916 1.00 0.00 H new ATOM 0 HA ASN A 60 14.258 19.651 22.870 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.075 18.260 25.332 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.799 19.462 25.331 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.330 16.046 24.776 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.139 16.946 26.063 1.00 0.00 H new ATOM 962 N ILE A 61 16.238 21.571 23.036 1.00 0.00 N ATOM 963 CA ILE A 61 16.570 22.988 23.093 1.00 0.00 C ATOM 964 C ILE A 61 15.378 23.716 22.485 1.00 0.00 C ATOM 965 O ILE A 61 15.131 23.711 21.288 1.00 0.00 O ATOM 966 CB ILE A 61 17.842 23.182 22.261 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.015 22.282 22.663 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.154 24.673 22.213 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.318 22.385 21.873 1.00 0.00 C ATOM 0 H ILE A 61 16.652 21.091 22.237 1.00 0.00 H new ATOM 0 HA ILE A 61 16.755 23.366 24.099 1.00 0.00 H new ATOM 0 HB ILE A 61 17.658 22.835 21.244 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.245 22.485 23.709 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.674 21.248 22.606 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.057 24.837 21.625 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.321 25.205 21.754 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.308 25.045 23.226 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.047 21.685 22.281 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.129 22.144 20.827 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.709 23.400 21.947 1.00 0.00 H new ATOM 981 N GLN A 62 14.559 24.209 23.417 1.00 0.00 N ATOM 982 CA GLN A 62 13.333 24.967 23.272 1.00 0.00 C ATOM 983 C GLN A 62 13.454 26.434 23.703 1.00 0.00 C ATOM 984 O GLN A 62 14.617 26.839 23.751 1.00 0.00 O ATOM 985 CB GLN A 62 12.130 24.243 23.880 1.00 0.00 C ATOM 986 CG GLN A 62 12.273 23.874 25.354 1.00 0.00 C ATOM 987 CD GLN A 62 10.967 23.861 26.138 1.00 0.00 C ATOM 988 OE1 GLN A 62 9.900 24.370 25.814 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.102 23.391 27.376 1.00 0.00 N ATOM 0 H GLN A 62 14.773 24.064 24.404 1.00 0.00 H new ATOM 0 HA GLN A 62 13.142 25.022 22.200 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.249 24.874 23.763 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.948 23.332 23.310 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.733 22.888 25.424 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.957 24.579 25.826 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.982 22.964 27.666 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.326 23.458 28.034 1.00 0.00 H new ATOM 998 N LYS A 63 12.395 27.228 23.765 1.00 0.00 N ATOM 999 CA LYS A 63 12.318 28.586 24.266 1.00 0.00 C ATOM 1000 C LYS A 63 13.079 28.900 25.558 1.00 0.00 C ATOM 1001 O LYS A 63 13.024 28.070 26.450 1.00 0.00 O ATOM 1002 CB LYS A 63 10.834 28.942 24.263 1.00 0.00 C ATOM 1003 CG LYS A 63 9.961 28.083 25.173 1.00 0.00 C ATOM 1004 CD LYS A 63 9.870 28.439 26.655 1.00 0.00 C ATOM 1005 CE LYS A 63 9.099 27.529 27.617 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.573 28.208 28.810 1.00 0.00 N ATOM 0 H LYS A 63 11.486 26.905 23.434 1.00 0.00 H new ATOM 0 HA LYS A 63 12.879 29.249 23.607 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.726 29.985 24.560 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.459 28.861 23.243 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.949 28.096 24.768 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.320 27.056 25.102 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.890 28.519 27.032 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.426 29.432 26.723 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.268 27.073 27.078 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.755 26.719 27.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.067 27.522 29.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.360 28.620 29.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.919 28.963 28.520 1.00 0.00 H new ATOM 1020 N GLU A 64 13.735 30.049 25.742 1.00 0.00 N ATOM 1021 CA GLU A 64 14.189 30.607 27.005 1.00 0.00 C ATOM 1022 C GLU A 64 15.401 29.898 27.611 1.00 0.00 C ATOM 1023 O GLU A 64 15.950 30.309 28.629 1.00 0.00 O ATOM 1024 CB GLU A 64 12.977 30.831 27.904 1.00 0.00 C ATOM 1025 CG GLU A 64 13.246 31.738 29.101 1.00 0.00 C ATOM 1026 CD GLU A 64 13.387 31.024 30.440 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.886 29.893 30.636 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.049 31.665 31.274 1.00 0.00 O ATOM 0 H GLU A 64 13.976 30.650 24.954 1.00 0.00 H new ATOM 0 HA GLU A 64 14.630 31.590 26.841 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.172 31.262 27.309 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.624 29.865 28.266 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.159 32.302 28.911 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.434 32.462 29.177 1.00 0.00 H new ATOM 1035 N SER A 65 15.896 28.941 26.839 1.00 0.00 N ATOM 1036 CA SER A 65 16.949 28.037 27.252 1.00 0.00 C ATOM 1037 C SER A 65 18.261 28.827 27.288 1.00 0.00 C ATOM 1038 O SER A 65 18.555 29.564 26.352 1.00 0.00 O ATOM 1039 CB SER A 65 17.007 26.879 26.263 1.00 0.00 C ATOM 1040 OG SER A 65 15.973 25.938 26.397 1.00 0.00 O ATOM 0 H SER A 65 15.567 28.771 25.889 1.00 0.00 H new ATOM 0 HA SER A 65 16.767 27.623 28.244 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.983 27.283 25.251 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.962 26.367 26.380 1.00 0.00 H new ATOM 0 HG SER A 65 15.350 26.027 25.646 1.00 0.00 H new ATOM 1046 N THR A 66 18.983 28.667 28.386 1.00 0.00 N ATOM 1047 CA THR A 66 20.360 29.105 28.500 1.00 0.00 C ATOM 1048 C THR A 66 21.260 27.867 28.439 1.00 0.00 C ATOM 1049 O THR A 66 20.947 26.806 28.970 1.00 0.00 O ATOM 1050 CB THR A 66 20.534 29.762 29.866 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.157 28.967 30.957 1.00 0.00 O ATOM 1052 CG2 THR A 66 19.867 31.145 29.952 1.00 0.00 C ATOM 0 H THR A 66 18.623 28.224 29.231 1.00 0.00 H new ATOM 0 HA THR A 66 20.615 29.803 27.702 1.00 0.00 H new ATOM 0 HB THR A 66 21.613 29.892 29.947 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.303 29.463 31.789 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.024 31.563 30.946 1.00 0.00 H new ATOM 0 HG22 THR A 66 20.306 31.808 29.206 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.798 31.046 29.765 1.00 0.00 H new ATOM 1060 N LEU A 67 22.401 28.021 27.780 1.00 0.00 N ATOM 1061 CA LEU A 67 23.590 27.201 27.705 1.00 0.00 C ATOM 1062 C LEU A 67 24.767 28.182 27.640 1.00 0.00 C ATOM 1063 O LEU A 67 24.648 29.389 27.453 1.00 0.00 O ATOM 1064 CB LEU A 67 23.372 26.337 26.461 1.00 0.00 C ATOM 1065 CG LEU A 67 23.112 26.792 25.030 1.00 0.00 C ATOM 1066 CD1 LEU A 67 24.404 26.756 24.216 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.976 26.013 24.365 1.00 0.00 C ATOM 0 H LEU A 67 22.523 28.852 27.201 1.00 0.00 H new ATOM 0 HA LEU A 67 23.795 26.533 28.541 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.255 25.701 26.400 1.00 0.00 H new ATOM 0 HB3 LEU A 67 22.531 25.690 26.710 1.00 0.00 H new ATOM 0 HG LEU A 67 22.771 27.827 25.066 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.201 27.084 23.196 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.139 27.420 24.671 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.795 25.739 24.199 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.832 26.377 23.348 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.228 24.953 24.339 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.057 26.154 24.934 1.00 0.00 H new ATOM 1079 N HIS A 68 25.978 27.661 27.858 1.00 0.00 N ATOM 1080 CA HIS A 68 27.225 28.343 27.556 1.00 0.00 C ATOM 1081 C HIS A 68 27.672 27.749 26.217 1.00 0.00 C ATOM 1082 O HIS A 68 27.252 26.719 25.712 1.00 0.00 O ATOM 1083 CB HIS A 68 28.279 27.963 28.598 1.00 0.00 C ATOM 1084 CG HIS A 68 28.026 28.459 29.991 1.00 0.00 C ATOM 1085 ND1 HIS A 68 28.135 29.824 30.217 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.745 27.891 31.206 1.00 0.00 C ATOM 1087 CE1 HIS A 68 27.958 30.015 31.525 1.00 0.00 C ATOM 1088 NE2 HIS A 68 27.646 28.879 32.165 1.00 0.00 N ATOM 0 H HIS A 68 26.114 26.733 28.258 1.00 0.00 H new ATOM 0 HA HIS A 68 27.105 29.426 27.542 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.358 26.876 28.628 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.245 28.344 28.266 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.620 26.833 31.386 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.055 30.974 32.012 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.391 28.769 33.146 1.00 0.00 H new ATOM 1096 N LEU A 69 28.571 28.469 25.550 1.00 0.00 N ATOM 1097 CA LEU A 69 29.142 28.126 24.260 1.00 0.00 C ATOM 1098 C LEU A 69 30.581 28.644 24.163 1.00 0.00 C ATOM 1099 O LEU A 69 30.843 29.763 24.587 1.00 0.00 O ATOM 1100 CB LEU A 69 28.160 28.569 23.178 1.00 0.00 C ATOM 1101 CG LEU A 69 28.504 28.177 21.742 1.00 0.00 C ATOM 1102 CD1 LEU A 69 28.720 26.681 21.496 1.00 0.00 C ATOM 1103 CD2 LEU A 69 27.597 28.753 20.642 1.00 0.00 C ATOM 0 H LEU A 69 28.935 29.349 25.916 1.00 0.00 H new ATOM 0 HA LEU A 69 29.263 27.052 24.115 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.180 28.158 23.418 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.070 29.654 23.223 1.00 0.00 H new ATOM 0 HG LEU A 69 29.470 28.673 21.650 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.958 26.516 20.445 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.544 26.326 22.115 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.812 26.135 21.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.940 28.405 19.668 1.00 0.00 H new ATOM 0 HD22 LEU A 69 26.572 28.421 20.805 1.00 0.00 H new ATOM 0 HD23 LEU A 69 27.635 29.842 20.672 1.00 0.00 H new ATOM 1115 N VAL A 70 31.514 27.803 23.715 1.00 0.00 N ATOM 1116 CA VAL A 70 32.843 28.125 23.233 1.00 0.00 C ATOM 1117 C VAL A 70 32.603 28.876 21.912 1.00 0.00 C ATOM 1118 O VAL A 70 32.546 28.391 20.786 1.00 0.00 O ATOM 1119 CB VAL A 70 33.574 26.795 23.117 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.966 26.167 24.457 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.867 25.744 22.245 1.00 0.00 C ATOM 0 H VAL A 70 31.338 26.799 23.680 1.00 0.00 H new ATOM 0 HA VAL A 70 33.463 28.761 23.864 1.00 0.00 H new ATOM 0 HB VAL A 70 34.489 27.089 22.603 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.482 25.223 24.280 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.626 26.845 24.997 1.00 0.00 H new ATOM 0 HG13 VAL A 70 33.069 25.985 25.050 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.462 24.831 22.222 1.00 0.00 H new ATOM 0 HG22 VAL A 70 31.884 25.526 22.663 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.753 26.129 21.232 1.00 0.00 H new ATOM 1131 N LEU A 71 32.476 30.186 22.116 1.00 0.00 N ATOM 1132 CA LEU A 71 32.331 31.263 21.167 1.00 0.00 C ATOM 1133 C LEU A 71 32.919 32.393 22.012 1.00 0.00 C ATOM 1134 O LEU A 71 32.905 32.411 23.234 1.00 0.00 O ATOM 1135 CB LEU A 71 30.838 31.443 20.843 1.00 0.00 C ATOM 1136 CG LEU A 71 30.378 32.742 20.170 1.00 0.00 C ATOM 1137 CD1 LEU A 71 30.955 32.894 18.766 1.00 0.00 C ATOM 1138 CD2 LEU A 71 28.865 32.864 20.010 1.00 0.00 C ATOM 0 H LEU A 71 32.473 30.549 23.069 1.00 0.00 H new ATOM 0 HA LEU A 71 32.805 31.156 20.191 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.538 30.615 20.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.283 31.341 21.776 1.00 0.00 H new ATOM 0 HG LEU A 71 30.740 33.514 20.848 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.603 33.828 18.327 1.00 0.00 H new ATOM 0 HD12 LEU A 71 32.044 32.906 18.819 1.00 0.00 H new ATOM 0 HD13 LEU A 71 30.631 32.057 18.147 1.00 0.00 H new ATOM 0 HD21 LEU A 71 28.625 33.811 19.526 1.00 0.00 H new ATOM 0 HD22 LEU A 71 28.496 32.040 19.399 1.00 0.00 H new ATOM 0 HD23 LEU A 71 28.391 32.828 20.991 1.00 0.00 H new