USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 25 ASN : amide:sc= 1.04 K(o=2.3,f=0.38) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0.97) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.399 (180deg=-0.921) USER MOD Single : A 1 MET N :NH3+ 174:sc= 3.45 (180deg=3.08) USER MOD Single : A 2 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.81 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 0.497 (180deg=0.262) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 35:sc= 0.654 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= 0.19 K(o=0.19,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.4!) USER MOD Single : A 55 THR OG1 : rot -82:sc= 0.292 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.505 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0185) USER MOD Single : A 65 SER OG : rot -85:sc= 1.15 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.559 31.056 15.927 1.00 0.00 N ATOM 2 CA MET A 1 14.373 31.157 17.379 1.00 0.00 C ATOM 3 C MET A 1 15.671 31.670 18.009 1.00 0.00 C ATOM 4 O MET A 1 16.750 31.177 17.689 1.00 0.00 O ATOM 5 CB MET A 1 13.990 29.804 17.972 1.00 0.00 C ATOM 6 CG MET A 1 12.632 29.216 17.552 1.00 0.00 C ATOM 7 SD MET A 1 12.429 29.003 15.766 1.00 0.00 S ATOM 8 CE MET A 1 10.740 28.348 15.780 1.00 0.00 C ATOM 0 H1 MET A 1 13.721 30.613 15.500 1.00 0.00 H new ATOM 0 H2 MET A 1 14.691 32.007 15.527 1.00 0.00 H new ATOM 0 H3 MET A 1 15.398 30.476 15.724 1.00 0.00 H new ATOM 0 HA MET A 1 13.561 31.853 17.592 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.766 29.086 17.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.998 29.896 19.058 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.503 28.249 18.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.839 29.866 17.920 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.304 28.445 14.786 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.760 27.296 16.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.139 28.908 16.496 1.00 0.00 H new ATOM 20 N GLN A 2 15.600 32.593 18.954 1.00 0.00 N ATOM 21 CA GLN A 2 16.698 33.068 19.775 1.00 0.00 C ATOM 22 C GLN A 2 17.147 32.045 20.814 1.00 0.00 C ATOM 23 O GLN A 2 16.319 31.474 21.523 1.00 0.00 O ATOM 24 CB GLN A 2 16.226 34.414 20.335 1.00 0.00 C ATOM 25 CG GLN A 2 17.389 35.145 21.006 1.00 0.00 C ATOM 26 CD GLN A 2 16.919 36.434 21.674 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.309 37.341 21.115 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.319 36.437 22.943 1.00 0.00 N ATOM 0 H GLN A 2 14.721 33.058 19.181 1.00 0.00 H new ATOM 0 HA GLN A 2 17.615 33.210 19.203 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.817 35.027 19.532 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.423 34.255 21.055 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.851 34.495 21.749 1.00 0.00 H new ATOM 0 HG3 GLN A 2 18.154 35.375 20.264 1.00 0.00 H new ATOM 0 HE21 GLN A 2 17.822 35.634 23.321 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.123 37.242 23.538 1.00 0.00 H new ATOM 37 N ILE A 3 18.455 31.865 20.936 1.00 0.00 N ATOM 38 CA ILE A 3 19.154 31.133 21.980 1.00 0.00 C ATOM 39 C ILE A 3 20.498 31.820 22.218 1.00 0.00 C ATOM 40 O ILE A 3 21.195 32.316 21.342 1.00 0.00 O ATOM 41 CB ILE A 3 19.385 29.658 21.638 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.107 29.385 20.312 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.182 28.753 21.895 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.197 27.902 19.989 1.00 0.00 C ATOM 0 H ILE A 3 19.104 32.258 20.254 1.00 0.00 H new ATOM 0 HA ILE A 3 18.529 31.144 22.873 1.00 0.00 H new ATOM 0 HB ILE A 3 20.122 29.355 22.382 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.583 29.897 19.505 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.112 29.805 20.357 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.434 27.727 21.625 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.914 28.795 22.951 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.338 29.090 21.293 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.717 27.767 19.041 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.746 27.390 20.780 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.193 27.484 19.915 1.00 0.00 H new ATOM 56 N PHE A 4 20.900 31.895 23.488 1.00 0.00 N ATOM 57 CA PHE A 4 22.142 32.528 23.897 1.00 0.00 C ATOM 58 C PHE A 4 23.265 31.491 23.737 1.00 0.00 C ATOM 59 O PHE A 4 23.016 30.297 23.920 1.00 0.00 O ATOM 60 CB PHE A 4 22.110 33.043 25.332 1.00 0.00 C ATOM 61 CG PHE A 4 20.914 33.947 25.476 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.953 35.258 24.972 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.784 33.478 26.170 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.903 36.126 25.305 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.732 34.351 26.472 1.00 0.00 C ATOM 66 CZ PHE A 4 18.816 35.690 26.060 1.00 0.00 C ATOM 0 H PHE A 4 20.362 31.512 24.265 1.00 0.00 H new ATOM 0 HA PHE A 4 22.306 33.403 23.268 1.00 0.00 H new ATOM 0 HB2 PHE A 4 22.046 32.211 26.034 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.027 33.585 25.563 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.769 35.588 24.346 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.728 32.442 26.471 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.938 37.152 24.970 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.867 33.999 27.015 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.035 36.385 26.329 1.00 0.00 H new ATOM 76 N VAL A 5 24.522 31.827 23.480 1.00 0.00 N ATOM 77 CA VAL A 5 25.722 31.041 23.676 1.00 0.00 C ATOM 78 C VAL A 5 26.453 31.745 24.821 1.00 0.00 C ATOM 79 O VAL A 5 26.408 32.973 24.885 1.00 0.00 O ATOM 80 CB VAL A 5 26.508 31.037 22.361 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.914 30.438 22.500 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.853 30.327 21.177 1.00 0.00 C ATOM 0 H VAL A 5 24.742 32.744 23.093 1.00 0.00 H new ATOM 0 HA VAL A 5 25.553 29.995 23.933 1.00 0.00 H new ATOM 0 HB VAL A 5 26.540 32.104 22.143 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.418 30.465 21.534 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.487 31.018 23.224 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.838 29.406 22.841 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.506 30.393 20.307 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.687 29.279 21.427 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.898 30.802 20.951 1.00 0.00 H new ATOM 92 N LYS A 6 26.907 31.114 25.904 1.00 0.00 N ATOM 93 CA LYS A 6 27.815 31.707 26.867 1.00 0.00 C ATOM 94 C LYS A 6 29.099 30.936 26.585 1.00 0.00 C ATOM 95 O LYS A 6 29.211 29.749 26.894 1.00 0.00 O ATOM 96 CB LYS A 6 27.228 31.377 28.248 1.00 0.00 C ATOM 97 CG LYS A 6 28.203 31.873 29.316 1.00 0.00 C ATOM 98 CD LYS A 6 27.670 31.334 30.643 1.00 0.00 C ATOM 99 CE LYS A 6 28.520 31.792 31.832 1.00 0.00 C ATOM 100 NZ LYS A 6 27.850 31.362 33.063 1.00 0.00 N ATOM 0 H LYS A 6 26.644 30.156 26.135 1.00 0.00 H new ATOM 0 HA LYS A 6 27.973 32.784 26.819 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.256 31.854 28.371 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.071 30.303 28.347 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.213 31.511 29.123 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.252 32.962 29.327 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.642 31.667 30.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.650 30.245 30.610 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.520 31.362 31.773 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.637 32.876 31.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.410 31.662 33.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.904 31.792 33.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.760 30.326 33.065 1.00 0.00 H new ATOM 114 N THR A 7 30.133 31.677 26.216 1.00 0.00 N ATOM 115 CA THR A 7 31.528 31.297 26.310 1.00 0.00 C ATOM 116 C THR A 7 31.981 31.669 27.721 1.00 0.00 C ATOM 117 O THR A 7 31.725 32.794 28.158 1.00 0.00 O ATOM 118 CB THR A 7 32.417 31.922 25.232 1.00 0.00 C ATOM 119 OG1 THR A 7 32.015 33.256 25.033 1.00 0.00 O ATOM 120 CG2 THR A 7 32.529 31.213 23.881 1.00 0.00 C ATOM 0 H THR A 7 30.011 32.610 25.822 1.00 0.00 H new ATOM 0 HA THR A 7 31.628 30.227 26.129 1.00 0.00 H new ATOM 0 HB THR A 7 33.424 31.825 25.638 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.578 33.668 24.345 1.00 0.00 H new ATOM 0 HG21 THR A 7 33.193 31.778 23.227 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.932 30.211 24.028 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.542 31.144 23.423 1.00 0.00 H new ATOM 128 N LEU A 8 32.552 30.684 28.415 1.00 0.00 N ATOM 129 CA LEU A 8 32.816 30.749 29.846 1.00 0.00 C ATOM 130 C LEU A 8 34.199 31.367 30.067 1.00 0.00 C ATOM 131 O LEU A 8 34.586 31.719 31.184 1.00 0.00 O ATOM 132 CB LEU A 8 32.859 29.275 30.218 1.00 0.00 C ATOM 133 CG LEU A 8 31.492 28.792 30.709 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.402 28.589 29.652 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.650 27.529 31.559 1.00 0.00 C ATOM 0 H LEU A 8 32.847 29.806 27.988 1.00 0.00 H new ATOM 0 HA LEU A 8 32.095 31.335 30.416 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.167 28.687 29.353 1.00 0.00 H new ATOM 0 HB3 LEU A 8 33.606 29.114 30.995 1.00 0.00 H new ATOM 0 HG LEU A 8 31.121 29.628 31.302 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.487 28.246 30.134 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.211 29.532 29.140 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.732 27.844 28.928 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.670 27.196 31.902 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.111 26.743 30.961 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.281 27.747 32.421 1.00 0.00 H new ATOM 147 N THR A 9 35.065 31.527 29.077 1.00 0.00 N ATOM 148 CA THR A 9 36.243 32.358 29.076 1.00 0.00 C ATOM 149 C THR A 9 35.976 33.786 28.575 1.00 0.00 C ATOM 150 O THR A 9 36.776 34.701 28.722 1.00 0.00 O ATOM 151 CB THR A 9 37.214 31.672 28.112 1.00 0.00 C ATOM 152 OG1 THR A 9 36.588 31.283 26.917 1.00 0.00 O ATOM 153 CG2 THR A 9 37.784 30.374 28.681 1.00 0.00 C ATOM 0 H THR A 9 34.946 31.039 28.189 1.00 0.00 H new ATOM 0 HA THR A 9 36.622 32.460 30.093 1.00 0.00 H new ATOM 0 HB THR A 9 37.991 32.418 27.946 1.00 0.00 H new ATOM 0 HG1 THR A 9 37.243 30.851 26.330 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.466 29.928 27.957 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.323 30.587 29.604 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.970 29.679 28.888 1.00 0.00 H new ATOM 161 N GLY A 10 34.819 33.968 27.957 1.00 0.00 N ATOM 162 CA GLY A 10 34.513 35.012 26.990 1.00 0.00 C ATOM 163 C GLY A 10 33.239 35.733 27.439 1.00 0.00 C ATOM 164 O GLY A 10 33.264 36.610 28.296 1.00 0.00 O ATOM 0 H GLY A 10 34.022 33.355 28.127 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.342 35.717 26.919 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.375 34.581 25.998 1.00 0.00 H new ATOM 168 N LYS A 11 32.089 35.506 26.818 1.00 0.00 N ATOM 169 CA LYS A 11 30.935 36.385 26.828 1.00 0.00 C ATOM 170 C LYS A 11 29.689 35.573 26.451 1.00 0.00 C ATOM 171 O LYS A 11 29.702 34.621 25.679 1.00 0.00 O ATOM 172 CB LYS A 11 31.252 37.648 26.031 1.00 0.00 C ATOM 173 CG LYS A 11 30.886 37.489 24.553 1.00 0.00 C ATOM 174 CD LYS A 11 31.492 38.577 23.669 1.00 0.00 C ATOM 175 CE LYS A 11 30.852 38.799 22.302 1.00 0.00 C ATOM 176 NZ LYS A 11 31.553 39.729 21.404 1.00 0.00 N ATOM 0 H LYS A 11 31.932 34.662 26.268 1.00 0.00 H new ATOM 0 HA LYS A 11 30.692 36.777 27.815 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.706 38.492 26.453 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.314 37.879 26.121 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.224 36.514 24.203 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.801 37.506 24.449 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.454 39.518 24.217 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.545 38.340 23.515 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.769 37.835 21.801 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.837 39.167 22.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.252 39.558 20.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.324 40.708 21.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.579 39.580 21.482 1.00 0.00 H new ATOM 190 N THR A 12 28.572 36.070 26.988 1.00 0.00 N ATOM 191 CA THR A 12 27.255 35.740 26.481 1.00 0.00 C ATOM 192 C THR A 12 27.031 36.402 25.122 1.00 0.00 C ATOM 193 O THR A 12 27.224 37.607 24.966 1.00 0.00 O ATOM 194 CB THR A 12 26.189 36.172 27.497 1.00 0.00 C ATOM 195 OG1 THR A 12 26.315 37.493 27.975 1.00 0.00 O ATOM 196 CG2 THR A 12 26.223 35.241 28.709 1.00 0.00 C ATOM 0 H THR A 12 28.564 36.709 27.783 1.00 0.00 H new ATOM 0 HA THR A 12 27.178 34.662 26.341 1.00 0.00 H new ATOM 0 HB THR A 12 25.248 36.118 26.949 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.595 37.680 28.613 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.465 35.551 29.428 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.022 34.219 28.388 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.207 35.288 29.176 1.00 0.00 H new ATOM 204 N ILE A 13 26.642 35.664 24.081 1.00 0.00 N ATOM 205 CA ILE A 13 26.446 36.003 22.696 1.00 0.00 C ATOM 206 C ILE A 13 24.956 35.728 22.488 1.00 0.00 C ATOM 207 O ILE A 13 24.455 34.679 22.867 1.00 0.00 O ATOM 208 CB ILE A 13 27.344 35.141 21.792 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.807 35.225 22.218 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.348 35.627 20.344 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.553 33.891 22.100 1.00 0.00 C ATOM 0 H ILE A 13 26.431 34.677 24.228 1.00 0.00 H new ATOM 0 HA ILE A 13 26.714 37.029 22.445 1.00 0.00 H new ATOM 0 HB ILE A 13 26.937 34.134 21.880 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.314 35.971 21.606 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.858 35.571 23.250 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.996 34.986 19.747 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.334 35.590 19.945 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.716 36.652 20.305 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.587 34.023 22.419 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.070 33.147 22.733 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.533 33.553 21.064 1.00 0.00 H new ATOM 223 N THR A 14 24.322 36.658 21.767 1.00 0.00 N ATOM 224 CA THR A 14 22.939 36.475 21.373 1.00 0.00 C ATOM 225 C THR A 14 22.933 35.819 19.990 1.00 0.00 C ATOM 226 O THR A 14 23.240 36.498 19.009 1.00 0.00 O ATOM 227 CB THR A 14 22.143 37.779 21.441 1.00 0.00 C ATOM 228 OG1 THR A 14 22.749 38.728 20.583 1.00 0.00 O ATOM 229 CG2 THR A 14 22.082 38.404 22.825 1.00 0.00 C ATOM 0 H THR A 14 24.745 37.531 21.452 1.00 0.00 H new ATOM 0 HA THR A 14 22.426 35.817 22.075 1.00 0.00 H new ATOM 0 HB THR A 14 21.125 37.522 21.149 1.00 0.00 H new ATOM 0 HG1 THR A 14 23.117 38.271 19.798 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.499 39.324 22.783 1.00 0.00 H new ATOM 0 HG22 THR A 14 21.611 37.707 23.518 1.00 0.00 H new ATOM 0 HG23 THR A 14 23.092 38.630 23.167 1.00 0.00 H new ATOM 237 N LEU A 15 22.481 34.572 19.869 1.00 0.00 N ATOM 238 CA LEU A 15 22.333 33.920 18.585 1.00 0.00 C ATOM 239 C LEU A 15 20.869 33.676 18.188 1.00 0.00 C ATOM 240 O LEU A 15 19.955 33.942 18.961 1.00 0.00 O ATOM 241 CB LEU A 15 23.035 32.566 18.657 1.00 0.00 C ATOM 242 CG LEU A 15 24.424 32.358 18.052 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.320 32.533 16.532 1.00 0.00 C ATOM 244 CD2 LEU A 15 25.589 33.124 18.688 1.00 0.00 C ATOM 0 H LEU A 15 22.209 33.992 20.663 1.00 0.00 H new ATOM 0 HA LEU A 15 22.767 34.581 17.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.105 32.300 19.712 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.372 31.839 18.188 1.00 0.00 H new ATOM 0 HG LEU A 15 24.718 31.337 18.298 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.302 32.388 16.081 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.623 31.798 16.128 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.961 33.537 16.305 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.513 32.884 18.162 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.400 34.195 18.620 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.683 32.838 19.736 1.00 0.00 H new ATOM 256 N GLU A 16 20.679 33.240 16.954 1.00 0.00 N ATOM 257 CA GLU A 16 19.379 33.026 16.340 1.00 0.00 C ATOM 258 C GLU A 16 19.590 31.752 15.511 1.00 0.00 C ATOM 259 O GLU A 16 20.534 31.675 14.732 1.00 0.00 O ATOM 260 CB GLU A 16 18.929 34.285 15.609 1.00 0.00 C ATOM 261 CG GLU A 16 17.459 34.600 15.867 1.00 0.00 C ATOM 262 CD GLU A 16 16.444 33.972 14.911 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.624 33.880 13.672 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.411 33.473 15.403 1.00 0.00 O ATOM 0 H GLU A 16 21.454 33.017 16.329 1.00 0.00 H new ATOM 0 HA GLU A 16 18.542 32.863 17.019 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.542 35.128 15.928 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.091 34.160 14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.215 34.280 16.880 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.332 35.682 15.835 1.00 0.00 H new ATOM 271 N VAL A 17 18.770 30.714 15.644 1.00 0.00 N ATOM 272 CA VAL A 17 18.872 29.493 14.863 1.00 0.00 C ATOM 273 C VAL A 17 17.513 29.060 14.302 1.00 0.00 C ATOM 274 O VAL A 17 16.475 29.643 14.586 1.00 0.00 O ATOM 275 CB VAL A 17 19.653 28.400 15.584 1.00 0.00 C ATOM 276 CG1 VAL A 17 21.069 28.758 16.024 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.873 27.717 16.716 1.00 0.00 C ATOM 0 H VAL A 17 18.000 30.701 16.313 1.00 0.00 H new ATOM 0 HA VAL A 17 19.479 29.710 13.984 1.00 0.00 H new ATOM 0 HB VAL A 17 19.786 27.669 14.786 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.522 27.902 16.524 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.665 29.025 15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.034 29.603 16.711 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.497 26.952 17.178 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.594 28.459 17.464 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.973 27.254 16.310 1.00 0.00 H new ATOM 287 N GLU A 18 17.527 27.975 13.536 1.00 0.00 N ATOM 288 CA GLU A 18 16.368 27.363 12.921 1.00 0.00 C ATOM 289 C GLU A 18 15.881 26.195 13.789 1.00 0.00 C ATOM 290 O GLU A 18 16.727 25.535 14.391 1.00 0.00 O ATOM 291 CB GLU A 18 16.754 26.787 11.561 1.00 0.00 C ATOM 292 CG GLU A 18 17.097 27.781 10.457 1.00 0.00 C ATOM 293 CD GLU A 18 15.918 28.703 10.160 1.00 0.00 C ATOM 294 OE1 GLU A 18 15.796 29.715 10.878 1.00 0.00 O ATOM 295 OE2 GLU A 18 15.075 28.399 9.287 1.00 0.00 O ATOM 0 H GLU A 18 18.392 27.479 13.320 1.00 0.00 H new ATOM 0 HA GLU A 18 15.590 28.119 12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.612 26.130 11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.930 26.164 11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.961 28.375 10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.377 27.242 9.552 1.00 0.00 H new ATOM 302 N PRO A 19 14.574 25.959 13.909 1.00 0.00 N ATOM 303 CA PRO A 19 14.125 24.762 14.604 1.00 0.00 C ATOM 304 C PRO A 19 14.519 23.435 13.950 1.00 0.00 C ATOM 305 O PRO A 19 14.558 22.461 14.700 1.00 0.00 O ATOM 306 CB PRO A 19 12.632 25.030 14.718 1.00 0.00 C ATOM 307 CG PRO A 19 12.231 25.928 13.556 1.00 0.00 C ATOM 308 CD PRO A 19 13.537 26.615 13.150 1.00 0.00 C ATOM 0 HA PRO A 19 14.608 24.608 15.569 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.073 24.095 14.689 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.401 25.510 15.669 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.811 25.351 12.732 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.475 26.654 13.855 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.714 26.518 12.079 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.504 27.682 13.372 1.00 0.00 H new ATOM 316 N SER A 20 14.783 23.343 12.650 1.00 0.00 N ATOM 317 CA SER A 20 15.138 22.185 11.849 1.00 0.00 C ATOM 318 C SER A 20 16.634 22.056 11.566 1.00 0.00 C ATOM 319 O SER A 20 16.998 21.256 10.712 1.00 0.00 O ATOM 320 CB SER A 20 14.232 22.239 10.627 1.00 0.00 C ATOM 321 OG SER A 20 14.280 23.501 9.985 1.00 0.00 O ATOM 0 H SER A 20 14.748 24.180 12.068 1.00 0.00 H new ATOM 0 HA SER A 20 14.965 21.255 12.391 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.528 21.462 9.922 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.206 22.024 10.927 1.00 0.00 H new ATOM 0 HG SER A 20 13.687 23.494 9.205 1.00 0.00 H new ATOM 327 N ASP A 21 17.426 22.873 12.253 1.00 0.00 N ATOM 328 CA ASP A 21 18.863 22.915 12.119 1.00 0.00 C ATOM 329 C ASP A 21 19.414 21.640 12.759 1.00 0.00 C ATOM 330 O ASP A 21 18.929 21.218 13.803 1.00 0.00 O ATOM 331 CB ASP A 21 19.456 24.148 12.813 1.00 0.00 C ATOM 332 CG ASP A 21 20.375 24.966 11.922 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.622 24.697 10.725 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.907 26.032 12.298 1.00 0.00 O ATOM 0 H ASP A 21 17.067 23.540 12.936 1.00 0.00 H new ATOM 0 HA ASP A 21 19.135 22.980 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.643 24.784 13.162 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.011 23.826 13.695 1.00 0.00 H new ATOM 339 N THR A 22 20.503 21.113 12.198 1.00 0.00 N ATOM 340 CA THR A 22 21.367 20.114 12.797 1.00 0.00 C ATOM 341 C THR A 22 22.540 20.705 13.575 1.00 0.00 C ATOM 342 O THR A 22 22.919 21.823 13.203 1.00 0.00 O ATOM 343 CB THR A 22 22.006 19.309 11.666 1.00 0.00 C ATOM 344 OG1 THR A 22 22.685 20.160 10.770 1.00 0.00 O ATOM 345 CG2 THR A 22 21.068 18.424 10.852 1.00 0.00 C ATOM 0 H THR A 22 20.816 21.390 11.267 1.00 0.00 H new ATOM 0 HA THR A 22 20.743 19.534 13.477 1.00 0.00 H new ATOM 0 HB THR A 22 22.682 18.635 12.192 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.089 19.626 10.054 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.636 17.904 10.081 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.595 17.694 11.509 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.301 19.041 10.384 1.00 0.00 H new ATOM 353 N ILE A 23 23.108 20.114 14.619 1.00 0.00 N ATOM 354 CA ILE A 23 24.168 20.684 15.424 1.00 0.00 C ATOM 355 C ILE A 23 25.423 21.147 14.674 1.00 0.00 C ATOM 356 O ILE A 23 25.893 22.228 15.016 1.00 0.00 O ATOM 357 CB ILE A 23 24.433 19.711 16.571 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.244 19.583 17.536 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.707 20.035 17.358 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.828 20.844 18.281 1.00 0.00 C ATOM 0 H ILE A 23 22.827 19.186 14.937 1.00 0.00 H new ATOM 0 HA ILE A 23 23.826 21.644 15.811 1.00 0.00 H new ATOM 0 HB ILE A 23 24.579 18.749 16.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.384 19.223 16.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.485 18.817 18.273 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.836 19.306 18.158 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.567 19.996 16.690 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.625 21.034 17.787 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.980 20.621 18.928 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.662 21.201 18.885 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.544 21.614 17.563 1.00 0.00 H new ATOM 372 N GLU A 24 25.916 20.553 13.587 1.00 0.00 N ATOM 373 CA GLU A 24 27.002 20.985 12.731 1.00 0.00 C ATOM 374 C GLU A 24 26.847 22.369 12.100 1.00 0.00 C ATOM 375 O GLU A 24 27.837 23.085 12.033 1.00 0.00 O ATOM 376 CB GLU A 24 27.326 19.956 11.645 1.00 0.00 C ATOM 377 CG GLU A 24 28.741 20.191 11.106 1.00 0.00 C ATOM 378 CD GLU A 24 29.041 19.094 10.092 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.060 18.468 9.639 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.238 18.824 9.883 1.00 0.00 O ATOM 0 H GLU A 24 25.520 19.672 13.259 1.00 0.00 H new ATOM 0 HA GLU A 24 27.838 21.070 13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.246 18.948 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.602 20.031 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.814 21.173 10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.468 20.170 11.918 1.00 0.00 H new ATOM 387 N ASN A 25 25.620 22.689 11.677 1.00 0.00 N ATOM 388 CA ASN A 25 25.192 23.961 11.134 1.00 0.00 C ATOM 389 C ASN A 25 24.827 25.028 12.160 1.00 0.00 C ATOM 390 O ASN A 25 25.117 26.209 12.004 1.00 0.00 O ATOM 391 CB ASN A 25 24.013 23.618 10.226 1.00 0.00 C ATOM 392 CG ASN A 25 23.800 24.792 9.272 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.600 25.047 8.381 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.674 25.492 9.421 1.00 0.00 N ATOM 0 H ASN A 25 24.856 22.014 11.712 1.00 0.00 H new ATOM 0 HA ASN A 25 26.023 24.429 10.607 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.215 22.704 9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.115 23.439 10.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.463 26.260 8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.024 25.259 10.172 1.00 0.00 H new ATOM 401 N VAL A 26 24.412 24.618 13.356 1.00 0.00 N ATOM 402 CA VAL A 26 24.460 25.407 14.566 1.00 0.00 C ATOM 403 C VAL A 26 25.815 26.051 14.868 1.00 0.00 C ATOM 404 O VAL A 26 25.855 27.267 15.085 1.00 0.00 O ATOM 405 CB VAL A 26 23.794 24.615 15.686 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.867 25.329 17.044 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.316 24.400 15.409 1.00 0.00 C ATOM 0 H VAL A 26 24.019 23.689 13.506 1.00 0.00 H new ATOM 0 HA VAL A 26 23.874 26.316 14.432 1.00 0.00 H new ATOM 0 HB VAL A 26 24.341 23.673 15.723 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.377 24.719 17.803 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.911 25.482 17.319 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.365 26.294 16.975 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.871 23.832 16.226 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.817 25.366 15.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.197 23.848 14.477 1.00 0.00 H new ATOM 417 N LYS A 27 26.853 25.210 14.868 1.00 0.00 N ATOM 418 CA LYS A 27 28.249 25.572 15.016 1.00 0.00 C ATOM 419 C LYS A 27 28.801 26.510 13.944 1.00 0.00 C ATOM 420 O LYS A 27 29.516 27.429 14.334 1.00 0.00 O ATOM 421 CB LYS A 27 28.999 24.242 14.938 1.00 0.00 C ATOM 422 CG LYS A 27 28.982 23.308 16.146 1.00 0.00 C ATOM 423 CD LYS A 27 29.644 21.960 15.847 1.00 0.00 C ATOM 424 CE LYS A 27 29.643 20.967 17.009 1.00 0.00 C ATOM 425 NZ LYS A 27 30.542 19.863 16.652 1.00 0.00 N ATOM 0 H LYS A 27 26.725 24.204 14.758 1.00 0.00 H new ATOM 0 HA LYS A 27 28.370 26.123 15.948 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.599 23.688 14.089 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.041 24.465 14.710 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.497 23.786 16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.951 23.143 16.460 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.135 21.503 14.998 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.675 22.138 15.542 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.977 21.451 17.926 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.635 20.595 17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.563 19.168 17.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.200 19.404 15.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.501 20.233 16.494 1.00 0.00 H new ATOM 439 N ALA A 28 28.381 26.439 12.686 1.00 0.00 N ATOM 440 CA ALA A 28 28.529 27.358 11.574 1.00 0.00 C ATOM 441 C ALA A 28 28.075 28.783 11.909 1.00 0.00 C ATOM 442 O ALA A 28 28.788 29.746 11.646 1.00 0.00 O ATOM 443 CB ALA A 28 27.936 26.875 10.254 1.00 0.00 C ATOM 0 H ALA A 28 27.856 25.617 12.387 1.00 0.00 H new ATOM 0 HA ALA A 28 29.606 27.386 11.410 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.097 27.630 9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.420 25.945 9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.866 26.704 10.377 1.00 0.00 H new ATOM 449 N LYS A 29 26.876 28.937 12.467 1.00 0.00 N ATOM 450 CA LYS A 29 26.268 30.204 12.830 1.00 0.00 C ATOM 451 C LYS A 29 27.127 30.973 13.839 1.00 0.00 C ATOM 452 O LYS A 29 27.404 32.152 13.655 1.00 0.00 O ATOM 453 CB LYS A 29 24.778 30.137 13.176 1.00 0.00 C ATOM 454 CG LYS A 29 23.911 29.596 12.039 1.00 0.00 C ATOM 455 CD LYS A 29 22.480 29.401 12.556 1.00 0.00 C ATOM 456 CE LYS A 29 21.362 29.275 11.513 1.00 0.00 C ATOM 457 NZ LYS A 29 21.400 28.041 10.720 1.00 0.00 N ATOM 0 H LYS A 29 26.278 28.140 12.686 1.00 0.00 H new ATOM 0 HA LYS A 29 26.259 30.800 11.918 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.645 29.506 14.055 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.430 31.135 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.917 30.289 11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.313 28.650 11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.465 28.504 13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.240 30.242 13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.400 29.334 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.417 30.128 10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.517 27.949 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.207 28.074 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.503 27.224 11.355 1.00 0.00 H new ATOM 471 N ILE A 30 27.694 30.282 14.824 1.00 0.00 N ATOM 472 CA ILE A 30 28.492 30.797 15.922 1.00 0.00 C ATOM 473 C ILE A 30 29.917 31.113 15.463 1.00 0.00 C ATOM 474 O ILE A 30 30.592 31.998 16.004 1.00 0.00 O ATOM 475 CB ILE A 30 28.479 29.605 16.886 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.094 29.437 17.505 1.00 0.00 C ATOM 477 CG2 ILE A 30 29.496 29.605 18.027 1.00 0.00 C ATOM 478 CD1 ILE A 30 26.919 28.410 18.612 1.00 0.00 C ATOM 0 H ILE A 30 27.597 29.268 14.875 1.00 0.00 H new ATOM 0 HA ILE A 30 28.117 31.726 16.351 1.00 0.00 H new ATOM 0 HB ILE A 30 28.768 28.778 16.238 1.00 0.00 H new ATOM 0 HG12 ILE A 30 26.786 30.406 17.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.400 29.183 16.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 29.370 28.703 18.626 1.00 0.00 H new ATOM 0 HG22 ILE A 30 30.505 29.629 17.615 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.339 30.482 18.654 1.00 0.00 H new ATOM 0 HD11 ILE A 30 25.882 28.410 18.947 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.179 27.421 18.235 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.571 28.662 19.449 1.00 0.00 H new ATOM 490 N GLN A 31 30.342 30.467 14.380 1.00 0.00 N ATOM 491 CA GLN A 31 31.528 30.872 13.646 1.00 0.00 C ATOM 492 C GLN A 31 31.176 32.141 12.870 1.00 0.00 C ATOM 493 O GLN A 31 31.954 33.088 12.854 1.00 0.00 O ATOM 494 CB GLN A 31 32.008 29.759 12.713 1.00 0.00 C ATOM 495 CG GLN A 31 33.408 30.090 12.184 1.00 0.00 C ATOM 496 CD GLN A 31 33.452 31.008 10.964 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.408 31.758 10.807 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.390 31.071 10.166 1.00 0.00 N ATOM 0 H GLN A 31 29.872 29.650 13.991 1.00 0.00 H new ATOM 0 HA GLN A 31 32.351 31.070 14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.026 28.808 13.246 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.313 29.645 11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.980 30.555 12.987 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.912 29.157 11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.604 30.438 10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.362 31.752 9.407 1.00 0.00 H new ATOM 507 N ASP A 32 30.010 32.211 12.237 1.00 0.00 N ATOM 508 CA ASP A 32 29.653 33.379 11.464 1.00 0.00 C ATOM 509 C ASP A 32 29.379 34.666 12.249 1.00 0.00 C ATOM 510 O ASP A 32 29.649 35.801 11.878 1.00 0.00 O ATOM 511 CB ASP A 32 28.612 33.055 10.384 1.00 0.00 C ATOM 512 CG ASP A 32 28.045 34.208 9.578 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.797 34.763 8.749 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.864 34.552 9.827 1.00 0.00 O ATOM 0 H ASP A 32 29.305 31.474 12.248 1.00 0.00 H new ATOM 0 HA ASP A 32 30.573 33.649 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.062 32.349 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.779 32.542 10.865 1.00 0.00 H new ATOM 519 N LYS A 33 28.765 34.628 13.426 1.00 0.00 N ATOM 520 CA LYS A 33 28.475 35.739 14.325 1.00 0.00 C ATOM 521 C LYS A 33 29.675 36.315 15.092 1.00 0.00 C ATOM 522 O LYS A 33 29.761 37.497 15.408 1.00 0.00 O ATOM 523 CB LYS A 33 27.482 35.195 15.356 1.00 0.00 C ATOM 524 CG LYS A 33 26.944 36.230 16.336 1.00 0.00 C ATOM 525 CD LYS A 33 25.504 36.734 16.213 1.00 0.00 C ATOM 526 CE LYS A 33 25.378 37.830 15.145 1.00 0.00 C ATOM 527 NZ LYS A 33 23.995 38.308 15.120 1.00 0.00 N ATOM 0 H LYS A 33 28.429 33.744 13.808 1.00 0.00 H new ATOM 0 HA LYS A 33 28.108 36.560 13.710 1.00 0.00 H new ATOM 0 HB2 LYS A 33 26.642 34.745 14.827 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.967 34.399 15.921 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.056 35.815 17.338 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.597 37.101 16.277 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.847 35.902 15.960 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.171 37.123 17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.058 38.653 15.367 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.660 37.439 14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.898 39.052 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.359 37.518 14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.744 38.695 16.052 1.00 0.00 H new ATOM 541 N GLU A 34 30.573 35.415 15.482 1.00 0.00 N ATOM 542 CA GLU A 34 31.627 35.729 16.419 1.00 0.00 C ATOM 543 C GLU A 34 33.054 35.360 16.020 1.00 0.00 C ATOM 544 O GLU A 34 34.012 35.771 16.674 1.00 0.00 O ATOM 545 CB GLU A 34 31.238 35.121 17.767 1.00 0.00 C ATOM 546 CG GLU A 34 30.301 35.936 18.660 1.00 0.00 C ATOM 547 CD GLU A 34 30.827 37.265 19.168 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.000 37.178 19.600 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.140 38.300 19.314 1.00 0.00 O ATOM 0 H GLU A 34 30.584 34.450 15.153 1.00 0.00 H new ATOM 0 HA GLU A 34 31.690 36.817 16.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.769 34.155 17.579 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.153 34.927 18.326 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.381 36.124 18.106 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.035 35.324 19.522 1.00 0.00 H new ATOM 556 N GLY A 35 33.216 34.589 14.944 1.00 0.00 N ATOM 557 CA GLY A 35 34.436 34.088 14.334 1.00 0.00 C ATOM 558 C GLY A 35 34.933 32.800 14.972 1.00 0.00 C ATOM 559 O GLY A 35 36.045 32.401 14.626 1.00 0.00 O ATOM 0 H GLY A 35 32.399 34.268 14.425 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.261 33.917 13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.213 34.849 14.411 1.00 0.00 H new ATOM 563 N ILE A 36 34.240 32.069 15.845 1.00 0.00 N ATOM 564 CA ILE A 36 34.882 31.033 16.617 1.00 0.00 C ATOM 565 C ILE A 36 35.001 29.752 15.790 1.00 0.00 C ATOM 566 O ILE A 36 34.003 29.400 15.154 1.00 0.00 O ATOM 567 CB ILE A 36 34.085 30.844 17.916 1.00 0.00 C ATOM 568 CG1 ILE A 36 33.777 32.183 18.598 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.617 29.765 18.860 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.114 32.086 19.971 1.00 0.00 C ATOM 0 H ILE A 36 33.243 32.182 16.027 1.00 0.00 H new ATOM 0 HA ILE A 36 35.902 31.312 16.882 1.00 0.00 H new ATOM 0 HB ILE A 36 33.127 30.426 17.605 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.708 32.740 18.702 1.00 0.00 H new ATOM 0 HG13 ILE A 36 33.129 32.764 17.942 1.00 0.00 H new ATOM 0 HG21 ILE A 36 33.984 29.712 19.746 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.610 28.801 18.351 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.636 30.012 19.157 1.00 0.00 H new ATOM 0 HD11 ILE A 36 32.941 33.088 20.363 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.162 31.563 19.879 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.765 31.538 20.652 1.00 0.00 H new ATOM 582 N PRO A 37 36.142 29.081 15.645 1.00 0.00 N ATOM 583 CA PRO A 37 36.310 27.984 14.719 1.00 0.00 C ATOM 584 C PRO A 37 35.557 26.691 14.996 1.00 0.00 C ATOM 585 O PRO A 37 35.395 26.354 16.172 1.00 0.00 O ATOM 586 CB PRO A 37 37.789 27.577 14.775 1.00 0.00 C ATOM 587 CG PRO A 37 38.407 28.304 15.972 1.00 0.00 C ATOM 588 CD PRO A 37 37.359 29.333 16.377 1.00 0.00 C ATOM 0 HA PRO A 37 35.924 28.374 13.777 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.888 26.497 14.886 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.300 27.851 13.852 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.621 27.614 16.788 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.349 28.782 15.703 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.171 29.276 17.449 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.721 30.340 16.169 1.00 0.00 H new ATOM 596 N PRO A 38 35.093 25.986 13.970 1.00 0.00 N ATOM 597 CA PRO A 38 34.171 24.873 14.116 1.00 0.00 C ATOM 598 C PRO A 38 34.724 23.562 14.648 1.00 0.00 C ATOM 599 O PRO A 38 34.015 22.842 15.359 1.00 0.00 O ATOM 600 CB PRO A 38 33.646 24.703 12.689 1.00 0.00 C ATOM 601 CG PRO A 38 34.893 24.982 11.851 1.00 0.00 C ATOM 602 CD PRO A 38 35.505 26.169 12.599 1.00 0.00 C ATOM 0 HA PRO A 38 33.434 25.107 14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.255 23.700 12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.840 25.402 12.466 1.00 0.00 H new ATOM 0 HG2 PRO A 38 35.566 24.125 11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.646 25.231 10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.591 26.177 12.509 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.145 27.117 12.200 1.00 0.00 H new ATOM 610 N ASP A 39 35.994 23.265 14.392 1.00 0.00 N ATOM 611 CA ASP A 39 36.692 22.133 14.966 1.00 0.00 C ATOM 612 C ASP A 39 36.949 22.371 16.458 1.00 0.00 C ATOM 613 O ASP A 39 37.143 21.451 17.243 1.00 0.00 O ATOM 614 CB ASP A 39 38.039 22.050 14.260 1.00 0.00 C ATOM 615 CG ASP A 39 39.309 22.841 14.515 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.262 24.086 14.628 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.445 22.340 14.635 1.00 0.00 O ATOM 0 H ASP A 39 36.575 23.821 13.764 1.00 0.00 H new ATOM 0 HA ASP A 39 36.104 21.223 14.849 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.338 21.006 14.355 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.812 22.222 13.208 1.00 0.00 H new ATOM 622 N GLN A 40 36.859 23.602 16.953 1.00 0.00 N ATOM 623 CA GLN A 40 37.251 23.954 18.304 1.00 0.00 C ATOM 624 C GLN A 40 36.067 24.129 19.253 1.00 0.00 C ATOM 625 O GLN A 40 36.346 24.331 20.432 1.00 0.00 O ATOM 626 CB GLN A 40 37.990 25.285 18.217 1.00 0.00 C ATOM 627 CG GLN A 40 38.828 25.735 19.408 1.00 0.00 C ATOM 628 CD GLN A 40 39.678 26.987 19.235 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.134 28.091 19.295 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.997 26.840 19.230 1.00 0.00 N ATOM 0 H GLN A 40 36.505 24.392 16.414 1.00 0.00 H new ATOM 0 HA GLN A 40 37.861 23.144 18.704 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.646 25.243 17.348 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.251 26.062 18.020 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.156 25.898 20.250 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.490 24.914 19.683 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.406 25.907 19.179 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.602 27.660 19.277 1.00 0.00 H new ATOM 639 N GLN A 41 34.811 24.137 18.820 1.00 0.00 N ATOM 640 CA GLN A 41 33.660 24.326 19.683 1.00 0.00 C ATOM 641 C GLN A 41 33.310 22.972 20.302 1.00 0.00 C ATOM 642 O GLN A 41 33.131 22.001 19.567 1.00 0.00 O ATOM 643 CB GLN A 41 32.441 24.757 18.881 1.00 0.00 C ATOM 644 CG GLN A 41 32.681 26.136 18.252 1.00 0.00 C ATOM 645 CD GLN A 41 31.520 26.733 17.454 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.376 26.300 17.577 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.754 27.595 16.470 1.00 0.00 N ATOM 0 H GLN A 41 34.564 24.009 17.839 1.00 0.00 H new ATOM 0 HA GLN A 41 33.905 25.085 20.426 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.232 24.025 18.101 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.565 24.792 19.528 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.942 26.833 19.048 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.547 26.065 17.594 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.691 27.975 16.337 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.997 27.876 15.847 1.00 0.00 H new ATOM 656 N ARG A 42 33.025 22.872 21.598 1.00 0.00 N ATOM 657 CA ARG A 42 32.094 21.894 22.124 1.00 0.00 C ATOM 658 C ARG A 42 30.965 22.659 22.824 1.00 0.00 C ATOM 659 O ARG A 42 31.315 23.444 23.712 1.00 0.00 O ATOM 660 CB ARG A 42 32.811 21.070 23.187 1.00 0.00 C ATOM 661 CG ARG A 42 34.017 20.254 22.716 1.00 0.00 C ATOM 662 CD ARG A 42 34.682 19.589 23.919 1.00 0.00 C ATOM 663 NE ARG A 42 35.399 20.522 24.785 1.00 0.00 N ATOM 664 CZ ARG A 42 36.098 20.055 25.828 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.188 18.724 25.954 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.749 20.816 26.712 1.00 0.00 N ATOM 0 H ARG A 42 33.439 23.473 22.311 1.00 0.00 H new ATOM 0 HA ARG A 42 31.714 21.255 21.326 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.142 21.745 23.977 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.089 20.386 23.634 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.700 19.498 21.998 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.730 20.901 22.204 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.921 19.075 24.506 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.378 18.829 23.564 1.00 0.00 H new ATOM 0 HE ARG A 42 35.368 21.524 24.596 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.735 18.115 25.272 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.709 18.319 26.732 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.735 21.832 26.618 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.260 20.381 27.481 1.00 0.00 H new ATOM 680 N LEU A 43 29.766 22.592 22.271 1.00 0.00 N ATOM 681 CA LEU A 43 28.541 23.072 22.875 1.00 0.00 C ATOM 682 C LEU A 43 27.972 21.993 23.794 1.00 0.00 C ATOM 683 O LEU A 43 28.053 20.788 23.561 1.00 0.00 O ATOM 684 CB LEU A 43 27.503 23.464 21.822 1.00 0.00 C ATOM 685 CG LEU A 43 27.845 24.609 20.863 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.445 24.337 19.413 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.318 25.924 21.433 1.00 0.00 C ATOM 0 H LEU A 43 29.616 22.183 21.349 1.00 0.00 H new ATOM 0 HA LEU A 43 28.776 23.967 23.452 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.286 22.580 21.222 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.583 23.729 22.343 1.00 0.00 H new ATOM 0 HG LEU A 43 28.930 24.693 20.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.718 25.191 18.794 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.963 23.448 19.053 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.368 24.178 19.356 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.561 26.739 20.751 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.236 25.861 21.553 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.780 26.112 22.402 1.00 0.00 H new ATOM 699 N ILE A 44 27.329 22.424 24.868 1.00 0.00 N ATOM 700 CA ILE A 44 26.818 21.561 25.927 1.00 0.00 C ATOM 701 C ILE A 44 25.481 22.070 26.481 1.00 0.00 C ATOM 702 O ILE A 44 25.456 23.257 26.790 1.00 0.00 O ATOM 703 CB ILE A 44 27.928 21.221 26.914 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.330 20.677 28.210 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.879 22.376 27.258 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.906 21.633 29.327 1.00 0.00 C ATOM 0 H ILE A 44 27.142 23.413 25.034 1.00 0.00 H new ATOM 0 HA ILE A 44 26.529 20.586 25.533 1.00 0.00 H new ATOM 0 HB ILE A 44 28.532 20.473 26.401 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.453 20.089 27.939 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.058 19.986 28.636 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.631 22.029 27.967 1.00 0.00 H new ATOM 0 HG22 ILE A 44 29.370 22.726 26.350 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.312 23.194 27.702 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.506 21.060 30.164 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.770 22.208 29.661 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.140 22.313 28.953 1.00 0.00 H new ATOM 718 N PHE A 45 24.468 21.225 26.626 1.00 0.00 N ATOM 719 CA PHE A 45 23.211 21.619 27.234 1.00 0.00 C ATOM 720 C PHE A 45 22.887 20.432 28.135 1.00 0.00 C ATOM 721 O PHE A 45 22.870 19.331 27.587 1.00 0.00 O ATOM 722 CB PHE A 45 22.192 21.962 26.143 1.00 0.00 C ATOM 723 CG PHE A 45 20.903 22.508 26.717 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.841 23.756 27.358 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.701 21.855 26.426 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.618 24.429 27.503 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.471 22.455 26.702 1.00 0.00 C ATOM 728 CZ PHE A 45 18.426 23.739 27.256 1.00 0.00 C ATOM 0 H PHE A 45 24.498 20.251 26.325 1.00 0.00 H new ATOM 0 HA PHE A 45 23.223 22.531 27.831 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.624 22.695 25.462 1.00 0.00 H new ATOM 0 HB3 PHE A 45 21.977 21.069 25.555 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.745 24.203 27.744 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.725 20.871 25.981 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.597 25.467 27.802 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.553 21.927 26.488 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.476 24.195 27.492 1.00 0.00 H new ATOM 738 N ALA A 46 22.741 20.700 29.430 1.00 0.00 N ATOM 739 CA ALA A 46 22.157 19.815 30.409 1.00 0.00 C ATOM 740 C ALA A 46 23.107 18.727 30.896 1.00 0.00 C ATOM 741 O ALA A 46 22.635 17.739 31.457 1.00 0.00 O ATOM 742 CB ALA A 46 20.810 19.312 29.876 1.00 0.00 C ATOM 0 H ALA A 46 23.044 21.586 29.835 1.00 0.00 H new ATOM 0 HA ALA A 46 21.963 20.371 31.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.357 18.642 30.606 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.148 20.160 29.702 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.966 18.776 28.940 1.00 0.00 H new ATOM 748 N GLY A 47 24.365 18.664 30.472 1.00 0.00 N ATOM 749 CA GLY A 47 25.333 17.629 30.768 1.00 0.00 C ATOM 750 C GLY A 47 25.660 16.887 29.475 1.00 0.00 C ATOM 751 O GLY A 47 26.709 16.237 29.390 1.00 0.00 O ATOM 0 H GLY A 47 24.756 19.389 29.871 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.237 18.066 31.193 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.934 16.938 31.510 1.00 0.00 H new ATOM 755 N LYS A 48 24.834 16.996 28.439 1.00 0.00 N ATOM 756 CA LYS A 48 24.974 16.371 27.136 1.00 0.00 C ATOM 757 C LYS A 48 25.853 17.258 26.251 1.00 0.00 C ATOM 758 O LYS A 48 25.497 18.385 25.929 1.00 0.00 O ATOM 759 CB LYS A 48 23.609 16.318 26.440 1.00 0.00 C ATOM 760 CG LYS A 48 22.504 15.695 27.301 1.00 0.00 C ATOM 761 CD LYS A 48 21.130 15.689 26.641 1.00 0.00 C ATOM 762 CE LYS A 48 20.253 14.501 27.033 1.00 0.00 C ATOM 763 NZ LYS A 48 19.797 14.409 28.430 1.00 0.00 N ATOM 0 H LYS A 48 23.990 17.565 28.496 1.00 0.00 H new ATOM 0 HA LYS A 48 25.395 15.375 27.274 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.314 17.329 26.161 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.704 15.747 25.516 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.783 14.670 27.545 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.441 16.241 28.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.610 16.611 26.901 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.259 15.690 25.559 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.370 14.513 26.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.803 13.589 26.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.214 13.556 28.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.622 14.355 29.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.233 15.250 28.667 1.00 0.00 H new ATOM 777 N GLN A 49 27.057 16.728 26.011 1.00 0.00 N ATOM 778 CA GLN A 49 27.936 17.248 24.988 1.00 0.00 C ATOM 779 C GLN A 49 27.361 16.997 23.588 1.00 0.00 C ATOM 780 O GLN A 49 27.034 15.856 23.246 1.00 0.00 O ATOM 781 CB GLN A 49 29.332 16.680 25.266 1.00 0.00 C ATOM 782 CG GLN A 49 30.490 17.436 24.616 1.00 0.00 C ATOM 783 CD GLN A 49 30.981 17.017 23.245 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.540 17.900 22.604 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.832 15.751 22.844 1.00 0.00 N ATOM 0 H GLN A 49 27.437 15.932 26.523 1.00 0.00 H new ATOM 0 HA GLN A 49 28.023 18.334 25.017 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.491 16.664 26.344 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.359 15.645 24.925 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.200 18.485 24.552 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.339 17.381 25.297 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.352 15.079 23.443 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.199 15.456 21.939 1.00 0.00 H new ATOM 794 N LEU A 50 27.083 17.995 22.764 1.00 0.00 N ATOM 795 CA LEU A 50 26.051 17.943 21.752 1.00 0.00 C ATOM 796 C LEU A 50 26.721 17.431 20.481 1.00 0.00 C ATOM 797 O LEU A 50 27.706 18.028 20.054 1.00 0.00 O ATOM 798 CB LEU A 50 25.419 19.318 21.537 1.00 0.00 C ATOM 799 CG LEU A 50 24.590 19.868 22.692 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.308 21.368 22.712 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.289 19.084 22.906 1.00 0.00 C ATOM 0 H LEU A 50 27.584 18.883 22.785 1.00 0.00 H new ATOM 0 HA LEU A 50 25.238 17.283 22.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.215 20.030 21.318 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.783 19.268 20.653 1.00 0.00 H new ATOM 0 HG LEU A 50 25.268 19.714 23.531 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.709 21.614 23.589 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.250 21.915 22.751 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.763 21.648 21.811 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.736 19.517 23.740 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.681 19.134 22.003 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.524 18.043 23.128 1.00 0.00 H new ATOM 813 N GLU A 51 26.331 16.273 19.956 1.00 0.00 N ATOM 814 CA GLU A 51 27.043 15.533 18.930 1.00 0.00 C ATOM 815 C GLU A 51 26.469 15.972 17.580 1.00 0.00 C ATOM 816 O GLU A 51 25.294 16.311 17.423 1.00 0.00 O ATOM 817 CB GLU A 51 26.812 14.048 19.235 1.00 0.00 C ATOM 818 CG GLU A 51 27.721 13.109 18.451 1.00 0.00 C ATOM 819 CD GLU A 51 27.252 11.662 18.559 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.206 11.277 18.005 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.809 10.745 19.217 1.00 0.00 O ATOM 0 H GLU A 51 25.472 15.808 20.250 1.00 0.00 H new ATOM 0 HA GLU A 51 28.117 15.715 18.905 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.963 13.878 20.301 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.773 13.799 19.016 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.741 13.410 17.403 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.741 13.191 18.825 1.00 0.00 H new ATOM 828 N ASP A 52 27.387 15.986 16.621 1.00 0.00 N ATOM 829 CA ASP A 52 27.134 16.177 15.210 1.00 0.00 C ATOM 830 C ASP A 52 26.187 15.057 14.750 1.00 0.00 C ATOM 831 O ASP A 52 26.274 13.926 15.218 1.00 0.00 O ATOM 832 CB ASP A 52 28.447 16.242 14.439 1.00 0.00 C ATOM 833 CG ASP A 52 28.947 14.884 13.969 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.495 14.078 14.757 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.075 14.719 12.735 1.00 0.00 O ATOM 0 H ASP A 52 28.378 15.857 16.824 1.00 0.00 H new ATOM 0 HA ASP A 52 26.644 17.130 15.011 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.318 16.892 13.573 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.207 16.701 15.071 1.00 0.00 H new ATOM 840 N GLY A 53 25.306 15.391 13.816 1.00 0.00 N ATOM 841 CA GLY A 53 24.373 14.505 13.145 1.00 0.00 C ATOM 842 C GLY A 53 22.945 14.647 13.671 1.00 0.00 C ATOM 843 O GLY A 53 21.988 14.246 13.017 1.00 0.00 O ATOM 0 H GLY A 53 25.221 16.353 13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.385 14.714 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.702 13.474 13.272 1.00 0.00 H new ATOM 847 N ARG A 54 22.801 15.083 14.927 1.00 0.00 N ATOM 848 CA ARG A 54 21.569 15.314 15.642 1.00 0.00 C ATOM 849 C ARG A 54 21.082 16.758 15.634 1.00 0.00 C ATOM 850 O ARG A 54 21.794 17.682 15.223 1.00 0.00 O ATOM 851 CB ARG A 54 21.784 14.912 17.103 1.00 0.00 C ATOM 852 CG ARG A 54 22.763 13.789 17.438 1.00 0.00 C ATOM 853 CD ARG A 54 22.414 12.315 17.179 1.00 0.00 C ATOM 854 NE ARG A 54 23.419 11.438 17.776 1.00 0.00 N ATOM 855 CZ ARG A 54 23.287 10.218 18.332 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.111 9.591 18.340 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.369 9.589 18.809 1.00 0.00 N ATOM 0 H ARG A 54 23.615 15.296 15.504 1.00 0.00 H new ATOM 0 HA ARG A 54 20.809 14.723 15.131 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.111 15.801 17.642 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.813 14.631 17.511 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.683 13.997 16.892 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.996 13.878 18.499 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.432 12.089 17.595 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.355 12.132 16.106 1.00 0.00 H new ATOM 0 HE ARG A 54 24.370 11.808 17.771 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.294 10.035 17.921 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.028 8.668 18.765 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.285 10.034 18.750 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.277 8.665 19.231 1.00 0.00 H new ATOM 871 N THR A 55 19.838 16.885 16.089 1.00 0.00 N ATOM 872 CA THR A 55 18.990 18.059 15.965 1.00 0.00 C ATOM 873 C THR A 55 18.584 18.628 17.328 1.00 0.00 C ATOM 874 O THR A 55 18.857 18.038 18.378 1.00 0.00 O ATOM 875 CB THR A 55 17.844 17.685 15.016 1.00 0.00 C ATOM 876 OG1 THR A 55 16.761 16.937 15.503 1.00 0.00 O ATOM 877 CG2 THR A 55 18.357 17.204 13.659 1.00 0.00 C ATOM 0 H THR A 55 19.371 16.124 16.583 1.00 0.00 H new ATOM 0 HA THR A 55 19.521 18.902 15.523 1.00 0.00 H new ATOM 0 HB THR A 55 17.348 18.648 14.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.998 15.986 15.513 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.512 16.950 13.020 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.942 17.995 13.190 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.984 16.323 13.798 1.00 0.00 H new ATOM 885 N LEU A 56 17.871 19.734 17.226 1.00 0.00 N ATOM 886 CA LEU A 56 17.411 20.402 18.432 1.00 0.00 C ATOM 887 C LEU A 56 16.206 19.654 19.016 1.00 0.00 C ATOM 888 O LEU A 56 16.019 19.713 20.230 1.00 0.00 O ATOM 889 CB LEU A 56 17.012 21.822 18.040 1.00 0.00 C ATOM 890 CG LEU A 56 18.073 22.617 17.276 1.00 0.00 C ATOM 891 CD1 LEU A 56 17.519 24.035 17.157 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.511 22.746 17.781 1.00 0.00 C ATOM 0 H LEU A 56 17.603 20.180 16.349 1.00 0.00 H new ATOM 0 HA LEU A 56 18.195 20.420 19.189 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.111 21.772 17.429 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.753 22.371 18.945 1.00 0.00 H new ATOM 0 HG LEU A 56 18.213 22.024 16.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.231 24.660 16.618 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.574 24.012 16.615 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.356 24.447 18.153 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.089 23.352 17.083 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.511 23.222 18.762 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.960 21.756 17.859 1.00 0.00 H new ATOM 904 N SER A 57 15.433 18.996 18.165 1.00 0.00 N ATOM 905 CA SER A 57 14.314 18.240 18.709 1.00 0.00 C ATOM 906 C SER A 57 14.819 16.940 19.347 1.00 0.00 C ATOM 907 O SER A 57 14.261 16.622 20.398 1.00 0.00 O ATOM 908 CB SER A 57 13.463 17.859 17.490 1.00 0.00 C ATOM 909 OG SER A 57 12.236 17.293 17.893 1.00 0.00 O ATOM 0 H SER A 57 15.547 18.967 17.152 1.00 0.00 H new ATOM 0 HA SER A 57 13.772 18.815 19.459 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.278 18.743 16.880 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.009 17.150 16.867 1.00 0.00 H new ATOM 0 HG SER A 57 11.708 17.059 17.101 1.00 0.00 H new ATOM 915 N ASP A 58 15.948 16.333 18.984 1.00 0.00 N ATOM 916 CA ASP A 58 16.603 15.159 19.507 1.00 0.00 C ATOM 917 C ASP A 58 16.901 15.479 20.974 1.00 0.00 C ATOM 918 O ASP A 58 16.489 14.720 21.856 1.00 0.00 O ATOM 919 CB ASP A 58 17.809 14.704 18.690 1.00 0.00 C ATOM 920 CG ASP A 58 17.424 14.399 17.242 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.310 13.925 16.940 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.199 14.820 16.355 1.00 0.00 O ATOM 0 H ASP A 58 16.489 16.716 18.209 1.00 0.00 H new ATOM 0 HA ASP A 58 15.960 14.282 19.434 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.575 15.479 18.708 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.244 13.815 19.147 1.00 0.00 H new ATOM 927 N TYR A 59 17.704 16.497 21.282 1.00 0.00 N ATOM 928 CA TYR A 59 18.271 16.836 22.571 1.00 0.00 C ATOM 929 C TYR A 59 17.361 17.767 23.366 1.00 0.00 C ATOM 930 O TYR A 59 17.660 18.036 24.535 1.00 0.00 O ATOM 931 CB TYR A 59 19.556 17.606 22.228 1.00 0.00 C ATOM 932 CG TYR A 59 20.777 16.786 21.898 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.198 15.701 22.674 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.447 17.069 20.706 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.259 14.867 22.295 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.577 16.289 20.423 1.00 0.00 C ATOM 937 CZ TYR A 59 22.998 15.175 21.141 1.00 0.00 C ATOM 938 OH TYR A 59 24.128 14.466 20.851 1.00 0.00 O ATOM 0 H TYR A 59 17.996 17.161 20.565 1.00 0.00 H new ATOM 0 HA TYR A 59 18.426 15.942 23.174 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.345 18.256 21.379 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.799 18.252 23.072 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.685 15.498 23.602 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.112 17.848 20.037 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.506 13.996 22.884 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.174 16.579 19.571 1.00 0.00 H new ATOM 0 HH TYR A 59 23.884 13.554 20.588 1.00 0.00 H new ATOM 948 N ASN A 60 16.299 18.239 22.733 1.00 0.00 N ATOM 949 CA ASN A 60 15.139 18.899 23.297 1.00 0.00 C ATOM 950 C ASN A 60 15.363 20.408 23.466 1.00 0.00 C ATOM 951 O ASN A 60 14.912 20.927 24.486 1.00 0.00 O ATOM 952 CB ASN A 60 14.464 18.153 24.454 1.00 0.00 C ATOM 953 CG ASN A 60 12.964 18.364 24.586 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.520 19.285 25.273 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.154 17.560 23.899 1.00 0.00 N ATOM 0 H ASN A 60 16.223 18.161 21.719 1.00 0.00 H new ATOM 0 HA ASN A 60 14.346 18.835 22.552 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.654 17.086 24.335 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.939 18.459 25.386 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.144 17.701 23.935 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.543 16.803 23.336 1.00 0.00 H new ATOM 962 N ILE A 61 16.162 21.024 22.604 1.00 0.00 N ATOM 963 CA ILE A 61 16.578 22.409 22.662 1.00 0.00 C ATOM 964 C ILE A 61 15.484 23.336 22.111 1.00 0.00 C ATOM 965 O ILE A 61 15.265 23.407 20.902 1.00 0.00 O ATOM 966 CB ILE A 61 17.980 22.528 22.077 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.170 21.943 22.840 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.399 23.939 21.645 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.202 21.155 22.023 1.00 0.00 C ATOM 0 H ILE A 61 16.557 20.536 21.800 1.00 0.00 H new ATOM 0 HA ILE A 61 16.682 22.769 23.686 1.00 0.00 H new ATOM 0 HB ILE A 61 17.794 21.876 21.224 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.687 22.762 23.340 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.783 21.287 23.620 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.412 23.911 21.244 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.715 24.303 20.878 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.368 24.607 22.506 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.992 20.796 22.683 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.715 20.305 21.544 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.634 21.803 21.260 1.00 0.00 H new ATOM 981 N GLN A 62 14.892 24.030 23.077 1.00 0.00 N ATOM 982 CA GLN A 62 13.837 24.994 22.841 1.00 0.00 C ATOM 983 C GLN A 62 14.339 26.434 22.862 1.00 0.00 C ATOM 984 O GLN A 62 15.484 26.755 23.199 1.00 0.00 O ATOM 985 CB GLN A 62 12.782 24.740 23.917 1.00 0.00 C ATOM 986 CG GLN A 62 12.048 23.415 23.749 1.00 0.00 C ATOM 987 CD GLN A 62 11.032 23.416 22.617 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.862 24.427 21.931 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.507 22.243 22.284 1.00 0.00 N ATOM 0 H GLN A 62 15.140 23.933 24.062 1.00 0.00 H new ATOM 0 HA GLN A 62 13.421 24.866 21.842 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.261 24.759 24.896 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.056 25.553 23.902 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.778 22.626 23.569 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.539 23.171 24.682 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.667 21.427 22.874 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.943 22.158 21.438 1.00 0.00 H new ATOM 998 N LYS A 63 13.416 27.373 22.654 1.00 0.00 N ATOM 999 CA LYS A 63 13.566 28.803 22.537 1.00 0.00 C ATOM 1000 C LYS A 63 14.127 29.437 23.813 1.00 0.00 C ATOM 1001 O LYS A 63 13.634 29.240 24.922 1.00 0.00 O ATOM 1002 CB LYS A 63 12.214 29.329 22.066 1.00 0.00 C ATOM 1003 CG LYS A 63 12.158 30.842 21.894 1.00 0.00 C ATOM 1004 CD LYS A 63 10.784 31.261 21.367 1.00 0.00 C ATOM 1005 CE LYS A 63 10.286 32.709 21.451 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.411 32.688 22.628 1.00 0.00 N ATOM 0 H LYS A 63 12.437 27.107 22.554 1.00 0.00 H new ATOM 0 HA LYS A 63 14.322 29.084 21.804 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.964 28.857 21.116 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.450 29.027 22.782 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.355 31.332 22.848 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.936 31.166 21.202 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.752 30.979 20.315 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.048 30.646 21.885 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.109 33.413 21.573 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.746 33.003 20.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.079 33.652 22.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.594 32.072 22.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.939 32.324 23.447 1.00 0.00 H new ATOM 1020 N GLU A 64 15.165 30.257 23.657 1.00 0.00 N ATOM 1021 CA GLU A 64 15.587 31.264 24.612 1.00 0.00 C ATOM 1022 C GLU A 64 16.394 30.730 25.802 1.00 0.00 C ATOM 1023 O GLU A 64 16.811 31.528 26.640 1.00 0.00 O ATOM 1024 CB GLU A 64 14.572 32.383 24.810 1.00 0.00 C ATOM 1025 CG GLU A 64 15.004 33.846 24.705 1.00 0.00 C ATOM 1026 CD GLU A 64 13.912 34.774 25.219 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.827 34.404 25.712 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.125 35.995 25.048 1.00 0.00 O ATOM 0 H GLU A 64 15.755 30.232 22.825 1.00 0.00 H new ATOM 0 HA GLU A 64 16.390 31.838 24.151 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.776 32.229 24.081 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.131 32.247 25.797 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.918 34.001 25.278 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.233 34.088 23.667 1.00 0.00 H new ATOM 1035 N SER A 65 16.661 29.437 25.718 1.00 0.00 N ATOM 1036 CA SER A 65 17.763 28.830 26.454 1.00 0.00 C ATOM 1037 C SER A 65 19.151 29.423 26.190 1.00 0.00 C ATOM 1038 O SER A 65 19.436 29.906 25.093 1.00 0.00 O ATOM 1039 CB SER A 65 17.721 27.337 26.148 1.00 0.00 C ATOM 1040 OG SER A 65 17.653 26.979 24.789 1.00 0.00 O ATOM 0 H SER A 65 16.128 28.783 25.145 1.00 0.00 H new ATOM 0 HA SER A 65 17.616 29.042 27.513 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.609 26.875 26.579 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.859 26.908 26.658 1.00 0.00 H new ATOM 0 HG SER A 65 16.718 26.986 24.495 1.00 0.00 H new ATOM 1046 N THR A 66 20.099 29.259 27.106 1.00 0.00 N ATOM 1047 CA THR A 66 21.524 29.299 26.862 1.00 0.00 C ATOM 1048 C THR A 66 22.136 27.903 26.829 1.00 0.00 C ATOM 1049 O THR A 66 22.122 27.150 27.802 1.00 0.00 O ATOM 1050 CB THR A 66 22.207 30.116 27.969 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.575 31.354 28.237 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.698 30.383 27.812 1.00 0.00 C ATOM 0 H THR A 66 19.876 29.086 28.086 1.00 0.00 H new ATOM 0 HA THR A 66 21.680 29.761 25.887 1.00 0.00 H new ATOM 0 HB THR A 66 22.091 29.431 28.809 1.00 0.00 H new ATOM 0 HG1 THR A 66 22.059 31.820 28.950 1.00 0.00 H new ATOM 0 HG21 THR A 66 24.054 30.968 28.660 1.00 0.00 H new ATOM 0 HG22 THR A 66 24.235 29.435 27.774 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.873 30.937 26.890 1.00 0.00 H new ATOM 1060 N LEU A 67 22.850 27.604 25.750 1.00 0.00 N ATOM 1061 CA LEU A 67 23.827 26.540 25.693 1.00 0.00 C ATOM 1062 C LEU A 67 25.182 27.133 26.072 1.00 0.00 C ATOM 1063 O LEU A 67 25.494 28.244 25.648 1.00 0.00 O ATOM 1064 CB LEU A 67 23.971 26.116 24.223 1.00 0.00 C ATOM 1065 CG LEU A 67 22.867 25.255 23.631 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.442 25.625 24.039 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.079 24.882 22.157 1.00 0.00 C ATOM 0 H LEU A 67 22.758 28.113 24.871 1.00 0.00 H new ATOM 0 HA LEU A 67 23.531 25.716 26.342 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.054 27.019 23.619 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.912 25.575 24.119 1.00 0.00 H new ATOM 0 HG LEU A 67 22.982 24.300 24.144 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.738 24.946 23.558 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.341 25.546 25.121 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.229 26.648 23.729 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.247 24.268 21.814 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.132 25.790 21.556 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.009 24.323 22.053 1.00 0.00 H new ATOM 1079 N HIS A 68 26.036 26.356 26.727 1.00 0.00 N ATOM 1080 CA HIS A 68 27.380 26.739 27.123 1.00 0.00 C ATOM 1081 C HIS A 68 28.350 26.261 26.043 1.00 0.00 C ATOM 1082 O HIS A 68 28.133 25.153 25.542 1.00 0.00 O ATOM 1083 CB HIS A 68 27.724 26.032 28.432 1.00 0.00 C ATOM 1084 CG HIS A 68 26.804 26.260 29.595 1.00 0.00 C ATOM 1085 ND1 HIS A 68 26.268 25.265 30.419 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.234 27.456 29.931 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.403 25.894 31.214 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.372 27.222 30.979 1.00 0.00 N ATOM 0 H HIS A 68 25.799 25.404 27.007 1.00 0.00 H new ATOM 0 HA HIS A 68 27.448 27.819 27.250 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.764 24.960 28.237 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.727 26.339 28.729 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.425 28.409 29.461 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.798 25.399 31.959 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.818 27.917 31.480 1.00 0.00 H new ATOM 1096 N LEU A 69 29.440 26.939 25.725 1.00 0.00 N ATOM 1097 CA LEU A 69 30.521 26.679 24.789 1.00 0.00 C ATOM 1098 C LEU A 69 31.787 26.636 25.651 1.00 0.00 C ATOM 1099 O LEU A 69 32.071 27.485 26.499 1.00 0.00 O ATOM 1100 CB LEU A 69 30.509 27.779 23.727 1.00 0.00 C ATOM 1101 CG LEU A 69 31.476 27.798 22.549 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.916 26.380 22.174 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.947 28.653 21.388 1.00 0.00 C ATOM 0 H LEU A 69 29.611 27.828 26.196 1.00 0.00 H new ATOM 0 HA LEU A 69 30.441 25.742 24.238 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.504 27.792 23.304 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.645 28.723 24.256 1.00 0.00 H new ATOM 0 HG LEU A 69 32.393 28.304 22.851 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.605 26.424 21.331 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.414 25.916 23.026 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.043 25.789 21.898 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.666 28.640 20.569 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.996 28.248 21.042 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.803 29.679 21.728 1.00 0.00 H new ATOM 1115 N VAL A 70 32.380 25.460 25.492 1.00 0.00 N ATOM 1116 CA VAL A 70 33.586 25.035 26.173 1.00 0.00 C ATOM 1117 C VAL A 70 34.516 24.753 24.994 1.00 0.00 C ATOM 1118 O VAL A 70 34.318 23.828 24.205 1.00 0.00 O ATOM 1119 CB VAL A 70 33.256 24.006 27.259 1.00 0.00 C ATOM 1120 CG1 VAL A 70 32.042 24.298 28.137 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.131 22.562 26.776 1.00 0.00 C ATOM 0 H VAL A 70 32.015 24.750 24.857 1.00 0.00 H new ATOM 0 HA VAL A 70 34.123 25.724 26.825 1.00 0.00 H new ATOM 0 HB VAL A 70 34.153 24.117 27.869 1.00 0.00 H new ATOM 0 HG11 VAL A 70 31.917 23.495 28.864 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.191 25.242 28.661 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.150 24.365 27.514 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.896 21.915 27.621 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.335 22.494 26.035 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.073 22.246 26.327 1.00 0.00 H new ATOM 1131 N LEU A 71 35.624 25.464 24.792 1.00 0.00 N ATOM 1132 CA LEU A 71 36.582 25.435 23.702 1.00 0.00 C ATOM 1133 C LEU A 71 37.556 24.257 23.780 1.00 0.00 C ATOM 1134 O LEU A 71 38.271 24.117 24.773 1.00 0.00 O ATOM 1135 CB LEU A 71 37.345 26.756 23.572 1.00 0.00 C ATOM 1136 CG LEU A 71 36.462 27.979 23.325 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.278 29.267 23.457 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.857 27.935 21.914 1.00 0.00 C ATOM 0 H LEU A 71 35.900 26.162 25.482 1.00 0.00 H new ATOM 0 HA LEU A 71 35.985 25.293 22.801 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.922 26.918 24.483 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.060 26.669 22.753 1.00 0.00 H new ATOM 0 HG LEU A 71 35.666 27.965 24.070 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.632 30.127 23.278 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.697 29.331 24.461 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.087 29.262 22.726 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.232 28.814 21.759 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.658 27.924 21.175 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.251 27.035 21.806 1.00 0.00 H new ATOM 1150 N ARG A 72 37.597 23.365 22.805 1.00 0.00 N ATOM 1151 CA ARG A 72 38.539 22.258 22.767 1.00 0.00 C ATOM 1152 C ARG A 72 39.870 22.801 22.232 1.00 0.00 C ATOM 1153 O ARG A 72 40.119 22.665 21.040 1.00 0.00 O ATOM 1154 CB ARG A 72 37.976 21.156 21.872 1.00 0.00 C ATOM 1155 CG ARG A 72 38.657 19.820 22.198 1.00 0.00 C ATOM 1156 CD ARG A 72 37.934 18.751 21.380 1.00 0.00 C ATOM 1157 NE ARG A 72 38.687 17.496 21.403 1.00 0.00 N ATOM 1158 CZ ARG A 72 39.388 16.926 20.419 1.00 0.00 C ATOM 1159 NH1 ARG A 72 39.792 17.675 19.377 1.00 0.00 N ATOM 1160 NH2 ARG A 72 39.791 15.651 20.529 1.00 0.00 N ATOM 0 H ARG A 72 36.966 23.390 22.004 1.00 0.00 H new ATOM 0 HA ARG A 72 38.701 21.829 23.756 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.899 21.071 22.019 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.136 21.409 20.824 1.00 0.00 H new ATOM 0 HG2 ARG A 72 39.716 19.853 21.943 1.00 0.00 H new ATOM 0 HG3 ARG A 72 38.592 19.602 23.264 1.00 0.00 H new ATOM 0 HD2 ARG A 72 36.934 18.590 21.783 1.00 0.00 H new ATOM 0 HD3 ARG A 72 37.813 19.091 20.352 1.00 0.00 H new ATOM 0 HE ARG A 72 38.675 16.989 22.288 1.00 0.00 H new ATOM 0 HH11 ARG A 72 39.563 18.668 19.344 1.00 0.00 H new ATOM 0 HH12 ARG A 72 40.328 17.250 18.620 1.00 0.00 H new ATOM 0 HH21 ARG A 72 39.562 15.114 21.366 1.00 0.00 H new ATOM 0 HH22 ARG A 72 40.326 15.218 19.776 1.00 0.00 H new ATOM 1174 N LEU A 73 40.603 23.543 23.058 1.00 0.00 N ATOM 1175 CA LEU A 73 41.747 24.283 22.574 1.00 0.00 C ATOM 1176 C LEU A 73 43.017 23.450 22.351 1.00 0.00 C ATOM 1177 O LEU A 73 43.728 23.698 21.391 1.00 0.00 O ATOM 1178 CB LEU A 73 42.170 25.276 23.652 1.00 0.00 C ATOM 1179 CG LEU A 73 41.241 26.437 24.026 1.00 0.00 C ATOM 1180 CD1 LEU A 73 41.592 26.944 25.424 1.00 0.00 C ATOM 1181 CD2 LEU A 73 41.313 27.620 23.056 1.00 0.00 C ATOM 0 H LEU A 73 40.421 23.643 24.057 1.00 0.00 H new ATOM 0 HA LEU A 73 41.416 24.709 21.627 1.00 0.00 H new ATOM 0 HB2 LEU A 73 42.361 24.707 24.562 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.121 25.708 23.341 1.00 0.00 H new ATOM 0 HG LEU A 73 40.227 26.038 23.983 1.00 0.00 H new ATOM 0 HD11 LEU A 73 40.931 27.769 25.688 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.470 26.136 26.145 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.626 27.289 25.437 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.629 28.402 23.385 1.00 0.00 H new ATOM 0 HD22 LEU A 73 42.330 28.012 23.035 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.031 27.289 22.056 1.00 0.00 H new ATOM 1193 N ARG A 74 43.109 22.420 23.192 1.00 0.00 N ATOM 1194 CA ARG A 74 44.241 21.539 23.367 1.00 0.00 C ATOM 1195 C ARG A 74 43.882 20.207 22.717 1.00 0.00 C ATOM 1196 O ARG A 74 44.810 19.470 22.384 1.00 0.00 O ATOM 1197 CB ARG A 74 44.478 21.321 24.865 1.00 0.00 C ATOM 1198 CG ARG A 74 45.833 20.706 25.205 1.00 0.00 C ATOM 1199 CD ARG A 74 46.071 20.745 26.713 1.00 0.00 C ATOM 1200 NE ARG A 74 47.404 21.190 27.112 1.00 0.00 N ATOM 1201 CZ ARG A 74 48.626 20.646 27.156 1.00 0.00 C ATOM 1202 NH1 ARG A 74 48.828 19.425 26.636 1.00 0.00 N ATOM 1203 NH2 ARG A 74 49.599 21.227 27.879 1.00 0.00 N ATOM 0 H ARG A 74 42.335 22.170 23.807 1.00 0.00 H new ATOM 0 HA ARG A 74 45.140 21.962 22.919 1.00 0.00 H new ATOM 0 HB2 ARG A 74 44.388 22.279 25.378 1.00 0.00 H new ATOM 0 HB3 ARG A 74 43.691 20.675 25.255 1.00 0.00 H new ATOM 0 HG2 ARG A 74 45.871 19.676 24.851 1.00 0.00 H new ATOM 0 HG3 ARG A 74 46.626 21.250 24.691 1.00 0.00 H new ATOM 0 HD2 ARG A 74 45.332 21.406 27.166 1.00 0.00 H new ATOM 0 HD3 ARG A 74 45.899 19.748 27.120 1.00 0.00 H new ATOM 0 HE ARG A 74 47.403 22.156 27.438 1.00 0.00 H new ATOM 0 HH11 ARG A 74 48.052 18.917 26.210 1.00 0.00 H new ATOM 0 HH12 ARG A 74 49.757 19.005 26.666 1.00 0.00 H new ATOM 0 HH21 ARG A 74 49.407 22.085 28.396 1.00 0.00 H new ATOM 0 HH22 ARG A 74 50.529 20.810 27.910 1.00 0.00 H new ATOM 1217 N GLY A 75 42.585 19.954 22.574 1.00 0.00 N ATOM 1218 CA GLY A 75 42.206 18.630 22.108 1.00 0.00 C ATOM 1219 C GLY A 75 41.697 17.734 23.231 1.00 0.00 C ATOM 1220 O GLY A 75 41.932 16.531 23.100 1.00 0.00 O ATOM 0 H GLY A 75 41.822 20.604 22.761 1.00 0.00 H new ATOM 0 HA2 GLY A 75 41.432 18.725 21.346 1.00 0.00 H new ATOM 0 HA3 GLY A 75 43.065 18.157 21.633 1.00 0.00 H new ATOM 1224 N GLY A 76 40.878 18.259 24.134 1.00 0.00 N ATOM 1225 CA GLY A 76 40.343 17.475 25.237 1.00 0.00 C ATOM 1226 C GLY A 76 40.407 18.208 26.573 1.00 0.00 C ATOM 1227 O GLY A 76 40.869 19.372 26.622 1.00 0.00 O ATOM 1228 OXT GLY A 76 39.945 17.725 27.632 1.00 0.00 O ATOM 0 H GLY A 76 40.569 19.231 24.122 1.00 0.00 H new ATOM 0 HA2 GLY A 76 39.307 17.214 25.021 1.00 0.00 H new ATOM 0 HA3 GLY A 76 40.898 16.540 25.314 1.00 0.00 H new TER 1232 GLY A 76