USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.16) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0524 (180deg=-0.181) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 150:sc=-0.00083 (180deg=-0.762) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 74:sc= 1.22 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0041 (180deg=-0.122) USER MOD Single : A 19 SER OG : rot 180:sc= 0.115 USER MOD Single : A 24 THR OG1 : rot -139:sc= -1.49 USER MOD Single : A 25 MET CE :methyl -124:sc= -4.01 (180deg=-9.75!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 130:sc= -0.0168 USER MOD Single : A 35 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.55) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= 1.39 (180deg=-0.47) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 51 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.041) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00913 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.481 -1.373 -6.237 1.00 0.00 N ATOM 2 CA MET A 1 0.478 -0.600 -5.457 1.00 0.00 C ATOM 3 C MET A 1 1.348 -1.516 -4.602 1.00 0.00 C ATOM 4 O MET A 1 1.199 -2.737 -4.635 1.00 0.00 O ATOM 5 CB MET A 1 -0.251 0.408 -4.567 1.00 0.00 C ATOM 6 CG MET A 1 -1.419 -0.192 -3.801 1.00 0.00 C ATOM 7 SD MET A 1 -1.865 0.775 -2.346 1.00 0.00 S ATOM 8 CE MET A 1 -2.167 2.379 -3.084 1.00 0.00 C ATOM 0 H1 MET A 1 -1.364 -0.833 -6.335 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.087 -1.566 -7.180 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.677 -2.272 -5.753 1.00 0.00 H new ATOM 0 HA MET A 1 1.123 -0.061 -6.151 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.458 0.833 -3.857 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.615 1.229 -5.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.282 -0.266 -4.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.165 -1.207 -3.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.622 3.039 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.223 2.808 -3.422 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.840 2.267 -3.934 1.00 0.00 H new ATOM 18 N ASP A 2 2.256 -0.918 -3.839 1.00 0.00 N ATOM 19 CA ASP A 2 3.150 -1.680 -2.974 1.00 0.00 C ATOM 20 C ASP A 2 3.857 -2.781 -3.759 1.00 0.00 C ATOM 21 O ASP A 2 4.084 -3.875 -3.244 1.00 0.00 O ATOM 22 CB ASP A 2 2.369 -2.289 -1.808 1.00 0.00 C ATOM 23 CG ASP A 2 1.656 -1.240 -0.979 1.00 0.00 C ATOM 24 OD1 ASP A 2 2.300 -0.235 -0.612 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.453 -1.424 -0.695 1.00 0.00 O ATOM 0 H ASP A 2 2.393 0.092 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 2 3.903 -0.998 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.639 -3.000 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.052 -2.849 -1.170 1.00 0.00 H new ATOM 30 N GLU A 3 4.201 -2.483 -5.008 1.00 0.00 N ATOM 31 CA GLU A 3 4.880 -3.448 -5.864 1.00 0.00 C ATOM 32 C GLU A 3 6.392 -3.377 -5.671 1.00 0.00 C ATOM 33 O GLU A 3 7.093 -2.690 -6.415 1.00 0.00 O ATOM 34 CB GLU A 3 4.530 -3.197 -7.332 1.00 0.00 C ATOM 35 CG GLU A 3 3.124 -3.637 -7.706 1.00 0.00 C ATOM 36 CD GLU A 3 3.028 -5.128 -7.962 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.850 -5.652 -8.742 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.129 -5.772 -7.380 1.00 0.00 O ATOM 0 H GLU A 3 4.021 -1.581 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 3 4.541 -4.445 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.638 -2.134 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.246 -3.723 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.437 -3.365 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.804 -3.098 -8.597 1.00 0.00 H new ATOM 45 N THR A 4 6.889 -4.092 -4.667 1.00 0.00 N ATOM 46 CA THR A 4 8.317 -4.109 -4.374 1.00 0.00 C ATOM 47 C THR A 4 8.675 -5.270 -3.453 1.00 0.00 C ATOM 48 O THR A 4 8.448 -5.209 -2.245 1.00 0.00 O ATOM 49 CB THR A 4 8.772 -2.791 -3.721 1.00 0.00 C ATOM 50 OG1 THR A 4 7.649 -2.116 -3.144 1.00 0.00 O ATOM 51 CG2 THR A 4 9.445 -1.885 -4.741 1.00 0.00 C ATOM 0 H THR A 4 6.324 -4.667 -4.043 1.00 0.00 H new ATOM 0 HA THR A 4 8.834 -4.231 -5.326 1.00 0.00 H new ATOM 0 HB THR A 4 9.493 -3.030 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.948 -1.280 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.758 -0.960 -4.256 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.317 -2.390 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.743 -1.655 -5.542 1.00 0.00 H new ATOM 59 N GLY A 5 9.238 -6.327 -4.031 1.00 0.00 N ATOM 60 CA GLY A 5 9.619 -7.486 -3.246 1.00 0.00 C ATOM 61 C GLY A 5 9.704 -8.749 -4.081 1.00 0.00 C ATOM 62 O GLY A 5 9.312 -9.826 -3.633 1.00 0.00 O ATOM 0 H GLY A 5 9.437 -6.401 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.584 -7.300 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.895 -7.632 -2.444 1.00 0.00 H new ATOM 66 N LYS A 6 10.216 -8.617 -5.300 1.00 0.00 N ATOM 67 CA LYS A 6 10.352 -9.755 -6.201 1.00 0.00 C ATOM 68 C LYS A 6 11.742 -9.790 -6.828 1.00 0.00 C ATOM 69 O LYS A 6 12.382 -10.840 -6.880 1.00 0.00 O ATOM 70 CB LYS A 6 9.287 -9.693 -7.298 1.00 0.00 C ATOM 71 CG LYS A 6 8.073 -8.860 -6.922 1.00 0.00 C ATOM 72 CD LYS A 6 8.269 -7.396 -7.279 1.00 0.00 C ATOM 73 CE LYS A 6 7.333 -6.499 -6.485 1.00 0.00 C ATOM 74 NZ LYS A 6 5.945 -6.528 -7.025 1.00 0.00 N ATOM 0 H LYS A 6 10.544 -7.732 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 6 10.213 -10.666 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.733 -9.281 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.963 -10.706 -7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.193 -9.246 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.884 -8.953 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.302 -7.108 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.094 -7.254 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.324 -6.817 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.708 -5.476 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.268 -6.363 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.837 -5.785 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.759 -7.456 -7.456 1.00 0.00 H new ATOM 88 N GLU A 7 12.201 -8.636 -7.302 1.00 0.00 N ATOM 89 CA GLU A 7 13.516 -8.537 -7.925 1.00 0.00 C ATOM 90 C GLU A 7 13.807 -7.102 -8.355 1.00 0.00 C ATOM 91 O GLU A 7 13.377 -6.662 -9.423 1.00 0.00 O ATOM 92 CB GLU A 7 13.605 -9.471 -9.134 1.00 0.00 C ATOM 93 CG GLU A 7 14.940 -10.185 -9.255 1.00 0.00 C ATOM 94 CD GLU A 7 15.272 -11.014 -8.029 1.00 0.00 C ATOM 95 OE1 GLU A 7 14.622 -12.060 -7.825 1.00 0.00 O ATOM 96 OE2 GLU A 7 16.184 -10.615 -7.273 1.00 0.00 O ATOM 0 H GLU A 7 11.683 -7.758 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 7 14.262 -8.836 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.810 -10.214 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.428 -8.894 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.924 -10.831 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.728 -9.449 -9.416 1.00 0.00 H new ATOM 103 N LEU A 8 14.540 -6.377 -7.518 1.00 0.00 N ATOM 104 CA LEU A 8 14.888 -4.991 -7.810 1.00 0.00 C ATOM 105 C LEU A 8 16.259 -4.902 -8.473 1.00 0.00 C ATOM 106 O LEU A 8 17.164 -5.675 -8.158 1.00 0.00 O ATOM 107 CB LEU A 8 14.876 -4.159 -6.526 1.00 0.00 C ATOM 108 CG LEU A 8 13.537 -3.525 -6.149 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.450 -3.315 -4.645 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.345 -2.208 -6.886 1.00 0.00 C ATOM 0 H LEU A 8 14.905 -6.726 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 8 14.144 -4.594 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.199 -4.795 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.616 -3.365 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 8 12.738 -4.204 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.490 -2.863 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.541 -4.275 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.256 -2.656 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.387 -1.771 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.149 -1.522 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.362 -2.387 -7.961 1.00 0.00 H new ATOM 122 N VAL A 9 16.406 -3.954 -9.393 1.00 0.00 N ATOM 123 CA VAL A 9 17.667 -3.762 -10.099 1.00 0.00 C ATOM 124 C VAL A 9 18.309 -2.432 -9.724 1.00 0.00 C ATOM 125 O VAL A 9 17.617 -1.448 -9.458 1.00 0.00 O ATOM 126 CB VAL A 9 17.469 -3.812 -11.626 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.781 -5.106 -12.034 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.674 -2.604 -12.099 1.00 0.00 C ATOM 0 H VAL A 9 15.667 -3.307 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 9 18.325 -4.577 -9.799 1.00 0.00 H new ATOM 0 HB VAL A 9 18.449 -3.784 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.650 -5.123 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.393 -5.955 -11.729 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.807 -5.168 -11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.543 -2.655 -13.180 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.697 -2.599 -11.615 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.211 -1.691 -11.841 1.00 0.00 H new ATOM 138 N LEU A 10 19.637 -2.407 -9.706 1.00 0.00 N ATOM 139 CA LEU A 10 20.375 -1.196 -9.364 1.00 0.00 C ATOM 140 C LEU A 10 20.801 -0.444 -10.621 1.00 0.00 C ATOM 141 O LEU A 10 21.157 -1.053 -11.630 1.00 0.00 O ATOM 142 CB LEU A 10 21.605 -1.545 -8.523 1.00 0.00 C ATOM 143 CG LEU A 10 22.663 -0.448 -8.394 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.082 0.776 -7.703 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.877 -0.965 -7.637 1.00 0.00 C ATOM 0 H LEU A 10 20.225 -3.211 -9.924 1.00 0.00 H new ATOM 0 HA LEU A 10 19.716 -0.551 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.270 -1.819 -7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.077 -2.428 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 10 22.981 -0.157 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.849 1.546 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.245 1.160 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.735 0.501 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.620 -0.171 -7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.575 -1.284 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.308 -1.810 -8.174 1.00 0.00 H new ATOM 157 N ALA A 11 20.764 0.882 -10.552 1.00 0.00 N ATOM 158 CA ALA A 11 21.150 1.717 -11.683 1.00 0.00 C ATOM 159 C ALA A 11 22.629 2.081 -11.617 1.00 0.00 C ATOM 160 O ALA A 11 23.050 2.859 -10.759 1.00 0.00 O ATOM 161 CB ALA A 11 20.296 2.975 -11.726 1.00 0.00 C ATOM 0 H ALA A 11 20.471 1.402 -9.725 1.00 0.00 H new ATOM 0 HA ALA A 11 20.984 1.147 -12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.595 3.589 -12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.247 2.699 -11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.433 3.540 -10.804 1.00 0.00 H new ATOM 167 N LEU A 12 23.415 1.515 -12.526 1.00 0.00 N ATOM 168 CA LEU A 12 24.848 1.780 -12.571 1.00 0.00 C ATOM 169 C LEU A 12 25.133 3.130 -13.221 1.00 0.00 C ATOM 170 O LEU A 12 25.933 3.917 -12.716 1.00 0.00 O ATOM 171 CB LEU A 12 25.569 0.669 -13.338 1.00 0.00 C ATOM 172 CG LEU A 12 25.162 -0.762 -12.986 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.756 -1.746 -13.982 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.598 -1.107 -11.569 1.00 0.00 C ATOM 0 H LEU A 12 23.083 0.869 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 12 25.219 1.806 -11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.400 0.822 -14.404 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.640 0.773 -13.167 1.00 0.00 H new ATOM 0 HG LEU A 12 24.076 -0.834 -13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.456 -2.759 -13.716 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.395 -1.512 -14.984 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.843 -1.673 -13.962 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.300 -2.129 -11.335 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.681 -1.018 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.125 -0.422 -10.866 1.00 0.00 H new ATOM 186 N TYR A 13 24.471 3.391 -14.343 1.00 0.00 N ATOM 187 CA TYR A 13 24.653 4.646 -15.063 1.00 0.00 C ATOM 188 C TYR A 13 23.342 5.422 -15.145 1.00 0.00 C ATOM 189 O TYR A 13 22.326 5.006 -14.588 1.00 0.00 O ATOM 190 CB TYR A 13 25.189 4.378 -16.470 1.00 0.00 C ATOM 191 CG TYR A 13 26.559 3.740 -16.485 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.710 4.516 -16.414 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.704 2.360 -16.569 1.00 0.00 C ATOM 194 CE1 TYR A 13 28.964 3.937 -16.428 1.00 0.00 C ATOM 195 CE2 TYR A 13 27.954 1.773 -16.582 1.00 0.00 C ATOM 196 CZ TYR A 13 29.081 2.565 -16.512 1.00 0.00 C ATOM 197 OH TYR A 13 30.329 1.985 -16.525 1.00 0.00 O ATOM 0 H TYR A 13 23.804 2.751 -14.773 1.00 0.00 H new ATOM 0 HA TYR A 13 25.377 5.248 -14.514 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.490 3.730 -16.999 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.229 5.319 -17.019 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.622 5.590 -16.347 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.824 1.736 -16.625 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.848 4.555 -16.373 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.049 0.699 -16.647 1.00 0.00 H new ATOM 0 HH TYR A 13 30.237 1.011 -16.587 1.00 0.00 H new ATOM 207 N ASP A 14 23.373 6.551 -15.844 1.00 0.00 N ATOM 208 CA ASP A 14 22.188 7.386 -16.001 1.00 0.00 C ATOM 209 C ASP A 14 21.536 7.153 -17.361 1.00 0.00 C ATOM 210 O ASP A 14 22.190 6.715 -18.307 1.00 0.00 O ATOM 211 CB ASP A 14 22.554 8.863 -15.844 1.00 0.00 C ATOM 212 CG ASP A 14 23.774 9.247 -16.658 1.00 0.00 C ATOM 213 OD1 ASP A 14 23.623 9.491 -17.873 1.00 0.00 O ATOM 214 OD2 ASP A 14 24.879 9.303 -16.080 1.00 0.00 O ATOM 0 H ASP A 14 24.206 6.909 -16.311 1.00 0.00 H new ATOM 0 HA ASP A 14 21.475 7.112 -15.224 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.708 9.478 -16.150 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.740 9.078 -14.792 1.00 0.00 H new ATOM 219 N TYR A 15 20.244 7.447 -17.449 1.00 0.00 N ATOM 220 CA TYR A 15 19.502 7.266 -18.692 1.00 0.00 C ATOM 221 C TYR A 15 18.532 8.421 -18.920 1.00 0.00 C ATOM 222 O TYR A 15 18.350 9.273 -18.051 1.00 0.00 O ATOM 223 CB TYR A 15 18.739 5.941 -18.666 1.00 0.00 C ATOM 224 CG TYR A 15 18.463 5.374 -20.040 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.494 5.171 -20.949 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.171 5.043 -20.431 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.247 4.654 -22.206 1.00 0.00 C ATOM 228 CE2 TYR A 15 16.915 4.524 -21.685 1.00 0.00 C ATOM 229 CZ TYR A 15 17.956 4.332 -22.569 1.00 0.00 C ATOM 230 OH TYR A 15 17.705 3.817 -23.820 1.00 0.00 O ATOM 0 H TYR A 15 19.688 7.812 -16.675 1.00 0.00 H new ATOM 0 HA TYR A 15 20.218 7.249 -19.514 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.311 5.213 -18.090 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.792 6.087 -18.145 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.506 5.422 -20.668 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.353 5.194 -19.742 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.060 4.503 -22.900 1.00 0.00 H new ATOM 0 HE2 TYR A 15 15.905 4.270 -21.972 1.00 0.00 H new ATOM 0 HH TYR A 15 18.007 2.886 -23.857 1.00 0.00 H new ATOM 240 N GLN A 16 17.911 8.440 -20.095 1.00 0.00 N ATOM 241 CA GLN A 16 16.959 9.490 -20.439 1.00 0.00 C ATOM 242 C GLN A 16 15.923 8.980 -21.435 1.00 0.00 C ATOM 243 O GLN A 16 16.181 8.920 -22.637 1.00 0.00 O ATOM 244 CB GLN A 16 17.691 10.701 -21.020 1.00 0.00 C ATOM 245 CG GLN A 16 17.035 12.029 -20.678 1.00 0.00 C ATOM 246 CD GLN A 16 17.622 12.666 -19.434 1.00 0.00 C ATOM 247 OE1 GLN A 16 18.539 13.484 -19.515 1.00 0.00 O ATOM 248 NE2 GLN A 16 17.095 12.295 -18.274 1.00 0.00 N ATOM 0 H GLN A 16 18.050 7.741 -20.824 1.00 0.00 H new ATOM 0 HA GLN A 16 16.442 9.790 -19.528 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.717 10.706 -20.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.742 10.599 -22.104 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.147 12.713 -21.519 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.966 11.875 -20.533 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.336 11.614 -18.253 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.449 12.691 -17.403 1.00 0.00 H new ATOM 257 N GLU A 17 14.750 8.614 -20.927 1.00 0.00 N ATOM 258 CA GLU A 17 13.676 8.108 -21.773 1.00 0.00 C ATOM 259 C GLU A 17 13.408 9.058 -22.937 1.00 0.00 C ATOM 260 O GLU A 17 13.611 10.267 -22.827 1.00 0.00 O ATOM 261 CB GLU A 17 12.399 7.915 -20.953 1.00 0.00 C ATOM 262 CG GLU A 17 11.939 9.174 -20.238 1.00 0.00 C ATOM 263 CD GLU A 17 11.189 10.124 -21.151 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.337 9.648 -21.931 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.454 11.342 -21.088 1.00 0.00 O ATOM 0 H GLU A 17 14.520 8.659 -19.934 1.00 0.00 H new ATOM 0 HA GLU A 17 13.988 7.145 -22.177 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.602 7.570 -21.612 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.566 7.129 -20.216 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.297 8.898 -19.401 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.805 9.687 -19.820 1.00 0.00 H new ATOM 272 N LYS A 18 12.950 8.501 -24.054 1.00 0.00 N ATOM 273 CA LYS A 18 12.653 9.296 -25.239 1.00 0.00 C ATOM 274 C LYS A 18 11.317 8.884 -25.849 1.00 0.00 C ATOM 275 O LYS A 18 10.949 9.345 -26.930 1.00 0.00 O ATOM 276 CB LYS A 18 13.768 9.141 -26.276 1.00 0.00 C ATOM 277 CG LYS A 18 13.569 7.961 -27.211 1.00 0.00 C ATOM 278 CD LYS A 18 13.430 6.657 -26.443 1.00 0.00 C ATOM 279 CE LYS A 18 14.664 6.372 -25.602 1.00 0.00 C ATOM 280 NZ LYS A 18 15.881 6.197 -26.442 1.00 0.00 N ATOM 0 H LYS A 18 12.777 7.502 -24.163 1.00 0.00 H new ATOM 0 HA LYS A 18 12.589 10.341 -24.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.833 10.055 -26.867 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.721 9.027 -25.759 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.678 8.123 -27.818 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.414 7.892 -27.896 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.552 6.705 -25.799 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.268 5.837 -27.142 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.822 7.191 -24.900 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.499 5.472 -25.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.661 5.840 -25.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.682 5.517 -27.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.151 7.112 -26.856 1.00 0.00 H new ATOM 294 N SER A 19 10.595 8.015 -25.149 1.00 0.00 N ATOM 295 CA SER A 19 9.300 7.540 -25.623 1.00 0.00 C ATOM 296 C SER A 19 8.298 7.457 -24.476 1.00 0.00 C ATOM 297 O SER A 19 8.664 7.413 -23.301 1.00 0.00 O ATOM 298 CB SER A 19 9.448 6.169 -26.286 1.00 0.00 C ATOM 299 OG SER A 19 9.016 5.134 -25.419 1.00 0.00 O ATOM 0 H SER A 19 10.885 7.626 -24.252 1.00 0.00 H new ATOM 0 HA SER A 19 8.926 8.253 -26.358 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.866 6.142 -27.207 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.490 6.005 -26.562 1.00 0.00 H new ATOM 0 HG SER A 19 9.119 4.268 -25.866 1.00 0.00 H new ATOM 305 N PRO A 20 7.003 7.436 -24.823 1.00 0.00 N ATOM 306 CA PRO A 20 5.920 7.358 -23.837 1.00 0.00 C ATOM 307 C PRO A 20 5.859 5.999 -23.149 1.00 0.00 C ATOM 308 O PRO A 20 5.282 5.864 -22.071 1.00 0.00 O ATOM 309 CB PRO A 20 4.661 7.591 -24.675 1.00 0.00 C ATOM 310 CG PRO A 20 5.035 7.159 -26.050 1.00 0.00 C ATOM 311 CD PRO A 20 6.495 7.486 -26.204 1.00 0.00 C ATOM 0 HA PRO A 20 6.051 8.079 -23.030 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.819 7.013 -24.294 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.362 8.639 -24.657 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.858 6.092 -26.186 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.437 7.679 -26.799 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.003 6.766 -26.845 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.642 8.469 -26.651 1.00 0.00 H new ATOM 319 N ARG A 21 6.459 4.994 -23.780 1.00 0.00 N ATOM 320 CA ARG A 21 6.471 3.645 -23.229 1.00 0.00 C ATOM 321 C ARG A 21 7.869 3.267 -22.748 1.00 0.00 C ATOM 322 O ARG A 21 8.279 2.111 -22.849 1.00 0.00 O ATOM 323 CB ARG A 21 5.991 2.638 -24.276 1.00 0.00 C ATOM 324 CG ARG A 21 5.236 1.458 -23.687 1.00 0.00 C ATOM 325 CD ARG A 21 3.759 1.774 -23.511 1.00 0.00 C ATOM 326 NE ARG A 21 3.053 1.820 -24.789 1.00 0.00 N ATOM 327 CZ ARG A 21 1.734 1.928 -24.896 1.00 0.00 C ATOM 328 NH1 ARG A 21 0.981 2.001 -23.807 1.00 0.00 N ATOM 329 NH2 ARG A 21 1.165 1.963 -26.094 1.00 0.00 N ATOM 0 H ARG A 21 6.943 5.089 -24.673 1.00 0.00 H new ATOM 0 HA ARG A 21 5.793 3.622 -22.376 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.347 3.150 -24.991 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.852 2.266 -24.832 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.349 0.591 -24.338 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.670 1.192 -22.723 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.301 1.020 -22.871 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.651 2.732 -23.003 1.00 0.00 H new ATOM 0 HE ARG A 21 3.603 1.766 -25.646 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.415 1.974 -22.884 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.032 2.084 -23.892 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.741 1.907 -26.934 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.152 2.046 -26.175 1.00 0.00 H new ATOM 343 N GLU A 22 8.596 4.250 -22.226 1.00 0.00 N ATOM 344 CA GLU A 22 9.948 4.020 -21.731 1.00 0.00 C ATOM 345 C GLU A 22 10.186 4.775 -20.426 1.00 0.00 C ATOM 346 O GLU A 22 9.598 5.831 -20.191 1.00 0.00 O ATOM 347 CB GLU A 22 10.978 4.451 -22.777 1.00 0.00 C ATOM 348 CG GLU A 22 12.371 3.901 -22.522 1.00 0.00 C ATOM 349 CD GLU A 22 13.157 3.686 -23.801 1.00 0.00 C ATOM 350 OE1 GLU A 22 12.660 4.083 -24.876 1.00 0.00 O ATOM 351 OE2 GLU A 22 14.268 3.121 -23.727 1.00 0.00 O ATOM 0 H GLU A 22 8.271 5.213 -22.135 1.00 0.00 H new ATOM 0 HA GLU A 22 10.060 2.953 -21.539 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.642 4.125 -23.761 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.025 5.540 -22.801 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.917 4.589 -21.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.292 2.955 -21.986 1.00 0.00 H new ATOM 358 N VAL A 23 11.051 4.226 -19.580 1.00 0.00 N ATOM 359 CA VAL A 23 11.368 4.846 -18.300 1.00 0.00 C ATOM 360 C VAL A 23 12.817 5.318 -18.261 1.00 0.00 C ATOM 361 O VAL A 23 13.554 5.178 -19.237 1.00 0.00 O ATOM 362 CB VAL A 23 11.124 3.874 -17.130 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.635 3.732 -16.855 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.753 2.520 -17.423 1.00 0.00 C ATOM 0 H VAL A 23 11.545 3.352 -19.759 1.00 0.00 H new ATOM 0 HA VAL A 23 10.707 5.706 -18.193 1.00 0.00 H new ATOM 0 HB VAL A 23 11.596 4.282 -16.236 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.482 3.042 -16.025 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.218 4.706 -16.598 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.136 3.347 -17.744 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.571 1.846 -16.586 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.312 2.102 -18.328 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.827 2.641 -17.565 1.00 0.00 H new ATOM 374 N THR A 24 13.221 5.878 -17.125 1.00 0.00 N ATOM 375 CA THR A 24 14.582 6.372 -16.958 1.00 0.00 C ATOM 376 C THR A 24 15.046 6.228 -15.513 1.00 0.00 C ATOM 377 O THR A 24 14.232 6.085 -14.602 1.00 0.00 O ATOM 378 CB THR A 24 14.700 7.849 -17.379 1.00 0.00 C ATOM 379 OG1 THR A 24 16.047 8.143 -17.765 1.00 0.00 O ATOM 380 CG2 THR A 24 14.281 8.770 -16.242 1.00 0.00 C ATOM 0 H THR A 24 12.625 6.001 -16.307 1.00 0.00 H new ATOM 0 HA THR A 24 15.219 5.767 -17.603 1.00 0.00 H new ATOM 0 HB THR A 24 14.035 8.017 -18.226 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.305 9.020 -17.411 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.372 9.808 -16.562 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.246 8.564 -15.970 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.924 8.598 -15.379 1.00 0.00 H new ATOM 388 N MET A 25 16.359 6.268 -15.311 1.00 0.00 N ATOM 389 CA MET A 25 16.930 6.145 -13.975 1.00 0.00 C ATOM 390 C MET A 25 18.318 6.776 -13.917 1.00 0.00 C ATOM 391 O MET A 25 18.908 7.100 -14.947 1.00 0.00 O ATOM 392 CB MET A 25 17.009 4.673 -13.565 1.00 0.00 C ATOM 393 CG MET A 25 18.297 3.990 -13.996 1.00 0.00 C ATOM 394 SD MET A 25 18.506 3.967 -15.787 1.00 0.00 S ATOM 395 CE MET A 25 17.414 2.621 -16.238 1.00 0.00 C ATOM 0 H MET A 25 17.047 6.385 -16.055 1.00 0.00 H new ATOM 0 HA MET A 25 16.280 6.675 -13.279 1.00 0.00 H new ATOM 0 HB2 MET A 25 16.914 4.601 -12.482 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.162 4.138 -13.996 1.00 0.00 H new ATOM 0 HG2 MET A 25 19.145 4.503 -13.542 1.00 0.00 H new ATOM 0 HG3 MET A 25 18.304 2.967 -13.620 1.00 0.00 H new ATOM 0 HE1 MET A 25 17.972 1.873 -16.801 1.00 0.00 H new ATOM 0 HE2 MET A 25 17.005 2.166 -15.336 1.00 0.00 H new ATOM 0 HE3 MET A 25 16.599 3.004 -16.853 1.00 0.00 H new ATOM 405 N LYS A 26 18.834 6.948 -12.704 1.00 0.00 N ATOM 406 CA LYS A 26 20.152 7.540 -12.511 1.00 0.00 C ATOM 407 C LYS A 26 21.030 6.640 -11.647 1.00 0.00 C ATOM 408 O LYS A 26 20.534 5.762 -10.942 1.00 0.00 O ATOM 409 CB LYS A 26 20.024 8.920 -11.863 1.00 0.00 C ATOM 410 CG LYS A 26 21.152 9.870 -12.227 1.00 0.00 C ATOM 411 CD LYS A 26 20.692 11.318 -12.199 1.00 0.00 C ATOM 412 CE LYS A 26 20.386 11.779 -10.782 1.00 0.00 C ATOM 413 NZ LYS A 26 20.489 13.258 -10.646 1.00 0.00 N ATOM 0 H LYS A 26 18.359 6.686 -11.840 1.00 0.00 H new ATOM 0 HA LYS A 26 20.622 7.647 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.075 9.365 -12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.995 8.802 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 26 21.980 9.737 -11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 26 21.528 9.626 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 26 21.464 11.954 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.803 11.430 -12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.382 11.458 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 26 21.077 11.301 -10.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.273 13.532 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 21.454 13.562 -10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.812 13.714 -11.290 1.00 0.00 H new ATOM 427 N LYS A 27 22.339 6.866 -11.705 1.00 0.00 N ATOM 428 CA LYS A 27 23.287 6.079 -10.926 1.00 0.00 C ATOM 429 C LYS A 27 22.893 6.055 -9.452 1.00 0.00 C ATOM 430 O LYS A 27 22.674 7.100 -8.841 1.00 0.00 O ATOM 431 CB LYS A 27 24.700 6.646 -11.078 1.00 0.00 C ATOM 432 CG LYS A 27 24.779 8.147 -10.859 1.00 0.00 C ATOM 433 CD LYS A 27 25.104 8.883 -12.148 1.00 0.00 C ATOM 434 CE LYS A 27 25.979 10.100 -11.890 1.00 0.00 C ATOM 435 NZ LYS A 27 25.744 11.175 -12.894 1.00 0.00 N ATOM 0 H LYS A 27 22.767 7.588 -12.284 1.00 0.00 H new ATOM 0 HA LYS A 27 23.270 5.057 -11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.361 6.148 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.071 6.413 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.830 8.508 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.541 8.367 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.613 8.207 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.179 9.195 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.778 10.486 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.028 9.805 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.359 11.987 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.960 10.815 -13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.749 11.475 -12.855 1.00 0.00 H new ATOM 449 N GLY A 28 22.807 4.855 -8.886 1.00 0.00 N ATOM 450 CA GLY A 28 22.442 4.719 -7.488 1.00 0.00 C ATOM 451 C GLY A 28 20.950 4.532 -7.294 1.00 0.00 C ATOM 452 O GLY A 28 20.477 4.382 -6.168 1.00 0.00 O ATOM 0 H GLY A 28 22.984 3.975 -9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.971 3.868 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.768 5.605 -6.943 1.00 0.00 H new ATOM 456 N ASP A 29 20.206 4.544 -8.395 1.00 0.00 N ATOM 457 CA ASP A 29 18.759 4.375 -8.341 1.00 0.00 C ATOM 458 C ASP A 29 18.384 2.896 -8.327 1.00 0.00 C ATOM 459 O ASP A 29 19.221 2.032 -8.591 1.00 0.00 O ATOM 460 CB ASP A 29 18.098 5.069 -9.533 1.00 0.00 C ATOM 461 CG ASP A 29 18.244 6.577 -9.478 1.00 0.00 C ATOM 462 OD1 ASP A 29 19.090 7.063 -8.699 1.00 0.00 O ATOM 463 OD2 ASP A 29 17.511 7.272 -10.213 1.00 0.00 O ATOM 0 H ASP A 29 20.581 4.669 -9.335 1.00 0.00 H new ATOM 0 HA ASP A 29 18.400 4.832 -7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.540 4.697 -10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.040 4.810 -9.560 1.00 0.00 H new ATOM 468 N ILE A 30 17.124 2.613 -8.017 1.00 0.00 N ATOM 469 CA ILE A 30 16.639 1.239 -7.968 1.00 0.00 C ATOM 470 C ILE A 30 15.246 1.126 -8.578 1.00 0.00 C ATOM 471 O ILE A 30 14.358 1.924 -8.277 1.00 0.00 O ATOM 472 CB ILE A 30 16.600 0.707 -6.524 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.929 0.986 -5.818 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.294 -0.784 -6.517 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.959 0.521 -4.379 1.00 0.00 C ATOM 0 H ILE A 30 16.420 3.317 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 30 17.337 0.637 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 30 15.807 1.224 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.733 0.495 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.130 2.057 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.270 -1.146 -5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.326 -0.959 -6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.067 -1.317 -7.071 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.931 0.751 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.178 1.031 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.790 -0.555 -4.341 1.00 0.00 H new ATOM 487 N LEU A 31 15.061 0.128 -9.434 1.00 0.00 N ATOM 488 CA LEU A 31 13.774 -0.093 -10.086 1.00 0.00 C ATOM 489 C LEU A 31 13.320 -1.539 -9.919 1.00 0.00 C ATOM 490 O LEU A 31 14.137 -2.461 -9.908 1.00 0.00 O ATOM 491 CB LEU A 31 13.866 0.256 -11.572 1.00 0.00 C ATOM 492 CG LEU A 31 14.117 1.729 -11.901 1.00 0.00 C ATOM 493 CD1 LEU A 31 13.185 2.622 -11.098 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.570 2.095 -11.635 1.00 0.00 C ATOM 0 H LEU A 31 15.785 -0.542 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 31 13.038 0.556 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.667 -0.336 -12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.938 -0.051 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 31 13.912 1.885 -12.960 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.378 3.666 -11.345 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.150 2.378 -11.339 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.357 2.464 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.730 3.146 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.802 1.923 -10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.220 1.478 -12.256 1.00 0.00 H new ATOM 506 N THR A 32 12.011 -1.732 -9.791 1.00 0.00 N ATOM 507 CA THR A 32 11.448 -3.066 -9.625 1.00 0.00 C ATOM 508 C THR A 32 11.362 -3.796 -10.961 1.00 0.00 C ATOM 509 O THR A 32 10.613 -3.395 -11.853 1.00 0.00 O ATOM 510 CB THR A 32 10.044 -3.009 -8.994 1.00 0.00 C ATOM 511 OG1 THR A 32 10.116 -2.417 -7.692 1.00 0.00 O ATOM 512 CG2 THR A 32 9.440 -4.401 -8.890 1.00 0.00 C ATOM 0 H THR A 32 11.321 -0.981 -9.799 1.00 0.00 H new ATOM 0 HA THR A 32 12.116 -3.610 -8.958 1.00 0.00 H new ATOM 0 HB THR A 32 9.406 -2.401 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.445 -1.707 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.449 -4.335 -8.441 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.359 -4.838 -9.885 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.078 -5.029 -8.269 1.00 0.00 H new ATOM 520 N LEU A 33 12.133 -4.870 -11.093 1.00 0.00 N ATOM 521 CA LEU A 33 12.144 -5.658 -12.321 1.00 0.00 C ATOM 522 C LEU A 33 10.824 -6.399 -12.504 1.00 0.00 C ATOM 523 O LEU A 33 10.304 -7.005 -11.565 1.00 0.00 O ATOM 524 CB LEU A 33 13.304 -6.655 -12.300 1.00 0.00 C ATOM 525 CG LEU A 33 13.707 -7.244 -13.652 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.648 -8.216 -14.148 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.935 -6.136 -14.670 1.00 0.00 C ATOM 0 H LEU A 33 12.759 -5.215 -10.365 1.00 0.00 H new ATOM 0 HA LEU A 33 12.275 -4.975 -13.161 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.174 -6.161 -11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.040 -7.476 -11.633 1.00 0.00 H new ATOM 0 HG LEU A 33 14.641 -7.791 -13.524 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.952 -8.625 -15.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.534 -9.027 -13.429 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.698 -7.693 -14.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.221 -6.574 -15.626 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.017 -5.561 -14.794 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.730 -5.478 -14.320 1.00 0.00 H new ATOM 539 N LEU A 34 10.287 -6.350 -13.718 1.00 0.00 N ATOM 540 CA LEU A 34 9.028 -7.019 -14.026 1.00 0.00 C ATOM 541 C LEU A 34 9.233 -8.112 -15.069 1.00 0.00 C ATOM 542 O LEU A 34 8.756 -9.235 -14.908 1.00 0.00 O ATOM 543 CB LEU A 34 7.998 -6.005 -14.528 1.00 0.00 C ATOM 544 CG LEU A 34 7.573 -4.929 -13.529 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.450 -4.080 -14.104 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.146 -5.562 -12.213 1.00 0.00 C ATOM 0 H LEU A 34 10.704 -5.854 -14.505 1.00 0.00 H new ATOM 0 HA LEU A 34 8.657 -7.481 -13.111 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.404 -5.512 -15.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.108 -6.548 -14.847 1.00 0.00 H new ATOM 0 HG LEU A 34 8.428 -4.281 -13.337 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.161 -3.320 -13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.791 -3.597 -15.020 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.592 -4.714 -14.327 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.847 -4.781 -11.514 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.306 -6.234 -12.388 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.979 -6.125 -11.793 1.00 0.00 H new ATOM 558 N ASN A 35 9.948 -7.776 -16.138 1.00 0.00 N ATOM 559 CA ASN A 35 10.218 -8.730 -17.208 1.00 0.00 C ATOM 560 C ASN A 35 11.689 -8.696 -17.608 1.00 0.00 C ATOM 561 O ASN A 35 12.222 -7.646 -17.965 1.00 0.00 O ATOM 562 CB ASN A 35 9.339 -8.428 -18.423 1.00 0.00 C ATOM 563 CG ASN A 35 8.855 -9.687 -19.114 1.00 0.00 C ATOM 564 OD1 ASN A 35 8.885 -10.775 -18.539 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.404 -9.545 -20.356 1.00 0.00 N ATOM 0 H ASN A 35 10.351 -6.851 -16.286 1.00 0.00 H new ATOM 0 HA ASN A 35 9.984 -9.728 -16.839 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.479 -7.837 -18.108 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.901 -7.821 -19.133 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.065 -10.357 -20.871 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.397 -8.624 -20.794 1.00 0.00 H new ATOM 572 N SER A 36 12.341 -9.853 -17.547 1.00 0.00 N ATOM 573 CA SER A 36 13.752 -9.956 -17.900 1.00 0.00 C ATOM 574 C SER A 36 13.966 -11.013 -18.978 1.00 0.00 C ATOM 575 O SER A 36 15.058 -11.568 -19.113 1.00 0.00 O ATOM 576 CB SER A 36 14.585 -10.296 -16.663 1.00 0.00 C ATOM 577 OG SER A 36 14.156 -11.513 -16.078 1.00 0.00 O ATOM 0 H SER A 36 11.914 -10.733 -17.256 1.00 0.00 H new ATOM 0 HA SER A 36 14.075 -8.992 -18.292 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.637 -10.372 -16.939 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.504 -9.490 -15.934 1.00 0.00 H new ATOM 0 HG SER A 36 14.705 -11.709 -15.290 1.00 0.00 H new ATOM 583 N THR A 37 12.916 -11.288 -19.746 1.00 0.00 N ATOM 584 CA THR A 37 12.988 -12.280 -20.812 1.00 0.00 C ATOM 585 C THR A 37 14.110 -11.955 -21.791 1.00 0.00 C ATOM 586 O THR A 37 14.745 -12.853 -22.342 1.00 0.00 O ATOM 587 CB THR A 37 11.658 -12.370 -21.585 1.00 0.00 C ATOM 588 OG1 THR A 37 11.757 -13.358 -22.616 1.00 0.00 O ATOM 589 CG2 THR A 37 11.296 -11.025 -22.198 1.00 0.00 C ATOM 0 H THR A 37 12.006 -10.838 -19.650 1.00 0.00 H new ATOM 0 HA THR A 37 13.191 -13.240 -20.337 1.00 0.00 H new ATOM 0 HB THR A 37 10.874 -12.655 -20.883 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.907 -13.410 -23.102 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.354 -11.113 -22.739 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.193 -10.281 -21.408 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.082 -10.716 -22.887 1.00 0.00 H new ATOM 597 N ASN A 38 14.351 -10.665 -22.001 1.00 0.00 N ATOM 598 CA ASN A 38 15.399 -10.222 -22.914 1.00 0.00 C ATOM 599 C ASN A 38 16.716 -10.019 -22.172 1.00 0.00 C ATOM 600 O ASN A 38 16.766 -10.081 -20.943 1.00 0.00 O ATOM 601 CB ASN A 38 14.985 -8.921 -23.606 1.00 0.00 C ATOM 602 CG ASN A 38 15.465 -8.853 -25.043 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.099 -7.880 -25.451 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.163 -9.888 -25.817 1.00 0.00 N ATOM 0 H ASN A 38 13.835 -9.908 -21.552 1.00 0.00 H new ATOM 0 HA ASN A 38 15.542 -10.997 -23.667 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.899 -8.830 -23.584 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.387 -8.073 -23.051 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.459 -9.898 -26.793 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.635 -10.673 -25.436 1.00 0.00 H new ATOM 611 N LYS A 39 17.782 -9.775 -22.927 1.00 0.00 N ATOM 612 CA LYS A 39 19.101 -9.560 -22.343 1.00 0.00 C ATOM 613 C LYS A 39 19.596 -8.145 -22.622 1.00 0.00 C ATOM 614 O LYS A 39 20.452 -7.624 -21.906 1.00 0.00 O ATOM 615 CB LYS A 39 20.099 -10.579 -22.898 1.00 0.00 C ATOM 616 CG LYS A 39 20.372 -10.417 -24.383 1.00 0.00 C ATOM 617 CD LYS A 39 21.144 -11.601 -24.941 1.00 0.00 C ATOM 618 CE LYS A 39 20.210 -12.711 -25.397 1.00 0.00 C ATOM 619 NZ LYS A 39 20.930 -14.001 -25.583 1.00 0.00 N ATOM 0 H LYS A 39 17.758 -9.721 -23.945 1.00 0.00 H new ATOM 0 HA LYS A 39 19.019 -9.691 -21.264 1.00 0.00 H new ATOM 0 HB2 LYS A 39 21.038 -10.489 -22.353 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.719 -11.584 -22.715 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.428 -10.312 -24.918 1.00 0.00 H new ATOM 0 HG3 LYS A 39 20.937 -9.501 -24.552 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.758 -11.273 -25.780 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.823 -11.985 -24.180 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.415 -12.841 -24.662 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.734 -12.423 -26.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.258 -14.732 -25.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.672 -13.884 -26.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.363 -14.290 -24.683 1.00 0.00 H new ATOM 633 N ASP A 40 19.052 -7.527 -23.665 1.00 0.00 N ATOM 634 CA ASP A 40 19.436 -6.171 -24.036 1.00 0.00 C ATOM 635 C ASP A 40 18.699 -5.144 -23.183 1.00 0.00 C ATOM 636 O ASP A 40 19.314 -4.252 -22.598 1.00 0.00 O ATOM 637 CB ASP A 40 19.147 -5.923 -25.518 1.00 0.00 C ATOM 638 CG ASP A 40 19.957 -6.828 -26.425 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.146 -6.527 -26.654 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.401 -7.838 -26.907 1.00 0.00 O ATOM 0 H ASP A 40 18.343 -7.944 -24.268 1.00 0.00 H new ATOM 0 HA ASP A 40 20.506 -6.062 -23.859 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.085 -6.078 -25.709 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.365 -4.883 -25.759 1.00 0.00 H new ATOM 645 N TRP A 41 17.379 -5.275 -23.117 1.00 0.00 N ATOM 646 CA TRP A 41 16.558 -4.358 -22.335 1.00 0.00 C ATOM 647 C TRP A 41 15.567 -5.121 -21.463 1.00 0.00 C ATOM 648 O TRP A 41 15.040 -6.157 -21.869 1.00 0.00 O ATOM 649 CB TRP A 41 15.808 -3.398 -23.260 1.00 0.00 C ATOM 650 CG TRP A 41 16.694 -2.727 -24.265 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.206 -3.278 -25.405 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.175 -1.379 -24.219 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.976 -2.355 -26.070 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.972 -1.181 -25.363 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.008 -0.319 -23.323 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.600 0.032 -25.632 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.632 0.885 -23.592 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.419 1.053 -24.739 1.00 0.00 C ATOM 0 H TRP A 41 16.854 -6.007 -23.596 1.00 0.00 H new ATOM 0 HA TRP A 41 17.218 -3.784 -21.684 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.026 -3.947 -23.785 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.313 -2.637 -22.657 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.031 -4.291 -25.735 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.470 -2.517 -26.947 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.402 -0.438 -22.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.209 0.163 -26.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.511 1.710 -22.906 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.892 2.007 -24.922 1.00 0.00 H new ATOM 669 N TRP A 42 15.319 -4.604 -20.266 1.00 0.00 N ATOM 670 CA TRP A 42 14.390 -5.239 -19.337 1.00 0.00 C ATOM 671 C TRP A 42 13.246 -4.295 -18.982 1.00 0.00 C ATOM 672 O TRP A 42 13.353 -3.081 -19.154 1.00 0.00 O ATOM 673 CB TRP A 42 15.124 -5.672 -18.067 1.00 0.00 C ATOM 674 CG TRP A 42 16.301 -6.560 -18.334 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.458 -7.418 -19.386 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.484 -6.679 -17.536 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.668 -8.063 -19.289 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.316 -7.627 -18.164 1.00 0.00 C ATOM 679 CE3 TRP A 42 17.921 -6.076 -16.354 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.559 -7.984 -17.647 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.155 -6.432 -15.842 1.00 0.00 C ATOM 682 CH2 TRP A 42 19.962 -7.378 -16.488 1.00 0.00 C ATOM 0 H TRP A 42 15.747 -3.747 -19.915 1.00 0.00 H new ATOM 0 HA TRP A 42 13.971 -6.120 -19.824 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.462 -4.785 -17.531 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.426 -6.194 -17.412 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.738 -7.567 -20.177 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.025 -8.754 -19.948 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.306 -5.345 -15.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.183 -8.713 -18.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.503 -5.973 -14.928 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.921 -7.634 -16.063 1.00 0.00 H new ATOM 693 N LYS A 43 12.152 -4.861 -18.484 1.00 0.00 N ATOM 694 CA LYS A 43 10.987 -4.071 -18.103 1.00 0.00 C ATOM 695 C LYS A 43 10.966 -3.825 -16.598 1.00 0.00 C ATOM 696 O LYS A 43 11.095 -4.758 -15.804 1.00 0.00 O ATOM 697 CB LYS A 43 9.701 -4.780 -18.533 1.00 0.00 C ATOM 698 CG LYS A 43 8.440 -4.143 -17.974 1.00 0.00 C ATOM 699 CD LYS A 43 7.465 -3.774 -19.080 1.00 0.00 C ATOM 700 CE LYS A 43 8.043 -2.710 -20.000 1.00 0.00 C ATOM 701 NZ LYS A 43 7.098 -2.350 -21.093 1.00 0.00 N ATOM 0 H LYS A 43 12.048 -5.865 -18.335 1.00 0.00 H new ATOM 0 HA LYS A 43 11.050 -3.108 -18.610 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.644 -4.784 -19.622 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.745 -5.821 -18.213 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.960 -4.832 -17.279 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.703 -3.250 -17.406 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.218 -4.663 -19.660 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.536 -3.411 -18.641 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.283 -1.819 -19.419 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.977 -3.071 -20.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.504 -2.629 -22.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.196 -2.846 -20.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.933 -1.323 -21.085 1.00 0.00 H new ATOM 715 N VAL A 44 10.801 -2.564 -16.211 1.00 0.00 N ATOM 716 CA VAL A 44 10.760 -2.196 -14.800 1.00 0.00 C ATOM 717 C VAL A 44 9.562 -1.303 -14.500 1.00 0.00 C ATOM 718 O VAL A 44 8.986 -0.696 -15.403 1.00 0.00 O ATOM 719 CB VAL A 44 12.048 -1.469 -14.372 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.249 -2.395 -14.493 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.250 -0.210 -15.202 1.00 0.00 C ATOM 0 H VAL A 44 10.694 -1.780 -16.855 1.00 0.00 H new ATOM 0 HA VAL A 44 10.670 -3.123 -14.234 1.00 0.00 H new ATOM 0 HB VAL A 44 11.949 -1.176 -13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.150 -1.864 -14.186 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.104 -3.264 -13.852 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.354 -2.721 -15.528 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.165 0.291 -14.886 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.328 -0.478 -16.256 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.402 0.460 -15.060 1.00 0.00 H new ATOM 731 N GLU A 45 9.191 -1.227 -13.225 1.00 0.00 N ATOM 732 CA GLU A 45 8.060 -0.408 -12.806 1.00 0.00 C ATOM 733 C GLU A 45 8.527 0.768 -11.953 1.00 0.00 C ATOM 734 O GLU A 45 9.076 0.582 -10.867 1.00 0.00 O ATOM 735 CB GLU A 45 7.053 -1.252 -12.023 1.00 0.00 C ATOM 736 CG GLU A 45 5.615 -0.790 -12.187 1.00 0.00 C ATOM 737 CD GLU A 45 4.613 -1.897 -11.924 1.00 0.00 C ATOM 738 OE1 GLU A 45 5.013 -2.937 -11.359 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.429 -1.725 -12.283 1.00 0.00 O ATOM 0 H GLU A 45 9.657 -1.723 -12.465 1.00 0.00 H new ATOM 0 HA GLU A 45 7.576 -0.016 -13.701 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.132 -2.290 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.315 -1.227 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.423 0.038 -11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.473 -0.409 -13.198 1.00 0.00 H new ATOM 746 N VAL A 46 8.305 1.980 -12.454 1.00 0.00 N ATOM 747 CA VAL A 46 8.701 3.187 -11.738 1.00 0.00 C ATOM 748 C VAL A 46 7.483 3.952 -11.234 1.00 0.00 C ATOM 749 O VAL A 46 6.363 3.732 -11.696 1.00 0.00 O ATOM 750 CB VAL A 46 9.545 4.116 -12.631 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.757 3.377 -13.178 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.699 4.680 -13.762 1.00 0.00 C ATOM 0 H VAL A 46 7.853 2.151 -13.352 1.00 0.00 H new ATOM 0 HA VAL A 46 9.302 2.868 -10.887 1.00 0.00 H new ATOM 0 HB VAL A 46 9.901 4.948 -12.024 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.340 4.050 -13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.374 3.027 -12.350 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.426 2.524 -13.770 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.311 5.334 -14.383 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.311 3.862 -14.369 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.868 5.249 -13.346 1.00 0.00 H new ATOM 762 N LYS A 47 7.709 4.853 -10.284 1.00 0.00 N ATOM 763 CA LYS A 47 6.631 5.653 -9.716 1.00 0.00 C ATOM 764 C LYS A 47 6.663 7.076 -10.265 1.00 0.00 C ATOM 765 O LYS A 47 7.718 7.708 -10.315 1.00 0.00 O ATOM 766 CB LYS A 47 6.737 5.681 -8.190 1.00 0.00 C ATOM 767 CG LYS A 47 6.688 4.304 -7.552 1.00 0.00 C ATOM 768 CD LYS A 47 6.706 4.391 -6.035 1.00 0.00 C ATOM 769 CE LYS A 47 5.376 4.889 -5.490 1.00 0.00 C ATOM 770 NZ LYS A 47 5.424 5.098 -4.016 1.00 0.00 N ATOM 0 H LYS A 47 8.630 5.047 -9.891 1.00 0.00 H new ATOM 0 HA LYS A 47 5.684 5.194 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.669 6.170 -7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.925 6.287 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.787 3.783 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.538 3.713 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.928 3.410 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.505 5.061 -5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.110 5.825 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.593 4.170 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.499 5.437 -3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.653 4.199 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.154 5.803 -3.789 1.00 0.00 H new ATOM 784 N ALA A 48 5.501 7.575 -10.673 1.00 0.00 N ATOM 785 CA ALA A 48 5.397 8.925 -11.214 1.00 0.00 C ATOM 786 C ALA A 48 4.402 9.761 -10.416 1.00 0.00 C ATOM 787 O ALA A 48 3.377 9.255 -9.956 1.00 0.00 O ATOM 788 CB ALA A 48 4.992 8.876 -12.680 1.00 0.00 C ATOM 0 H ALA A 48 4.618 7.065 -10.639 1.00 0.00 H new ATOM 0 HA ALA A 48 6.376 9.398 -11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.918 9.891 -13.071 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.741 8.323 -13.246 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.026 8.380 -12.774 1.00 0.00 H new ATOM 794 N THR A 49 4.710 11.044 -10.253 1.00 0.00 N ATOM 795 CA THR A 49 3.844 11.950 -9.509 1.00 0.00 C ATOM 796 C THR A 49 3.122 12.912 -10.444 1.00 0.00 C ATOM 797 O THR A 49 3.753 13.636 -11.214 1.00 0.00 O ATOM 798 CB THR A 49 4.641 12.762 -8.471 1.00 0.00 C ATOM 799 OG1 THR A 49 5.298 11.877 -7.556 1.00 0.00 O ATOM 800 CG2 THR A 49 3.726 13.705 -7.704 1.00 0.00 C ATOM 0 H THR A 49 5.553 11.479 -10.627 1.00 0.00 H new ATOM 0 HA THR A 49 3.110 11.332 -8.991 1.00 0.00 H new ATOM 0 HB THR A 49 5.387 13.355 -9.001 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.804 12.401 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.311 14.268 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.250 14.396 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.961 13.128 -7.185 1.00 0.00 H new ATOM 808 N ALA A 50 1.795 12.916 -10.372 1.00 0.00 N ATOM 809 CA ALA A 50 0.986 13.791 -11.211 1.00 0.00 C ATOM 810 C ALA A 50 -0.345 14.117 -10.543 1.00 0.00 C ATOM 811 O ALA A 50 -0.940 13.270 -9.878 1.00 0.00 O ATOM 812 CB ALA A 50 0.753 13.151 -12.572 1.00 0.00 C ATOM 0 H ALA A 50 1.257 12.322 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 50 1.531 14.725 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.147 13.816 -13.188 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.711 12.976 -13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.233 12.202 -12.443 1.00 0.00 H new ATOM 818 N ASN A 51 -0.806 15.350 -10.723 1.00 0.00 N ATOM 819 CA ASN A 51 -2.067 15.788 -10.136 1.00 0.00 C ATOM 820 C ASN A 51 -2.055 15.603 -8.621 1.00 0.00 C ATOM 821 O ASN A 51 -3.103 15.447 -7.996 1.00 0.00 O ATOM 822 CB ASN A 51 -3.235 15.011 -10.746 1.00 0.00 C ATOM 823 CG ASN A 51 -3.077 14.810 -12.241 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.354 15.711 -13.033 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.630 13.623 -12.634 1.00 0.00 N ATOM 0 H ASN A 51 -0.325 16.064 -11.271 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.191 16.849 -10.354 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.316 14.040 -10.258 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.165 15.545 -10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.504 13.429 -13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.413 12.905 -11.942 1.00 0.00 H new ATOM 832 N GLY A 52 -0.861 15.622 -8.038 1.00 0.00 N ATOM 833 CA GLY A 52 -0.734 15.456 -6.602 1.00 0.00 C ATOM 834 C GLY A 52 -0.950 14.021 -6.163 1.00 0.00 C ATOM 835 O GLY A 52 -1.267 13.759 -5.002 1.00 0.00 O ATOM 0 H GLY A 52 0.021 15.749 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.257 15.784 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.457 16.099 -6.100 1.00 0.00 H new ATOM 839 N LYS A 53 -0.781 13.087 -7.093 1.00 0.00 N ATOM 840 CA LYS A 53 -0.959 11.671 -6.798 1.00 0.00 C ATOM 841 C LYS A 53 0.157 10.840 -7.422 1.00 0.00 C ATOM 842 O LYS A 53 0.555 11.073 -8.564 1.00 0.00 O ATOM 843 CB LYS A 53 -2.317 11.189 -7.313 1.00 0.00 C ATOM 844 CG LYS A 53 -3.495 11.729 -6.521 1.00 0.00 C ATOM 845 CD LYS A 53 -3.658 11.001 -5.197 1.00 0.00 C ATOM 846 CE LYS A 53 -4.366 9.667 -5.378 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.136 9.278 -4.165 1.00 0.00 N ATOM 0 H LYS A 53 -0.521 13.286 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.921 11.544 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.426 11.484 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.341 10.100 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.353 12.794 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.407 11.626 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.678 10.836 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.225 11.624 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.040 9.727 -6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.632 8.894 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.604 8.364 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.489 9.196 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.854 10.003 -3.962 1.00 0.00 H new ATOM 861 N THR A 54 0.659 9.868 -6.667 1.00 0.00 N ATOM 862 CA THR A 54 1.729 9.002 -7.146 1.00 0.00 C ATOM 863 C THR A 54 1.177 7.673 -7.648 1.00 0.00 C ATOM 864 O THR A 54 0.335 7.053 -6.997 1.00 0.00 O ATOM 865 CB THR A 54 2.768 8.729 -6.042 1.00 0.00 C ATOM 866 OG1 THR A 54 2.107 8.504 -4.792 1.00 0.00 O ATOM 867 CG2 THR A 54 3.733 9.897 -5.907 1.00 0.00 C ATOM 0 H THR A 54 0.341 9.661 -5.720 1.00 0.00 H new ATOM 0 HA THR A 54 2.214 9.526 -7.970 1.00 0.00 H new ATOM 0 HB THR A 54 3.334 7.840 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.774 8.330 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.457 9.682 -5.122 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.256 10.048 -6.851 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.178 10.800 -5.651 1.00 0.00 H new ATOM 875 N TYR A 55 1.657 7.239 -8.808 1.00 0.00 N ATOM 876 CA TYR A 55 1.210 5.983 -9.398 1.00 0.00 C ATOM 877 C TYR A 55 2.383 5.217 -10.003 1.00 0.00 C ATOM 878 O TYR A 55 3.463 5.772 -10.203 1.00 0.00 O ATOM 879 CB TYR A 55 0.152 6.247 -10.471 1.00 0.00 C ATOM 880 CG TYR A 55 0.681 7.002 -11.669 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.250 6.330 -12.744 1.00 0.00 C ATOM 882 CD2 TYR A 55 0.609 8.389 -11.728 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.735 7.017 -13.840 1.00 0.00 C ATOM 884 CE2 TYR A 55 1.090 9.084 -12.821 1.00 0.00 C ATOM 885 CZ TYR A 55 1.652 8.393 -13.874 1.00 0.00 C ATOM 886 OH TYR A 55 2.133 9.080 -14.965 1.00 0.00 O ATOM 0 H TYR A 55 2.356 7.738 -9.358 1.00 0.00 H new ATOM 0 HA TYR A 55 0.772 5.375 -8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.260 5.295 -10.805 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.669 6.812 -10.029 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.314 5.252 -12.722 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.169 8.933 -10.905 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.177 6.479 -14.666 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.026 10.162 -12.851 1.00 0.00 H new ATOM 0 HH TYR A 55 1.998 10.041 -14.832 1.00 0.00 H new ATOM 896 N GLU A 56 2.161 3.938 -10.291 1.00 0.00 N ATOM 897 CA GLU A 56 3.199 3.096 -10.872 1.00 0.00 C ATOM 898 C GLU A 56 3.026 2.984 -12.385 1.00 0.00 C ATOM 899 O GLU A 56 1.905 2.955 -12.891 1.00 0.00 O ATOM 900 CB GLU A 56 3.170 1.702 -10.241 1.00 0.00 C ATOM 901 CG GLU A 56 3.431 1.707 -8.744 1.00 0.00 C ATOM 902 CD GLU A 56 3.056 0.395 -8.082 1.00 0.00 C ATOM 903 OE1 GLU A 56 2.252 -0.358 -8.672 1.00 0.00 O ATOM 904 OE2 GLU A 56 3.566 0.121 -6.976 1.00 0.00 O ATOM 0 H GLU A 56 1.272 3.463 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 56 4.164 3.560 -10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.198 1.247 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.916 1.075 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.486 1.912 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.866 2.517 -8.283 1.00 0.00 H new ATOM 911 N ARG A 57 4.145 2.922 -13.099 1.00 0.00 N ATOM 912 CA ARG A 57 4.118 2.816 -14.553 1.00 0.00 C ATOM 913 C ARG A 57 5.160 1.815 -15.044 1.00 0.00 C ATOM 914 O ARG A 57 6.227 1.674 -14.449 1.00 0.00 O ATOM 915 CB ARG A 57 4.369 4.184 -15.191 1.00 0.00 C ATOM 916 CG ARG A 57 5.649 4.852 -14.715 1.00 0.00 C ATOM 917 CD ARG A 57 5.735 6.293 -15.192 1.00 0.00 C ATOM 918 NE ARG A 57 6.187 6.386 -16.578 1.00 0.00 N ATOM 919 CZ ARG A 57 6.278 7.530 -17.246 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.952 8.673 -16.658 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.697 7.533 -18.505 1.00 0.00 N ATOM 0 H ARG A 57 5.081 2.943 -12.695 1.00 0.00 H new ATOM 0 HA ARG A 57 3.130 2.461 -14.848 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.411 4.068 -16.274 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.525 4.838 -14.972 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.692 4.825 -13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.510 4.294 -15.082 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.757 6.765 -15.097 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.420 6.847 -14.550 1.00 0.00 H new ATOM 0 HE ARG A 57 6.447 5.525 -17.059 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.630 8.675 -15.690 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.023 9.550 -17.174 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.950 6.656 -18.961 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.767 8.412 -19.017 1.00 0.00 H new ATOM 935 N GLN A 58 4.840 1.123 -16.134 1.00 0.00 N ATOM 936 CA GLN A 58 5.748 0.135 -16.703 1.00 0.00 C ATOM 937 C GLN A 58 6.611 0.755 -17.798 1.00 0.00 C ATOM 938 O GLN A 58 6.147 1.597 -18.565 1.00 0.00 O ATOM 939 CB GLN A 58 4.959 -1.048 -17.268 1.00 0.00 C ATOM 940 CG GLN A 58 4.772 -2.184 -16.276 1.00 0.00 C ATOM 941 CD GLN A 58 3.503 -2.974 -16.526 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.422 -2.595 -16.072 1.00 0.00 O ATOM 943 NE2 GLN A 58 3.626 -4.079 -17.252 1.00 0.00 N ATOM 0 H GLN A 58 3.960 1.229 -16.639 1.00 0.00 H new ATOM 0 HA GLN A 58 6.403 -0.220 -15.907 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.980 -0.698 -17.595 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.473 -1.428 -18.151 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.630 -2.854 -16.331 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.749 -1.778 -15.265 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.541 -4.356 -17.608 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.806 -4.651 -17.453 1.00 0.00 H new ATOM 952 N GLY A 59 7.870 0.333 -17.863 1.00 0.00 N ATOM 953 CA GLY A 59 8.778 0.858 -18.866 1.00 0.00 C ATOM 954 C GLY A 59 9.968 -0.050 -19.103 1.00 0.00 C ATOM 955 O GLY A 59 10.154 -1.040 -18.394 1.00 0.00 O ATOM 0 H GLY A 59 8.277 -0.363 -17.239 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.239 0.997 -19.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.131 1.841 -18.553 1.00 0.00 H new ATOM 959 N PHE A 60 10.776 0.285 -20.104 1.00 0.00 N ATOM 960 CA PHE A 60 11.953 -0.510 -20.434 1.00 0.00 C ATOM 961 C PHE A 60 13.233 0.244 -20.085 1.00 0.00 C ATOM 962 O PHE A 60 13.262 1.475 -20.085 1.00 0.00 O ATOM 963 CB PHE A 60 11.950 -0.871 -21.921 1.00 0.00 C ATOM 964 CG PHE A 60 11.059 -2.034 -22.253 1.00 0.00 C ATOM 965 CD1 PHE A 60 11.338 -3.299 -21.762 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.943 -1.862 -23.056 1.00 0.00 C ATOM 967 CE1 PHE A 60 10.521 -4.372 -22.067 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.122 -2.931 -23.364 1.00 0.00 C ATOM 969 CZ PHE A 60 9.411 -4.187 -22.868 1.00 0.00 C ATOM 0 H PHE A 60 10.637 1.101 -20.700 1.00 0.00 H new ATOM 0 HA PHE A 60 11.919 -1.426 -19.845 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.630 -0.003 -22.497 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.968 -1.103 -22.233 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.204 -3.449 -21.134 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.712 -0.882 -23.446 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.750 -5.354 -21.679 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.256 -2.784 -23.992 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.770 -5.023 -23.106 1.00 0.00 H new ATOM 979 N VAL A 61 14.291 -0.504 -19.788 1.00 0.00 N ATOM 980 CA VAL A 61 15.575 0.092 -19.437 1.00 0.00 C ATOM 981 C VAL A 61 16.732 -0.738 -19.980 1.00 0.00 C ATOM 982 O VAL A 61 16.621 -1.948 -20.180 1.00 0.00 O ATOM 983 CB VAL A 61 15.730 0.235 -17.912 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.743 1.257 -17.368 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.544 -1.113 -17.230 1.00 0.00 C ATOM 0 H VAL A 61 14.284 -1.524 -19.783 1.00 0.00 H new ATOM 0 HA VAL A 61 15.599 1.083 -19.890 1.00 0.00 H new ATOM 0 HB VAL A 61 16.738 0.590 -17.698 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.868 1.344 -16.289 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.927 2.225 -17.834 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.726 0.935 -17.591 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.657 -0.994 -16.152 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.548 -1.498 -17.450 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.294 -1.814 -17.598 1.00 0.00 H new ATOM 995 N PRO A 62 17.873 -0.075 -20.223 1.00 0.00 N ATOM 996 CA PRO A 62 19.075 -0.733 -20.745 1.00 0.00 C ATOM 997 C PRO A 62 19.718 -1.661 -19.720 1.00 0.00 C ATOM 998 O PRO A 62 20.197 -1.215 -18.679 1.00 0.00 O ATOM 999 CB PRO A 62 20.008 0.437 -21.066 1.00 0.00 C ATOM 1000 CG PRO A 62 19.563 1.536 -20.164 1.00 0.00 C ATOM 1001 CD PRO A 62 18.077 1.367 -20.007 1.00 0.00 C ATOM 0 HA PRO A 62 18.853 -1.367 -21.603 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.050 0.174 -20.884 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.931 0.729 -22.113 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.067 1.477 -19.199 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.802 2.511 -20.589 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.740 1.677 -19.018 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.526 1.964 -20.733 1.00 0.00 H new ATOM 1009 N ALA A 63 19.726 -2.955 -20.024 1.00 0.00 N ATOM 1010 CA ALA A 63 20.313 -3.946 -19.131 1.00 0.00 C ATOM 1011 C ALA A 63 21.813 -3.720 -18.970 1.00 0.00 C ATOM 1012 O ALA A 63 22.443 -4.285 -18.077 1.00 0.00 O ATOM 1013 CB ALA A 63 20.042 -5.350 -19.649 1.00 0.00 C ATOM 0 H ALA A 63 19.332 -3.341 -20.882 1.00 0.00 H new ATOM 0 HA ALA A 63 19.848 -3.836 -18.151 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.486 -6.080 -18.972 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.966 -5.516 -19.706 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.479 -5.462 -20.641 1.00 0.00 H new ATOM 1019 N ALA A 64 22.378 -2.891 -19.841 1.00 0.00 N ATOM 1020 CA ALA A 64 23.804 -2.589 -19.794 1.00 0.00 C ATOM 1021 C ALA A 64 24.112 -1.558 -18.714 1.00 0.00 C ATOM 1022 O ALA A 64 25.249 -1.445 -18.256 1.00 0.00 O ATOM 1023 CB ALA A 64 24.283 -2.096 -21.151 1.00 0.00 C ATOM 0 H ALA A 64 21.871 -2.416 -20.588 1.00 0.00 H new ATOM 0 HA ALA A 64 24.337 -3.506 -19.544 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.349 -1.874 -21.102 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.107 -2.867 -21.901 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.737 -1.193 -21.424 1.00 0.00 H new ATOM 1029 N TYR A 65 23.093 -0.806 -18.313 1.00 0.00 N ATOM 1030 CA TYR A 65 23.256 0.219 -17.289 1.00 0.00 C ATOM 1031 C TYR A 65 22.616 -0.218 -15.974 1.00 0.00 C ATOM 1032 O TYR A 65 22.996 0.248 -14.900 1.00 0.00 O ATOM 1033 CB TYR A 65 22.639 1.538 -17.755 1.00 0.00 C ATOM 1034 CG TYR A 65 23.247 2.073 -19.032 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.554 1.762 -19.386 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.513 2.888 -19.886 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.113 2.249 -20.552 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.064 3.378 -21.054 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.365 3.056 -21.382 1.00 0.00 C ATOM 1040 OH TYR A 65 24.918 3.542 -22.545 1.00 0.00 O ATOM 0 H TYR A 65 22.145 -0.887 -18.682 1.00 0.00 H new ATOM 0 HA TYR A 65 24.323 0.364 -17.123 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.569 1.396 -17.904 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.756 2.282 -16.967 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.143 1.129 -18.739 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.495 3.142 -19.632 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.131 1.999 -20.812 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.480 4.010 -21.707 1.00 0.00 H new ATOM 0 HH TYR A 65 24.258 4.093 -23.016 1.00 0.00 H new ATOM 1050 N VAL A 66 21.641 -1.117 -16.068 1.00 0.00 N ATOM 1051 CA VAL A 66 20.949 -1.620 -14.887 1.00 0.00 C ATOM 1052 C VAL A 66 21.217 -3.106 -14.684 1.00 0.00 C ATOM 1053 O VAL A 66 21.266 -3.877 -15.643 1.00 0.00 O ATOM 1054 CB VAL A 66 19.429 -1.393 -14.989 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.127 0.060 -15.324 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.820 -2.325 -16.026 1.00 0.00 C ATOM 0 H VAL A 66 21.313 -1.512 -16.949 1.00 0.00 H new ATOM 0 HA VAL A 66 21.336 -1.064 -14.033 1.00 0.00 H new ATOM 0 HB VAL A 66 18.980 -1.619 -14.022 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.048 0.201 -15.392 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.529 0.705 -14.542 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.587 0.317 -16.278 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.746 -2.151 -16.085 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.273 -2.133 -16.999 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.005 -3.360 -15.738 1.00 0.00 H new ATOM 1066 N LYS A 67 21.390 -3.504 -13.428 1.00 0.00 N ATOM 1067 CA LYS A 67 21.652 -4.900 -13.096 1.00 0.00 C ATOM 1068 C LYS A 67 20.706 -5.386 -12.003 1.00 0.00 C ATOM 1069 O LYS A 67 20.345 -4.632 -11.099 1.00 0.00 O ATOM 1070 CB LYS A 67 23.104 -5.074 -12.643 1.00 0.00 C ATOM 1071 CG LYS A 67 23.355 -4.618 -11.216 1.00 0.00 C ATOM 1072 CD LYS A 67 24.841 -4.514 -10.917 1.00 0.00 C ATOM 1073 CE LYS A 67 25.463 -5.885 -10.700 1.00 0.00 C ATOM 1074 NZ LYS A 67 26.879 -5.787 -10.249 1.00 0.00 N ATOM 0 H LYS A 67 21.353 -2.879 -12.623 1.00 0.00 H new ATOM 0 HA LYS A 67 21.483 -5.498 -13.991 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.381 -6.124 -12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.755 -4.514 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.882 -3.650 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.892 -5.319 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.345 -4.011 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 67 24.993 -3.900 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.883 -6.434 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.416 -6.456 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 27.267 -6.742 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 27.439 -5.286 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 26.922 -5.264 -9.351 1.00 0.00 H new ATOM 1088 N LYS A 68 20.308 -6.651 -12.091 1.00 0.00 N ATOM 1089 CA LYS A 68 19.406 -7.239 -11.108 1.00 0.00 C ATOM 1090 C LYS A 68 20.153 -7.590 -9.825 1.00 0.00 C ATOM 1091 O LYS A 68 21.290 -8.062 -9.866 1.00 0.00 O ATOM 1092 CB LYS A 68 18.741 -8.492 -11.682 1.00 0.00 C ATOM 1093 CG LYS A 68 17.602 -8.191 -12.640 1.00 0.00 C ATOM 1094 CD LYS A 68 17.114 -9.449 -13.339 1.00 0.00 C ATOM 1095 CE LYS A 68 17.919 -9.735 -14.598 1.00 0.00 C ATOM 1096 NZ LYS A 68 17.786 -11.154 -15.031 1.00 0.00 N ATOM 0 H LYS A 68 20.596 -7.289 -12.833 1.00 0.00 H new ATOM 0 HA LYS A 68 18.638 -6.503 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.493 -9.087 -12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.363 -9.101 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.777 -7.734 -12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.933 -7.466 -13.383 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.188 -10.297 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.061 -9.338 -13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.584 -9.078 -15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.969 -9.507 -14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.349 -11.309 -15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.129 -11.781 -14.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.787 -11.364 -15.229 1.00 0.00 H new ATOM 1110 N LEU A 69 19.507 -7.357 -8.688 1.00 0.00 N ATOM 1111 CA LEU A 69 20.109 -7.651 -7.392 1.00 0.00 C ATOM 1112 C LEU A 69 19.750 -9.059 -6.930 1.00 0.00 C ATOM 1113 O LEU A 69 19.395 -9.272 -5.771 1.00 0.00 O ATOM 1114 CB LEU A 69 19.651 -6.628 -6.351 1.00 0.00 C ATOM 1115 CG LEU A 69 20.408 -5.300 -6.336 1.00 0.00 C ATOM 1116 CD1 LEU A 69 20.320 -4.620 -7.693 1.00 0.00 C ATOM 1117 CD2 LEU A 69 19.865 -4.388 -5.245 1.00 0.00 C ATOM 0 H LEU A 69 18.567 -6.965 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 69 21.192 -7.590 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.594 -6.419 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 69 19.735 -7.082 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 69 21.457 -5.505 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 69 20.865 -3.676 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.757 -5.267 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.275 -4.428 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 69 20.416 -3.447 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.809 -4.191 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.981 -4.872 -4.275 1.00 0.00 H new ATOM 1129 N ASP A 70 19.847 -10.018 -7.844 1.00 0.00 N ATOM 1130 CA ASP A 70 19.535 -11.408 -7.530 1.00 0.00 C ATOM 1131 C ASP A 70 20.748 -12.115 -6.933 1.00 0.00 C ATOM 1132 O ASP A 70 21.882 -11.659 -7.085 1.00 0.00 O ATOM 1133 CB ASP A 70 19.068 -12.144 -8.787 1.00 0.00 C ATOM 1134 CG ASP A 70 18.478 -13.506 -8.474 1.00 0.00 C ATOM 1135 OD1 ASP A 70 17.311 -13.560 -8.034 1.00 0.00 O ATOM 1136 OD2 ASP A 70 19.184 -14.517 -8.671 1.00 0.00 O ATOM 0 H ASP A 70 20.139 -9.859 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 70 18.732 -11.417 -6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 70 18.323 -11.539 -9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 70 19.910 -12.264 -9.469 1.00 0.00 H new TER 1141 ASP A 70