USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 64 SER OG : rot 180:sc= 0.971 USER MOD Set 1.2: A 67 SER OG : rot 159:sc= 0.72 USER MOD Set 2.1: A 13 GLN : amide:sc= 1.96 K(o=3.8,f=0.48) USER MOD Set 2.2: A 36 ASN : amide:sc= 1.82 K(o=3.8,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0483 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.12 K(o=1.1,f=-0.084) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 1.01 K(o=1,f=-1.9) USER MOD Single : A 23 MET CE :methyl -176:sc= 0 (180deg=-0.0229) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.0143 X(o=0.014,f=0) USER MOD Single : A 55 SER OG : rot 86:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.15) USER MOD Single : A 62 ASN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.835) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0286 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -3:sc= 0.981 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : +bothHN:sc= 0.77 K(o=0.77,f=-5.6!) USER MOD Single : A 84 HIS : no HE2:sc= 0.558 K(o=0.56,f=-2.6!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.770 -13.027 -0.355 1.00 0.00 N ATOM 2 CA MET A 1 -5.672 -13.120 0.640 1.00 0.00 C ATOM 3 C MET A 1 -6.249 -13.489 2.009 1.00 0.00 C ATOM 4 O MET A 1 -7.351 -13.057 2.351 1.00 0.00 O ATOM 5 CB MET A 1 -4.879 -11.803 0.723 1.00 0.00 C ATOM 6 CG MET A 1 -3.515 -11.961 1.385 1.00 0.00 C ATOM 7 SD MET A 1 -2.340 -12.959 0.438 1.00 0.00 S ATOM 8 CE MET A 1 -0.853 -12.528 1.370 1.00 0.00 C ATOM 0 H1 MET A 1 -6.654 -12.162 -0.920 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.742 -13.857 -0.982 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.685 -12.997 0.139 1.00 0.00 H new ATOM 0 HA MET A 1 -4.980 -13.899 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.743 -11.405 -0.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.463 -11.070 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.086 -10.972 1.547 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.651 -12.415 2.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.006 -13.046 0.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.690 -11.451 1.318 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.977 -12.826 2.411 1.00 0.00 H new ATOM 20 N LEU A 2 -5.531 -14.297 2.791 1.00 0.00 N ATOM 21 CA LEU A 2 -6.008 -14.875 4.049 1.00 0.00 C ATOM 22 C LEU A 2 -4.808 -15.162 4.967 1.00 0.00 C ATOM 23 O LEU A 2 -3.666 -15.186 4.492 1.00 0.00 O ATOM 24 CB LEU A 2 -6.775 -16.168 3.694 1.00 0.00 C ATOM 25 CG LEU A 2 -7.647 -16.778 4.808 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.820 -15.866 5.188 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.197 -18.120 4.318 1.00 0.00 C ATOM 0 H LEU A 2 -4.577 -14.575 2.561 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.669 -14.193 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.414 -15.961 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.050 -16.919 3.378 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.025 -16.905 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.407 -16.337 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.437 -14.909 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.451 -15.702 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.817 -18.565 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.797 -17.962 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.369 -18.790 4.087 1.00 0.00 H new ATOM 39 N GLN A 3 -5.065 -15.397 6.258 1.00 0.00 N ATOM 40 CA GLN A 3 -4.099 -15.864 7.246 1.00 0.00 C ATOM 41 C GLN A 3 -4.578 -17.226 7.758 1.00 0.00 C ATOM 42 O GLN A 3 -5.763 -17.398 8.060 1.00 0.00 O ATOM 43 CB GLN A 3 -4.010 -14.858 8.414 1.00 0.00 C ATOM 44 CG GLN A 3 -2.936 -15.214 9.459 1.00 0.00 C ATOM 45 CD GLN A 3 -2.968 -14.267 10.660 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.546 -14.581 11.696 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.364 -13.096 10.563 1.00 0.00 N ATOM 0 H GLN A 3 -5.994 -15.259 6.656 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.109 -15.953 6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.799 -13.867 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.980 -14.802 8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.088 -16.238 9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.951 -15.176 8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.885 -12.839 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.377 -12.449 11.351 1.00 0.00 H new ATOM 56 N TYR A 4 -3.650 -18.164 7.922 1.00 0.00 N ATOM 57 CA TYR A 4 -3.827 -19.393 8.686 1.00 0.00 C ATOM 58 C TYR A 4 -2.881 -19.325 9.885 1.00 0.00 C ATOM 59 O TYR A 4 -1.817 -18.701 9.821 1.00 0.00 O ATOM 60 CB TYR A 4 -3.466 -20.629 7.837 1.00 0.00 C ATOM 61 CG TYR A 4 -4.553 -21.286 6.997 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.664 -20.573 6.501 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.432 -22.659 6.703 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.655 -21.232 5.752 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.414 -23.322 5.945 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.544 -22.613 5.482 1.00 0.00 C ATOM 67 OH TYR A 4 -7.521 -23.270 4.800 1.00 0.00 O ATOM 0 H TYR A 4 -2.720 -18.085 7.511 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.868 -19.485 8.996 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.657 -20.342 7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.067 -21.387 8.511 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.754 -19.515 6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.575 -23.209 7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.505 -20.679 5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.304 -24.372 5.717 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.276 -24.214 4.705 1.00 0.00 H new ATOM 77 N ARG A 5 -3.219 -20.056 10.944 1.00 0.00 N ATOM 78 CA ARG A 5 -2.305 -20.422 12.020 1.00 0.00 C ATOM 79 C ARG A 5 -2.414 -21.933 12.160 1.00 0.00 C ATOM 80 O ARG A 5 -3.512 -22.471 12.028 1.00 0.00 O ATOM 81 CB ARG A 5 -2.671 -19.676 13.316 1.00 0.00 C ATOM 82 CG ARG A 5 -1.589 -19.798 14.408 1.00 0.00 C ATOM 83 CD ARG A 5 -2.060 -19.239 15.757 1.00 0.00 C ATOM 84 NE ARG A 5 -2.360 -17.796 15.686 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.579 -16.782 16.091 1.00 0.00 C ATOM 86 NH1 ARG A 5 -0.410 -16.992 16.692 1.00 0.00 N ATOM 87 NH2 ARG A 5 -1.983 -15.533 15.883 1.00 0.00 N ATOM 0 H ARG A 5 -4.162 -20.420 11.080 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.275 -20.138 11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.833 -18.622 13.089 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.613 -20.067 13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.313 -20.846 14.528 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.692 -19.266 14.090 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.950 -19.778 16.081 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.290 -19.412 16.509 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.262 -17.540 15.284 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.085 -17.945 16.856 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.161 -16.200 16.988 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.875 -15.356 15.421 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.401 -14.752 16.185 1.00 0.00 H new ATOM 101 N ILE A 6 -1.304 -22.619 12.400 1.00 0.00 N ATOM 102 CA ILE A 6 -1.242 -24.067 12.520 1.00 0.00 C ATOM 103 C ILE A 6 -0.481 -24.351 13.813 1.00 0.00 C ATOM 104 O ILE A 6 0.472 -23.640 14.137 1.00 0.00 O ATOM 105 CB ILE A 6 -0.557 -24.708 11.285 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.156 -24.276 9.924 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.613 -26.247 11.358 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.531 -23.030 9.284 1.00 0.00 C ATOM 0 H ILE A 6 -0.397 -22.169 12.520 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.239 -24.507 12.556 1.00 0.00 H new ATOM 0 HB ILE A 6 0.470 -24.345 11.327 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.059 -25.107 9.226 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.223 -24.096 10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.126 -26.671 10.480 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.100 -26.587 12.257 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.653 -26.572 11.388 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.027 -22.820 8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.651 -22.178 9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.530 -23.205 9.107 1.00 0.00 H new ATOM 120 N ILE A 7 -0.883 -25.396 14.528 1.00 0.00 N ATOM 121 CA ILE A 7 -0.252 -25.869 15.752 1.00 0.00 C ATOM 122 C ILE A 7 -0.027 -27.368 15.529 1.00 0.00 C ATOM 123 O ILE A 7 -0.903 -28.036 14.973 1.00 0.00 O ATOM 124 CB ILE A 7 -1.160 -25.568 16.972 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.594 -24.084 17.101 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.493 -26.032 18.277 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.467 -23.085 17.397 1.00 0.00 C ATOM 0 H ILE A 7 -1.690 -25.959 14.259 1.00 0.00 H new ATOM 0 HA ILE A 7 0.693 -25.371 15.968 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.073 -26.136 16.793 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.085 -23.786 16.174 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.338 -24.010 17.894 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.148 -25.810 19.119 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.311 -27.106 18.231 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.454 -25.509 18.407 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.881 -22.079 17.467 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.012 -23.346 18.340 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.270 -23.119 16.594 1.00 0.00 H new ATOM 139 N VAL A 8 1.138 -27.895 15.913 1.00 0.00 N ATOM 140 CA VAL A 8 1.552 -29.263 15.593 1.00 0.00 C ATOM 141 C VAL A 8 2.178 -29.884 16.844 1.00 0.00 C ATOM 142 O VAL A 8 2.838 -29.176 17.605 1.00 0.00 O ATOM 143 CB VAL A 8 2.549 -29.255 14.404 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.642 -30.644 13.766 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.211 -28.258 13.278 1.00 0.00 C ATOM 0 H VAL A 8 1.827 -27.379 16.460 1.00 0.00 H new ATOM 0 HA VAL A 8 0.691 -29.860 15.291 1.00 0.00 H new ATOM 0 HB VAL A 8 3.492 -28.943 14.852 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.346 -30.616 12.935 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.986 -31.363 14.509 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.660 -30.943 13.400 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.964 -28.326 12.493 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.232 -28.496 12.863 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.197 -27.245 13.681 1.00 0.00 H new ATOM 155 N ASP A 9 2.019 -31.193 17.054 1.00 0.00 N ATOM 156 CA ASP A 9 2.581 -31.931 18.186 1.00 0.00 C ATOM 157 C ASP A 9 3.031 -33.324 17.733 1.00 0.00 C ATOM 158 O ASP A 9 2.541 -33.835 16.724 1.00 0.00 O ATOM 159 CB ASP A 9 1.532 -32.066 19.297 1.00 0.00 C ATOM 160 CG ASP A 9 2.098 -32.729 20.565 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.272 -32.480 20.917 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.358 -33.493 21.225 1.00 0.00 O ATOM 0 H ASP A 9 1.480 -31.785 16.422 1.00 0.00 H new ATOM 0 HA ASP A 9 3.442 -31.383 18.569 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.145 -31.079 19.549 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.691 -32.653 18.929 1.00 0.00 H new ATOM 167 N GLY A 10 3.964 -33.932 18.468 1.00 0.00 N ATOM 168 CA GLY A 10 4.538 -35.245 18.192 1.00 0.00 C ATOM 169 C GLY A 10 6.039 -35.229 18.467 1.00 0.00 C ATOM 170 O GLY A 10 6.532 -34.375 19.211 1.00 0.00 O ATOM 0 H GLY A 10 4.355 -33.503 19.307 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.055 -36.000 18.813 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.353 -35.520 17.154 1.00 0.00 H new ATOM 174 N ARG A 11 6.792 -36.130 17.830 1.00 0.00 N ATOM 175 CA ARG A 11 8.233 -35.949 17.648 1.00 0.00 C ATOM 176 C ARG A 11 8.400 -34.887 16.566 1.00 0.00 C ATOM 177 O ARG A 11 8.561 -35.209 15.388 1.00 0.00 O ATOM 178 CB ARG A 11 8.926 -37.288 17.325 1.00 0.00 C ATOM 179 CG ARG A 11 10.437 -37.190 17.013 1.00 0.00 C ATOM 180 CD ARG A 11 11.269 -36.289 17.943 1.00 0.00 C ATOM 181 NE ARG A 11 11.159 -36.682 19.359 1.00 0.00 N ATOM 182 CZ ARG A 11 11.610 -35.978 20.407 1.00 0.00 C ATOM 183 NH1 ARG A 11 12.202 -34.796 20.245 1.00 0.00 N ATOM 184 NH2 ARG A 11 11.461 -36.469 21.633 1.00 0.00 N ATOM 0 H ARG A 11 6.425 -36.994 17.431 1.00 0.00 H new ATOM 0 HA ARG A 11 8.722 -35.609 18.561 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.789 -37.963 18.170 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.424 -37.742 16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.858 -38.195 17.044 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.552 -36.827 15.992 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.315 -36.327 17.639 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.942 -35.255 17.830 1.00 0.00 H new ATOM 0 HE ARG A 11 10.698 -37.570 19.560 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.320 -34.409 19.309 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.537 -34.278 21.057 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.008 -37.372 21.769 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.800 -35.942 22.438 1.00 0.00 H new ATOM 198 N VAL A 12 8.302 -33.624 16.971 1.00 0.00 N ATOM 199 CA VAL A 12 8.314 -32.460 16.088 1.00 0.00 C ATOM 200 C VAL A 12 9.277 -31.389 16.633 1.00 0.00 C ATOM 201 O VAL A 12 9.137 -30.209 16.320 1.00 0.00 O ATOM 202 CB VAL A 12 6.869 -31.948 15.868 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.976 -33.021 15.225 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.190 -31.464 17.161 1.00 0.00 C ATOM 0 H VAL A 12 8.209 -33.374 17.955 1.00 0.00 H new ATOM 0 HA VAL A 12 8.695 -32.736 15.105 1.00 0.00 H new ATOM 0 HB VAL A 12 6.975 -31.097 15.196 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.971 -32.623 15.087 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.389 -33.306 14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.934 -33.896 15.874 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.181 -31.119 16.935 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.141 -32.285 17.876 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.766 -30.644 17.590 1.00 0.00 H new ATOM 214 N GLN A 13 10.239 -31.791 17.473 1.00 0.00 N ATOM 215 CA GLN A 13 11.287 -30.926 18.004 1.00 0.00 C ATOM 216 C GLN A 13 12.605 -31.691 17.968 1.00 0.00 C ATOM 217 O GLN A 13 12.607 -32.916 18.156 1.00 0.00 O ATOM 218 CB GLN A 13 11.001 -30.518 19.458 1.00 0.00 C ATOM 219 CG GLN A 13 9.600 -29.951 19.702 1.00 0.00 C ATOM 220 CD GLN A 13 9.554 -29.086 20.963 1.00 0.00 C ATOM 221 OE1 GLN A 13 9.983 -29.491 22.042 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.054 -27.869 20.846 1.00 0.00 N ATOM 0 H GLN A 13 10.307 -32.752 17.807 1.00 0.00 H new ATOM 0 HA GLN A 13 11.330 -30.023 17.396 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.142 -31.388 20.099 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.737 -29.774 19.763 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.292 -29.357 18.841 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.887 -30.770 19.796 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.702 -27.547 19.945 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.020 -27.251 21.657 1.00 0.00 H new ATOM 231 N GLY A 14 13.714 -30.976 17.806 1.00 0.00 N ATOM 232 CA GLY A 14 15.045 -31.553 17.758 1.00 0.00 C ATOM 233 C GLY A 14 15.242 -32.410 16.507 1.00 0.00 C ATOM 234 O GLY A 14 15.994 -33.386 16.560 1.00 0.00 O ATOM 0 H GLY A 14 13.708 -29.961 17.703 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.788 -30.756 17.775 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.211 -32.162 18.647 1.00 0.00 H new ATOM 238 N VAL A 15 14.559 -32.087 15.407 1.00 0.00 N ATOM 239 CA VAL A 15 14.509 -32.906 14.195 1.00 0.00 C ATOM 240 C VAL A 15 14.652 -32.058 12.923 1.00 0.00 C ATOM 241 O VAL A 15 14.885 -32.615 11.847 1.00 0.00 O ATOM 242 CB VAL A 15 13.228 -33.775 14.182 1.00 0.00 C ATOM 243 CG1 VAL A 15 13.308 -34.915 15.208 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.937 -32.977 14.427 1.00 0.00 C ATOM 0 H VAL A 15 14.013 -31.229 15.333 1.00 0.00 H new ATOM 0 HA VAL A 15 15.366 -33.580 14.206 1.00 0.00 H new ATOM 0 HB VAL A 15 13.180 -34.183 13.173 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.391 -35.504 15.170 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.160 -35.554 14.976 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.430 -34.497 16.207 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.082 -33.652 14.404 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.989 -32.491 15.401 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.824 -32.221 13.650 1.00 0.00 H new ATOM 254 N GLY A 16 14.580 -30.731 13.024 1.00 0.00 N ATOM 255 CA GLY A 16 14.647 -29.806 11.912 1.00 0.00 C ATOM 256 C GLY A 16 13.244 -29.385 11.491 1.00 0.00 C ATOM 257 O GLY A 16 13.058 -29.037 10.324 1.00 0.00 O ATOM 0 H GLY A 16 14.469 -30.260 13.922 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.228 -28.928 12.194 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.162 -30.273 11.072 1.00 0.00 H new ATOM 261 N PHE A 17 12.240 -29.468 12.370 1.00 0.00 N ATOM 262 CA PHE A 17 10.858 -29.203 11.990 1.00 0.00 C ATOM 263 C PHE A 17 10.691 -27.744 11.562 1.00 0.00 C ATOM 264 O PHE A 17 10.018 -27.479 10.564 1.00 0.00 O ATOM 265 CB PHE A 17 9.880 -29.598 13.102 1.00 0.00 C ATOM 266 CG PHE A 17 8.537 -30.071 12.571 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.562 -29.142 12.159 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.268 -31.448 12.468 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.318 -29.587 11.674 1.00 0.00 C ATOM 270 CE2 PHE A 17 7.025 -31.895 11.983 1.00 0.00 C ATOM 271 CZ PHE A 17 6.047 -30.965 11.590 1.00 0.00 C ATOM 0 H PHE A 17 12.364 -29.718 13.351 1.00 0.00 H new ATOM 0 HA PHE A 17 10.614 -29.828 11.131 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.325 -30.389 13.706 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.724 -28.744 13.761 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.770 -28.084 12.215 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.019 -32.166 12.763 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.571 -28.870 11.366 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.822 -32.953 11.913 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.090 -31.307 11.225 1.00 0.00 H new ATOM 281 N ARG A 18 11.349 -26.794 12.240 1.00 0.00 N ATOM 282 CA ARG A 18 11.379 -25.400 11.788 1.00 0.00 C ATOM 283 C ARG A 18 11.901 -25.288 10.357 1.00 0.00 C ATOM 284 O ARG A 18 11.280 -24.611 9.541 1.00 0.00 O ATOM 285 CB ARG A 18 12.234 -24.560 12.748 1.00 0.00 C ATOM 286 CG ARG A 18 11.424 -24.123 13.976 1.00 0.00 C ATOM 287 CD ARG A 18 12.321 -23.595 15.101 1.00 0.00 C ATOM 288 NE ARG A 18 12.913 -24.686 15.889 1.00 0.00 N ATOM 289 CZ ARG A 18 13.530 -24.550 17.065 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.745 -23.338 17.582 1.00 0.00 N ATOM 291 NH2 ARG A 18 13.909 -25.624 17.738 1.00 0.00 N ATOM 0 H ARG A 18 11.866 -26.967 13.102 1.00 0.00 H new ATOM 0 HA ARG A 18 10.359 -25.016 11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.101 -25.138 13.068 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.612 -23.681 12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.715 -23.348 13.685 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.841 -24.967 14.344 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.116 -22.983 14.674 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.738 -22.949 15.757 1.00 0.00 H new ATOM 0 HE ARG A 18 12.847 -25.628 15.504 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.437 -22.507 17.078 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.217 -23.244 18.481 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.730 -26.553 17.358 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.381 -25.523 18.637 1.00 0.00 H new ATOM 305 N TYR A 19 13.013 -25.951 10.033 1.00 0.00 N ATOM 306 CA TYR A 19 13.610 -25.877 8.707 1.00 0.00 C ATOM 307 C TYR A 19 12.722 -26.550 7.660 1.00 0.00 C ATOM 308 O TYR A 19 12.575 -26.025 6.559 1.00 0.00 O ATOM 309 CB TYR A 19 15.008 -26.500 8.742 1.00 0.00 C ATOM 310 CG TYR A 19 16.030 -25.612 9.429 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.615 -24.545 8.720 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.366 -25.822 10.781 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.532 -23.687 9.355 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.281 -24.968 11.422 1.00 0.00 C ATOM 315 CZ TYR A 19 17.867 -23.894 10.714 1.00 0.00 C ATOM 316 OH TYR A 19 18.751 -23.073 11.347 1.00 0.00 O ATOM 0 H TYR A 19 13.520 -26.551 10.683 1.00 0.00 H new ATOM 0 HA TYR A 19 13.700 -24.830 8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.961 -27.459 9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.336 -26.703 7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.358 -24.384 7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.920 -26.641 11.326 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.979 -22.872 8.806 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.537 -25.133 12.458 1.00 0.00 H new ATOM 0 HH TYR A 19 18.860 -23.364 12.276 1.00 0.00 H new ATOM 326 N PHE A 20 12.094 -27.677 7.995 1.00 0.00 N ATOM 327 CA PHE A 20 11.114 -28.328 7.137 1.00 0.00 C ATOM 328 C PHE A 20 9.988 -27.351 6.794 1.00 0.00 C ATOM 329 O PHE A 20 9.749 -27.096 5.615 1.00 0.00 O ATOM 330 CB PHE A 20 10.610 -29.608 7.824 1.00 0.00 C ATOM 331 CG PHE A 20 9.268 -30.127 7.339 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.145 -30.695 6.057 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.136 -30.027 8.170 1.00 0.00 C ATOM 334 CE1 PHE A 20 7.893 -31.153 5.610 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.882 -30.468 7.716 1.00 0.00 C ATOM 336 CZ PHE A 20 6.760 -31.033 6.434 1.00 0.00 C ATOM 0 H PHE A 20 12.255 -28.164 8.876 1.00 0.00 H new ATOM 0 HA PHE A 20 11.569 -28.623 6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.355 -30.392 7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.542 -29.421 8.896 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.011 -30.779 5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.232 -29.609 9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.801 -31.598 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.013 -30.373 8.350 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.797 -31.374 6.083 1.00 0.00 H new ATOM 346 N VAL A 21 9.346 -26.745 7.796 1.00 0.00 N ATOM 347 CA VAL A 21 8.257 -25.801 7.567 1.00 0.00 C ATOM 348 C VAL A 21 8.755 -24.592 6.761 1.00 0.00 C ATOM 349 O VAL A 21 8.051 -24.146 5.855 1.00 0.00 O ATOM 350 CB VAL A 21 7.628 -25.410 8.918 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.569 -24.314 8.769 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.939 -26.610 9.590 1.00 0.00 C ATOM 0 H VAL A 21 9.567 -26.895 8.780 1.00 0.00 H new ATOM 0 HA VAL A 21 7.475 -26.266 6.966 1.00 0.00 H new ATOM 0 HB VAL A 21 8.457 -25.049 9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.155 -24.073 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.026 -23.423 8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.772 -24.665 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.507 -26.296 10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.150 -26.987 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.671 -27.398 9.767 1.00 0.00 H new ATOM 362 N GLN A 22 9.965 -24.090 7.034 1.00 0.00 N ATOM 363 CA GLN A 22 10.582 -22.998 6.288 1.00 0.00 C ATOM 364 C GLN A 22 10.655 -23.357 4.801 1.00 0.00 C ATOM 365 O GLN A 22 10.268 -22.546 3.961 1.00 0.00 O ATOM 366 CB GLN A 22 11.963 -22.690 6.894 1.00 0.00 C ATOM 367 CG GLN A 22 12.691 -21.519 6.220 1.00 0.00 C ATOM 368 CD GLN A 22 12.089 -20.143 6.499 1.00 0.00 C ATOM 369 OE1 GLN A 22 11.434 -19.908 7.508 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.300 -19.194 5.606 1.00 0.00 N ATOM 0 H GLN A 22 10.549 -24.440 7.793 1.00 0.00 H new ATOM 0 HA GLN A 22 9.979 -22.093 6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.842 -22.468 7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.587 -23.581 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.730 -21.518 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.697 -21.685 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.846 -19.395 4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.917 -18.260 5.754 1.00 0.00 H new ATOM 379 N MET A 23 11.123 -24.562 4.464 1.00 0.00 N ATOM 380 CA MET A 23 11.285 -24.963 3.070 1.00 0.00 C ATOM 381 C MET A 23 9.934 -25.256 2.411 1.00 0.00 C ATOM 382 O MET A 23 9.763 -24.945 1.234 1.00 0.00 O ATOM 383 CB MET A 23 12.204 -26.190 2.971 1.00 0.00 C ATOM 384 CG MET A 23 13.657 -25.846 3.326 1.00 0.00 C ATOM 385 SD MET A 23 14.833 -27.223 3.179 1.00 0.00 S ATOM 386 CE MET A 23 14.322 -28.257 4.580 1.00 0.00 C ATOM 0 H MET A 23 11.396 -25.275 5.140 1.00 0.00 H new ATOM 0 HA MET A 23 11.744 -24.132 2.535 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.842 -26.970 3.640 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.163 -26.594 1.959 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.990 -25.034 2.680 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.686 -25.472 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.996 -29.109 4.668 1.00 0.00 H new ATOM 0 HE2 MET A 23 14.357 -27.670 5.498 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.305 -28.614 4.417 1.00 0.00 H new ATOM 396 N GLU A 24 8.955 -25.810 3.134 1.00 0.00 N ATOM 397 CA GLU A 24 7.620 -26.007 2.587 1.00 0.00 C ATOM 398 C GLU A 24 6.978 -24.651 2.280 1.00 0.00 C ATOM 399 O GLU A 24 6.423 -24.473 1.196 1.00 0.00 O ATOM 400 CB GLU A 24 6.750 -26.830 3.553 1.00 0.00 C ATOM 401 CG GLU A 24 7.160 -28.307 3.688 1.00 0.00 C ATOM 402 CD GLU A 24 7.312 -29.035 2.340 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.411 -28.915 1.482 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.334 -29.724 2.122 1.00 0.00 O ATOM 0 H GLU A 24 9.067 -26.127 4.097 1.00 0.00 H new ATOM 0 HA GLU A 24 7.699 -26.570 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.786 -26.365 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.714 -26.784 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.104 -28.364 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.415 -28.828 4.290 1.00 0.00 H new ATOM 411 N ALA A 25 7.100 -23.675 3.184 1.00 0.00 N ATOM 412 CA ALA A 25 6.569 -22.334 2.976 1.00 0.00 C ATOM 413 C ALA A 25 7.275 -21.648 1.807 1.00 0.00 C ATOM 414 O ALA A 25 6.619 -20.967 1.019 1.00 0.00 O ATOM 415 CB ALA A 25 6.737 -21.503 4.247 1.00 0.00 C ATOM 0 H ALA A 25 7.571 -23.797 4.080 1.00 0.00 H new ATOM 0 HA ALA A 25 5.508 -22.416 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.338 -20.502 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.198 -21.979 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.795 -21.434 4.500 1.00 0.00 H new ATOM 421 N ASP A 26 8.590 -21.849 1.674 1.00 0.00 N ATOM 422 CA ASP A 26 9.383 -21.324 0.566 1.00 0.00 C ATOM 423 C ASP A 26 8.863 -21.869 -0.763 1.00 0.00 C ATOM 424 O ASP A 26 8.600 -21.104 -1.690 1.00 0.00 O ATOM 425 CB ASP A 26 10.863 -21.700 0.723 1.00 0.00 C ATOM 426 CG ASP A 26 11.693 -21.056 -0.398 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.964 -19.837 -0.330 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.094 -21.769 -1.345 1.00 0.00 O ATOM 0 H ASP A 26 9.138 -22.389 2.344 1.00 0.00 H new ATOM 0 HA ASP A 26 9.292 -20.238 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.230 -21.368 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.976 -22.784 0.693 1.00 0.00 H new ATOM 433 N LYS A 27 8.638 -23.186 -0.837 1.00 0.00 N ATOM 434 CA LYS A 27 8.088 -23.853 -2.015 1.00 0.00 C ATOM 435 C LYS A 27 6.693 -23.327 -2.340 1.00 0.00 C ATOM 436 O LYS A 27 6.385 -23.078 -3.506 1.00 0.00 O ATOM 437 CB LYS A 27 8.151 -25.375 -1.784 1.00 0.00 C ATOM 438 CG LYS A 27 7.501 -26.249 -2.876 1.00 0.00 C ATOM 439 CD LYS A 27 6.005 -26.569 -2.674 1.00 0.00 C ATOM 440 CE LYS A 27 5.683 -27.266 -1.338 1.00 0.00 C ATOM 441 NZ LYS A 27 6.314 -28.603 -1.216 1.00 0.00 N ATOM 0 H LYS A 27 8.837 -23.825 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 27 8.681 -23.630 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.197 -25.666 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.669 -25.599 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.620 -25.747 -3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.050 -27.189 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.435 -25.642 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.667 -27.204 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.019 -26.635 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.602 -27.370 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.105 -29.001 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.937 -29.233 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.344 -28.513 -1.332 1.00 0.00 H new ATOM 455 N ARG A 28 5.851 -23.122 -1.325 1.00 0.00 N ATOM 456 CA ARG A 28 4.512 -22.551 -1.480 1.00 0.00 C ATOM 457 C ARG A 28 4.548 -21.034 -1.731 1.00 0.00 C ATOM 458 O ARG A 28 3.489 -20.448 -1.955 1.00 0.00 O ATOM 459 CB ARG A 28 3.672 -22.889 -0.232 1.00 0.00 C ATOM 460 CG ARG A 28 3.388 -24.387 -0.013 1.00 0.00 C ATOM 461 CD ARG A 28 2.403 -24.989 -1.023 1.00 0.00 C ATOM 462 NE ARG A 28 2.104 -26.398 -0.687 1.00 0.00 N ATOM 463 CZ ARG A 28 2.015 -27.437 -1.531 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.275 -27.293 -2.825 1.00 0.00 N ATOM 465 NH2 ARG A 28 1.659 -28.626 -1.055 1.00 0.00 N ATOM 0 H ARG A 28 6.084 -23.351 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 28 4.050 -22.994 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.187 -22.502 0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.720 -22.362 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.328 -24.936 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.993 -24.528 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.481 -24.408 -1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.823 -24.931 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 28 1.947 -26.603 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.548 -26.381 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.202 -28.094 -3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.458 -28.738 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.587 -29.426 -1.683 1.00 0.00 H new ATOM 479 N LYS A 29 5.725 -20.389 -1.709 1.00 0.00 N ATOM 480 CA LYS A 29 5.918 -18.937 -1.814 1.00 0.00 C ATOM 481 C LYS A 29 5.013 -18.158 -0.846 1.00 0.00 C ATOM 482 O LYS A 29 4.514 -17.080 -1.180 1.00 0.00 O ATOM 483 CB LYS A 29 5.810 -18.476 -3.284 1.00 0.00 C ATOM 484 CG LYS A 29 6.828 -19.170 -4.204 1.00 0.00 C ATOM 485 CD LYS A 29 6.736 -18.630 -5.637 1.00 0.00 C ATOM 486 CE LYS A 29 7.757 -19.346 -6.532 1.00 0.00 C ATOM 487 NZ LYS A 29 7.712 -18.861 -7.934 1.00 0.00 N ATOM 0 H LYS A 29 6.608 -20.890 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 29 6.932 -18.701 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.803 -18.675 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.959 -17.397 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.836 -19.016 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.648 -20.245 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.729 -18.780 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.924 -17.556 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.759 -19.196 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.564 -20.419 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.418 -19.372 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.764 -19.028 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.922 -17.843 -7.956 1.00 0.00 H new ATOM 501 N LEU A 30 4.768 -18.714 0.344 1.00 0.00 N ATOM 502 CA LEU A 30 3.991 -18.073 1.400 1.00 0.00 C ATOM 503 C LEU A 30 4.853 -17.048 2.141 1.00 0.00 C ATOM 504 O LEU A 30 6.073 -16.997 1.966 1.00 0.00 O ATOM 505 CB LEU A 30 3.453 -19.150 2.359 1.00 0.00 C ATOM 506 CG LEU A 30 2.291 -19.963 1.761 1.00 0.00 C ATOM 507 CD1 LEU A 30 1.951 -21.135 2.680 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.028 -19.122 1.543 1.00 0.00 C ATOM 0 H LEU A 30 5.112 -19.639 0.602 1.00 0.00 H new ATOM 0 HA LEU A 30 3.145 -17.541 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.264 -19.828 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.119 -18.674 3.281 1.00 0.00 H new ATOM 0 HG LEU A 30 2.626 -20.319 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.128 -21.707 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.824 -21.779 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.658 -20.756 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.243 -19.748 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.693 -18.715 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.249 -18.304 0.857 1.00 0.00 H new ATOM 520 N ALA A 31 4.213 -16.253 3.003 1.00 0.00 N ATOM 521 CA ALA A 31 4.852 -15.328 3.932 1.00 0.00 C ATOM 522 C ALA A 31 4.302 -15.625 5.334 1.00 0.00 C ATOM 523 O ALA A 31 3.202 -16.171 5.432 1.00 0.00 O ATOM 524 CB ALA A 31 4.553 -13.896 3.478 1.00 0.00 C ATOM 0 H ALA A 31 3.195 -16.239 3.072 1.00 0.00 H new ATOM 0 HA ALA A 31 5.935 -15.445 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.024 -13.191 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.946 -13.743 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.475 -13.733 3.474 1.00 0.00 H new ATOM 530 N GLY A 32 5.042 -15.340 6.412 1.00 0.00 N ATOM 531 CA GLY A 32 4.644 -15.766 7.754 1.00 0.00 C ATOM 532 C GLY A 32 5.825 -16.087 8.672 1.00 0.00 C ATOM 533 O GLY A 32 6.948 -15.620 8.456 1.00 0.00 O ATOM 0 H GLY A 32 5.917 -14.817 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.042 -14.981 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.008 -16.648 7.672 1.00 0.00 H new ATOM 537 N TRP A 33 5.586 -16.923 9.685 1.00 0.00 N ATOM 538 CA TRP A 33 6.627 -17.444 10.550 1.00 0.00 C ATOM 539 C TRP A 33 6.397 -18.904 10.928 1.00 0.00 C ATOM 540 O TRP A 33 5.279 -19.421 10.843 1.00 0.00 O ATOM 541 CB TRP A 33 6.799 -16.566 11.806 1.00 0.00 C ATOM 542 CG TRP A 33 5.670 -16.494 12.806 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.097 -17.538 13.454 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.018 -15.305 13.356 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.122 -17.088 14.319 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.048 -15.714 14.322 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.162 -13.915 13.154 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.268 -14.797 15.043 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.379 -12.984 13.864 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.433 -13.422 14.809 1.00 0.00 C ATOM 0 H TRP A 33 4.652 -17.256 9.924 1.00 0.00 H new ATOM 0 HA TRP A 33 7.555 -17.409 9.979 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.685 -16.917 12.334 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.008 -15.550 11.472 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.366 -18.574 13.313 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.531 -17.697 14.885 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.889 -13.558 12.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.549 -15.145 15.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.506 -11.927 13.682 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.836 -12.704 15.352 1.00 0.00 H new ATOM 561 N VAL A 34 7.442 -19.528 11.470 1.00 0.00 N ATOM 562 CA VAL A 34 7.366 -20.763 12.241 1.00 0.00 C ATOM 563 C VAL A 34 8.187 -20.569 13.513 1.00 0.00 C ATOM 564 O VAL A 34 9.231 -19.918 13.482 1.00 0.00 O ATOM 565 CB VAL A 34 7.824 -21.970 11.389 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.256 -21.851 10.837 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.693 -23.284 12.176 1.00 0.00 C ATOM 0 H VAL A 34 8.395 -19.174 11.380 1.00 0.00 H new ATOM 0 HA VAL A 34 6.338 -20.988 12.527 1.00 0.00 H new ATOM 0 HB VAL A 34 7.154 -21.973 10.529 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.495 -22.739 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.329 -20.968 10.202 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.959 -21.762 11.665 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.022 -24.116 11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.312 -23.235 13.072 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.652 -23.434 12.462 1.00 0.00 H new ATOM 577 N LYS A 35 7.742 -21.153 14.625 1.00 0.00 N ATOM 578 CA LYS A 35 8.482 -21.209 15.881 1.00 0.00 C ATOM 579 C LYS A 35 8.212 -22.560 16.535 1.00 0.00 C ATOM 580 O LYS A 35 7.206 -23.204 16.229 1.00 0.00 O ATOM 581 CB LYS A 35 8.108 -20.016 16.781 1.00 0.00 C ATOM 582 CG LYS A 35 6.628 -19.982 17.211 1.00 0.00 C ATOM 583 CD LYS A 35 6.303 -18.755 18.076 1.00 0.00 C ATOM 584 CE LYS A 35 6.331 -17.447 17.267 1.00 0.00 C ATOM 585 NZ LYS A 35 6.225 -16.256 18.144 1.00 0.00 N ATOM 0 H LYS A 35 6.832 -21.612 14.676 1.00 0.00 H new ATOM 0 HA LYS A 35 9.554 -21.124 15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.733 -20.040 17.674 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.342 -19.091 16.253 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.994 -19.978 16.324 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.392 -20.889 17.767 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.318 -18.881 18.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.021 -18.689 18.894 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.256 -17.394 16.692 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.510 -17.445 16.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.247 -15.394 17.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.331 -16.293 18.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.022 -16.244 18.811 1.00 0.00 H new ATOM 599 N ASN A 36 9.092 -22.995 17.433 1.00 0.00 N ATOM 600 CA ASN A 36 8.968 -24.290 18.097 1.00 0.00 C ATOM 601 C ASN A 36 9.013 -24.032 19.599 1.00 0.00 C ATOM 602 O ASN A 36 9.959 -23.414 20.092 1.00 0.00 O ATOM 603 CB ASN A 36 10.052 -25.264 17.596 1.00 0.00 C ATOM 604 CG ASN A 36 9.563 -26.708 17.578 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.573 -27.035 18.225 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.194 -27.586 16.820 1.00 0.00 N ATOM 0 H ASN A 36 9.911 -22.460 17.721 1.00 0.00 H new ATOM 0 HA ASN A 36 8.023 -24.779 17.860 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.363 -24.975 16.592 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.931 -25.188 18.236 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.860 -28.548 16.768 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.016 -27.302 16.287 1.00 0.00 H new ATOM 613 N ARG A 37 7.935 -24.381 20.300 1.00 0.00 N ATOM 614 CA ARG A 37 7.569 -23.782 21.582 1.00 0.00 C ATOM 615 C ARG A 37 8.116 -24.615 22.733 1.00 0.00 C ATOM 616 O ARG A 37 8.263 -25.832 22.610 1.00 0.00 O ATOM 617 CB ARG A 37 6.033 -23.696 21.675 1.00 0.00 C ATOM 618 CG ARG A 37 5.386 -22.829 20.573 1.00 0.00 C ATOM 619 CD ARG A 37 3.860 -22.992 20.531 1.00 0.00 C ATOM 620 NE ARG A 37 3.249 -22.756 21.847 1.00 0.00 N ATOM 621 CZ ARG A 37 2.782 -21.603 22.340 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.618 -20.515 21.592 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.487 -21.571 23.633 1.00 0.00 N ATOM 0 H ARG A 37 7.281 -25.099 19.988 1.00 0.00 H new ATOM 0 HA ARG A 37 7.998 -22.782 21.649 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.619 -24.703 21.621 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.760 -23.291 22.649 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.634 -21.781 20.745 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.806 -23.101 19.605 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.440 -22.296 19.805 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.611 -23.997 20.190 1.00 0.00 H new ATOM 0 HE ARG A 37 3.172 -23.569 22.458 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.852 -20.539 20.599 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.259 -19.657 22.011 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.619 -22.404 24.207 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.128 -20.714 24.053 1.00 0.00 H new ATOM 637 N ASP A 38 8.355 -23.983 23.882 1.00 0.00 N ATOM 638 CA ASP A 38 8.857 -24.673 25.073 1.00 0.00 C ATOM 639 C ASP A 38 7.853 -25.699 25.606 1.00 0.00 C ATOM 640 O ASP A 38 8.249 -26.727 26.157 1.00 0.00 O ATOM 641 CB ASP A 38 9.197 -23.653 26.165 1.00 0.00 C ATOM 642 CG ASP A 38 9.690 -24.346 27.447 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.837 -24.847 27.466 1.00 0.00 O ATOM 644 OD2 ASP A 38 8.952 -24.356 28.457 1.00 0.00 O ATOM 0 H ASP A 38 8.207 -22.983 24.015 1.00 0.00 H new ATOM 0 HA ASP A 38 9.758 -25.214 24.785 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.964 -22.970 25.801 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.316 -23.052 26.390 1.00 0.00 H new ATOM 649 N ASP A 39 6.556 -25.456 25.390 1.00 0.00 N ATOM 650 CA ASP A 39 5.484 -26.394 25.733 1.00 0.00 C ATOM 651 C ASP A 39 5.494 -27.672 24.876 1.00 0.00 C ATOM 652 O ASP A 39 4.789 -28.628 25.207 1.00 0.00 O ATOM 653 CB ASP A 39 4.105 -25.714 25.717 1.00 0.00 C ATOM 654 CG ASP A 39 3.562 -25.332 24.335 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.617 -26.119 23.370 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.995 -24.222 24.221 1.00 0.00 O ATOM 0 H ASP A 39 6.218 -24.592 24.967 1.00 0.00 H new ATOM 0 HA ASP A 39 5.686 -26.715 26.755 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.388 -26.380 26.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.159 -24.812 26.327 1.00 0.00 H new ATOM 661 N GLY A 40 6.306 -27.719 23.813 1.00 0.00 N ATOM 662 CA GLY A 40 6.542 -28.911 23.008 1.00 0.00 C ATOM 663 C GLY A 40 5.942 -28.822 21.604 1.00 0.00 C ATOM 664 O GLY A 40 6.349 -29.583 20.723 1.00 0.00 O ATOM 0 H GLY A 40 6.827 -26.906 23.485 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.616 -29.079 22.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.122 -29.776 23.521 1.00 0.00 H new ATOM 668 N ARG A 41 4.973 -27.930 21.376 1.00 0.00 N ATOM 669 CA ARG A 41 4.280 -27.832 20.098 1.00 0.00 C ATOM 670 C ARG A 41 5.088 -26.977 19.132 1.00 0.00 C ATOM 671 O ARG A 41 5.818 -26.077 19.544 1.00 0.00 O ATOM 672 CB ARG A 41 2.883 -27.234 20.315 1.00 0.00 C ATOM 673 CG ARG A 41 2.000 -28.159 21.175 1.00 0.00 C ATOM 674 CD ARG A 41 0.679 -27.497 21.573 1.00 0.00 C ATOM 675 NE ARG A 41 0.901 -26.337 22.452 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.038 -25.485 22.875 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.313 -25.647 22.524 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.307 -24.468 23.652 1.00 0.00 N ATOM 0 H ARG A 41 4.651 -27.259 22.074 1.00 0.00 H new ATOM 0 HA ARG A 41 4.172 -28.827 19.666 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.973 -26.262 20.800 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.404 -27.066 19.350 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.792 -29.076 20.623 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.546 -28.445 22.074 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.145 -27.179 20.677 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.045 -28.224 22.081 1.00 0.00 H new ATOM 0 HE ARG A 41 1.857 -26.168 22.766 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.582 -26.428 21.926 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.020 -24.990 22.853 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.282 -24.341 23.922 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.403 -23.813 23.980 1.00 0.00 H new ATOM 692 N VAL A 42 4.897 -27.198 17.840 1.00 0.00 N ATOM 693 CA VAL A 42 5.289 -26.239 16.815 1.00 0.00 C ATOM 694 C VAL A 42 4.106 -25.285 16.666 1.00 0.00 C ATOM 695 O VAL A 42 2.952 -25.695 16.830 1.00 0.00 O ATOM 696 CB VAL A 42 5.613 -26.926 15.468 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.499 -26.032 14.585 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.312 -28.282 15.622 1.00 0.00 C ATOM 0 H VAL A 42 4.466 -28.046 17.472 1.00 0.00 H new ATOM 0 HA VAL A 42 6.201 -25.717 17.105 1.00 0.00 H new ATOM 0 HB VAL A 42 4.643 -27.093 15.000 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.709 -26.543 13.645 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.981 -25.095 14.381 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.436 -25.824 15.102 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.508 -28.704 14.636 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.254 -28.147 16.153 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.671 -28.960 16.186 1.00 0.00 H new ATOM 708 N GLU A 43 4.382 -24.040 16.290 1.00 0.00 N ATOM 709 CA GLU A 43 3.379 -23.073 15.883 1.00 0.00 C ATOM 710 C GLU A 43 3.850 -22.431 14.584 1.00 0.00 C ATOM 711 O GLU A 43 5.039 -22.160 14.396 1.00 0.00 O ATOM 712 CB GLU A 43 3.160 -22.065 17.018 1.00 0.00 C ATOM 713 CG GLU A 43 2.343 -20.830 16.607 1.00 0.00 C ATOM 714 CD GLU A 43 1.916 -19.965 17.806 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.554 -20.030 18.881 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.939 -19.197 17.651 1.00 0.00 O ATOM 0 H GLU A 43 5.332 -23.671 16.261 1.00 0.00 H new ATOM 0 HA GLU A 43 2.412 -23.538 15.694 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.652 -22.566 17.842 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.130 -21.738 17.392 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.933 -20.223 15.920 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.455 -21.153 16.064 1.00 0.00 H new ATOM 723 N ILE A 44 2.906 -22.189 13.683 1.00 0.00 N ATOM 724 CA ILE A 44 3.124 -21.638 12.362 1.00 0.00 C ATOM 725 C ILE A 44 2.041 -20.578 12.183 1.00 0.00 C ATOM 726 O ILE A 44 0.902 -20.783 12.611 1.00 0.00 O ATOM 727 CB ILE A 44 2.996 -22.738 11.276 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.535 -24.139 11.676 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.678 -22.243 9.992 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.361 -25.228 10.607 1.00 0.00 C ATOM 0 H ILE A 44 1.922 -22.383 13.868 1.00 0.00 H new ATOM 0 HA ILE A 44 4.125 -21.219 12.261 1.00 0.00 H new ATOM 0 HB ILE A 44 1.928 -22.897 11.127 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.595 -24.050 11.914 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.030 -24.460 12.587 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.596 -23.007 9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.193 -21.328 9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.730 -22.042 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.767 -26.169 10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.301 -25.352 10.384 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.891 -24.936 9.700 1.00 0.00 H new ATOM 742 N LEU A 45 2.361 -19.481 11.508 1.00 0.00 N ATOM 743 CA LEU A 45 1.405 -18.476 11.067 1.00 0.00 C ATOM 744 C LEU A 45 1.802 -18.203 9.628 1.00 0.00 C ATOM 745 O LEU A 45 2.973 -17.936 9.373 1.00 0.00 O ATOM 746 CB LEU A 45 1.500 -17.238 11.978 1.00 0.00 C ATOM 747 CG LEU A 45 0.438 -16.148 11.720 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.454 -15.153 12.885 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.673 -15.355 10.425 1.00 0.00 C ATOM 0 H LEU A 45 3.322 -19.261 11.245 1.00 0.00 H new ATOM 0 HA LEU A 45 0.362 -18.788 11.124 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.419 -17.563 13.015 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.489 -16.795 11.859 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.518 -16.664 11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.293 -14.378 12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.226 -15.676 13.814 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.441 -14.695 12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.111 -14.607 10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.643 -14.860 10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.655 -16.035 9.573 1.00 0.00 H new ATOM 761 N ALA A 46 0.869 -18.316 8.685 1.00 0.00 N ATOM 762 CA ALA A 46 1.156 -18.177 7.267 1.00 0.00 C ATOM 763 C ALA A 46 0.071 -17.328 6.622 1.00 0.00 C ATOM 764 O ALA A 46 -1.080 -17.340 7.058 1.00 0.00 O ATOM 765 CB ALA A 46 1.253 -19.563 6.624 1.00 0.00 C ATOM 0 H ALA A 46 -0.112 -18.508 8.889 1.00 0.00 H new ATOM 0 HA ALA A 46 2.113 -17.677 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.468 -19.457 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.052 -20.130 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.308 -20.090 6.752 1.00 0.00 H new ATOM 771 N GLU A 47 0.437 -16.593 5.579 1.00 0.00 N ATOM 772 CA GLU A 47 -0.390 -15.593 4.929 1.00 0.00 C ATOM 773 C GLU A 47 -0.212 -15.773 3.426 1.00 0.00 C ATOM 774 O GLU A 47 0.918 -15.908 2.943 1.00 0.00 O ATOM 775 CB GLU A 47 0.020 -14.183 5.395 1.00 0.00 C ATOM 776 CG GLU A 47 -0.351 -13.995 6.874 1.00 0.00 C ATOM 777 CD GLU A 47 -0.148 -12.589 7.438 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.753 -11.836 7.009 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.862 -12.262 8.409 1.00 0.00 O ATOM 0 H GLU A 47 1.357 -16.684 5.148 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.442 -15.712 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.092 -14.043 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.480 -13.429 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.398 -14.270 7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.239 -14.693 7.468 1.00 0.00 H new ATOM 786 N GLY A 48 -1.328 -15.833 2.700 1.00 0.00 N ATOM 787 CA GLY A 48 -1.329 -16.207 1.292 1.00 0.00 C ATOM 788 C GLY A 48 -2.747 -16.448 0.779 1.00 0.00 C ATOM 789 O GLY A 48 -3.711 -16.188 1.504 1.00 0.00 O ATOM 0 H GLY A 48 -2.254 -15.624 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.857 -15.419 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.732 -17.109 1.153 1.00 0.00 H new ATOM 793 N PRO A 49 -2.898 -16.928 -0.466 1.00 0.00 N ATOM 794 CA PRO A 49 -4.182 -17.378 -0.979 1.00 0.00 C ATOM 795 C PRO A 49 -4.589 -18.690 -0.298 1.00 0.00 C ATOM 796 O PRO A 49 -3.748 -19.524 0.053 1.00 0.00 O ATOM 797 CB PRO A 49 -3.982 -17.536 -2.489 1.00 0.00 C ATOM 798 CG PRO A 49 -2.496 -17.862 -2.626 1.00 0.00 C ATOM 799 CD PRO A 49 -1.847 -17.120 -1.457 1.00 0.00 C ATOM 0 HA PRO A 49 -4.991 -16.676 -0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.606 -18.333 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.243 -16.623 -3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.315 -18.935 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.099 -17.524 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.020 -17.696 -1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.438 -16.163 -1.782 1.00 0.00 H new ATOM 807 N GLU A 50 -5.898 -18.894 -0.150 1.00 0.00 N ATOM 808 CA GLU A 50 -6.474 -20.010 0.595 1.00 0.00 C ATOM 809 C GLU A 50 -6.036 -21.366 0.026 1.00 0.00 C ATOM 810 O GLU A 50 -5.855 -22.321 0.778 1.00 0.00 O ATOM 811 CB GLU A 50 -8.003 -19.853 0.581 1.00 0.00 C ATOM 812 CG GLU A 50 -8.723 -20.860 1.486 1.00 0.00 C ATOM 813 CD GLU A 50 -10.253 -20.731 1.358 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.875 -19.953 2.114 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.854 -21.417 0.499 1.00 0.00 O ATOM 0 H GLU A 50 -6.601 -18.275 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.111 -19.990 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.261 -18.842 0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.364 -19.970 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.418 -21.873 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.427 -20.697 2.522 1.00 0.00 H new ATOM 822 N ASN A 51 -5.849 -21.482 -1.293 1.00 0.00 N ATOM 823 CA ASN A 51 -5.409 -22.741 -1.896 1.00 0.00 C ATOM 824 C ASN A 51 -3.972 -23.082 -1.505 1.00 0.00 C ATOM 825 O ASN A 51 -3.674 -24.241 -1.206 1.00 0.00 O ATOM 826 CB ASN A 51 -5.540 -22.686 -3.425 1.00 0.00 C ATOM 827 CG ASN A 51 -4.978 -23.955 -4.065 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.868 -23.959 -4.587 1.00 0.00 O ATOM 829 ND2 ASN A 51 -5.716 -25.052 -4.029 1.00 0.00 N ATOM 0 H ASN A 51 -5.995 -20.723 -1.959 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.058 -23.528 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.588 -22.568 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.010 -21.814 -3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.364 -25.917 -4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.637 -25.033 -3.591 1.00 0.00 H new ATOM 836 N ALA A 52 -3.086 -22.084 -1.470 1.00 0.00 N ATOM 837 CA ALA A 52 -1.704 -22.295 -1.055 1.00 0.00 C ATOM 838 C ALA A 52 -1.658 -22.639 0.430 1.00 0.00 C ATOM 839 O ALA A 52 -0.923 -23.543 0.816 1.00 0.00 O ATOM 840 CB ALA A 52 -0.846 -21.060 -1.349 1.00 0.00 C ATOM 0 H ALA A 52 -3.305 -21.121 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.293 -23.128 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.180 -21.245 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.861 -20.853 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.245 -20.202 -0.808 1.00 0.00 H new ATOM 846 N LEU A 53 -2.459 -21.960 1.257 1.00 0.00 N ATOM 847 CA LEU A 53 -2.510 -22.211 2.693 1.00 0.00 C ATOM 848 C LEU A 53 -3.037 -23.621 2.987 1.00 0.00 C ATOM 849 O LEU A 53 -2.464 -24.322 3.820 1.00 0.00 O ATOM 850 CB LEU A 53 -3.377 -21.141 3.372 1.00 0.00 C ATOM 851 CG LEU A 53 -2.774 -19.722 3.355 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.791 -18.722 3.907 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.484 -19.614 4.174 1.00 0.00 C ATOM 0 H LEU A 53 -3.089 -21.221 0.945 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.500 -22.153 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.350 -21.114 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.551 -21.436 4.407 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.529 -19.498 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.361 -17.721 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.690 -18.739 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.048 -18.992 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.106 -18.593 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.689 -19.875 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.737 -20.297 3.769 1.00 0.00 H new ATOM 865 N GLN A 54 -4.068 -24.078 2.269 1.00 0.00 N ATOM 866 CA GLN A 54 -4.545 -25.454 2.360 1.00 0.00 C ATOM 867 C GLN A 54 -3.434 -26.429 1.970 1.00 0.00 C ATOM 868 O GLN A 54 -3.144 -27.365 2.711 1.00 0.00 O ATOM 869 CB GLN A 54 -5.759 -25.635 1.437 1.00 0.00 C ATOM 870 CG GLN A 54 -7.049 -25.095 2.062 1.00 0.00 C ATOM 871 CD GLN A 54 -8.191 -25.144 1.052 1.00 0.00 C ATOM 872 OE1 GLN A 54 -9.057 -26.016 1.090 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.190 -24.218 0.107 1.00 0.00 N ATOM 0 H GLN A 54 -4.592 -23.502 1.610 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.840 -25.664 3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.574 -25.124 0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.884 -26.693 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.308 -25.684 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.896 -24.069 2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.462 -23.504 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.917 -24.219 -0.608 1.00 0.00 H new ATOM 882 N SER A 55 -2.781 -26.203 0.830 1.00 0.00 N ATOM 883 CA SER A 55 -1.741 -27.100 0.336 1.00 0.00 C ATOM 884 C SER A 55 -0.520 -27.117 1.274 1.00 0.00 C ATOM 885 O SER A 55 0.188 -28.124 1.375 1.00 0.00 O ATOM 886 CB SER A 55 -1.367 -26.686 -1.094 1.00 0.00 C ATOM 887 OG SER A 55 -2.516 -26.588 -1.923 1.00 0.00 O ATOM 0 H SER A 55 -2.958 -25.399 0.228 1.00 0.00 H new ATOM 0 HA SER A 55 -2.120 -28.122 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.849 -25.727 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.674 -27.414 -1.515 1.00 0.00 H new ATOM 0 HG SER A 55 -2.915 -25.698 -1.826 1.00 0.00 H new ATOM 893 N PHE A 56 -0.254 -26.011 1.971 1.00 0.00 N ATOM 894 CA PHE A 56 0.773 -25.912 2.991 1.00 0.00 C ATOM 895 C PHE A 56 0.395 -26.746 4.211 1.00 0.00 C ATOM 896 O PHE A 56 1.236 -27.513 4.670 1.00 0.00 O ATOM 897 CB PHE A 56 0.973 -24.437 3.344 1.00 0.00 C ATOM 898 CG PHE A 56 1.978 -24.136 4.437 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.336 -24.480 4.279 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.566 -23.434 5.587 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.275 -24.099 5.253 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.509 -23.035 6.545 1.00 0.00 C ATOM 903 CZ PHE A 56 3.865 -23.352 6.369 1.00 0.00 C ATOM 0 H PHE A 56 -0.765 -25.139 1.832 1.00 0.00 H new ATOM 0 HA PHE A 56 1.716 -26.311 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.281 -23.909 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.010 -24.023 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.655 -25.036 3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.521 -23.203 5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.312 -24.381 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.192 -22.484 7.418 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.594 -23.021 7.093 1.00 0.00 H new ATOM 913 N VAL A 57 -0.852 -26.683 4.696 1.00 0.00 N ATOM 914 CA VAL A 57 -1.315 -27.576 5.756 1.00 0.00 C ATOM 915 C VAL A 57 -1.102 -29.025 5.316 1.00 0.00 C ATOM 916 O VAL A 57 -0.488 -29.790 6.059 1.00 0.00 O ATOM 917 CB VAL A 57 -2.784 -27.272 6.132 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.418 -28.351 7.027 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.875 -25.938 6.883 1.00 0.00 C ATOM 0 H VAL A 57 -1.556 -26.021 4.368 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.733 -27.411 6.663 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.329 -27.240 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.448 -28.076 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.404 -29.309 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.852 -28.433 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.914 -25.736 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.278 -25.992 7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.497 -25.137 6.248 1.00 0.00 H new ATOM 929 N GLU A 58 -1.536 -29.381 4.100 1.00 0.00 N ATOM 930 CA GLU A 58 -1.447 -30.740 3.572 1.00 0.00 C ATOM 931 C GLU A 58 0.003 -31.229 3.585 1.00 0.00 C ATOM 932 O GLU A 58 0.268 -32.365 3.980 1.00 0.00 O ATOM 933 CB GLU A 58 -2.033 -30.804 2.150 1.00 0.00 C ATOM 934 CG GLU A 58 -3.562 -30.667 2.099 1.00 0.00 C ATOM 935 CD GLU A 58 -4.280 -31.941 2.572 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.550 -32.836 1.739 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.585 -32.060 3.779 1.00 0.00 O ATOM 0 H GLU A 58 -1.964 -28.721 3.450 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.033 -31.399 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.587 -30.012 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.748 -31.751 1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.870 -29.827 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.870 -30.437 1.079 1.00 0.00 H new ATOM 944 N ALA A 59 0.942 -30.356 3.207 1.00 0.00 N ATOM 945 CA ALA A 59 2.366 -30.650 3.275 1.00 0.00 C ATOM 946 C ALA A 59 2.836 -30.826 4.723 1.00 0.00 C ATOM 947 O ALA A 59 3.513 -31.806 5.032 1.00 0.00 O ATOM 948 CB ALA A 59 3.170 -29.550 2.577 1.00 0.00 C ATOM 0 H ALA A 59 0.730 -29.426 2.846 1.00 0.00 H new ATOM 0 HA ALA A 59 2.537 -31.594 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.233 -29.783 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.870 -29.488 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.981 -28.595 3.066 1.00 0.00 H new ATOM 954 N VAL A 60 2.475 -29.908 5.623 1.00 0.00 N ATOM 955 CA VAL A 60 2.903 -29.927 7.021 1.00 0.00 C ATOM 956 C VAL A 60 2.420 -31.205 7.723 1.00 0.00 C ATOM 957 O VAL A 60 3.144 -31.708 8.584 1.00 0.00 O ATOM 958 CB VAL A 60 2.469 -28.615 7.722 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.648 -28.631 9.248 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.298 -27.427 7.196 1.00 0.00 C ATOM 0 H VAL A 60 1.868 -29.120 5.396 1.00 0.00 H new ATOM 0 HA VAL A 60 3.991 -29.961 7.078 1.00 0.00 H new ATOM 0 HB VAL A 60 1.407 -28.517 7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.322 -27.677 9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.051 -29.436 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.699 -28.791 9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.982 -26.512 7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.355 -27.604 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.144 -27.323 6.122 1.00 0.00 H new ATOM 970 N LYS A 61 1.278 -31.800 7.332 1.00 0.00 N ATOM 971 CA LYS A 61 0.825 -33.064 7.935 1.00 0.00 C ATOM 972 C LYS A 61 1.850 -34.190 7.758 1.00 0.00 C ATOM 973 O LYS A 61 1.816 -35.157 8.516 1.00 0.00 O ATOM 974 CB LYS A 61 -0.527 -33.571 7.396 1.00 0.00 C ATOM 975 CG LYS A 61 -1.610 -32.512 7.160 1.00 0.00 C ATOM 976 CD LYS A 61 -3.020 -33.085 6.971 1.00 0.00 C ATOM 977 CE LYS A 61 -3.068 -34.155 5.868 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.436 -34.338 5.329 1.00 0.00 N ATOM 0 H LYS A 61 0.660 -31.430 6.610 1.00 0.00 H new ATOM 0 HA LYS A 61 0.705 -32.817 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.346 -34.090 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.918 -34.309 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.620 -31.824 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.346 -31.929 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.363 -33.518 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.708 -32.277 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.395 -33.872 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.706 -35.103 6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.497 -35.255 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.123 -34.314 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.649 -33.574 4.657 1.00 0.00 H new ATOM 992 N ASN A 62 2.730 -34.103 6.754 1.00 0.00 N ATOM 993 CA ASN A 62 3.763 -35.110 6.524 1.00 0.00 C ATOM 994 C ASN A 62 4.816 -35.101 7.636 1.00 0.00 C ATOM 995 O ASN A 62 5.345 -36.153 7.994 1.00 0.00 O ATOM 996 CB ASN A 62 4.447 -34.882 5.168 1.00 0.00 C ATOM 997 CG ASN A 62 5.314 -36.076 4.777 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.826 -37.036 4.186 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.601 -36.059 5.079 1.00 0.00 N ATOM 0 H ASN A 62 2.743 -33.335 6.083 1.00 0.00 H new ATOM 0 HA ASN A 62 3.272 -36.083 6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.691 -34.712 4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.062 -33.983 5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.196 -36.846 4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.999 -35.258 5.570 1.00 0.00 H new ATOM 1006 N GLY A 63 5.124 -33.915 8.175 1.00 0.00 N ATOM 1007 CA GLY A 63 6.310 -33.665 8.985 1.00 0.00 C ATOM 1008 C GLY A 63 7.604 -33.820 8.176 1.00 0.00 C ATOM 1009 O GLY A 63 7.584 -34.264 7.022 1.00 0.00 O ATOM 0 H GLY A 63 4.539 -33.088 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.260 -32.658 9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.325 -34.356 9.828 1.00 0.00 H new ATOM 1013 N SER A 64 8.740 -33.454 8.770 1.00 0.00 N ATOM 1014 CA SER A 64 10.050 -33.725 8.189 1.00 0.00 C ATOM 1015 C SER A 64 10.287 -35.246 8.099 1.00 0.00 C ATOM 1016 O SER A 64 9.705 -36.001 8.884 1.00 0.00 O ATOM 1017 CB SER A 64 11.165 -33.050 9.010 1.00 0.00 C ATOM 1018 OG SER A 64 10.669 -32.203 10.041 1.00 0.00 O ATOM 0 H SER A 64 8.776 -32.964 9.664 1.00 0.00 H new ATOM 0 HA SER A 64 10.074 -33.307 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.797 -33.819 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.797 -32.465 8.341 1.00 0.00 H new ATOM 0 HG SER A 64 11.421 -31.805 10.527 1.00 0.00 H new ATOM 1024 N PRO A 65 11.185 -35.725 7.213 1.00 0.00 N ATOM 1025 CA PRO A 65 11.575 -37.135 7.152 1.00 0.00 C ATOM 1026 C PRO A 65 12.058 -37.700 8.497 1.00 0.00 C ATOM 1027 O PRO A 65 11.870 -38.883 8.785 1.00 0.00 O ATOM 1028 CB PRO A 65 12.691 -37.207 6.103 1.00 0.00 C ATOM 1029 CG PRO A 65 12.425 -36.001 5.206 1.00 0.00 C ATOM 1030 CD PRO A 65 11.867 -34.963 6.177 1.00 0.00 C ATOM 0 HA PRO A 65 10.710 -37.746 6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.677 -37.153 6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.652 -38.140 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.336 -35.651 4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.713 -36.236 4.415 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.665 -34.353 6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.180 -34.284 5.673 1.00 0.00 H new ATOM 1038 N PHE A 66 12.679 -36.849 9.319 1.00 0.00 N ATOM 1039 CA PHE A 66 13.270 -37.194 10.608 1.00 0.00 C ATOM 1040 C PHE A 66 12.238 -37.209 11.752 1.00 0.00 C ATOM 1041 O PHE A 66 12.615 -37.433 12.904 1.00 0.00 O ATOM 1042 CB PHE A 66 14.388 -36.183 10.915 1.00 0.00 C ATOM 1043 CG PHE A 66 15.379 -35.980 9.780 1.00 0.00 C ATOM 1044 CD1 PHE A 66 16.259 -37.018 9.416 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.398 -34.767 9.063 1.00 0.00 C ATOM 1046 CE1 PHE A 66 17.149 -36.846 8.339 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.287 -34.596 7.986 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.163 -35.635 7.624 1.00 0.00 C ATOM 0 H PHE A 66 12.786 -35.860 9.092 1.00 0.00 H new ATOM 0 HA PHE A 66 13.669 -38.206 10.541 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.935 -35.223 11.162 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.930 -36.517 11.800 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.251 -37.948 9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.728 -33.967 9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.821 -37.644 8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.297 -33.666 7.437 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.846 -35.503 6.798 1.00 0.00 H new ATOM 1058 N SER A 67 10.959 -36.958 11.464 1.00 0.00 N ATOM 1059 CA SER A 67 9.981 -36.497 12.443 1.00 0.00 C ATOM 1060 C SER A 67 8.733 -37.382 12.421 1.00 0.00 C ATOM 1061 O SER A 67 8.523 -38.160 11.485 1.00 0.00 O ATOM 1062 CB SER A 67 9.621 -35.044 12.102 1.00 0.00 C ATOM 1063 OG SER A 67 10.795 -34.294 11.853 1.00 0.00 O ATOM 0 H SER A 67 10.571 -37.072 10.528 1.00 0.00 H new ATOM 0 HA SER A 67 10.401 -36.554 13.447 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.972 -35.019 11.226 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.063 -34.597 12.925 1.00 0.00 H new ATOM 0 HG SER A 67 10.570 -33.501 11.322 1.00 0.00 H new ATOM 1069 N LYS A 68 7.878 -37.240 13.437 1.00 0.00 N ATOM 1070 CA LYS A 68 6.569 -37.881 13.489 1.00 0.00 C ATOM 1071 C LYS A 68 5.621 -36.937 14.213 1.00 0.00 C ATOM 1072 O LYS A 68 5.539 -36.948 15.440 1.00 0.00 O ATOM 1073 CB LYS A 68 6.653 -39.267 14.163 1.00 0.00 C ATOM 1074 CG LYS A 68 5.314 -40.027 14.136 1.00 0.00 C ATOM 1075 CD LYS A 68 4.951 -40.570 12.742 1.00 0.00 C ATOM 1076 CE LYS A 68 3.528 -41.150 12.716 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.488 -40.117 12.471 1.00 0.00 N ATOM 0 H LYS A 68 8.082 -36.668 14.256 1.00 0.00 H new ATOM 0 HA LYS A 68 6.192 -38.067 12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.414 -39.864 13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.975 -39.144 15.197 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.361 -40.857 14.841 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.520 -39.363 14.478 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.032 -39.770 12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.665 -41.342 12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.466 -41.913 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.325 -41.645 13.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.561 -40.478 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.719 -39.258 13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.455 -39.891 11.456 1.00 0.00 H new ATOM 1091 N VAL A 69 4.918 -36.105 13.453 1.00 0.00 N ATOM 1092 CA VAL A 69 3.717 -35.441 13.938 1.00 0.00 C ATOM 1093 C VAL A 69 2.701 -36.522 14.335 1.00 0.00 C ATOM 1094 O VAL A 69 2.597 -37.558 13.671 1.00 0.00 O ATOM 1095 CB VAL A 69 3.223 -34.432 12.871 1.00 0.00 C ATOM 1096 CG1 VAL A 69 3.229 -34.961 11.428 1.00 0.00 C ATOM 1097 CG2 VAL A 69 1.826 -33.882 13.179 1.00 0.00 C ATOM 0 H VAL A 69 5.163 -35.874 12.490 1.00 0.00 H new ATOM 0 HA VAL A 69 3.899 -34.845 14.832 1.00 0.00 H new ATOM 0 HB VAL A 69 3.962 -33.633 12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.867 -34.184 10.754 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.244 -35.241 11.147 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.580 -35.834 11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.531 -33.180 12.399 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.111 -34.704 13.217 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.841 -33.370 14.141 1.00 0.00 H new ATOM 1107 N THR A 70 1.952 -36.280 15.410 1.00 0.00 N ATOM 1108 CA THR A 70 0.914 -37.167 15.922 1.00 0.00 C ATOM 1109 C THR A 70 -0.409 -36.413 16.131 1.00 0.00 C ATOM 1110 O THR A 70 -1.463 -37.048 16.205 1.00 0.00 O ATOM 1111 CB THR A 70 1.410 -37.839 17.218 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.786 -36.871 18.181 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.643 -38.712 16.967 1.00 0.00 C ATOM 0 H THR A 70 2.057 -35.431 15.966 1.00 0.00 H new ATOM 0 HA THR A 70 0.711 -37.946 15.187 1.00 0.00 H new ATOM 0 HB THR A 70 0.580 -38.448 17.578 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.095 -37.322 18.994 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.963 -39.168 17.904 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.395 -39.493 16.249 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.450 -38.096 16.570 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.388 -35.074 16.177 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.580 -34.232 16.243 1.00 0.00 C ATOM 1123 C ASP A 71 -1.281 -32.897 15.566 1.00 0.00 C ATOM 1124 O ASP A 71 -0.139 -32.431 15.583 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.001 -33.996 17.700 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.252 -33.107 17.791 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.256 -33.402 17.106 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.244 -32.126 18.567 1.00 0.00 O ATOM 0 H ASP A 71 0.480 -34.539 16.169 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.400 -34.735 15.731 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.199 -34.954 18.182 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.181 -33.528 18.245 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.297 -32.285 14.963 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.187 -31.044 14.212 1.00 0.00 C ATOM 1135 C ILE A 72 -3.556 -30.351 14.242 1.00 0.00 C ATOM 1136 O ILE A 72 -4.592 -31.024 14.188 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.653 -31.338 12.783 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.470 -30.034 11.978 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.507 -32.362 12.004 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -0.623 -30.214 10.711 1.00 0.00 C ATOM 0 H ILE A 72 -3.248 -32.653 14.986 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.464 -30.360 14.657 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.677 -31.804 12.916 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.450 -29.647 11.699 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.001 -29.285 12.616 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.075 -32.519 11.015 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.525 -33.308 12.546 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.524 -31.984 11.900 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.535 -29.259 10.194 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.370 -30.572 10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.102 -30.940 10.054 1.00 0.00 H new ATOM 1152 N SER A 73 -3.558 -29.020 14.313 1.00 0.00 N ATOM 1153 CA SER A 73 -4.751 -28.182 14.398 1.00 0.00 C ATOM 1154 C SER A 73 -4.514 -26.909 13.583 1.00 0.00 C ATOM 1155 O SER A 73 -3.365 -26.496 13.408 1.00 0.00 O ATOM 1156 CB SER A 73 -5.032 -27.824 15.867 1.00 0.00 C ATOM 1157 OG SER A 73 -5.170 -28.983 16.676 1.00 0.00 O ATOM 0 H SER A 73 -2.695 -28.476 14.313 1.00 0.00 H new ATOM 0 HA SER A 73 -5.613 -28.718 14.000 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.220 -27.207 16.252 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.943 -27.228 15.928 1.00 0.00 H new ATOM 0 HG SER A 73 -5.346 -28.716 17.602 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.589 -26.280 13.099 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.540 -25.117 12.214 1.00 0.00 C ATOM 1165 C VAL A 74 -6.590 -24.104 12.691 1.00 0.00 C ATOM 1166 O VAL A 74 -7.665 -24.486 13.163 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.772 -25.553 10.744 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.619 -24.385 9.755 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.803 -26.663 10.302 1.00 0.00 C ATOM 0 H VAL A 74 -6.541 -26.575 13.319 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.558 -24.645 12.250 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.796 -25.925 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.791 -24.743 8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.345 -23.608 9.994 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.612 -23.975 9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.007 -26.932 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.777 -26.306 10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.938 -27.538 10.938 1.00 0.00 H new ATOM 1179 N THR A 75 -6.276 -22.818 12.544 1.00 0.00 N ATOM 1180 CA THR A 75 -7.129 -21.669 12.833 1.00 0.00 C ATOM 1181 C THR A 75 -6.959 -20.686 11.660 1.00 0.00 C ATOM 1182 O THR A 75 -5.995 -20.790 10.895 1.00 0.00 O ATOM 1183 CB THR A 75 -6.723 -21.058 14.196 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.494 -22.060 15.175 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.779 -20.106 14.771 1.00 0.00 C ATOM 0 H THR A 75 -5.360 -22.534 12.197 1.00 0.00 H new ATOM 0 HA THR A 75 -8.181 -21.940 12.920 1.00 0.00 H new ATOM 0 HB THR A 75 -5.810 -20.503 13.983 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.238 -21.638 16.022 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.432 -19.713 15.727 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.942 -19.282 14.077 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.714 -20.646 14.919 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.875 -19.731 11.496 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.941 -18.833 10.344 1.00 0.00 C ATOM 1195 C GLU A 76 -8.169 -17.400 10.819 1.00 0.00 C ATOM 1196 O GLU A 76 -8.676 -17.177 11.923 1.00 0.00 O ATOM 1197 CB GLU A 76 -9.104 -19.264 9.433 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.719 -20.444 8.541 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.939 -21.018 7.801 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.400 -20.415 6.807 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.454 -22.085 8.210 1.00 0.00 O ATOM 0 H GLU A 76 -8.611 -19.557 12.180 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.003 -18.881 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.964 -19.537 10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.410 -18.423 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.971 -20.123 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.261 -21.225 9.148 1.00 0.00 H new ATOM 1208 N SER A 77 -7.810 -16.423 9.985 1.00 0.00 N ATOM 1209 CA SER A 77 -8.078 -15.000 10.191 1.00 0.00 C ATOM 1210 C SER A 77 -7.979 -14.258 8.852 1.00 0.00 C ATOM 1211 O SER A 77 -7.367 -14.754 7.904 1.00 0.00 O ATOM 1212 CB SER A 77 -7.055 -14.421 11.184 1.00 0.00 C ATOM 1213 OG SER A 77 -7.248 -14.957 12.481 1.00 0.00 O ATOM 0 H SER A 77 -7.307 -16.608 9.117 1.00 0.00 H new ATOM 0 HA SER A 77 -9.082 -14.876 10.596 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.044 -14.643 10.841 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.149 -13.336 11.217 1.00 0.00 H new ATOM 0 HG SER A 77 -8.026 -15.553 12.476 1.00 0.00 H new ATOM 1219 N ARG A 78 -8.527 -13.040 8.791 1.00 0.00 N ATOM 1220 CA ARG A 78 -8.402 -12.141 7.636 1.00 0.00 C ATOM 1221 C ARG A 78 -7.724 -10.822 8.020 1.00 0.00 C ATOM 1222 O ARG A 78 -7.274 -10.099 7.129 1.00 0.00 O ATOM 1223 CB ARG A 78 -9.794 -11.960 6.992 1.00 0.00 C ATOM 1224 CG ARG A 78 -9.859 -11.019 5.775 1.00 0.00 C ATOM 1225 CD ARG A 78 -8.878 -11.397 4.654 1.00 0.00 C ATOM 1226 NE ARG A 78 -8.890 -10.407 3.564 1.00 0.00 N ATOM 1227 CZ ARG A 78 -8.214 -9.250 3.538 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -7.487 -8.851 4.581 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -8.269 -8.485 2.452 1.00 0.00 N ATOM 0 H ARG A 78 -9.078 -12.644 9.553 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.745 -12.583 6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.162 -12.940 6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.478 -11.585 7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.873 -11.024 5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.650 -10.000 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.871 -11.476 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.139 -12.378 4.257 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.468 -10.622 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.438 -9.430 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.980 -7.967 4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.822 -8.780 1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.758 -7.603 2.423 1.00 0.00 H new ATOM 1243 N SER A 79 -7.574 -10.522 9.308 1.00 0.00 N ATOM 1244 CA SER A 79 -6.794 -9.395 9.807 1.00 0.00 C ATOM 1245 C SER A 79 -5.296 -9.747 9.763 1.00 0.00 C ATOM 1246 O SER A 79 -4.674 -9.981 10.801 1.00 0.00 O ATOM 1247 CB SER A 79 -7.282 -9.031 11.218 1.00 0.00 C ATOM 1248 OG SER A 79 -8.692 -8.852 11.233 1.00 0.00 O ATOM 0 H SER A 79 -8.004 -11.071 10.052 1.00 0.00 H new ATOM 0 HA SER A 79 -6.933 -8.516 9.178 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.003 -9.818 11.919 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.791 -8.117 11.553 1.00 0.00 H new ATOM 0 HG SER A 79 -8.983 -8.623 12.140 1.00 0.00 H new ATOM 1254 N LEU A 80 -4.734 -9.868 8.554 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.327 -10.180 8.331 1.00 0.00 C ATOM 1256 C LEU A 80 -2.404 -9.229 9.100 1.00 0.00 C ATOM 1257 O LEU A 80 -2.689 -8.037 9.241 1.00 0.00 O ATOM 1258 CB LEU A 80 -2.975 -10.107 6.834 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.301 -11.388 6.053 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -4.791 -11.550 5.743 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -2.507 -11.411 4.745 1.00 0.00 C ATOM 0 H LEU A 80 -5.261 -9.748 7.689 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.173 -11.195 8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.514 -9.273 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.911 -9.892 6.731 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.018 -12.222 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.949 -12.476 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.355 -11.583 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.132 -10.706 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.741 -12.322 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.774 -10.543 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.440 -11.385 4.967 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.251 -9.754 9.510 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.102 -8.972 9.939 1.00 0.00 C ATOM 1275 C GLU A 81 0.536 -8.294 8.718 1.00 0.00 C ATOM 1276 O GLU A 81 0.995 -7.154 8.815 1.00 0.00 O ATOM 1277 CB GLU A 81 0.921 -9.891 10.627 1.00 0.00 C ATOM 1278 CG GLU A 81 0.430 -10.515 11.942 1.00 0.00 C ATOM 1279 CD GLU A 81 0.123 -9.460 13.021 1.00 0.00 C ATOM 1280 OE1 GLU A 81 1.064 -8.820 13.543 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -1.062 -9.273 13.378 1.00 0.00 O ATOM 0 H GLU A 81 -1.090 -10.760 9.553 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.422 -8.208 10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.193 -10.691 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.828 -9.320 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.467 -11.102 11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.187 -11.204 12.318 1.00 0.00 H new ATOM 1288 N GLY A 82 0.522 -8.970 7.566 1.00 0.00 N ATOM 1289 CA GLY A 82 0.968 -8.428 6.289 1.00 0.00 C ATOM 1290 C GLY A 82 2.437 -8.753 6.036 1.00 0.00 C ATOM 1291 O GLY A 82 3.204 -7.864 5.660 1.00 0.00 O ATOM 0 H GLY A 82 0.191 -9.933 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.358 -8.838 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.825 -7.348 6.279 1.00 0.00 H new ATOM 1295 N HIS A 83 2.847 -9.999 6.292 1.00 0.00 N ATOM 1296 CA HIS A 83 4.200 -10.470 6.029 1.00 0.00 C ATOM 1297 C HIS A 83 4.532 -10.354 4.533 1.00 0.00 C ATOM 1298 O HIS A 83 3.636 -10.374 3.683 1.00 0.00 O ATOM 1299 CB HIS A 83 4.332 -11.932 6.479 1.00 0.00 C ATOM 1300 CG HIS A 83 4.172 -12.168 7.957 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.981 -12.278 8.634 1.00 0.00 N ATOM 1302 CD2 HIS A 83 5.175 -12.413 8.857 1.00 0.00 C ATOM 1303 CE1 HIS A 83 3.256 -12.572 9.915 1.00 0.00 C ATOM 1304 NE2 HIS A 83 4.585 -12.664 10.102 1.00 0.00 N ATOM 0 H HIS A 83 2.238 -10.713 6.692 1.00 0.00 H new ATOM 0 HA HIS A 83 4.901 -9.851 6.588 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.587 -12.526 5.950 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.310 -12.302 6.173 1.00 0.00 H new ATOM 0 HD1 HIS A 83 2.051 -12.157 8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.234 -12.413 8.644 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.514 -12.715 10.687 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.067 -12.875 10.976 1.00 0.00 H new ATOM 1312 N HIS A 84 5.828 -10.294 4.205 1.00 0.00 N ATOM 1313 CA HIS A 84 6.340 -10.282 2.827 1.00 0.00 C ATOM 1314 C HIS A 84 7.422 -11.355 2.607 1.00 0.00 C ATOM 1315 O HIS A 84 7.860 -11.566 1.474 1.00 0.00 O ATOM 1316 CB HIS A 84 6.872 -8.880 2.471 1.00 0.00 C ATOM 1317 CG HIS A 84 5.841 -7.775 2.396 1.00 0.00 C ATOM 1318 ND1 HIS A 84 4.471 -7.894 2.498 1.00 0.00 N ATOM 1319 CD2 HIS A 84 6.106 -6.448 2.177 1.00 0.00 C ATOM 1320 CE1 HIS A 84 3.928 -6.674 2.361 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.888 -5.752 2.155 1.00 0.00 N ATOM 0 H HIS A 84 6.568 -10.251 4.906 1.00 0.00 H new ATOM 0 HA HIS A 84 5.512 -10.524 2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.622 -8.600 3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.381 -8.940 1.509 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.957 -8.762 2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.085 -6.013 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.870 -6.462 2.409 1.00 0.00 H new ATOM 1329 N ARG A 85 7.848 -12.052 3.668 1.00 0.00 N ATOM 1330 CA ARG A 85 8.781 -13.180 3.650 1.00 0.00 C ATOM 1331 C ARG A 85 8.268 -14.195 4.671 1.00 0.00 C ATOM 1332 O ARG A 85 7.345 -13.883 5.429 1.00 0.00 O ATOM 1333 CB ARG A 85 10.206 -12.714 4.013 1.00 0.00 C ATOM 1334 CG ARG A 85 10.821 -11.757 2.980 1.00 0.00 C ATOM 1335 CD ARG A 85 12.266 -11.408 3.354 1.00 0.00 C ATOM 1336 NE ARG A 85 12.871 -10.485 2.377 1.00 0.00 N ATOM 1337 CZ ARG A 85 14.107 -9.972 2.449 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.912 -10.279 3.465 1.00 0.00 N ATOM 1339 NH2 ARG A 85 14.533 -9.146 1.499 1.00 0.00 N ATOM 0 H ARG A 85 7.532 -11.830 4.612 1.00 0.00 H new ATOM 0 HA ARG A 85 8.834 -13.624 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.182 -12.220 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.850 -13.587 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.797 -12.217 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.225 -10.846 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.287 -10.955 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.859 -12.321 3.409 1.00 0.00 H new ATOM 0 HE ARG A 85 12.300 -10.213 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.590 -10.910 4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.851 -9.883 3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.920 -8.905 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.473 -8.753 1.549 1.00 0.00 H new ATOM 1353 N PHE A 86 8.847 -15.394 4.714 1.00 0.00 N ATOM 1354 CA PHE A 86 8.522 -16.401 5.716 1.00 0.00 C ATOM 1355 C PHE A 86 9.785 -16.661 6.535 1.00 0.00 C ATOM 1356 O PHE A 86 10.857 -16.790 5.937 1.00 0.00 O ATOM 1357 CB PHE A 86 7.975 -17.668 5.042 1.00 0.00 C ATOM 1358 CG PHE A 86 7.406 -18.669 6.027 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.262 -19.582 6.663 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.028 -18.693 6.317 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.759 -20.495 7.602 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.521 -19.599 7.265 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.389 -20.498 7.906 1.00 0.00 C ATOM 0 H PHE A 86 9.560 -15.693 4.049 1.00 0.00 H new ATOM 0 HA PHE A 86 7.735 -16.056 6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.199 -17.387 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.774 -18.142 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.316 -19.582 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.359 -18.014 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.424 -21.193 8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.467 -19.604 7.500 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.001 -21.194 8.635 1.00 0.00 H new ATOM 1373 N SER A 87 9.678 -16.735 7.867 1.00 0.00 N ATOM 1374 CA SER A 87 10.863 -16.745 8.733 1.00 0.00 C ATOM 1375 C SER A 87 10.753 -17.738 9.896 1.00 0.00 C ATOM 1376 O SER A 87 9.693 -17.897 10.503 1.00 0.00 O ATOM 1377 CB SER A 87 11.083 -15.329 9.286 1.00 0.00 C ATOM 1378 OG SER A 87 11.137 -14.361 8.246 1.00 0.00 O ATOM 0 H SER A 87 8.790 -16.788 8.366 1.00 0.00 H new ATOM 0 HA SER A 87 11.709 -17.068 8.126 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.277 -15.078 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.011 -15.301 9.857 1.00 0.00 H new ATOM 0 HG SER A 87 11.276 -13.472 8.634 1.00 0.00 H new ATOM 1384 N ILE A 88 11.874 -18.359 10.271 1.00 0.00 N ATOM 1385 CA ILE A 88 11.988 -19.068 11.540 1.00 0.00 C ATOM 1386 C ILE A 88 12.102 -17.998 12.637 1.00 0.00 C ATOM 1387 O ILE A 88 12.773 -16.977 12.455 1.00 0.00 O ATOM 1388 CB ILE A 88 13.194 -20.040 11.529 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.121 -21.018 10.329 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.234 -20.836 12.846 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.396 -21.832 10.093 1.00 0.00 C ATOM 0 H ILE A 88 12.722 -18.383 9.704 1.00 0.00 H new ATOM 0 HA ILE A 88 11.115 -19.694 11.724 1.00 0.00 H new ATOM 0 HB ILE A 88 14.104 -19.448 11.429 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.290 -21.706 10.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.896 -20.449 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.084 -21.518 12.833 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.334 -20.147 13.685 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.312 -21.407 12.954 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.255 -22.489 9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.229 -21.156 9.899 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.614 -22.432 10.977 1.00 0.00 H new ATOM 1403 N VAL A 89 11.457 -18.239 13.775 1.00 0.00 N ATOM 1404 CA VAL A 89 11.382 -17.365 14.935 1.00 0.00 C ATOM 1405 C VAL A 89 11.644 -18.248 16.169 1.00 0.00 C ATOM 1406 O VAL A 89 11.432 -19.464 16.133 1.00 0.00 O ATOM 1407 CB VAL A 89 10.004 -16.653 14.928 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.728 -15.836 16.199 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.879 -15.695 13.728 1.00 0.00 C ATOM 0 H VAL A 89 10.940 -19.107 13.917 1.00 0.00 H new ATOM 0 HA VAL A 89 12.125 -16.568 14.936 1.00 0.00 H new ATOM 0 HB VAL A 89 9.275 -17.461 14.866 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.747 -15.366 16.124 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.749 -16.495 17.067 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.491 -15.066 16.309 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.903 -15.210 13.749 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.661 -14.938 13.784 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.984 -16.258 12.801 1.00 0.00 H new