USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 8 ASN :FLIP amide:sc= -0.0798 F(o=-2,f=-0.08) USER MOD Set 1.2: A 19 GLN : amide:sc= 0 K(o=-0.08,f=-1.3!) USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -0.0664 (180deg=-0.437) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= -0.757 (180deg=-1.42) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0866) USER MOD Single : A 29 TYR OH : rot 148:sc= -0.557 USER MOD Single : A 32 SER OG : rot -35:sc= 0.706 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.18 F(o=-7!,f=-1.2) USER MOD Single : A 40 TYR OH : rot 170:sc= -0.544 USER MOD Single : A 41 SER OG : rot 159:sc= 0.18 USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= -0.842 (180deg=-1.38) USER MOD Single : A 47 THR OG1 : rot -41:sc= 0.185 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.148) USER MOD Single : A 57 CYS SG : rot 68:sc= -0.759 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0042 USER MOD Single : A 63 LYS NZ :NH3+ -104:sc= -3.76! (180deg=-6.64!) USER MOD Single : A 68 GLN : amide:sc= -0.0555 K(o=-0.055,f=-1.5!) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= -0.281 (180deg=-1.4!) USER MOD Single : A 72 HIS : no HD1:sc= -0.31! C(o=-0.31!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -16.098 12.045 13.113 1.00 0.00 N ATOM 2 CA GLU A 3 -16.506 11.922 11.682 1.00 0.00 C ATOM 3 C GLU A 3 -15.286 11.555 10.831 1.00 0.00 C ATOM 4 O GLU A 3 -14.822 12.340 10.029 1.00 0.00 O ATOM 5 CB GLU A 3 -17.066 13.260 11.192 1.00 0.00 C ATOM 6 CG GLU A 3 -18.413 13.543 11.861 1.00 0.00 C ATOM 7 CD GLU A 3 -18.197 13.901 13.334 1.00 0.00 C ATOM 8 OE1 GLU A 3 -17.079 14.250 13.681 1.00 0.00 O ATOM 9 OE2 GLU A 3 -19.154 13.824 14.088 1.00 0.00 O ATOM 0 HA GLU A 3 -17.267 11.147 11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.363 14.062 11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.187 13.238 10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.919 14.362 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.060 12.669 11.781 1.00 0.00 H new ATOM 16 N LYS A 4 -14.762 10.371 10.995 1.00 0.00 N ATOM 17 CA LYS A 4 -13.569 9.963 10.191 1.00 0.00 C ATOM 18 C LYS A 4 -14.020 9.486 8.802 1.00 0.00 C ATOM 19 O LYS A 4 -15.175 9.179 8.586 1.00 0.00 O ATOM 20 CB LYS A 4 -12.850 8.804 10.906 1.00 0.00 C ATOM 21 CG LYS A 4 -12.462 9.203 12.356 1.00 0.00 C ATOM 22 CD LYS A 4 -11.002 9.695 12.416 1.00 0.00 C ATOM 23 CE LYS A 4 -10.046 8.506 12.604 1.00 0.00 C ATOM 24 NZ LYS A 4 -10.205 7.947 13.975 1.00 0.00 N ATOM 0 H LYS A 4 -15.106 9.668 11.649 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.896 10.814 10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.497 7.927 10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.955 8.527 10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.130 9.987 12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.590 8.348 13.020 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.753 10.229 11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.882 10.400 13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.256 7.737 11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.016 8.827 12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.328 7.464 14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.405 8.718 14.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.993 7.268 13.984 1.00 0.00 H new ATOM 38 N ARG A 5 -13.110 9.400 7.862 1.00 0.00 N ATOM 39 CA ARG A 5 -13.484 8.915 6.495 1.00 0.00 C ATOM 40 C ARG A 5 -13.470 7.384 6.521 1.00 0.00 C ATOM 41 O ARG A 5 -12.806 6.778 7.339 1.00 0.00 O ATOM 42 CB ARG A 5 -12.464 9.428 5.450 1.00 0.00 C ATOM 43 CG ARG A 5 -12.942 10.739 4.796 1.00 0.00 C ATOM 44 CD ARG A 5 -13.355 11.763 5.861 1.00 0.00 C ATOM 45 NE ARG A 5 -12.445 11.672 7.031 1.00 0.00 N ATOM 46 CZ ARG A 5 -12.334 12.681 7.851 1.00 0.00 C ATOM 47 NH1 ARG A 5 -12.980 13.792 7.614 1.00 0.00 N ATOM 48 NH2 ARG A 5 -11.571 12.583 8.902 1.00 0.00 N ATOM 0 H ARG A 5 -12.127 9.644 7.981 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.472 9.286 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.499 9.590 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.315 8.669 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.146 11.153 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.785 10.535 4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.323 12.769 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.383 11.580 6.174 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.907 10.821 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.572 13.871 6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.892 14.580 8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.061 11.718 9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.483 13.371 9.544 1.00 0.00 H new ATOM 62 N ARG A 6 -14.208 6.751 5.645 1.00 0.00 N ATOM 63 CA ARG A 6 -14.243 5.256 5.640 1.00 0.00 C ATOM 64 C ARG A 6 -14.276 4.723 4.204 1.00 0.00 C ATOM 65 O ARG A 6 -14.632 5.416 3.272 1.00 0.00 O ATOM 66 CB ARG A 6 -15.501 4.791 6.377 1.00 0.00 C ATOM 67 CG ARG A 6 -15.471 5.308 7.828 1.00 0.00 C ATOM 68 CD ARG A 6 -16.281 4.380 8.731 1.00 0.00 C ATOM 69 NE ARG A 6 -17.513 3.925 8.014 1.00 0.00 N ATOM 70 CZ ARG A 6 -18.381 4.776 7.534 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.265 6.052 7.780 1.00 0.00 N ATOM 72 NH2 ARG A 6 -19.398 4.341 6.844 1.00 0.00 N ATOM 0 H ARG A 6 -14.786 7.202 4.936 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.348 4.876 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.391 5.160 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.558 3.703 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.441 5.365 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.879 6.318 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.677 3.519 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.554 4.899 9.650 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.680 2.926 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.492 6.393 8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.947 6.709 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.513 3.341 6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.078 5.001 6.467 1.00 0.00 H new ATOM 86 N ASP A 7 -13.918 3.479 4.032 1.00 0.00 N ATOM 87 CA ASP A 7 -13.938 2.862 2.676 1.00 0.00 C ATOM 88 C ASP A 7 -15.333 2.298 2.416 1.00 0.00 C ATOM 89 O ASP A 7 -16.162 2.240 3.303 1.00 0.00 O ATOM 90 CB ASP A 7 -12.916 1.726 2.622 1.00 0.00 C ATOM 91 CG ASP A 7 -11.512 2.307 2.748 1.00 0.00 C ATOM 92 OD1 ASP A 7 -11.369 3.498 2.531 1.00 0.00 O ATOM 93 OD2 ASP A 7 -10.607 1.551 3.065 1.00 0.00 O ATOM 0 H ASP A 7 -13.610 2.859 4.781 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.690 3.609 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.102 1.015 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.013 1.178 1.685 1.00 0.00 H new ATOM 98 N ASN A 8 -15.608 1.877 1.217 1.00 0.00 N ATOM 99 CA ASN A 8 -16.955 1.317 0.935 1.00 0.00 C ATOM 100 C ASN A 8 -17.152 0.044 1.766 1.00 0.00 C ATOM 101 O ASN A 8 -18.207 -0.555 1.754 1.00 0.00 O ATOM 102 CB ASN A 8 -17.087 1.005 -0.565 1.00 0.00 C ATOM 103 CG ASN A 8 -16.033 -0.020 -0.983 1.00 0.00 C ATOM 104 OD1 ASN A 8 -14.820 0.381 -1.259 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -16.316 -1.200 -1.062 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.965 1.896 0.426 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.721 2.044 1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.084 0.620 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.967 1.919 -1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.263 -1.513 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.607 -1.877 -1.344 1.00 0.00 H new ATOM 112 N ARG A 9 -16.139 -0.373 2.495 1.00 0.00 N ATOM 113 CA ARG A 9 -16.255 -1.609 3.332 1.00 0.00 C ATOM 114 C ARG A 9 -16.451 -1.242 4.810 1.00 0.00 C ATOM 115 O ARG A 9 -16.745 -2.095 5.626 1.00 0.00 O ATOM 116 CB ARG A 9 -14.952 -2.419 3.216 1.00 0.00 C ATOM 117 CG ARG A 9 -14.731 -2.907 1.765 1.00 0.00 C ATOM 118 CD ARG A 9 -15.144 -4.384 1.614 1.00 0.00 C ATOM 119 NE ARG A 9 -16.485 -4.629 2.223 1.00 0.00 N ATOM 120 CZ ARG A 9 -17.160 -5.689 1.871 1.00 0.00 C ATOM 121 NH1 ARG A 9 -16.641 -6.529 1.021 1.00 0.00 N ATOM 122 NH2 ARG A 9 -18.340 -5.917 2.375 1.00 0.00 N ATOM 0 H ARG A 9 -15.234 0.094 2.544 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.110 -2.186 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.108 -1.804 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.990 -3.275 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.310 -2.291 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.682 -2.789 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.165 -4.653 0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.401 -5.024 2.091 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.869 -3.976 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.713 -6.356 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.163 -7.360 0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.741 -5.265 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.862 -6.747 2.095 1.00 0.00 H new ATOM 136 N GLY A 10 -16.269 0.004 5.175 1.00 0.00 N ATOM 137 CA GLY A 10 -16.419 0.395 6.612 1.00 0.00 C ATOM 138 C GLY A 10 -15.035 0.411 7.264 1.00 0.00 C ATOM 139 O GLY A 10 -14.900 0.613 8.455 1.00 0.00 O ATOM 0 H GLY A 10 -16.024 0.765 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.884 1.378 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.072 -0.309 7.129 1.00 0.00 H new ATOM 143 N ARG A 11 -14.003 0.195 6.490 1.00 0.00 N ATOM 144 CA ARG A 11 -12.625 0.189 7.060 1.00 0.00 C ATOM 145 C ARG A 11 -12.084 1.612 7.100 1.00 0.00 C ATOM 146 O ARG A 11 -12.115 2.328 6.118 1.00 0.00 O ATOM 147 CB ARG A 11 -11.690 -0.654 6.185 1.00 0.00 C ATOM 148 CG ARG A 11 -12.149 -2.113 6.181 1.00 0.00 C ATOM 149 CD ARG A 11 -11.032 -3.013 5.617 1.00 0.00 C ATOM 150 NE ARG A 11 -11.629 -4.141 4.844 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.620 -4.847 5.328 1.00 0.00 C ATOM 152 NH1 ARG A 11 -13.018 -4.676 6.557 1.00 0.00 N ATOM 153 NH2 ARG A 11 -13.178 -5.770 4.595 1.00 0.00 N ATOM 0 H ARG A 11 -14.056 0.022 5.486 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.669 -0.232 8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.682 -0.264 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.669 -0.587 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.404 -2.426 7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.051 -2.218 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.373 -2.429 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.421 -3.402 6.431 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.258 -4.366 3.921 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.557 -3.987 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.791 -5.231 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.842 -5.941 3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.950 -6.321 4.970 1.00 0.00 H new ATOM 167 N ILE A 12 -11.568 2.022 8.221 1.00 0.00 N ATOM 168 CA ILE A 12 -11.003 3.395 8.314 1.00 0.00 C ATOM 169 C ILE A 12 -9.550 3.356 7.837 1.00 0.00 C ATOM 170 O ILE A 12 -8.681 2.817 8.494 1.00 0.00 O ATOM 171 CB ILE A 12 -11.047 3.887 9.766 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.470 3.742 10.308 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.636 5.363 9.819 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.513 4.134 11.782 1.00 0.00 C ATOM 0 H ILE A 12 -11.512 1.468 9.076 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.589 4.074 7.695 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.361 3.294 10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.151 4.372 9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.810 2.714 10.187 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.667 5.713 10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.624 5.473 9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.324 5.954 9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.531 4.027 12.157 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.846 3.486 12.351 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.193 5.170 11.892 1.00 0.00 H new ATOM 186 N LEU A 13 -9.277 3.942 6.706 1.00 0.00 N ATOM 187 CA LEU A 13 -7.878 3.964 6.190 1.00 0.00 C ATOM 188 C LEU A 13 -7.165 5.174 6.809 1.00 0.00 C ATOM 189 O LEU A 13 -7.785 6.163 7.148 1.00 0.00 O ATOM 190 CB LEU A 13 -7.893 4.055 4.649 1.00 0.00 C ATOM 191 CG LEU A 13 -9.173 4.746 4.155 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.289 6.154 4.755 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.114 4.847 2.627 1.00 0.00 C ATOM 0 H LEU A 13 -9.964 4.409 6.114 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.348 3.051 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.020 4.609 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.826 3.055 4.221 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.041 4.164 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.201 6.629 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.321 6.085 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.427 6.750 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.016 5.336 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.241 5.430 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.043 3.847 2.199 1.00 0.00 H new ATOM 205 N LYS A 14 -5.872 5.097 7.002 1.00 0.00 N ATOM 206 CA LYS A 14 -5.144 6.242 7.645 1.00 0.00 C ATOM 207 C LYS A 14 -4.668 7.247 6.588 1.00 0.00 C ATOM 208 O LYS A 14 -4.893 7.090 5.405 1.00 0.00 O ATOM 209 CB LYS A 14 -3.916 5.737 8.424 1.00 0.00 C ATOM 210 CG LYS A 14 -4.282 4.536 9.312 1.00 0.00 C ATOM 211 CD LYS A 14 -4.923 5.008 10.631 1.00 0.00 C ATOM 212 CE LYS A 14 -3.840 5.307 11.676 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.490 5.804 12.924 1.00 0.00 N ATOM 0 H LYS A 14 -5.290 4.299 6.746 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.840 6.729 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.130 5.451 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.516 6.542 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.973 3.882 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.388 3.950 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.521 5.901 10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.600 4.241 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.261 4.407 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.143 6.052 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.761 6.009 13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.024 6.672 12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.139 5.078 13.290 1.00 0.00 H new ATOM 227 N THR A 15 -4.008 8.281 7.035 1.00 0.00 N ATOM 228 CA THR A 15 -3.483 9.339 6.118 1.00 0.00 C ATOM 229 C THR A 15 -2.626 8.709 5.008 1.00 0.00 C ATOM 230 O THR A 15 -2.061 7.647 5.179 1.00 0.00 O ATOM 231 CB THR A 15 -2.628 10.311 6.942 1.00 0.00 C ATOM 232 OG1 THR A 15 -3.287 10.590 8.172 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.424 11.613 6.168 1.00 0.00 C ATOM 0 H THR A 15 -3.805 8.442 8.022 1.00 0.00 H new ATOM 0 HA THR A 15 -4.315 9.866 5.651 1.00 0.00 H new ATOM 0 HB THR A 15 -1.657 9.857 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.743 11.209 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.816 12.297 6.760 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.918 11.401 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.392 12.071 5.965 1.00 0.00 H new ATOM 241 N GLY A 16 -2.519 9.365 3.878 1.00 0.00 N ATOM 242 CA GLY A 16 -1.689 8.821 2.762 1.00 0.00 C ATOM 243 C GLY A 16 -2.502 7.837 1.920 1.00 0.00 C ATOM 244 O GLY A 16 -2.392 7.809 0.712 1.00 0.00 O ATOM 0 H GLY A 16 -2.973 10.257 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.333 9.638 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.808 8.322 3.166 1.00 0.00 H new ATOM 248 N GLU A 17 -3.311 7.027 2.539 1.00 0.00 N ATOM 249 CA GLU A 17 -4.116 6.045 1.760 1.00 0.00 C ATOM 250 C GLU A 17 -5.287 6.763 1.088 1.00 0.00 C ATOM 251 O GLU A 17 -5.577 7.908 1.378 1.00 0.00 O ATOM 252 CB GLU A 17 -4.621 4.955 2.710 1.00 0.00 C ATOM 253 CG GLU A 17 -3.457 4.030 3.080 1.00 0.00 C ATOM 254 CD GLU A 17 -3.965 2.864 3.933 1.00 0.00 C ATOM 255 OE1 GLU A 17 -4.718 3.112 4.860 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.589 1.741 3.642 1.00 0.00 O ATOM 0 H GLU A 17 -3.451 7.001 3.549 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.504 5.585 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.043 5.406 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.419 4.383 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.982 3.650 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.698 4.588 3.628 1.00 0.00 H new ATOM 263 N SER A 18 -5.949 6.105 0.175 1.00 0.00 N ATOM 264 CA SER A 18 -7.087 6.752 -0.531 1.00 0.00 C ATOM 265 C SER A 18 -8.003 5.683 -1.129 1.00 0.00 C ATOM 266 O SER A 18 -7.617 4.542 -1.296 1.00 0.00 O ATOM 267 CB SER A 18 -6.550 7.633 -1.660 1.00 0.00 C ATOM 268 OG SER A 18 -7.637 8.284 -2.306 1.00 0.00 O ATOM 0 H SER A 18 -5.749 5.147 -0.111 1.00 0.00 H new ATOM 0 HA SER A 18 -7.649 7.358 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.854 8.371 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.996 7.027 -2.377 1.00 0.00 H new ATOM 0 HG SER A 18 -7.296 8.851 -3.029 1.00 0.00 H new ATOM 274 N GLN A 19 -9.216 6.050 -1.461 1.00 0.00 N ATOM 275 CA GLN A 19 -10.173 5.074 -2.063 1.00 0.00 C ATOM 276 C GLN A 19 -10.286 5.357 -3.563 1.00 0.00 C ATOM 277 O GLN A 19 -10.359 6.492 -3.990 1.00 0.00 O ATOM 278 CB GLN A 19 -11.547 5.249 -1.411 1.00 0.00 C ATOM 279 CG GLN A 19 -12.451 4.081 -1.807 1.00 0.00 C ATOM 280 CD GLN A 19 -13.884 4.372 -1.358 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.125 5.315 -0.632 1.00 0.00 O ATOM 282 NE2 GLN A 19 -14.852 3.594 -1.760 1.00 0.00 N ATOM 0 H GLN A 19 -9.586 6.993 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.820 4.056 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.444 5.292 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.994 6.192 -1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.420 3.932 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.095 3.159 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.650 2.802 -2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.811 3.778 -1.464 1.00 0.00 H new ATOM 291 N ARG A 20 -10.309 4.334 -4.371 1.00 0.00 N ATOM 292 CA ARG A 20 -10.429 4.545 -5.841 1.00 0.00 C ATOM 293 C ARG A 20 -11.912 4.579 -6.222 1.00 0.00 C ATOM 294 O ARG A 20 -12.758 4.043 -5.532 1.00 0.00 O ATOM 295 CB ARG A 20 -9.727 3.398 -6.578 1.00 0.00 C ATOM 296 CG ARG A 20 -9.547 3.739 -8.085 1.00 0.00 C ATOM 297 CD ARG A 20 -8.095 4.135 -8.377 1.00 0.00 C ATOM 298 NE ARG A 20 -7.747 5.389 -7.628 1.00 0.00 N ATOM 299 CZ ARG A 20 -8.321 6.530 -7.895 1.00 0.00 C ATOM 300 NH1 ARG A 20 -9.188 6.622 -8.871 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.012 7.594 -7.198 1.00 0.00 N ATOM 0 H ARG A 20 -10.250 3.359 -4.077 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.961 5.489 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.754 3.210 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.310 2.483 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.825 2.879 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.215 4.555 -8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.423 3.328 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.960 4.291 -9.447 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.043 5.348 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.418 5.799 -9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.633 7.517 -9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.324 7.530 -6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.459 8.487 -7.405 1.00 0.00 H new ATOM 315 N LYS A 21 -12.233 5.199 -7.315 1.00 0.00 N ATOM 316 CA LYS A 21 -13.649 5.266 -7.750 1.00 0.00 C ATOM 317 C LYS A 21 -14.233 3.852 -7.808 1.00 0.00 C ATOM 318 O LYS A 21 -15.373 3.625 -7.455 1.00 0.00 O ATOM 319 CB LYS A 21 -13.697 5.892 -9.144 1.00 0.00 C ATOM 320 CG LYS A 21 -13.031 4.943 -10.149 1.00 0.00 C ATOM 321 CD LYS A 21 -12.672 5.704 -11.424 1.00 0.00 C ATOM 322 CE LYS A 21 -13.925 6.374 -11.992 1.00 0.00 C ATOM 323 NZ LYS A 21 -15.062 5.412 -11.955 1.00 0.00 N ATOM 0 H LYS A 21 -11.569 5.667 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.229 5.865 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.730 6.081 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.185 6.854 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.133 4.507 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.704 4.118 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.911 6.455 -11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.247 5.021 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.169 7.264 -11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.744 6.700 -13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.716 5.618 -12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.700 4.442 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.565 5.504 -11.049 1.00 0.00 H new ATOM 337 N ASP A 22 -13.463 2.899 -8.263 1.00 0.00 N ATOM 338 CA ASP A 22 -13.994 1.499 -8.355 1.00 0.00 C ATOM 339 C ASP A 22 -13.857 0.784 -7.002 1.00 0.00 C ATOM 340 O ASP A 22 -14.681 -0.042 -6.655 1.00 0.00 O ATOM 341 CB ASP A 22 -13.241 0.721 -9.443 1.00 0.00 C ATOM 342 CG ASP A 22 -11.743 0.703 -9.134 1.00 0.00 C ATOM 343 OD1 ASP A 22 -11.375 1.142 -8.063 1.00 0.00 O ATOM 344 OD2 ASP A 22 -10.989 0.254 -9.980 1.00 0.00 O ATOM 0 H ASP A 22 -12.499 3.023 -8.573 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.051 1.543 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.621 -0.299 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.414 1.181 -10.416 1.00 0.00 H new ATOM 349 N GLY A 23 -12.856 1.112 -6.211 1.00 0.00 N ATOM 350 CA GLY A 23 -12.718 0.459 -4.862 1.00 0.00 C ATOM 351 C GLY A 23 -11.274 0.018 -4.564 1.00 0.00 C ATOM 352 O GLY A 23 -10.905 -0.108 -3.413 1.00 0.00 O ATOM 0 H GLY A 23 -12.135 1.797 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.048 1.154 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.376 -0.408 -4.813 1.00 0.00 H new ATOM 356 N ARG A 24 -10.446 -0.232 -5.548 1.00 0.00 N ATOM 357 CA ARG A 24 -9.059 -0.667 -5.201 1.00 0.00 C ATOM 358 C ARG A 24 -8.437 0.419 -4.321 1.00 0.00 C ATOM 359 O ARG A 24 -8.747 1.583 -4.448 1.00 0.00 O ATOM 360 CB ARG A 24 -8.195 -0.904 -6.464 1.00 0.00 C ATOM 361 CG ARG A 24 -8.751 -0.120 -7.649 1.00 0.00 C ATOM 362 CD ARG A 24 -7.812 -0.288 -8.840 1.00 0.00 C ATOM 363 NE ARG A 24 -8.292 0.549 -9.973 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.497 0.811 -10.973 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.256 0.407 -10.943 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.939 1.489 -11.995 1.00 0.00 N ATOM 0 H ARG A 24 -10.659 -0.157 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.100 -1.618 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.166 -0.600 -6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.173 -1.967 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.749 -0.478 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.847 0.935 -7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.799 0.004 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.771 -1.335 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.243 0.918 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.908 -0.113 -10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.634 0.612 -11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.906 1.814 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.318 1.695 -12.778 1.00 0.00 H new ATOM 380 N TYR A 25 -7.589 0.045 -3.405 1.00 0.00 N ATOM 381 CA TYR A 25 -6.981 1.055 -2.498 1.00 0.00 C ATOM 382 C TYR A 25 -5.749 1.678 -3.154 1.00 0.00 C ATOM 383 O TYR A 25 -5.287 1.225 -4.183 1.00 0.00 O ATOM 384 CB TYR A 25 -6.602 0.359 -1.195 1.00 0.00 C ATOM 385 CG TYR A 25 -7.825 -0.338 -0.657 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.824 0.405 -0.021 1.00 0.00 C ATOM 387 CD2 TYR A 25 -7.971 -1.723 -0.811 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.970 -0.236 0.465 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.116 -2.365 -0.329 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.117 -1.622 0.308 1.00 0.00 C ATOM 391 OH TYR A 25 -11.250 -2.252 0.782 1.00 0.00 O ATOM 0 H TYR A 25 -7.291 -0.917 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.692 1.856 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.801 -0.360 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.229 1.084 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.712 1.473 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.198 -2.295 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.740 0.336 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.228 -3.433 -0.448 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.195 -3.212 0.592 1.00 0.00 H new ATOM 401 N LEU A 26 -5.221 2.729 -2.580 1.00 0.00 N ATOM 402 CA LEU A 26 -4.032 3.394 -3.190 1.00 0.00 C ATOM 403 C LEU A 26 -3.211 4.100 -2.094 1.00 0.00 C ATOM 404 O LEU A 26 -3.733 4.870 -1.313 1.00 0.00 O ATOM 405 CB LEU A 26 -4.550 4.388 -4.267 1.00 0.00 C ATOM 406 CG LEU A 26 -3.785 5.729 -4.257 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.261 5.491 -4.408 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.307 6.603 -5.410 1.00 0.00 C ATOM 0 H LEU A 26 -5.561 3.154 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.369 2.670 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.459 3.930 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.610 4.578 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.950 6.235 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.740 6.449 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.905 4.876 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.064 4.980 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.775 7.554 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.143 6.091 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.373 6.784 -5.275 1.00 0.00 H new ATOM 420 N TYR A 27 -1.921 3.845 -2.051 1.00 0.00 N ATOM 421 CA TYR A 27 -1.031 4.495 -1.028 1.00 0.00 C ATOM 422 C TYR A 27 0.205 5.077 -1.730 1.00 0.00 C ATOM 423 O TYR A 27 0.507 4.728 -2.854 1.00 0.00 O ATOM 424 CB TYR A 27 -0.599 3.458 0.010 1.00 0.00 C ATOM 425 CG TYR A 27 0.335 4.095 1.010 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.167 4.993 1.958 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.700 3.783 0.995 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.694 5.579 2.894 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.560 4.369 1.928 1.00 0.00 C ATOM 430 CZ TYR A 27 2.060 5.265 2.877 1.00 0.00 C ATOM 431 OH TYR A 27 2.916 5.837 3.794 1.00 0.00 O ATOM 0 H TYR A 27 -1.442 3.208 -2.687 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.573 5.296 -0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.474 3.055 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.104 2.621 -0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.220 5.235 1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.088 3.090 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.307 6.271 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.613 4.129 1.916 1.00 0.00 H new ATOM 0 HH TYR A 27 3.827 5.509 3.641 1.00 0.00 H new ATOM 441 N LYS A 28 0.908 5.975 -1.077 1.00 0.00 N ATOM 442 CA LYS A 28 2.119 6.618 -1.698 1.00 0.00 C ATOM 443 C LYS A 28 3.352 6.383 -0.813 1.00 0.00 C ATOM 444 O LYS A 28 3.306 6.551 0.389 1.00 0.00 O ATOM 445 CB LYS A 28 1.858 8.133 -1.804 1.00 0.00 C ATOM 446 CG LYS A 28 2.984 8.820 -2.594 1.00 0.00 C ATOM 447 CD LYS A 28 2.977 10.334 -2.308 1.00 0.00 C ATOM 448 CE LYS A 28 3.953 11.055 -3.256 1.00 0.00 C ATOM 449 NZ LYS A 28 4.492 12.280 -2.593 1.00 0.00 N ATOM 0 H LYS A 28 0.694 6.294 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 28 2.302 6.187 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.901 8.310 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.789 8.567 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.948 8.393 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.852 8.642 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.971 10.732 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.261 10.518 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.771 10.387 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.443 11.326 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.984 12.867 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.709 12.822 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.159 12.004 -1.844 1.00 0.00 H new ATOM 463 N TYR A 29 4.462 6.019 -1.407 1.00 0.00 N ATOM 464 CA TYR A 29 5.712 5.800 -0.617 1.00 0.00 C ATOM 465 C TYR A 29 6.899 6.332 -1.441 1.00 0.00 C ATOM 466 O TYR A 29 6.781 6.572 -2.626 1.00 0.00 O ATOM 467 CB TYR A 29 5.871 4.302 -0.280 1.00 0.00 C ATOM 468 CG TYR A 29 6.442 3.534 -1.453 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.675 3.349 -2.605 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.737 3.001 -1.380 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.202 2.636 -3.687 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.265 2.290 -2.458 1.00 0.00 C ATOM 473 CZ TYR A 29 7.498 2.107 -3.617 1.00 0.00 C ATOM 474 OH TYR A 29 8.019 1.406 -4.689 1.00 0.00 O ATOM 0 H TYR A 29 4.556 5.864 -2.411 1.00 0.00 H new ATOM 0 HA TYR A 29 5.670 6.336 0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.525 4.189 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.903 3.884 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.676 3.756 -2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.327 3.141 -0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.609 2.493 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.263 1.881 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 29 8.988 1.545 -4.731 1.00 0.00 H new ATOM 484 N ILE A 30 8.024 6.552 -0.815 1.00 0.00 N ATOM 485 CA ILE A 30 9.214 7.108 -1.542 1.00 0.00 C ATOM 486 C ILE A 30 10.222 5.987 -1.807 1.00 0.00 C ATOM 487 O ILE A 30 10.587 5.260 -0.904 1.00 0.00 O ATOM 488 CB ILE A 30 9.853 8.161 -0.637 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.765 9.108 -0.114 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.905 8.956 -1.409 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.954 9.691 -1.281 1.00 0.00 C ATOM 0 H ILE A 30 8.176 6.370 0.177 1.00 0.00 H new ATOM 0 HA ILE A 30 8.914 7.544 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 30 10.340 7.663 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.102 8.571 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.222 9.915 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.352 9.702 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.680 8.280 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.435 9.454 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.187 10.360 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.618 10.246 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.481 8.881 -1.836 1.00 0.00 H new ATOM 503 N ASP A 31 10.699 5.835 -3.027 1.00 0.00 N ATOM 504 CA ASP A 31 11.690 4.749 -3.288 1.00 0.00 C ATOM 505 C ASP A 31 13.098 5.284 -3.031 1.00 0.00 C ATOM 506 O ASP A 31 13.279 6.426 -2.660 1.00 0.00 O ATOM 507 CB ASP A 31 11.566 4.230 -4.726 1.00 0.00 C ATOM 508 CG ASP A 31 10.198 3.571 -4.907 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.284 3.952 -4.194 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.085 2.699 -5.753 1.00 0.00 O ATOM 0 H ASP A 31 10.447 6.406 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 31 11.490 3.914 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.684 5.051 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.359 3.512 -4.936 1.00 0.00 H new ATOM 515 N SER A 32 14.091 4.461 -3.207 1.00 0.00 N ATOM 516 CA SER A 32 15.497 4.899 -2.957 1.00 0.00 C ATOM 517 C SER A 32 15.859 6.120 -3.803 1.00 0.00 C ATOM 518 O SER A 32 16.948 6.645 -3.697 1.00 0.00 O ATOM 519 CB SER A 32 16.443 3.760 -3.316 1.00 0.00 C ATOM 520 OG SER A 32 17.785 4.177 -3.099 1.00 0.00 O ATOM 0 H SER A 32 13.991 3.494 -3.516 1.00 0.00 H new ATOM 0 HA SER A 32 15.589 5.166 -1.904 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.220 2.882 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.304 3.471 -4.358 1.00 0.00 H new ATOM 0 HG SER A 32 17.873 5.126 -3.326 1.00 0.00 H new ATOM 526 N PHE A 33 14.979 6.565 -4.658 1.00 0.00 N ATOM 527 CA PHE A 33 15.312 7.732 -5.528 1.00 0.00 C ATOM 528 C PHE A 33 14.775 9.027 -4.915 1.00 0.00 C ATOM 529 O PHE A 33 15.022 10.102 -5.421 1.00 0.00 O ATOM 530 CB PHE A 33 14.687 7.509 -6.903 1.00 0.00 C ATOM 531 CG PHE A 33 15.181 6.186 -7.438 1.00 0.00 C ATOM 532 CD1 PHE A 33 14.606 4.993 -6.985 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.210 6.151 -8.383 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.059 3.764 -7.475 1.00 0.00 C ATOM 535 CE2 PHE A 33 16.666 4.922 -8.874 1.00 0.00 C ATOM 536 CZ PHE A 33 16.090 3.728 -8.420 1.00 0.00 C ATOM 0 H PHE A 33 14.047 6.174 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 33 16.395 7.821 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.599 7.507 -6.830 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.960 8.318 -7.580 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.810 5.022 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.653 7.071 -8.734 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.614 2.845 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.462 4.894 -9.603 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.442 2.780 -8.800 1.00 0.00 H new ATOM 546 N GLY A 34 14.051 8.947 -3.829 1.00 0.00 N ATOM 547 CA GLY A 34 13.523 10.200 -3.210 1.00 0.00 C ATOM 548 C GLY A 34 12.372 10.708 -4.073 1.00 0.00 C ATOM 549 O GLY A 34 11.888 11.811 -3.920 1.00 0.00 O ATOM 0 H GLY A 34 13.805 8.081 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.180 10.007 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.309 10.952 -3.143 1.00 0.00 H new ATOM 553 N GLU A 35 11.953 9.893 -4.995 1.00 0.00 N ATOM 554 CA GLU A 35 10.854 10.259 -5.923 1.00 0.00 C ATOM 555 C GLU A 35 9.490 9.877 -5.307 1.00 0.00 C ATOM 556 O GLU A 35 9.433 9.102 -4.376 1.00 0.00 O ATOM 557 CB GLU A 35 11.100 9.476 -7.228 1.00 0.00 C ATOM 558 CG GLU A 35 10.767 7.964 -7.073 1.00 0.00 C ATOM 559 CD GLU A 35 10.952 7.460 -5.634 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.049 7.558 -5.114 1.00 0.00 O ATOM 561 OE2 GLU A 35 9.989 6.950 -5.087 1.00 0.00 O ATOM 0 H GLU A 35 12.339 8.961 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 35 10.836 11.332 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.491 9.901 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.142 9.589 -7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.737 7.789 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.405 7.385 -7.741 1.00 0.00 H new ATOM 568 N PRO A 36 8.388 10.387 -5.815 1.00 0.00 N ATOM 569 CA PRO A 36 7.043 10.025 -5.293 1.00 0.00 C ATOM 570 C PRO A 36 6.482 8.830 -6.066 1.00 0.00 C ATOM 571 O PRO A 36 6.373 8.879 -7.274 1.00 0.00 O ATOM 572 CB PRO A 36 6.229 11.284 -5.568 1.00 0.00 C ATOM 573 CG PRO A 36 6.800 11.834 -6.843 1.00 0.00 C ATOM 574 CD PRO A 36 8.271 11.364 -6.921 1.00 0.00 C ATOM 0 HA PRO A 36 7.039 9.733 -4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.169 11.055 -5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.319 12.001 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.235 11.477 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.742 12.922 -6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.494 10.906 -7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.964 12.196 -6.795 1.00 0.00 H new ATOM 582 N GLN A 37 6.147 7.747 -5.393 1.00 0.00 N ATOM 583 CA GLN A 37 5.623 6.539 -6.110 1.00 0.00 C ATOM 584 C GLN A 37 4.243 6.165 -5.554 1.00 0.00 C ATOM 585 O GLN A 37 3.822 6.657 -4.524 1.00 0.00 O ATOM 586 CB GLN A 37 6.627 5.384 -5.910 1.00 0.00 C ATOM 587 CG GLN A 37 6.786 4.578 -7.205 1.00 0.00 C ATOM 588 CD GLN A 37 7.590 5.400 -8.211 1.00 0.00 C ATOM 589 OE1 GLN A 37 7.727 6.686 -8.019 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.101 4.869 -9.176 1.00 0.00 N flip ATOM 0 H GLN A 37 6.215 7.651 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 37 5.513 6.744 -7.175 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.593 5.784 -5.603 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.283 4.731 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.292 3.634 -7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.807 4.332 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.992 3.866 -9.323 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.639 5.426 -9.840 1.00 0.00 H new ATOM 599 N PHE A 38 3.528 5.315 -6.249 1.00 0.00 N ATOM 600 CA PHE A 38 2.161 4.923 -5.794 1.00 0.00 C ATOM 601 C PHE A 38 1.965 3.408 -5.927 1.00 0.00 C ATOM 602 O PHE A 38 2.486 2.775 -6.826 1.00 0.00 O ATOM 603 CB PHE A 38 1.146 5.647 -6.677 1.00 0.00 C ATOM 604 CG PHE A 38 1.358 7.141 -6.575 1.00 0.00 C ATOM 605 CD1 PHE A 38 0.741 7.866 -5.549 1.00 0.00 C ATOM 606 CD2 PHE A 38 2.170 7.805 -7.508 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.934 9.249 -5.455 1.00 0.00 C ATOM 608 CE2 PHE A 38 2.362 9.189 -7.413 1.00 0.00 C ATOM 609 CZ PHE A 38 1.741 9.911 -6.386 1.00 0.00 C ATOM 0 H PHE A 38 3.835 4.874 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 38 2.028 5.195 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.254 5.324 -7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.132 5.392 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.116 7.358 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.647 7.248 -8.300 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.459 9.806 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.988 9.699 -8.131 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.885 10.979 -6.313 1.00 0.00 H new ATOM 619 N VAL A 39 1.204 2.834 -5.027 1.00 0.00 N ATOM 620 CA VAL A 39 0.933 1.367 -5.051 1.00 0.00 C ATOM 621 C VAL A 39 -0.592 1.159 -5.082 1.00 0.00 C ATOM 622 O VAL A 39 -1.337 1.954 -4.542 1.00 0.00 O ATOM 623 CB VAL A 39 1.517 0.754 -3.773 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.023 0.530 -3.936 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.281 1.720 -2.617 1.00 0.00 C ATOM 0 H VAL A 39 0.751 3.334 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 39 1.384 0.895 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 39 1.034 -0.203 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.427 0.094 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.202 -0.147 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.514 1.484 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.691 1.297 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.772 2.670 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.211 1.885 -2.493 1.00 0.00 H new ATOM 635 N TYR A 40 -1.064 0.107 -5.717 1.00 0.00 N ATOM 636 CA TYR A 40 -2.546 -0.150 -5.792 1.00 0.00 C ATOM 637 C TYR A 40 -2.843 -1.614 -5.434 1.00 0.00 C ATOM 638 O TYR A 40 -2.013 -2.487 -5.598 1.00 0.00 O ATOM 639 CB TYR A 40 -3.045 0.113 -7.223 1.00 0.00 C ATOM 640 CG TYR A 40 -3.052 1.596 -7.519 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.858 2.265 -7.801 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.262 2.299 -7.524 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.873 3.637 -8.086 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.280 3.667 -7.807 1.00 0.00 C ATOM 645 CZ TYR A 40 -3.085 4.340 -8.090 1.00 0.00 C ATOM 646 OH TYR A 40 -3.101 5.693 -8.371 1.00 0.00 O ATOM 0 H TYR A 40 -0.485 -0.588 -6.189 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.052 0.513 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.404 -0.403 -7.938 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.050 -0.292 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.923 1.724 -7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.185 1.782 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.949 4.153 -8.303 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.216 4.206 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.027 5.992 -8.489 1.00 0.00 H new ATOM 656 N SER A 41 -4.032 -1.895 -4.966 1.00 0.00 N ATOM 657 CA SER A 41 -4.385 -3.307 -4.627 1.00 0.00 C ATOM 658 C SER A 41 -5.878 -3.402 -4.298 1.00 0.00 C ATOM 659 O SER A 41 -6.512 -2.428 -3.943 1.00 0.00 O ATOM 660 CB SER A 41 -3.567 -3.791 -3.429 1.00 0.00 C ATOM 661 OG SER A 41 -3.905 -5.144 -3.142 1.00 0.00 O ATOM 0 H SER A 41 -4.771 -1.211 -4.804 1.00 0.00 H new ATOM 0 HA SER A 41 -4.158 -3.938 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.502 -3.708 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.766 -3.163 -2.561 1.00 0.00 H new ATOM 0 HG SER A 41 -3.181 -5.560 -2.629 1.00 0.00 H new ATOM 667 N TRP A 42 -6.443 -4.574 -4.417 1.00 0.00 N ATOM 668 CA TRP A 42 -7.894 -4.755 -4.118 1.00 0.00 C ATOM 669 C TRP A 42 -8.058 -5.156 -2.649 1.00 0.00 C ATOM 670 O TRP A 42 -9.117 -5.574 -2.225 1.00 0.00 O ATOM 671 CB TRP A 42 -8.452 -5.859 -5.031 1.00 0.00 C ATOM 672 CG TRP A 42 -8.802 -5.296 -6.365 1.00 0.00 C ATOM 673 CD1 TRP A 42 -8.020 -5.352 -7.463 1.00 0.00 C ATOM 674 CD2 TRP A 42 -10.021 -4.606 -6.756 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.684 -4.734 -8.505 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.920 -4.256 -8.118 1.00 0.00 C ATOM 677 CE3 TRP A 42 -11.191 -4.248 -6.063 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.947 -3.579 -8.775 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.227 -3.569 -6.718 1.00 0.00 C ATOM 680 CH2 TRP A 42 -12.105 -3.232 -8.071 1.00 0.00 C ATOM 0 H TRP A 42 -5.957 -5.421 -4.711 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.437 -3.827 -4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.714 -6.653 -5.146 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.335 -6.307 -4.574 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.041 -5.804 -7.518 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.306 -4.642 -9.448 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.292 -4.498 -5.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.849 -3.324 -9.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.123 -3.305 -6.177 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.904 -2.705 -8.571 1.00 0.00 H new ATOM 691 N LYS A 43 -7.014 -5.029 -1.871 1.00 0.00 N ATOM 692 CA LYS A 43 -7.092 -5.400 -0.425 1.00 0.00 C ATOM 693 C LYS A 43 -6.422 -4.317 0.422 1.00 0.00 C ATOM 694 O LYS A 43 -5.369 -3.812 0.087 1.00 0.00 O ATOM 695 CB LYS A 43 -6.364 -6.734 -0.221 1.00 0.00 C ATOM 696 CG LYS A 43 -7.110 -7.834 -0.978 1.00 0.00 C ATOM 697 CD LYS A 43 -6.621 -9.218 -0.527 1.00 0.00 C ATOM 698 CE LYS A 43 -5.161 -9.447 -0.954 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.253 -8.955 0.120 1.00 0.00 N ATOM 0 H LYS A 43 -6.105 -4.682 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.135 -5.493 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.337 -6.661 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.314 -6.976 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.182 -7.744 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.953 -7.717 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.705 -9.303 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.256 -9.992 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.985 -10.507 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.956 -8.923 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.503 -9.656 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.825 -8.054 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.796 -8.811 0.995 1.00 0.00 H new ATOM 713 N LEU A 44 -7.026 -3.971 1.529 1.00 0.00 N ATOM 714 CA LEU A 44 -6.431 -2.939 2.428 1.00 0.00 C ATOM 715 C LEU A 44 -5.496 -3.654 3.401 1.00 0.00 C ATOM 716 O LEU A 44 -4.404 -3.203 3.686 1.00 0.00 O ATOM 717 CB LEU A 44 -7.554 -2.251 3.216 1.00 0.00 C ATOM 718 CG LEU A 44 -6.973 -1.241 4.221 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.224 -0.123 3.473 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.123 -0.636 5.040 1.00 0.00 C ATOM 0 H LEU A 44 -7.912 -4.362 1.850 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.886 -2.191 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.228 -1.740 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.145 -2.999 3.745 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.273 -1.749 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.817 0.587 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.411 -0.556 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.914 0.393 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.722 0.082 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.819 -0.131 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.645 -1.429 5.575 1.00 0.00 H new ATOM 732 N VAL A 45 -5.944 -4.769 3.917 1.00 0.00 N ATOM 733 CA VAL A 45 -5.133 -5.562 4.892 1.00 0.00 C ATOM 734 C VAL A 45 -4.979 -7.001 4.374 1.00 0.00 C ATOM 735 O VAL A 45 -5.540 -7.373 3.362 1.00 0.00 O ATOM 736 CB VAL A 45 -5.859 -5.555 6.248 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.489 -4.285 7.032 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.374 -5.576 6.002 1.00 0.00 C ATOM 0 H VAL A 45 -6.856 -5.172 3.700 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.141 -5.126 5.008 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.562 -6.431 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.006 -4.286 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.412 -4.262 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.786 -3.405 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.898 -5.571 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.661 -4.696 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.640 -6.476 5.447 1.00 0.00 H new ATOM 748 N ALA A 46 -4.194 -7.799 5.046 1.00 0.00 N ATOM 749 CA ALA A 46 -3.964 -9.204 4.584 1.00 0.00 C ATOM 750 C ALA A 46 -5.217 -10.075 4.779 1.00 0.00 C ATOM 751 O ALA A 46 -5.338 -11.128 4.186 1.00 0.00 O ATOM 752 CB ALA A 46 -2.801 -9.808 5.375 1.00 0.00 C ATOM 0 H ALA A 46 -3.699 -7.540 5.899 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.731 -9.179 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.628 -10.832 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.901 -9.216 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.044 -9.807 6.437 1.00 0.00 H new ATOM 758 N THR A 47 -6.136 -9.671 5.618 1.00 0.00 N ATOM 759 CA THR A 47 -7.352 -10.517 5.855 1.00 0.00 C ATOM 760 C THR A 47 -8.451 -10.220 4.828 1.00 0.00 C ATOM 761 O THR A 47 -9.427 -10.936 4.745 1.00 0.00 O ATOM 762 CB THR A 47 -7.901 -10.213 7.249 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.977 -11.097 7.533 1.00 0.00 O ATOM 764 CG2 THR A 47 -8.398 -8.762 7.306 1.00 0.00 C ATOM 0 H THR A 47 -6.101 -8.800 6.147 1.00 0.00 H new ATOM 0 HA THR A 47 -7.062 -11.564 5.763 1.00 0.00 H new ATOM 0 HB THR A 47 -7.111 -10.349 7.988 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.537 -11.198 6.735 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.788 -8.550 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.571 -8.085 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.188 -8.619 6.568 1.00 0.00 H new ATOM 772 N ASP A 48 -8.318 -9.185 4.048 1.00 0.00 N ATOM 773 CA ASP A 48 -9.381 -8.888 3.044 1.00 0.00 C ATOM 774 C ASP A 48 -9.351 -9.955 1.947 1.00 0.00 C ATOM 775 O ASP A 48 -8.508 -10.829 1.944 1.00 0.00 O ATOM 776 CB ASP A 48 -9.154 -7.508 2.428 1.00 0.00 C ATOM 777 CG ASP A 48 -9.506 -6.425 3.452 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.992 -6.780 4.512 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.285 -5.260 3.157 1.00 0.00 O ATOM 0 H ASP A 48 -7.530 -8.538 4.059 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.353 -8.896 3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.115 -7.404 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.768 -7.392 1.535 1.00 0.00 H new ATOM 784 N ARG A 49 -10.267 -9.894 1.015 1.00 0.00 N ATOM 785 CA ARG A 49 -10.293 -10.911 -0.086 1.00 0.00 C ATOM 786 C ARG A 49 -10.715 -10.223 -1.394 1.00 0.00 C ATOM 787 O ARG A 49 -11.581 -9.373 -1.404 1.00 0.00 O ATOM 788 CB ARG A 49 -11.299 -12.025 0.291 1.00 0.00 C ATOM 789 CG ARG A 49 -10.696 -13.416 0.035 1.00 0.00 C ATOM 790 CD ARG A 49 -10.525 -13.635 -1.466 1.00 0.00 C ATOM 791 NE ARG A 49 -10.039 -15.021 -1.702 1.00 0.00 N ATOM 792 CZ ARG A 49 -10.087 -15.535 -2.900 1.00 0.00 C ATOM 793 NH1 ARG A 49 -10.532 -14.820 -3.898 1.00 0.00 N ATOM 794 NH2 ARG A 49 -9.679 -16.758 -3.099 1.00 0.00 N ATOM 0 H ARG A 49 -10.999 -9.185 0.966 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.306 -11.353 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.575 -11.931 1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.213 -11.908 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.732 -13.503 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.344 -14.186 0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.473 -13.476 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.817 -12.913 -1.873 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.668 -15.570 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.841 -13.861 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.570 -15.221 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.323 -17.310 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.716 -17.162 -4.035 1.00 0.00 H new ATOM 808 N VAL A 50 -10.108 -10.581 -2.493 1.00 0.00 N ATOM 809 CA VAL A 50 -10.474 -9.944 -3.788 1.00 0.00 C ATOM 810 C VAL A 50 -11.689 -10.672 -4.390 1.00 0.00 C ATOM 811 O VAL A 50 -11.823 -11.869 -4.241 1.00 0.00 O ATOM 812 CB VAL A 50 -9.290 -10.048 -4.754 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.027 -9.533 -4.076 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.075 -11.506 -5.175 1.00 0.00 C ATOM 0 H VAL A 50 -9.374 -11.287 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.722 -8.895 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.507 -9.447 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.187 -9.609 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.168 -8.491 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.822 -10.130 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.231 -11.566 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.869 -12.113 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.972 -11.878 -5.670 1.00 0.00 H new ATOM 824 N PRO A 51 -12.561 -9.972 -5.082 1.00 0.00 N ATOM 825 CA PRO A 51 -13.755 -10.603 -5.719 1.00 0.00 C ATOM 826 C PRO A 51 -13.358 -11.533 -6.869 1.00 0.00 C ATOM 827 O PRO A 51 -12.345 -11.345 -7.515 1.00 0.00 O ATOM 828 CB PRO A 51 -14.568 -9.408 -6.239 1.00 0.00 C ATOM 829 CG PRO A 51 -13.554 -8.338 -6.449 1.00 0.00 C ATOM 830 CD PRO A 51 -12.524 -8.519 -5.339 1.00 0.00 C ATOM 0 HA PRO A 51 -14.313 -11.228 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.086 -9.653 -7.166 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.328 -9.101 -5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.090 -8.426 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.012 -7.350 -6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.533 -8.190 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.785 -7.945 -4.450 1.00 0.00 H new ATOM 838 N ALA A 52 -14.145 -12.537 -7.115 1.00 0.00 N ATOM 839 CA ALA A 52 -13.830 -13.494 -8.210 1.00 0.00 C ATOM 840 C ALA A 52 -13.437 -12.738 -9.483 1.00 0.00 C ATOM 841 O ALA A 52 -13.980 -11.695 -9.794 1.00 0.00 O ATOM 842 CB ALA A 52 -15.062 -14.352 -8.482 1.00 0.00 C ATOM 0 H ALA A 52 -15.002 -12.739 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.993 -14.124 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.844 -15.058 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.331 -14.900 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.893 -13.712 -8.779 1.00 0.00 H new ATOM 848 N GLY A 53 -12.501 -13.270 -10.226 1.00 0.00 N ATOM 849 CA GLY A 53 -12.059 -12.608 -11.492 1.00 0.00 C ATOM 850 C GLY A 53 -10.791 -11.806 -11.224 1.00 0.00 C ATOM 851 O GLY A 53 -9.984 -11.586 -12.104 1.00 0.00 O ATOM 0 H GLY A 53 -12.019 -14.142 -10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.874 -13.357 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.845 -11.953 -11.867 1.00 0.00 H new ATOM 855 N LYS A 54 -10.606 -11.371 -10.010 1.00 0.00 N ATOM 856 CA LYS A 54 -9.395 -10.589 -9.662 1.00 0.00 C ATOM 857 C LYS A 54 -8.366 -11.535 -9.052 1.00 0.00 C ATOM 858 O LYS A 54 -8.675 -12.340 -8.196 1.00 0.00 O ATOM 859 CB LYS A 54 -9.798 -9.511 -8.665 1.00 0.00 C ATOM 860 CG LYS A 54 -10.982 -8.706 -9.227 1.00 0.00 C ATOM 861 CD LYS A 54 -10.661 -8.200 -10.639 1.00 0.00 C ATOM 862 CE LYS A 54 -11.611 -7.058 -11.000 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.009 -7.570 -11.015 1.00 0.00 N ATOM 0 H LYS A 54 -11.252 -11.528 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.959 -10.117 -10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.073 -9.966 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.955 -8.849 -8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.875 -9.330 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.200 -7.862 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.628 -7.857 -10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.761 -9.012 -11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.516 -6.248 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.351 -6.647 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.630 -6.870 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.046 -8.462 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.328 -7.736 -10.039 1.00 0.00 H new ATOM 877 N ARG A 55 -7.148 -11.466 -9.510 1.00 0.00 N ATOM 878 CA ARG A 55 -6.105 -12.386 -8.987 1.00 0.00 C ATOM 879 C ARG A 55 -5.658 -11.923 -7.597 1.00 0.00 C ATOM 880 O ARG A 55 -5.620 -10.745 -7.308 1.00 0.00 O ATOM 881 CB ARG A 55 -4.915 -12.389 -9.962 1.00 0.00 C ATOM 882 CG ARG A 55 -4.115 -13.700 -9.832 1.00 0.00 C ATOM 883 CD ARG A 55 -4.804 -14.845 -10.596 1.00 0.00 C ATOM 884 NE ARG A 55 -5.845 -15.474 -9.729 1.00 0.00 N ATOM 885 CZ ARG A 55 -6.753 -16.249 -10.255 1.00 0.00 C ATOM 886 NH1 ARG A 55 -6.742 -16.487 -11.536 1.00 0.00 N ATOM 887 NH2 ARG A 55 -7.671 -16.788 -9.496 1.00 0.00 N ATOM 0 H ARG A 55 -6.831 -10.811 -10.225 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.504 -13.397 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.275 -12.275 -10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.266 -11.538 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.107 -13.555 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.017 -13.967 -8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.260 -14.463 -11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.067 -15.590 -10.895 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.846 -15.297 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.024 -16.068 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.451 -17.093 -11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.677 -16.602 -8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.381 -17.394 -9.907 1.00 0.00 H new ATOM 901 N ASP A 56 -5.328 -12.844 -6.731 1.00 0.00 N ATOM 902 CA ASP A 56 -4.894 -12.455 -5.357 1.00 0.00 C ATOM 903 C ASP A 56 -3.806 -11.381 -5.445 1.00 0.00 C ATOM 904 O ASP A 56 -3.096 -11.282 -6.426 1.00 0.00 O ATOM 905 CB ASP A 56 -4.349 -13.682 -4.613 1.00 0.00 C ATOM 906 CG ASP A 56 -4.085 -13.312 -3.153 1.00 0.00 C ATOM 907 OD1 ASP A 56 -4.388 -12.190 -2.784 1.00 0.00 O ATOM 908 OD2 ASP A 56 -3.581 -14.155 -2.431 1.00 0.00 O ATOM 0 H ASP A 56 -5.340 -13.847 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.750 -12.059 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.064 -14.503 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.429 -14.028 -5.084 1.00 0.00 H new ATOM 913 N CYS A 57 -3.683 -10.564 -4.426 1.00 0.00 N ATOM 914 CA CYS A 57 -2.658 -9.484 -4.439 1.00 0.00 C ATOM 915 C CYS A 57 -2.181 -9.224 -3.006 1.00 0.00 C ATOM 916 O CYS A 57 -2.769 -9.693 -2.051 1.00 0.00 O ATOM 917 CB CYS A 57 -3.285 -8.213 -5.011 1.00 0.00 C ATOM 918 SG CYS A 57 -3.855 -8.525 -6.703 1.00 0.00 S ATOM 0 H CYS A 57 -4.255 -10.603 -3.582 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.808 -9.782 -5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.121 -7.895 -4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.557 -7.402 -5.005 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.859 -9.351 -6.677 1.00 0.00 H new ATOM 924 N ILE A 58 -1.109 -8.495 -2.849 1.00 0.00 N ATOM 925 CA ILE A 58 -0.581 -8.214 -1.480 1.00 0.00 C ATOM 926 C ILE A 58 -1.244 -6.960 -0.900 1.00 0.00 C ATOM 927 O ILE A 58 -1.351 -5.942 -1.553 1.00 0.00 O ATOM 928 CB ILE A 58 0.929 -8.016 -1.562 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.558 -9.308 -2.090 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.479 -7.705 -0.170 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.039 -9.074 -2.392 1.00 0.00 C ATOM 0 H ILE A 58 -0.574 -8.080 -3.612 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.807 -9.055 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 58 1.165 -7.187 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.448 -10.104 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.040 -9.634 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.558 -7.563 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.014 -6.796 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.258 -8.534 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.484 -9.996 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.138 -8.291 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.552 -8.769 -1.480 1.00 0.00 H new ATOM 943 N SER A 59 -1.689 -7.032 0.323 1.00 0.00 N ATOM 944 CA SER A 59 -2.350 -5.856 0.960 1.00 0.00 C ATOM 945 C SER A 59 -1.367 -4.680 1.077 1.00 0.00 C ATOM 946 O SER A 59 -0.163 -4.857 1.076 1.00 0.00 O ATOM 947 CB SER A 59 -2.832 -6.259 2.350 1.00 0.00 C ATOM 948 OG SER A 59 -1.712 -6.551 3.175 1.00 0.00 O ATOM 0 H SER A 59 -1.623 -7.861 0.914 1.00 0.00 H new ATOM 0 HA SER A 59 -3.192 -5.540 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.421 -5.454 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.484 -7.130 2.282 1.00 0.00 H new ATOM 0 HG SER A 59 -2.022 -6.808 4.068 1.00 0.00 H new ATOM 954 N LEU A 60 -1.887 -3.481 1.185 1.00 0.00 N ATOM 955 CA LEU A 60 -1.020 -2.269 1.313 1.00 0.00 C ATOM 956 C LEU A 60 -0.124 -2.407 2.546 1.00 0.00 C ATOM 957 O LEU A 60 1.081 -2.243 2.486 1.00 0.00 O ATOM 958 CB LEU A 60 -1.934 -1.039 1.503 1.00 0.00 C ATOM 959 CG LEU A 60 -2.367 -0.466 0.152 1.00 0.00 C ATOM 960 CD1 LEU A 60 -2.904 -1.581 -0.741 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.472 0.575 0.383 1.00 0.00 C ATOM 0 H LEU A 60 -2.889 -3.289 1.190 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.401 -2.159 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.814 -1.321 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.408 -0.275 2.075 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.510 -0.002 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.210 -1.163 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.125 -2.326 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.762 -2.051 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.787 0.989 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.323 0.100 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.091 1.376 1.017 1.00 0.00 H new ATOM 973 N ARG A 61 -0.715 -2.683 3.668 1.00 0.00 N ATOM 974 CA ARG A 61 0.071 -2.798 4.922 1.00 0.00 C ATOM 975 C ARG A 61 1.246 -3.747 4.720 1.00 0.00 C ATOM 976 O ARG A 61 2.354 -3.461 5.123 1.00 0.00 O ATOM 977 CB ARG A 61 -0.835 -3.332 6.039 1.00 0.00 C ATOM 978 CG ARG A 61 -2.092 -2.453 6.180 1.00 0.00 C ATOM 979 CD ARG A 61 -1.783 -1.208 7.014 1.00 0.00 C ATOM 980 NE ARG A 61 -2.903 -0.232 6.877 1.00 0.00 N ATOM 981 CZ ARG A 61 -2.972 0.789 7.684 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.070 0.945 8.616 1.00 0.00 N ATOM 983 NH2 ARG A 61 -3.943 1.652 7.561 1.00 0.00 N ATOM 0 H ARG A 61 -1.718 -2.835 3.772 1.00 0.00 H new ATOM 0 HA ARG A 61 0.455 -1.815 5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.125 -4.360 5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.288 -3.349 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.449 -2.158 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.892 -3.024 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.650 -1.481 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.849 -0.756 6.681 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.611 -0.363 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.313 0.268 8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.123 1.744 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.647 1.527 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.998 2.451 8.192 1.00 0.00 H new ATOM 997 N GLU A 62 1.026 -4.872 4.109 1.00 0.00 N ATOM 998 CA GLU A 62 2.155 -5.819 3.903 1.00 0.00 C ATOM 999 C GLU A 62 3.114 -5.258 2.847 1.00 0.00 C ATOM 1000 O GLU A 62 4.318 -5.349 2.982 1.00 0.00 O ATOM 1001 CB GLU A 62 1.608 -7.183 3.452 1.00 0.00 C ATOM 1002 CG GLU A 62 1.017 -7.924 4.658 1.00 0.00 C ATOM 1003 CD GLU A 62 0.658 -9.353 4.263 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.085 -9.518 3.309 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.131 -10.261 4.925 1.00 0.00 O ATOM 0 H GLU A 62 0.123 -5.177 3.745 1.00 0.00 H new ATOM 0 HA GLU A 62 2.698 -5.947 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.844 -7.045 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.405 -7.776 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.735 -7.933 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.130 -7.403 5.017 1.00 0.00 H new ATOM 1012 N LYS A 63 2.595 -4.682 1.796 1.00 0.00 N ATOM 1013 CA LYS A 63 3.481 -4.129 0.729 1.00 0.00 C ATOM 1014 C LYS A 63 4.298 -2.936 1.256 1.00 0.00 C ATOM 1015 O LYS A 63 5.465 -2.791 0.948 1.00 0.00 O ATOM 1016 CB LYS A 63 2.609 -3.670 -0.454 1.00 0.00 C ATOM 1017 CG LYS A 63 3.457 -3.602 -1.726 1.00 0.00 C ATOM 1018 CD LYS A 63 2.717 -2.807 -2.810 1.00 0.00 C ATOM 1019 CE LYS A 63 1.329 -3.409 -3.046 1.00 0.00 C ATOM 1020 NZ LYS A 63 0.407 -2.976 -1.961 1.00 0.00 N ATOM 0 H LYS A 63 1.595 -4.570 1.629 1.00 0.00 H new ATOM 0 HA LYS A 63 4.176 -4.906 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.779 -4.362 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.177 -2.692 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.416 -3.131 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.671 -4.609 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.623 -1.764 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.290 -2.820 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.943 -3.090 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.393 -4.497 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.260 -3.762 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.822 -2.167 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.506 -2.696 -2.373 1.00 0.00 H new ATOM 1034 N ILE A 64 3.686 -2.068 2.020 1.00 0.00 N ATOM 1035 CA ILE A 64 4.413 -0.866 2.534 1.00 0.00 C ATOM 1036 C ILE A 64 5.632 -1.284 3.377 1.00 0.00 C ATOM 1037 O ILE A 64 6.734 -0.832 3.141 1.00 0.00 O ATOM 1038 CB ILE A 64 3.427 -0.011 3.384 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.690 1.018 2.502 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.178 0.750 4.490 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.652 0.320 1.623 1.00 0.00 C ATOM 0 H ILE A 64 2.711 -2.139 2.311 1.00 0.00 H new ATOM 0 HA ILE A 64 4.780 -0.276 1.694 1.00 0.00 H new ATOM 0 HB ILE A 64 2.707 -0.697 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.202 1.762 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.407 1.550 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.469 1.340 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.680 0.038 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.917 1.412 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.141 1.060 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.149 -0.407 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.925 -0.191 2.254 1.00 0.00 H new ATOM 1053 N ALA A 65 5.448 -2.122 4.358 1.00 0.00 N ATOM 1054 CA ALA A 65 6.606 -2.531 5.210 1.00 0.00 C ATOM 1055 C ALA A 65 7.720 -3.118 4.333 1.00 0.00 C ATOM 1056 O ALA A 65 8.894 -2.894 4.562 1.00 0.00 O ATOM 1057 CB ALA A 65 6.141 -3.577 6.232 1.00 0.00 C ATOM 0 H ALA A 65 4.552 -2.541 4.608 1.00 0.00 H new ATOM 0 HA ALA A 65 6.994 -1.658 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.984 -3.877 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.360 -3.150 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.749 -4.449 5.708 1.00 0.00 H new ATOM 1063 N GLU A 66 7.358 -3.877 3.341 1.00 0.00 N ATOM 1064 CA GLU A 66 8.383 -4.495 2.451 1.00 0.00 C ATOM 1065 C GLU A 66 9.000 -3.445 1.509 1.00 0.00 C ATOM 1066 O GLU A 66 10.194 -3.436 1.281 1.00 0.00 O ATOM 1067 CB GLU A 66 7.715 -5.608 1.620 1.00 0.00 C ATOM 1068 CG GLU A 66 7.705 -6.925 2.404 1.00 0.00 C ATOM 1069 CD GLU A 66 6.970 -6.736 3.731 1.00 0.00 C ATOM 1070 OE1 GLU A 66 7.508 -6.058 4.593 1.00 0.00 O ATOM 1071 OE2 GLU A 66 5.885 -7.274 3.865 1.00 0.00 O ATOM 0 H GLU A 66 6.391 -4.099 3.104 1.00 0.00 H new ATOM 0 HA GLU A 66 9.182 -4.910 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.695 -5.320 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.251 -5.741 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.219 -7.704 1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.727 -7.256 2.588 1.00 0.00 H new ATOM 1078 N LEU A 67 8.208 -2.575 0.942 1.00 0.00 N ATOM 1079 CA LEU A 67 8.772 -1.559 -0.003 1.00 0.00 C ATOM 1080 C LEU A 67 9.661 -0.558 0.748 1.00 0.00 C ATOM 1081 O LEU A 67 10.714 -0.190 0.285 1.00 0.00 O ATOM 1082 CB LEU A 67 7.619 -0.809 -0.695 1.00 0.00 C ATOM 1083 CG LEU A 67 7.136 -1.578 -1.943 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.796 -0.992 -2.414 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.170 -1.464 -3.090 1.00 0.00 C ATOM 0 H LEU A 67 7.200 -2.521 1.089 1.00 0.00 H new ATOM 0 HA LEU A 67 9.379 -2.072 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.791 -0.682 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.949 0.189 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 67 7.016 -2.629 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.452 -1.533 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.057 -1.088 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.927 0.061 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.810 -2.013 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.307 -0.415 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.122 -1.883 -2.765 1.00 0.00 H new ATOM 1097 N GLN A 68 9.249 -0.091 1.882 1.00 0.00 N ATOM 1098 CA GLN A 68 10.095 0.901 2.603 1.00 0.00 C ATOM 1099 C GLN A 68 11.378 0.234 3.128 1.00 0.00 C ATOM 1100 O GLN A 68 12.442 0.819 3.095 1.00 0.00 O ATOM 1101 CB GLN A 68 9.301 1.477 3.776 1.00 0.00 C ATOM 1102 CG GLN A 68 8.111 2.282 3.248 1.00 0.00 C ATOM 1103 CD GLN A 68 7.333 2.861 4.428 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.648 2.585 5.569 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.323 3.657 4.204 1.00 0.00 N ATOM 0 H GLN A 68 8.375 -0.345 2.342 1.00 0.00 H new ATOM 0 HA GLN A 68 10.374 1.698 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.950 0.671 4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.943 2.115 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.459 3.084 2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.463 1.644 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.059 3.889 3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.798 4.047 4.987 1.00 0.00 H new ATOM 1114 N LYS A 69 11.291 -0.971 3.623 1.00 0.00 N ATOM 1115 CA LYS A 69 12.512 -1.652 4.155 1.00 0.00 C ATOM 1116 C LYS A 69 13.320 -2.310 3.027 1.00 0.00 C ATOM 1117 O LYS A 69 14.535 -2.320 3.053 1.00 0.00 O ATOM 1118 CB LYS A 69 12.084 -2.722 5.160 1.00 0.00 C ATOM 1119 CG LYS A 69 13.320 -3.358 5.815 1.00 0.00 C ATOM 1120 CD LYS A 69 12.890 -4.345 6.913 1.00 0.00 C ATOM 1121 CE LYS A 69 12.492 -5.695 6.297 1.00 0.00 C ATOM 1122 NZ LYS A 69 13.629 -6.237 5.501 1.00 0.00 N ATOM 0 H LYS A 69 10.430 -1.515 3.683 1.00 0.00 H new ATOM 0 HA LYS A 69 13.144 -0.905 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.446 -2.279 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.494 -3.489 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.914 -3.876 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.955 -2.581 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.706 -4.488 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.051 -3.932 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.218 -6.398 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.616 -5.571 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.569 -7.275 5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.586 -5.860 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.527 -5.955 5.942 1.00 0.00 H new ATOM 1136 N ASP A 70 12.663 -2.894 2.059 1.00 0.00 N ATOM 1137 CA ASP A 70 13.411 -3.582 0.966 1.00 0.00 C ATOM 1138 C ASP A 70 14.034 -2.571 0.000 1.00 0.00 C ATOM 1139 O ASP A 70 15.051 -2.843 -0.606 1.00 0.00 O ATOM 1140 CB ASP A 70 12.464 -4.512 0.202 1.00 0.00 C ATOM 1141 CG ASP A 70 13.276 -5.431 -0.713 1.00 0.00 C ATOM 1142 OD1 ASP A 70 14.208 -6.050 -0.225 1.00 0.00 O ATOM 1143 OD2 ASP A 70 12.955 -5.497 -1.888 1.00 0.00 O ATOM 0 H ASP A 70 11.647 -2.924 1.978 1.00 0.00 H new ATOM 0 HA ASP A 70 14.216 -4.163 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.877 -5.106 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.759 -3.926 -0.387 1.00 0.00 H new ATOM 1148 N ILE A 71 13.443 -1.417 -0.161 1.00 0.00 N ATOM 1149 CA ILE A 71 14.024 -0.408 -1.106 1.00 0.00 C ATOM 1150 C ILE A 71 15.085 0.441 -0.393 1.00 0.00 C ATOM 1151 O ILE A 71 16.142 0.705 -0.928 1.00 0.00 O ATOM 1152 CB ILE A 71 12.915 0.517 -1.618 1.00 0.00 C ATOM 1153 CG1 ILE A 71 11.854 -0.295 -2.391 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.518 1.592 -2.533 1.00 0.00 C ATOM 1155 CD1 ILE A 71 12.487 -1.084 -3.539 1.00 0.00 C ATOM 0 H ILE A 71 12.589 -1.127 0.315 1.00 0.00 H new ATOM 0 HA ILE A 71 14.484 -0.939 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 71 12.435 0.997 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.350 -0.981 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.093 0.379 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.726 2.248 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.247 2.178 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 71 14.009 1.114 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.714 -1.645 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.969 -0.394 -4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.229 -1.775 -3.140 1.00 0.00 H new ATOM 1167 N HIS A 72 14.810 0.882 0.806 1.00 0.00 N ATOM 1168 CA HIS A 72 15.803 1.722 1.541 1.00 0.00 C ATOM 1169 C HIS A 72 16.756 0.813 2.321 1.00 0.00 C ATOM 1170 O HIS A 72 16.455 -0.335 2.578 1.00 0.00 O ATOM 1171 CB HIS A 72 15.056 2.656 2.498 1.00 0.00 C ATOM 1172 CG HIS A 72 13.932 3.324 1.747 1.00 0.00 C ATOM 1173 ND1 HIS A 72 12.680 3.519 2.309 1.00 0.00 N ATOM 1174 CD2 HIS A 72 13.854 3.838 0.474 1.00 0.00 C ATOM 1175 CE1 HIS A 72 11.910 4.123 1.386 1.00 0.00 C ATOM 1176 NE2 HIS A 72 12.577 4.341 0.249 1.00 0.00 N ATOM 0 H HIS A 72 13.942 0.698 1.308 1.00 0.00 H new ATOM 0 HA HIS A 72 16.383 2.320 0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 72 14.662 2.093 3.344 1.00 0.00 H new ATOM 0 HB3 HIS A 72 15.737 3.405 2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 72 14.662 3.849 -0.243 1.00 0.00 H new ATOM 0 HE1 HIS A 72 10.878 4.398 1.545 1.00 0.00 H new ATOM 0 HE2 HIS A 72 12.225 4.782 -0.601 1.00 0.00 H new ATOM 1184 N ASP A 73 17.910 1.312 2.687 1.00 0.00 N ATOM 1185 CA ASP A 73 18.889 0.472 3.438 1.00 0.00 C ATOM 1186 C ASP A 73 19.093 -0.849 2.693 1.00 0.00 C ATOM 1187 O ASP A 73 18.464 -1.843 2.995 1.00 0.00 O ATOM 1188 CB ASP A 73 18.353 0.186 4.843 1.00 0.00 C ATOM 1189 CG ASP A 73 19.421 -0.552 5.657 1.00 0.00 C ATOM 1190 OD1 ASP A 73 20.486 -0.793 5.115 1.00 0.00 O ATOM 1191 OD2 ASP A 73 19.155 -0.862 6.809 1.00 0.00 O ATOM 0 H ASP A 73 18.216 2.266 2.497 1.00 0.00 H new ATOM 0 HA ASP A 73 19.838 1.002 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.084 1.119 5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.446 -0.416 4.782 1.00 0.00 H new TER 1196 ASP A 73