USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 807 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 50 ASN : amide:sc= -0.816! C(o=-6.5!,f=-8.6!) USER MOD Set 1.2: A 53 ASN : amide:sc= -5.73! C(o=-6.5!,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.152 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc=0.000204 USER MOD Single : A 21 HIS : no HD1:sc= -0.0781 X(o=-0.078,f=-0.01) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00323) USER MOD Single : A 28 ASN : amide:sc= 0.652 K(o=0.65,f=-0.071) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 84:sc= 0.171 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0907 (180deg=-0.267) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-5.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= -0.137 (180deg=-0.661) USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= -1.75! (180deg=-3.79!) USER MOD Single : A 64 ASN : amide:sc= -6.71! C(o=-6.7!,f=-5.8!) USER MOD Single : A 65 ASN : amide:sc= -7.28! C(o=-7.3!,f=-6.1!) USER MOD Single : A 67 HIS : no HD1:sc= -9.21! C(o=-9.2!,f=-9.2!) USER MOD Single : A 71 THR OG1 : rot -76:sc= 1.08 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= -4.75! (180deg=-5.51!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0422 K(o=-0.042,f=-1.2) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= 0.0534 K(o=0.053,f=-3.5!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 76:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.748 1.292 -39.622 1.00 0.00 N ATOM 2 CA GLY A 1 15.418 0.756 -39.399 1.00 0.00 C ATOM 3 C GLY A 1 14.917 1.016 -37.992 1.00 0.00 C ATOM 4 O GLY A 1 15.578 1.695 -37.206 1.00 0.00 O ATOM 0 H1 GLY A 1 16.726 1.951 -40.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.067 1.796 -38.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.406 0.514 -39.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.726 1.199 -40.115 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.426 -0.318 -39.586 1.00 0.00 H new ATOM 8 N SER A 2 13.744 0.477 -37.674 1.00 0.00 N ATOM 9 CA SER A 2 13.152 0.660 -36.354 1.00 0.00 C ATOM 10 C SER A 2 12.657 -0.670 -35.792 1.00 0.00 C ATOM 11 O SER A 2 11.816 -1.336 -36.395 1.00 0.00 O ATOM 12 CB SER A 2 11.995 1.658 -36.425 1.00 0.00 C ATOM 13 OG SER A 2 12.466 2.964 -36.709 1.00 0.00 O ATOM 0 H SER A 2 13.185 -0.090 -38.312 1.00 0.00 H new ATOM 0 HA SER A 2 13.921 1.053 -35.689 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.289 1.347 -37.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.454 1.661 -35.479 1.00 0.00 H new ATOM 0 HG SER A 2 11.708 3.583 -36.751 1.00 0.00 H new ATOM 19 N SER A 3 13.186 -1.049 -34.633 1.00 0.00 N ATOM 20 CA SER A 3 12.802 -2.300 -33.991 1.00 0.00 C ATOM 21 C SER A 3 11.474 -2.148 -33.256 1.00 0.00 C ATOM 22 O SER A 3 11.257 -1.172 -32.539 1.00 0.00 O ATOM 23 CB SER A 3 13.890 -2.751 -33.014 1.00 0.00 C ATOM 24 OG SER A 3 13.791 -4.139 -32.746 1.00 0.00 O ATOM 0 H SER A 3 13.882 -0.508 -34.120 1.00 0.00 H new ATOM 0 HA SER A 3 12.684 -3.057 -34.767 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.872 -2.527 -33.430 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.802 -2.191 -32.083 1.00 0.00 H new ATOM 0 HG SER A 3 14.498 -4.403 -32.121 1.00 0.00 H new ATOM 30 N GLY A 4 10.588 -3.122 -33.440 1.00 0.00 N ATOM 31 CA GLY A 4 9.292 -3.079 -32.788 1.00 0.00 C ATOM 32 C GLY A 4 9.402 -3.082 -31.277 1.00 0.00 C ATOM 33 O GLY A 4 9.901 -4.040 -30.686 1.00 0.00 O ATOM 0 H GLY A 4 10.745 -3.940 -34.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.757 -2.185 -33.108 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.700 -3.936 -33.108 1.00 0.00 H new ATOM 37 N SER A 5 8.937 -2.007 -30.648 1.00 0.00 N ATOM 38 CA SER A 5 8.991 -1.887 -29.196 1.00 0.00 C ATOM 39 C SER A 5 7.854 -2.668 -28.544 1.00 0.00 C ATOM 40 O SER A 5 6.694 -2.538 -28.934 1.00 0.00 O ATOM 41 CB SER A 5 8.919 -0.417 -28.782 1.00 0.00 C ATOM 42 OG SER A 5 9.426 -0.231 -27.471 1.00 0.00 O ATOM 0 H SER A 5 8.519 -1.206 -31.122 1.00 0.00 H new ATOM 0 HA SER A 5 9.938 -2.306 -28.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.489 0.190 -29.485 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.886 -0.073 -28.828 1.00 0.00 H new ATOM 0 HG SER A 5 9.371 0.717 -27.230 1.00 0.00 H new ATOM 48 N SER A 6 8.196 -3.479 -27.548 1.00 0.00 N ATOM 49 CA SER A 6 7.205 -4.284 -26.843 1.00 0.00 C ATOM 50 C SER A 6 7.351 -4.124 -25.333 1.00 0.00 C ATOM 51 O SER A 6 8.460 -4.133 -24.800 1.00 0.00 O ATOM 52 CB SER A 6 7.347 -5.757 -27.228 1.00 0.00 C ATOM 53 OG SER A 6 6.610 -6.588 -26.348 1.00 0.00 O ATOM 0 H SER A 6 9.152 -3.596 -27.211 1.00 0.00 H new ATOM 0 HA SER A 6 6.214 -3.934 -27.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.998 -5.904 -28.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.399 -6.042 -27.207 1.00 0.00 H new ATOM 0 HG SER A 6 6.716 -7.524 -26.617 1.00 0.00 H new ATOM 59 N GLY A 7 6.221 -3.979 -24.648 1.00 0.00 N ATOM 60 CA GLY A 7 6.243 -3.819 -23.205 1.00 0.00 C ATOM 61 C GLY A 7 5.419 -4.873 -22.493 1.00 0.00 C ATOM 62 O GLY A 7 4.208 -4.718 -22.329 1.00 0.00 O ATOM 0 H GLY A 7 5.291 -3.969 -25.066 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.273 -3.868 -22.853 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.865 -2.830 -22.946 1.00 0.00 H new ATOM 66 N ARG A 8 6.074 -5.949 -22.070 1.00 0.00 N ATOM 67 CA ARG A 8 5.393 -7.034 -21.373 1.00 0.00 C ATOM 68 C ARG A 8 4.639 -6.509 -20.155 1.00 0.00 C ATOM 69 O ARG A 8 4.926 -5.421 -19.658 1.00 0.00 O ATOM 70 CB ARG A 8 6.400 -8.103 -20.943 1.00 0.00 C ATOM 71 CG ARG A 8 7.048 -8.833 -22.107 1.00 0.00 C ATOM 72 CD ARG A 8 8.382 -9.445 -21.708 1.00 0.00 C ATOM 73 NE ARG A 8 9.484 -8.499 -21.856 1.00 0.00 N ATOM 74 CZ ARG A 8 9.950 -8.091 -23.031 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.412 -8.544 -24.155 1.00 0.00 N ATOM 76 NH2 ARG A 8 10.956 -7.228 -23.083 1.00 0.00 N ATOM 0 H ARG A 8 7.076 -6.093 -22.198 1.00 0.00 H new ATOM 0 HA ARG A 8 4.673 -7.479 -22.060 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.178 -7.635 -20.340 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.896 -8.829 -20.305 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.379 -9.616 -22.464 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.198 -8.140 -22.935 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.331 -9.783 -20.673 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.575 -10.325 -22.321 1.00 0.00 H new ATOM 0 HE ARG A 8 9.920 -8.131 -21.011 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.638 -9.208 -24.119 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.772 -8.229 -25.056 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.372 -6.877 -22.220 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.313 -6.915 -23.986 1.00 0.00 H new ATOM 90 N GLN A 9 3.675 -7.291 -19.681 1.00 0.00 N ATOM 91 CA GLN A 9 2.879 -6.904 -18.522 1.00 0.00 C ATOM 92 C GLN A 9 2.998 -7.941 -17.409 1.00 0.00 C ATOM 93 O GLN A 9 2.882 -9.142 -17.652 1.00 0.00 O ATOM 94 CB GLN A 9 1.412 -6.731 -18.918 1.00 0.00 C ATOM 95 CG GLN A 9 0.671 -5.705 -18.076 1.00 0.00 C ATOM 96 CD GLN A 9 1.166 -4.291 -18.309 1.00 0.00 C ATOM 97 OE1 GLN A 9 1.895 -3.733 -17.488 1.00 0.00 O ATOM 98 NE2 GLN A 9 0.772 -3.703 -19.432 1.00 0.00 N ATOM 0 H GLN A 9 3.426 -8.196 -20.081 1.00 0.00 H new ATOM 0 HA GLN A 9 3.262 -5.953 -18.151 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.360 -6.435 -19.966 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.906 -7.692 -18.833 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.394 -5.755 -18.303 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.784 -5.956 -17.021 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.168 -4.203 -20.084 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.074 -2.752 -19.643 1.00 0.00 H new ATOM 107 N ARG A 10 3.230 -7.469 -16.189 1.00 0.00 N ATOM 108 CA ARG A 10 3.366 -8.355 -15.040 1.00 0.00 C ATOM 109 C ARG A 10 1.999 -8.726 -14.474 1.00 0.00 C ATOM 110 O ARG A 10 1.726 -9.894 -14.198 1.00 0.00 O ATOM 111 CB ARG A 10 4.216 -7.691 -13.954 1.00 0.00 C ATOM 112 CG ARG A 10 5.707 -7.714 -14.249 1.00 0.00 C ATOM 113 CD ARG A 10 6.349 -9.007 -13.772 1.00 0.00 C ATOM 114 NE ARG A 10 7.803 -8.980 -13.911 1.00 0.00 N ATOM 115 CZ ARG A 10 8.605 -9.921 -13.424 1.00 0.00 C ATOM 116 NH1 ARG A 10 8.097 -10.957 -12.771 1.00 0.00 N ATOM 117 NH2 ARG A 10 9.918 -9.826 -13.592 1.00 0.00 N ATOM 0 H ARG A 10 3.328 -6.477 -15.971 1.00 0.00 H new ATOM 0 HA ARG A 10 3.862 -9.267 -15.374 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.894 -6.657 -13.834 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.034 -8.194 -13.004 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.869 -7.600 -15.321 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.189 -6.866 -13.762 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.088 -9.178 -12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.946 -9.844 -14.342 1.00 0.00 H new ATOM 0 HE ARG A 10 8.225 -8.196 -14.409 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.088 -11.033 -12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.715 -11.678 -12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.312 -9.031 -14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.534 -10.548 -13.218 1.00 0.00 H new ATOM 131 N SER A 11 1.143 -7.724 -14.304 1.00 0.00 N ATOM 132 CA SER A 11 -0.195 -7.944 -13.768 1.00 0.00 C ATOM 133 C SER A 11 -1.258 -7.399 -14.717 1.00 0.00 C ATOM 134 O SER A 11 -1.613 -6.221 -14.661 1.00 0.00 O ATOM 135 CB SER A 11 -0.333 -7.280 -12.396 1.00 0.00 C ATOM 136 OG SER A 11 -1.674 -7.327 -11.939 1.00 0.00 O ATOM 0 H SER A 11 1.352 -6.752 -14.530 1.00 0.00 H new ATOM 0 HA SER A 11 -0.344 -9.019 -13.662 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.317 -7.782 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.002 -6.243 -12.455 1.00 0.00 H new ATOM 0 HG SER A 11 -1.735 -6.898 -11.060 1.00 0.00 H new ATOM 142 N LEU A 12 -1.762 -8.265 -15.590 1.00 0.00 N ATOM 143 CA LEU A 12 -2.785 -7.872 -16.553 1.00 0.00 C ATOM 144 C LEU A 12 -4.179 -8.213 -16.036 1.00 0.00 C ATOM 145 O LEU A 12 -5.037 -7.339 -15.915 1.00 0.00 O ATOM 146 CB LEU A 12 -2.542 -8.566 -17.895 1.00 0.00 C ATOM 147 CG LEU A 12 -3.410 -8.092 -19.061 1.00 0.00 C ATOM 148 CD1 LEU A 12 -2.781 -6.885 -19.739 1.00 0.00 C ATOM 149 CD2 LEU A 12 -3.619 -9.220 -20.062 1.00 0.00 C ATOM 0 H LEU A 12 -1.479 -9.243 -15.651 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.724 -6.793 -16.692 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.496 -8.430 -18.168 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.700 -9.636 -17.762 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.383 -7.796 -18.668 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.413 -6.562 -20.566 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.683 -6.073 -19.019 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.795 -7.154 -20.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.239 -8.865 -20.885 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.654 -9.547 -20.449 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.114 -10.057 -19.569 1.00 0.00 H new ATOM 161 N SER A 13 -4.396 -9.488 -15.731 1.00 0.00 N ATOM 162 CA SER A 13 -5.687 -9.945 -15.228 1.00 0.00 C ATOM 163 C SER A 13 -5.510 -10.808 -13.983 1.00 0.00 C ATOM 164 O SER A 13 -6.131 -10.562 -12.948 1.00 0.00 O ATOM 165 CB SER A 13 -6.429 -10.734 -16.309 1.00 0.00 C ATOM 166 OG SER A 13 -5.692 -11.880 -16.700 1.00 0.00 O ATOM 0 H SER A 13 -3.695 -10.223 -15.823 1.00 0.00 H new ATOM 0 HA SER A 13 -6.276 -9.068 -14.960 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.407 -11.037 -15.936 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.602 -10.096 -17.176 1.00 0.00 H new ATOM 0 HG SER A 13 -6.188 -12.368 -17.390 1.00 0.00 H new ATOM 172 N THR A 14 -4.658 -11.823 -14.090 1.00 0.00 N ATOM 173 CA THR A 14 -4.399 -12.725 -12.975 1.00 0.00 C ATOM 174 C THR A 14 -4.109 -11.948 -11.696 1.00 0.00 C ATOM 175 O THR A 14 -3.939 -10.729 -11.724 1.00 0.00 O ATOM 176 CB THR A 14 -3.214 -13.662 -13.273 1.00 0.00 C ATOM 177 OG1 THR A 14 -2.047 -12.892 -13.582 1.00 0.00 O ATOM 178 CG2 THR A 14 -3.537 -14.590 -14.434 1.00 0.00 C ATOM 0 H THR A 14 -4.135 -12.041 -14.938 1.00 0.00 H new ATOM 0 HA THR A 14 -5.299 -13.324 -12.837 1.00 0.00 H new ATOM 0 HB THR A 14 -3.026 -14.267 -12.386 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.297 -13.495 -13.769 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.685 -15.242 -14.626 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.409 -15.195 -14.185 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.749 -13.998 -15.325 1.00 0.00 H new ATOM 186 N SER A 15 -4.052 -12.661 -10.576 1.00 0.00 N ATOM 187 CA SER A 15 -3.784 -12.037 -9.285 1.00 0.00 C ATOM 188 C SER A 15 -2.308 -12.158 -8.919 1.00 0.00 C ATOM 189 O SER A 15 -1.633 -13.106 -9.317 1.00 0.00 O ATOM 190 CB SER A 15 -4.645 -12.680 -8.196 1.00 0.00 C ATOM 191 OG SER A 15 -4.864 -11.781 -7.122 1.00 0.00 O ATOM 0 H SER A 15 -4.188 -13.671 -10.536 1.00 0.00 H new ATOM 0 HA SER A 15 -4.036 -10.979 -9.361 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.602 -12.987 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.156 -13.581 -7.826 1.00 0.00 H new ATOM 0 HG SER A 15 -5.418 -12.215 -6.440 1.00 0.00 H new ATOM 197 N GLY A 16 -1.812 -11.188 -8.156 1.00 0.00 N ATOM 198 CA GLY A 16 -0.420 -11.202 -7.749 1.00 0.00 C ATOM 199 C GLY A 16 -0.195 -10.498 -6.425 1.00 0.00 C ATOM 200 O GLY A 16 -0.609 -10.990 -5.376 1.00 0.00 O ATOM 0 H GLY A 16 -2.350 -10.393 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.078 -12.234 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.185 -10.723 -8.519 1.00 0.00 H new ATOM 204 N GLU A 17 0.463 -9.344 -6.475 1.00 0.00 N ATOM 205 CA GLU A 17 0.743 -8.573 -5.269 1.00 0.00 C ATOM 206 C GLU A 17 0.366 -7.107 -5.461 1.00 0.00 C ATOM 207 O GLU A 17 0.641 -6.516 -6.506 1.00 0.00 O ATOM 208 CB GLU A 17 2.223 -8.686 -4.898 1.00 0.00 C ATOM 209 CG GLU A 17 3.163 -8.184 -5.982 1.00 0.00 C ATOM 210 CD GLU A 17 3.272 -9.144 -7.150 1.00 0.00 C ATOM 211 OE1 GLU A 17 2.460 -9.028 -8.092 1.00 0.00 O ATOM 212 OE2 GLU A 17 4.169 -10.012 -7.122 1.00 0.00 O ATOM 0 H GLU A 17 0.812 -8.923 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 17 0.140 -8.982 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.403 -8.122 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.456 -9.729 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.812 -7.217 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.153 -8.024 -5.554 1.00 0.00 H new ATOM 219 N SER A 18 -0.266 -6.527 -4.446 1.00 0.00 N ATOM 220 CA SER A 18 -0.685 -5.131 -4.504 1.00 0.00 C ATOM 221 C SER A 18 0.126 -4.280 -3.531 1.00 0.00 C ATOM 222 O SER A 18 0.999 -3.512 -3.939 1.00 0.00 O ATOM 223 CB SER A 18 -2.176 -5.011 -4.183 1.00 0.00 C ATOM 224 OG SER A 18 -2.961 -5.122 -5.358 1.00 0.00 O ATOM 0 H SER A 18 -0.499 -7.002 -3.574 1.00 0.00 H new ATOM 0 HA SER A 18 -0.507 -4.765 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.463 -5.789 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.371 -4.053 -3.700 1.00 0.00 H new ATOM 0 HG SER A 18 -3.910 -5.044 -5.126 1.00 0.00 H new ATOM 230 N LEU A 19 -0.169 -4.421 -2.244 1.00 0.00 N ATOM 231 CA LEU A 19 0.531 -3.665 -1.211 1.00 0.00 C ATOM 232 C LEU A 19 2.031 -3.625 -1.488 1.00 0.00 C ATOM 233 O LEU A 19 2.675 -2.590 -1.322 1.00 0.00 O ATOM 234 CB LEU A 19 0.272 -4.282 0.165 1.00 0.00 C ATOM 235 CG LEU A 19 -1.196 -4.455 0.556 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.310 -5.077 1.939 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.922 -3.118 0.510 1.00 0.00 C ATOM 0 H LEU A 19 -0.888 -5.052 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 19 0.150 -2.644 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.754 -5.259 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.757 -3.660 0.917 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.666 -5.126 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.362 -5.192 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.827 -6.054 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.823 -4.431 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.965 -3.261 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.450 -2.424 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.871 -2.711 -0.500 1.00 0.00 H new ATOM 249 N TYR A 20 2.579 -4.758 -1.913 1.00 0.00 N ATOM 250 CA TYR A 20 4.002 -4.853 -2.213 1.00 0.00 C ATOM 251 C TYR A 20 4.371 -3.958 -3.392 1.00 0.00 C ATOM 252 O TYR A 20 5.283 -3.135 -3.300 1.00 0.00 O ATOM 253 CB TYR A 20 4.385 -6.302 -2.520 1.00 0.00 C ATOM 254 CG TYR A 20 4.204 -7.238 -1.346 1.00 0.00 C ATOM 255 CD1 TYR A 20 5.230 -7.445 -0.433 1.00 0.00 C ATOM 256 CD2 TYR A 20 3.005 -7.913 -1.149 1.00 0.00 C ATOM 257 CE1 TYR A 20 5.069 -8.300 0.640 1.00 0.00 C ATOM 258 CE2 TYR A 20 2.835 -8.768 -0.078 1.00 0.00 C ATOM 259 CZ TYR A 20 3.870 -8.959 0.814 1.00 0.00 C ATOM 260 OH TYR A 20 3.705 -9.810 1.883 1.00 0.00 O ATOM 0 H TYR A 20 2.059 -5.623 -2.057 1.00 0.00 H new ATOM 0 HA TYR A 20 4.555 -4.516 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.782 -6.659 -3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.426 -6.333 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.170 -6.929 -0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.193 -7.766 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.878 -8.452 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.897 -9.284 0.061 1.00 0.00 H new ATOM 0 HH TYR A 20 2.803 -10.193 1.860 1.00 0.00 H new ATOM 270 N HIS A 21 3.655 -4.123 -4.500 1.00 0.00 N ATOM 271 CA HIS A 21 3.905 -3.330 -5.698 1.00 0.00 C ATOM 272 C HIS A 21 3.807 -1.838 -5.391 1.00 0.00 C ATOM 273 O HIS A 21 4.701 -1.064 -5.733 1.00 0.00 O ATOM 274 CB HIS A 21 2.911 -3.702 -6.798 1.00 0.00 C ATOM 275 CG HIS A 21 3.454 -3.518 -8.182 1.00 0.00 C ATOM 276 ND1 HIS A 21 2.782 -2.825 -9.167 1.00 0.00 N ATOM 277 CD2 HIS A 21 4.612 -3.938 -8.743 1.00 0.00 C ATOM 278 CE1 HIS A 21 3.502 -2.830 -10.275 1.00 0.00 C ATOM 279 NE2 HIS A 21 4.618 -3.498 -10.043 1.00 0.00 N ATOM 0 H HIS A 21 2.897 -4.799 -4.593 1.00 0.00 H new ATOM 0 HA HIS A 21 4.916 -3.547 -6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.611 -4.742 -6.669 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.013 -3.095 -6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.387 -4.513 -8.258 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.225 -2.367 -11.211 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.363 -3.660 -10.720 1.00 0.00 H new ATOM 287 N VAL A 22 2.715 -1.442 -4.745 1.00 0.00 N ATOM 288 CA VAL A 22 2.501 -0.043 -4.393 1.00 0.00 C ATOM 289 C VAL A 22 3.782 0.594 -3.867 1.00 0.00 C ATOM 290 O VAL A 22 4.148 1.700 -4.266 1.00 0.00 O ATOM 291 CB VAL A 22 1.394 0.105 -3.332 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.332 1.536 -2.821 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.050 -0.325 -3.901 1.00 0.00 C ATOM 0 H VAL A 22 1.965 -2.070 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 22 2.192 0.469 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 22 1.632 -0.546 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.544 1.621 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.289 1.804 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.118 2.210 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.720 -0.214 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.198 0.298 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.104 -1.368 -4.213 1.00 0.00 H new ATOM 303 N LEU A 23 4.461 -0.112 -2.969 1.00 0.00 N ATOM 304 CA LEU A 23 5.704 0.384 -2.388 1.00 0.00 C ATOM 305 C LEU A 23 6.871 0.190 -3.350 1.00 0.00 C ATOM 306 O LEU A 23 7.701 1.081 -3.523 1.00 0.00 O ATOM 307 CB LEU A 23 5.992 -0.331 -1.066 1.00 0.00 C ATOM 308 CG LEU A 23 4.812 -0.465 -0.104 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.100 -1.523 0.950 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.503 0.873 0.551 1.00 0.00 C ATOM 0 H LEU A 23 4.172 -1.029 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 23 5.588 1.451 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.367 -1.330 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.793 0.203 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 23 3.937 -0.778 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.249 -1.604 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.271 -2.484 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.987 -1.240 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.660 0.758 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.375 1.216 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.252 1.605 -0.217 1.00 0.00 H new ATOM 322 N GLY A 24 6.926 -0.982 -3.976 1.00 0.00 N ATOM 323 CA GLY A 24 7.994 -1.272 -4.915 1.00 0.00 C ATOM 324 C GLY A 24 8.770 -2.520 -4.544 1.00 0.00 C ATOM 325 O GLY A 24 9.972 -2.612 -4.798 1.00 0.00 O ATOM 0 H GLY A 24 6.250 -1.735 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.573 -1.393 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.676 -0.423 -4.958 1.00 0.00 H new ATOM 329 N LEU A 25 8.083 -3.483 -3.940 1.00 0.00 N ATOM 330 CA LEU A 25 8.716 -4.733 -3.532 1.00 0.00 C ATOM 331 C LEU A 25 7.860 -5.932 -3.929 1.00 0.00 C ATOM 332 O LEU A 25 6.822 -5.780 -4.574 1.00 0.00 O ATOM 333 CB LEU A 25 8.950 -4.738 -2.020 1.00 0.00 C ATOM 334 CG LEU A 25 9.631 -3.497 -1.442 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.198 -3.273 -0.002 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.144 -3.628 -1.533 1.00 0.00 C ATOM 0 H LEU A 25 7.088 -3.423 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 25 9.676 -4.810 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.988 -4.864 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.554 -5.610 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 25 9.326 -2.631 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.693 -2.386 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.118 -3.133 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.473 -4.139 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.612 -2.736 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.468 -4.504 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.437 -3.739 -2.577 1.00 0.00 H new ATOM 348 N ASP A 26 8.302 -7.122 -3.539 1.00 0.00 N ATOM 349 CA ASP A 26 7.575 -8.347 -3.851 1.00 0.00 C ATOM 350 C ASP A 26 7.236 -9.118 -2.579 1.00 0.00 C ATOM 351 O ASP A 26 7.653 -8.742 -1.483 1.00 0.00 O ATOM 352 CB ASP A 26 8.399 -9.229 -4.791 1.00 0.00 C ATOM 353 CG ASP A 26 9.743 -9.606 -4.201 1.00 0.00 C ATOM 354 OD1 ASP A 26 10.298 -8.801 -3.424 1.00 0.00 O ATOM 355 OD2 ASP A 26 10.240 -10.708 -4.516 1.00 0.00 O ATOM 0 H ASP A 26 9.160 -7.265 -3.006 1.00 0.00 H new ATOM 0 HA ASP A 26 6.644 -8.071 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.838 -10.136 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.554 -8.705 -5.734 1.00 0.00 H new ATOM 360 N LYS A 27 6.475 -10.196 -2.732 1.00 0.00 N ATOM 361 CA LYS A 27 6.079 -11.021 -1.596 1.00 0.00 C ATOM 362 C LYS A 27 7.300 -11.484 -0.808 1.00 0.00 C ATOM 363 O LYS A 27 7.283 -11.512 0.422 1.00 0.00 O ATOM 364 CB LYS A 27 5.277 -12.233 -2.075 1.00 0.00 C ATOM 365 CG LYS A 27 4.008 -11.866 -2.823 1.00 0.00 C ATOM 366 CD LYS A 27 3.034 -13.031 -2.874 1.00 0.00 C ATOM 367 CE LYS A 27 1.828 -12.712 -3.744 1.00 0.00 C ATOM 368 NZ LYS A 27 2.135 -12.857 -5.194 1.00 0.00 N ATOM 0 H LYS A 27 6.120 -10.519 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 27 5.454 -10.416 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.907 -12.842 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.016 -12.849 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.532 -11.014 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.259 -11.556 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.541 -13.914 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.702 -13.273 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.004 -13.375 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.495 -11.694 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.278 -12.664 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.881 -12.183 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.461 -13.826 -5.385 1.00 0.00 H new ATOM 382 N ASN A 28 8.359 -11.846 -1.525 1.00 0.00 N ATOM 383 CA ASN A 28 9.590 -12.308 -0.892 1.00 0.00 C ATOM 384 C ASN A 28 10.055 -11.322 0.176 1.00 0.00 C ATOM 385 O ASN A 28 10.569 -11.720 1.220 1.00 0.00 O ATOM 386 CB ASN A 28 10.687 -12.496 -1.941 1.00 0.00 C ATOM 387 CG ASN A 28 10.382 -13.631 -2.900 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.768 -14.776 -2.667 1.00 0.00 O ATOM 389 ND2 ASN A 28 9.686 -13.316 -3.986 1.00 0.00 N ATOM 0 H ASN A 28 8.390 -11.829 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 28 9.387 -13.266 -0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.809 -11.571 -2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.635 -12.692 -1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.451 -14.037 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.387 -12.353 -4.138 1.00 0.00 H new ATOM 396 N ALA A 29 9.869 -10.034 -0.094 1.00 0.00 N ATOM 397 CA ALA A 29 10.267 -8.992 0.844 1.00 0.00 C ATOM 398 C ALA A 29 9.677 -9.245 2.227 1.00 0.00 C ATOM 399 O ALA A 29 8.621 -9.863 2.360 1.00 0.00 O ATOM 400 CB ALA A 29 9.840 -7.626 0.327 1.00 0.00 C ATOM 0 H ALA A 29 9.445 -9.687 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 29 11.353 -9.011 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.144 -6.857 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.314 -7.437 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.757 -7.604 0.209 1.00 0.00 H new ATOM 406 N THR A 30 10.367 -8.763 3.257 1.00 0.00 N ATOM 407 CA THR A 30 9.913 -8.938 4.630 1.00 0.00 C ATOM 408 C THR A 30 9.527 -7.603 5.256 1.00 0.00 C ATOM 409 O THR A 30 9.744 -6.544 4.667 1.00 0.00 O ATOM 410 CB THR A 30 10.996 -9.606 5.499 1.00 0.00 C ATOM 411 OG1 THR A 30 12.157 -8.770 5.562 1.00 0.00 O ATOM 412 CG2 THR A 30 11.375 -10.968 4.939 1.00 0.00 C ATOM 0 H THR A 30 11.243 -8.248 3.165 1.00 0.00 H new ATOM 0 HA THR A 30 9.037 -9.585 4.593 1.00 0.00 H new ATOM 0 HB THR A 30 10.593 -9.743 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.840 -9.200 6.117 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.141 -11.420 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.495 -11.611 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.761 -10.850 3.926 1.00 0.00 H new ATOM 420 N SER A 31 8.954 -7.660 6.454 1.00 0.00 N ATOM 421 CA SER A 31 8.535 -6.454 7.159 1.00 0.00 C ATOM 422 C SER A 31 9.657 -5.421 7.182 1.00 0.00 C ATOM 423 O SER A 31 9.425 -4.231 6.965 1.00 0.00 O ATOM 424 CB SER A 31 8.111 -6.795 8.589 1.00 0.00 C ATOM 425 OG SER A 31 9.112 -7.549 9.252 1.00 0.00 O ATOM 0 H SER A 31 8.769 -8.528 6.957 1.00 0.00 H new ATOM 0 HA SER A 31 7.684 -6.029 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.917 -5.877 9.143 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.179 -7.359 8.570 1.00 0.00 H new ATOM 0 HG SER A 31 8.818 -7.753 10.164 1.00 0.00 H new ATOM 431 N ASP A 32 10.874 -5.883 7.447 1.00 0.00 N ATOM 432 CA ASP A 32 12.033 -5.000 7.497 1.00 0.00 C ATOM 433 C ASP A 32 12.180 -4.221 6.195 1.00 0.00 C ATOM 434 O ASP A 32 12.325 -2.998 6.204 1.00 0.00 O ATOM 435 CB ASP A 32 13.304 -5.807 7.769 1.00 0.00 C ATOM 436 CG ASP A 32 13.594 -5.949 9.251 1.00 0.00 C ATOM 437 OD1 ASP A 32 13.738 -4.911 9.929 1.00 0.00 O ATOM 438 OD2 ASP A 32 13.677 -7.099 9.732 1.00 0.00 O ATOM 0 H ASP A 32 11.083 -6.864 7.631 1.00 0.00 H new ATOM 0 HA ASP A 32 11.882 -4.289 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.204 -6.797 7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.150 -5.323 7.281 1.00 0.00 H new ATOM 443 N ASP A 33 12.142 -4.936 5.076 1.00 0.00 N ATOM 444 CA ASP A 33 12.271 -4.311 3.764 1.00 0.00 C ATOM 445 C ASP A 33 11.148 -3.306 3.528 1.00 0.00 C ATOM 446 O ASP A 33 11.384 -2.199 3.044 1.00 0.00 O ATOM 447 CB ASP A 33 12.259 -5.375 2.666 1.00 0.00 C ATOM 448 CG ASP A 33 13.623 -6.003 2.453 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.138 -6.637 3.398 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.174 -5.861 1.342 1.00 0.00 O ATOM 0 H ASP A 33 12.023 -5.949 5.051 1.00 0.00 H new ATOM 0 HA ASP A 33 13.222 -3.779 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.541 -6.153 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.919 -4.926 1.733 1.00 0.00 H new ATOM 455 N ILE A 34 9.927 -3.700 3.873 1.00 0.00 N ATOM 456 CA ILE A 34 8.767 -2.834 3.699 1.00 0.00 C ATOM 457 C ILE A 34 8.863 -1.601 4.591 1.00 0.00 C ATOM 458 O ILE A 34 8.470 -0.503 4.197 1.00 0.00 O ATOM 459 CB ILE A 34 7.456 -3.578 4.011 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.351 -4.848 3.164 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.260 -2.671 3.764 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.277 -5.803 3.635 1.00 0.00 C ATOM 0 H ILE A 34 9.715 -4.613 4.275 1.00 0.00 H new ATOM 0 HA ILE A 34 8.759 -2.524 2.654 1.00 0.00 H new ATOM 0 HB ILE A 34 7.460 -3.864 5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.149 -4.569 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.312 -5.362 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.341 -3.212 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.331 -1.793 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.250 -2.358 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.261 -6.680 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.488 -6.112 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.307 -5.307 3.598 1.00 0.00 H new ATOM 474 N LYS A 35 9.390 -1.789 5.797 1.00 0.00 N ATOM 475 CA LYS A 35 9.542 -0.693 6.746 1.00 0.00 C ATOM 476 C LYS A 35 10.539 0.339 6.230 1.00 0.00 C ATOM 477 O LYS A 35 10.279 1.542 6.268 1.00 0.00 O ATOM 478 CB LYS A 35 10.001 -1.227 8.104 1.00 0.00 C ATOM 479 CG LYS A 35 8.857 -1.621 9.022 1.00 0.00 C ATOM 480 CD LYS A 35 9.366 -2.164 10.347 1.00 0.00 C ATOM 481 CE LYS A 35 8.220 -2.482 11.295 1.00 0.00 C ATOM 482 NZ LYS A 35 8.642 -2.398 12.721 1.00 0.00 N ATOM 0 H LYS A 35 9.719 -2.692 6.140 1.00 0.00 H new ATOM 0 HA LYS A 35 8.572 -0.209 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.643 -2.093 7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.607 -0.467 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.220 -0.755 9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.239 -2.374 8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.954 -3.064 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.031 -1.434 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.398 -1.788 11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.843 -3.483 11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.834 -2.621 13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.409 -3.078 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.979 -1.436 12.927 1.00 0.00 H new ATOM 496 N LYS A 36 11.681 -0.138 5.747 1.00 0.00 N ATOM 497 CA LYS A 36 12.717 0.743 5.220 1.00 0.00 C ATOM 498 C LYS A 36 12.205 1.525 4.015 1.00 0.00 C ATOM 499 O LYS A 36 12.107 2.751 4.055 1.00 0.00 O ATOM 500 CB LYS A 36 13.954 -0.069 4.827 1.00 0.00 C ATOM 501 CG LYS A 36 14.671 -0.696 6.010 1.00 0.00 C ATOM 502 CD LYS A 36 15.991 -1.323 5.594 1.00 0.00 C ATOM 503 CE LYS A 36 15.775 -2.633 4.851 1.00 0.00 C ATOM 504 NZ LYS A 36 16.938 -2.980 3.988 1.00 0.00 N ATOM 0 H LYS A 36 11.913 -1.131 5.709 1.00 0.00 H new ATOM 0 HA LYS A 36 12.989 1.452 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.656 -0.856 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.649 0.579 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.852 0.063 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.033 -1.455 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.541 -0.629 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.605 -1.501 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.605 -3.434 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.877 -2.559 4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.752 -3.879 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.086 -2.228 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.790 -3.076 4.576 1.00 0.00 H new ATOM 518 N SER A 37 11.880 0.807 2.944 1.00 0.00 N ATOM 519 CA SER A 37 11.380 1.435 1.726 1.00 0.00 C ATOM 520 C SER A 37 10.276 2.439 2.046 1.00 0.00 C ATOM 521 O SER A 37 10.305 3.579 1.581 1.00 0.00 O ATOM 522 CB SER A 37 10.854 0.373 0.759 1.00 0.00 C ATOM 523 OG SER A 37 11.859 -0.576 0.448 1.00 0.00 O ATOM 0 H SER A 37 11.954 -0.209 2.895 1.00 0.00 H new ATOM 0 HA SER A 37 12.206 1.968 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.996 -0.133 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.505 0.851 -0.156 1.00 0.00 H new ATOM 0 HG SER A 37 11.890 -1.261 1.148 1.00 0.00 H new ATOM 529 N TYR A 38 9.305 2.007 2.843 1.00 0.00 N ATOM 530 CA TYR A 38 8.190 2.866 3.224 1.00 0.00 C ATOM 531 C TYR A 38 8.672 4.281 3.528 1.00 0.00 C ATOM 532 O TYR A 38 8.280 5.239 2.861 1.00 0.00 O ATOM 533 CB TYR A 38 7.468 2.289 4.442 1.00 0.00 C ATOM 534 CG TYR A 38 6.702 3.322 5.237 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.621 3.995 4.681 1.00 0.00 C ATOM 536 CD2 TYR A 38 7.060 3.626 6.545 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.919 4.940 5.404 1.00 0.00 C ATOM 538 CE2 TYR A 38 6.363 4.569 7.275 1.00 0.00 C ATOM 539 CZ TYR A 38 5.293 5.223 6.700 1.00 0.00 C ATOM 540 OH TYR A 38 4.597 6.164 7.424 1.00 0.00 O ATOM 0 H TYR A 38 9.267 1.067 3.238 1.00 0.00 H new ATOM 0 HA TYR A 38 7.495 2.910 2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.778 1.513 4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.199 1.810 5.094 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.324 3.776 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.897 3.116 6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.082 5.454 4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.654 4.793 8.291 1.00 0.00 H new ATOM 0 HH TYR A 38 4.988 6.243 8.319 1.00 0.00 H new ATOM 550 N ARG A 39 9.525 4.405 4.539 1.00 0.00 N ATOM 551 CA ARG A 39 10.061 5.702 4.933 1.00 0.00 C ATOM 552 C ARG A 39 10.393 6.548 3.707 1.00 0.00 C ATOM 553 O ARG A 39 9.895 7.664 3.556 1.00 0.00 O ATOM 554 CB ARG A 39 11.312 5.521 5.795 1.00 0.00 C ATOM 555 CG ARG A 39 11.039 4.850 7.131 1.00 0.00 C ATOM 556 CD ARG A 39 12.280 4.155 7.670 1.00 0.00 C ATOM 557 NE ARG A 39 12.018 3.468 8.931 1.00 0.00 N ATOM 558 CZ ARG A 39 12.954 2.839 9.634 1.00 0.00 C ATOM 559 NH1 ARG A 39 14.206 2.811 9.200 1.00 0.00 N ATOM 560 NH2 ARG A 39 12.637 2.236 10.773 1.00 0.00 N ATOM 0 H ARG A 39 9.860 3.622 5.101 1.00 0.00 H new ATOM 0 HA ARG A 39 9.299 6.220 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.041 4.928 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.764 6.497 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.697 5.594 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.235 4.123 7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.642 3.437 6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.073 4.889 7.815 1.00 0.00 H new ATOM 0 HE ARG A 39 11.064 3.471 9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.453 3.273 8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.923 2.328 9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.674 2.255 11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.356 1.753 11.312 1.00 0.00 H new ATOM 574 N LYS A 40 11.239 6.010 2.835 1.00 0.00 N ATOM 575 CA LYS A 40 11.638 6.713 1.622 1.00 0.00 C ATOM 576 C LYS A 40 10.417 7.190 0.842 1.00 0.00 C ATOM 577 O LYS A 40 10.350 8.344 0.418 1.00 0.00 O ATOM 578 CB LYS A 40 12.496 5.804 0.739 1.00 0.00 C ATOM 579 CG LYS A 40 13.733 5.268 1.439 1.00 0.00 C ATOM 580 CD LYS A 40 14.733 4.699 0.446 1.00 0.00 C ATOM 581 CE LYS A 40 14.472 3.226 0.175 1.00 0.00 C ATOM 582 NZ LYS A 40 14.829 2.375 1.344 1.00 0.00 N ATOM 0 H LYS A 40 11.662 5.088 2.946 1.00 0.00 H new ATOM 0 HA LYS A 40 12.224 7.584 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.889 4.965 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.802 6.358 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.203 6.067 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.443 4.494 2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.677 5.257 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.744 4.825 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.420 3.083 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.048 2.909 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.849 1.377 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.766 2.650 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.122 2.503 2.096 1.00 0.00 H new ATOM 596 N LEU A 41 9.451 6.296 0.659 1.00 0.00 N ATOM 597 CA LEU A 41 8.231 6.626 -0.068 1.00 0.00 C ATOM 598 C LEU A 41 7.421 7.682 0.678 1.00 0.00 C ATOM 599 O LEU A 41 6.428 8.194 0.164 1.00 0.00 O ATOM 600 CB LEU A 41 7.383 5.370 -0.277 1.00 0.00 C ATOM 601 CG LEU A 41 8.111 4.157 -0.857 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.316 2.886 -0.604 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.359 4.346 -2.347 1.00 0.00 C ATOM 0 H LEU A 41 9.490 5.337 1.004 1.00 0.00 H new ATOM 0 HA LEU A 41 8.515 7.031 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.950 5.085 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.554 5.622 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 41 9.075 4.063 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.850 2.033 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.191 2.743 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.337 2.969 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.878 3.473 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.406 4.466 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.971 5.234 -2.504 1.00 0.00 H new ATOM 615 N ALA A 42 7.855 8.003 1.892 1.00 0.00 N ATOM 616 CA ALA A 42 7.173 9.001 2.707 1.00 0.00 C ATOM 617 C ALA A 42 7.815 10.375 2.544 1.00 0.00 C ATOM 618 O ALA A 42 7.155 11.403 2.705 1.00 0.00 O ATOM 619 CB ALA A 42 7.181 8.583 4.170 1.00 0.00 C ATOM 0 H ALA A 42 8.675 7.587 2.333 1.00 0.00 H new ATOM 0 HA ALA A 42 6.140 9.069 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.668 9.337 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.670 7.626 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.210 8.485 4.515 1.00 0.00 H new ATOM 625 N LEU A 43 9.104 10.386 2.226 1.00 0.00 N ATOM 626 CA LEU A 43 9.836 11.634 2.042 1.00 0.00 C ATOM 627 C LEU A 43 9.518 12.257 0.687 1.00 0.00 C ATOM 628 O LEU A 43 9.553 13.478 0.528 1.00 0.00 O ATOM 629 CB LEU A 43 11.341 11.389 2.162 1.00 0.00 C ATOM 630 CG LEU A 43 11.886 11.244 3.583 1.00 0.00 C ATOM 631 CD1 LEU A 43 11.666 9.831 4.099 1.00 0.00 C ATOM 632 CD2 LEU A 43 13.364 11.605 3.627 1.00 0.00 C ATOM 0 H LEU A 43 9.664 9.545 2.090 1.00 0.00 H new ATOM 0 HA LEU A 43 9.524 12.327 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.587 10.484 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.863 12.214 1.676 1.00 0.00 H new ATOM 0 HG LEU A 43 11.344 11.933 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.061 9.748 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.599 9.608 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.180 9.122 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.735 11.496 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.921 10.941 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.496 12.637 3.301 1.00 0.00 H new ATOM 644 N LYS A 44 9.205 11.411 -0.289 1.00 0.00 N ATOM 645 CA LYS A 44 8.876 11.878 -1.631 1.00 0.00 C ATOM 646 C LYS A 44 7.405 12.271 -1.725 1.00 0.00 C ATOM 647 O LYS A 44 7.057 13.260 -2.371 1.00 0.00 O ATOM 648 CB LYS A 44 9.191 10.792 -2.662 1.00 0.00 C ATOM 649 CG LYS A 44 8.110 9.731 -2.778 1.00 0.00 C ATOM 650 CD LYS A 44 8.595 8.525 -3.564 1.00 0.00 C ATOM 651 CE LYS A 44 8.579 8.793 -5.061 1.00 0.00 C ATOM 652 NZ LYS A 44 9.085 7.628 -5.839 1.00 0.00 N ATOM 0 H LYS A 44 9.172 10.398 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 44 9.483 12.758 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.336 11.259 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.132 10.312 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.799 9.416 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.233 10.156 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.607 8.267 -3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.963 7.665 -3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.562 9.027 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.190 9.669 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.058 7.851 -6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.064 7.420 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.487 6.798 -5.650 1.00 0.00 H new ATOM 666 N TYR A 45 6.547 11.493 -1.075 1.00 0.00 N ATOM 667 CA TYR A 45 5.113 11.760 -1.087 1.00 0.00 C ATOM 668 C TYR A 45 4.665 12.384 0.231 1.00 0.00 C ATOM 669 O TYR A 45 3.522 12.212 0.656 1.00 0.00 O ATOM 670 CB TYR A 45 4.335 10.469 -1.344 1.00 0.00 C ATOM 671 CG TYR A 45 4.613 9.853 -2.697 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.249 10.507 -3.867 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.240 8.618 -2.803 1.00 0.00 C ATOM 674 CE1 TYR A 45 4.501 9.947 -5.105 1.00 0.00 C ATOM 675 CE2 TYR A 45 5.497 8.052 -4.037 1.00 0.00 C ATOM 676 CZ TYR A 45 5.125 8.720 -5.185 1.00 0.00 C ATOM 677 OH TYR A 45 5.379 8.160 -6.416 1.00 0.00 O ATOM 0 H TYR A 45 6.819 10.673 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 45 4.907 12.466 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.582 9.745 -0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.268 10.675 -1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.761 11.469 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.531 8.092 -1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.211 10.468 -6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.987 7.092 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 45 5.825 7.295 -6.296 1.00 0.00 H new ATOM 687 N HIS A 46 5.574 13.110 0.875 1.00 0.00 N ATOM 688 CA HIS A 46 5.273 13.761 2.145 1.00 0.00 C ATOM 689 C HIS A 46 4.174 14.806 1.972 1.00 0.00 C ATOM 690 O HIS A 46 4.126 15.533 0.980 1.00 0.00 O ATOM 691 CB HIS A 46 6.531 14.416 2.716 1.00 0.00 C ATOM 692 CG HIS A 46 6.554 14.464 4.213 1.00 0.00 C ATOM 693 ND1 HIS A 46 6.096 15.543 4.939 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.981 13.556 5.121 1.00 0.00 C ATOM 695 CE1 HIS A 46 6.243 15.298 6.229 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.778 14.098 6.366 1.00 0.00 N ATOM 0 H HIS A 46 6.525 13.262 0.538 1.00 0.00 H new ATOM 0 HA HIS A 46 4.920 13.000 2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.406 13.870 2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.611 15.431 2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.403 12.585 4.906 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.972 15.965 7.034 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.004 13.647 7.253 1.00 0.00 H new ATOM 704 N PRO A 47 3.270 14.883 2.960 1.00 0.00 N ATOM 705 CA PRO A 47 2.156 15.835 2.941 1.00 0.00 C ATOM 706 C PRO A 47 2.621 17.275 3.121 1.00 0.00 C ATOM 707 O PRO A 47 2.005 18.206 2.601 1.00 0.00 O ATOM 708 CB PRO A 47 1.295 15.397 4.128 1.00 0.00 C ATOM 709 CG PRO A 47 2.242 14.711 5.050 1.00 0.00 C ATOM 710 CD PRO A 47 3.267 14.047 4.172 1.00 0.00 C ATOM 0 HA PRO A 47 1.627 15.825 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.822 16.252 4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.496 14.727 3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.712 15.424 5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.723 13.978 5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.248 14.023 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.996 13.015 3.948 1.00 0.00 H new ATOM 718 N ASP A 48 3.709 17.452 3.862 1.00 0.00 N ATOM 719 CA ASP A 48 4.258 18.780 4.110 1.00 0.00 C ATOM 720 C ASP A 48 4.959 19.320 2.867 1.00 0.00 C ATOM 721 O ASP A 48 4.813 20.492 2.518 1.00 0.00 O ATOM 722 CB ASP A 48 5.236 18.740 5.285 1.00 0.00 C ATOM 723 CG ASP A 48 5.330 20.071 6.006 1.00 0.00 C ATOM 724 OD1 ASP A 48 4.462 20.346 6.860 1.00 0.00 O ATOM 725 OD2 ASP A 48 6.273 20.836 5.716 1.00 0.00 O ATOM 0 H ASP A 48 4.229 16.692 4.302 1.00 0.00 H new ATOM 0 HA ASP A 48 3.432 19.447 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.922 17.970 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.224 18.456 4.922 1.00 0.00 H new ATOM 730 N LYS A 49 5.721 18.458 2.202 1.00 0.00 N ATOM 731 CA LYS A 49 6.445 18.846 0.998 1.00 0.00 C ATOM 732 C LYS A 49 5.480 19.124 -0.151 1.00 0.00 C ATOM 733 O LYS A 49 5.740 19.976 -0.999 1.00 0.00 O ATOM 734 CB LYS A 49 7.432 17.748 0.595 1.00 0.00 C ATOM 735 CG LYS A 49 8.340 17.301 1.728 1.00 0.00 C ATOM 736 CD LYS A 49 9.605 18.140 1.792 1.00 0.00 C ATOM 737 CE LYS A 49 9.422 19.357 2.685 1.00 0.00 C ATOM 738 NZ LYS A 49 10.720 19.847 3.227 1.00 0.00 N ATOM 0 H LYS A 49 5.853 17.485 2.477 1.00 0.00 H new ATOM 0 HA LYS A 49 6.997 19.760 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.874 16.887 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.046 18.108 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.805 17.375 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.604 16.252 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.428 17.532 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.880 18.462 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.941 20.154 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.756 19.105 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.553 20.677 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.168 19.095 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.347 20.111 2.440 1.00 0.00 H new ATOM 752 N ASN A 50 4.366 18.399 -0.171 1.00 0.00 N ATOM 753 CA ASN A 50 3.363 18.569 -1.215 1.00 0.00 C ATOM 754 C ASN A 50 2.049 19.078 -0.630 1.00 0.00 C ATOM 755 O ASN A 50 1.116 18.315 -0.377 1.00 0.00 O ATOM 756 CB ASN A 50 3.129 17.245 -1.946 1.00 0.00 C ATOM 757 CG ASN A 50 4.417 16.637 -2.467 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.731 16.743 -3.653 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.169 15.996 -1.581 1.00 0.00 N ATOM 0 H ASN A 50 4.136 17.689 0.524 1.00 0.00 H new ATOM 0 HA ASN A 50 3.735 19.308 -1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.645 16.540 -1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.445 17.409 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.047 15.566 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.869 15.933 -0.608 1.00 0.00 H new ATOM 766 N PRO A 51 1.972 20.399 -0.409 1.00 0.00 N ATOM 767 CA PRO A 51 0.777 21.040 0.147 1.00 0.00 C ATOM 768 C PRO A 51 -0.392 21.036 -0.831 1.00 0.00 C ATOM 769 O PRO A 51 -0.253 21.453 -1.981 1.00 0.00 O ATOM 770 CB PRO A 51 1.240 22.473 0.422 1.00 0.00 C ATOM 771 CG PRO A 51 2.363 22.698 -0.530 1.00 0.00 C ATOM 772 CD PRO A 51 3.045 21.368 -0.687 1.00 0.00 C ATOM 0 HA PRO A 51 0.409 20.519 1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.433 23.188 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.567 22.592 1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.995 23.063 -1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.055 23.449 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.451 21.241 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.876 21.258 0.010 1.00 0.00 H new ATOM 780 N ASP A 52 -1.544 20.564 -0.368 1.00 0.00 N ATOM 781 CA ASP A 52 -2.738 20.507 -1.202 1.00 0.00 C ATOM 782 C ASP A 52 -2.412 19.941 -2.581 1.00 0.00 C ATOM 783 O ASP A 52 -2.842 20.477 -3.601 1.00 0.00 O ATOM 784 CB ASP A 52 -3.355 21.900 -1.342 1.00 0.00 C ATOM 785 CG ASP A 52 -2.539 22.806 -2.244 1.00 0.00 C ATOM 786 OD1 ASP A 52 -1.585 23.436 -1.744 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.856 22.885 -3.450 1.00 0.00 O ATOM 0 H ASP A 52 -1.676 20.215 0.581 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.457 19.846 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.365 21.808 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.442 22.357 -0.356 1.00 0.00 H new ATOM 792 N ASN A 53 -1.648 18.853 -2.602 1.00 0.00 N ATOM 793 CA ASN A 53 -1.263 18.215 -3.855 1.00 0.00 C ATOM 794 C ASN A 53 -1.845 16.808 -3.951 1.00 0.00 C ATOM 795 O ASN A 53 -1.600 15.949 -3.104 1.00 0.00 O ATOM 796 CB ASN A 53 0.262 18.157 -3.974 1.00 0.00 C ATOM 797 CG ASN A 53 0.732 18.218 -5.415 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.007 18.678 -6.297 1.00 0.00 O ATOM 799 ND2 ASN A 53 1.951 17.752 -5.660 1.00 0.00 N ATOM 0 H ASN A 53 -1.284 18.396 -1.766 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.663 18.811 -4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.699 18.986 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.625 17.237 -3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.321 17.766 -6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.517 17.380 -4.898 1.00 0.00 H new ATOM 806 N PRO A 54 -2.636 16.565 -5.007 1.00 0.00 N ATOM 807 CA PRO A 54 -3.269 15.264 -5.239 1.00 0.00 C ATOM 808 C PRO A 54 -2.259 14.188 -5.624 1.00 0.00 C ATOM 809 O PRO A 54 -2.343 13.052 -5.161 1.00 0.00 O ATOM 810 CB PRO A 54 -4.227 15.538 -6.401 1.00 0.00 C ATOM 811 CG PRO A 54 -3.635 16.704 -7.113 1.00 0.00 C ATOM 812 CD PRO A 54 -2.972 17.543 -6.056 1.00 0.00 C ATOM 0 HA PRO A 54 -3.761 14.885 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.309 14.673 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.231 15.762 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.913 16.378 -7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.403 17.272 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.083 18.043 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.639 18.320 -5.683 1.00 0.00 H new ATOM 820 N GLU A 55 -1.305 14.556 -6.474 1.00 0.00 N ATOM 821 CA GLU A 55 -0.279 13.621 -6.921 1.00 0.00 C ATOM 822 C GLU A 55 0.474 13.030 -5.733 1.00 0.00 C ATOM 823 O GLU A 55 0.816 11.849 -5.726 1.00 0.00 O ATOM 824 CB GLU A 55 0.702 14.318 -7.865 1.00 0.00 C ATOM 825 CG GLU A 55 1.537 15.393 -7.189 1.00 0.00 C ATOM 826 CD GLU A 55 2.662 15.898 -8.072 1.00 0.00 C ATOM 827 OE1 GLU A 55 2.404 16.172 -9.262 1.00 0.00 O ATOM 828 OE2 GLU A 55 3.800 16.019 -7.572 1.00 0.00 O ATOM 0 H GLU A 55 -1.221 15.494 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.772 12.810 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.368 13.572 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.145 14.766 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.893 16.228 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.956 14.995 -6.265 1.00 0.00 H new ATOM 835 N ALA A 56 0.728 13.863 -4.728 1.00 0.00 N ATOM 836 CA ALA A 56 1.439 13.424 -3.534 1.00 0.00 C ATOM 837 C ALA A 56 0.516 12.651 -2.599 1.00 0.00 C ATOM 838 O ALA A 56 0.804 11.513 -2.228 1.00 0.00 O ATOM 839 CB ALA A 56 2.045 14.619 -2.812 1.00 0.00 C ATOM 0 H ALA A 56 0.452 14.845 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 56 2.242 12.755 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.573 14.277 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.744 15.129 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.253 15.308 -2.521 1.00 0.00 H new ATOM 845 N ALA A 57 -0.594 13.276 -2.220 1.00 0.00 N ATOM 846 CA ALA A 57 -1.560 12.645 -1.329 1.00 0.00 C ATOM 847 C ALA A 57 -2.101 11.353 -1.932 1.00 0.00 C ATOM 848 O ALA A 57 -1.993 10.284 -1.332 1.00 0.00 O ATOM 849 CB ALA A 57 -2.699 13.605 -1.021 1.00 0.00 C ATOM 0 H ALA A 57 -0.847 14.219 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.050 12.394 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.413 13.121 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.302 14.498 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.200 13.885 -1.948 1.00 0.00 H new ATOM 855 N ASP A 58 -2.684 11.460 -3.121 1.00 0.00 N ATOM 856 CA ASP A 58 -3.243 10.300 -3.806 1.00 0.00 C ATOM 857 C ASP A 58 -2.365 9.071 -3.596 1.00 0.00 C ATOM 858 O ASP A 58 -2.866 7.965 -3.389 1.00 0.00 O ATOM 859 CB ASP A 58 -3.392 10.587 -5.301 1.00 0.00 C ATOM 860 CG ASP A 58 -4.175 9.508 -6.022 1.00 0.00 C ATOM 861 OD1 ASP A 58 -3.677 8.365 -6.100 1.00 0.00 O ATOM 862 OD2 ASP A 58 -5.286 9.805 -6.509 1.00 0.00 O ATOM 0 H ASP A 58 -2.782 12.338 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.227 10.098 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.892 11.546 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.403 10.677 -5.751 1.00 0.00 H new ATOM 867 N LYS A 59 -1.053 9.270 -3.651 1.00 0.00 N ATOM 868 CA LYS A 59 -0.104 8.179 -3.467 1.00 0.00 C ATOM 869 C LYS A 59 0.074 7.856 -1.987 1.00 0.00 C ATOM 870 O LYS A 59 -0.122 6.718 -1.561 1.00 0.00 O ATOM 871 CB LYS A 59 1.248 8.541 -4.087 1.00 0.00 C ATOM 872 CG LYS A 59 1.252 8.497 -5.605 1.00 0.00 C ATOM 873 CD LYS A 59 1.431 7.080 -6.122 1.00 0.00 C ATOM 874 CE LYS A 59 0.892 6.929 -7.536 1.00 0.00 C ATOM 875 NZ LYS A 59 -0.574 7.181 -7.600 1.00 0.00 N ATOM 0 H LYS A 59 -0.622 10.179 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.502 7.297 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.532 9.541 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.007 7.855 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.316 8.908 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.055 9.128 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.489 6.816 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.918 6.383 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.409 7.624 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.104 5.924 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.045 6.377 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.949 7.294 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.754 8.048 -8.146 1.00 0.00 H new ATOM 889 N PHE A 60 0.446 8.866 -1.206 1.00 0.00 N ATOM 890 CA PHE A 60 0.649 8.689 0.227 1.00 0.00 C ATOM 891 C PHE A 60 -0.497 7.894 0.845 1.00 0.00 C ATOM 892 O PHE A 60 -0.279 6.872 1.496 1.00 0.00 O ATOM 893 CB PHE A 60 0.772 10.049 0.917 1.00 0.00 C ATOM 894 CG PHE A 60 1.390 9.974 2.284 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.655 9.437 2.459 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.705 10.440 3.395 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.225 9.366 3.715 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.270 10.372 4.654 1.00 0.00 C ATOM 899 CZ PHE A 60 2.533 9.835 4.815 1.00 0.00 C ATOM 0 H PHE A 60 0.613 9.815 -1.542 1.00 0.00 H new ATOM 0 HA PHE A 60 1.574 8.131 0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.371 10.712 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.218 10.497 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.202 9.070 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.282 10.861 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.212 8.944 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.725 10.738 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.978 9.782 5.798 1.00 0.00 H new ATOM 909 N LYS A 61 -1.720 8.371 0.638 1.00 0.00 N ATOM 910 CA LYS A 61 -2.902 7.707 1.173 1.00 0.00 C ATOM 911 C LYS A 61 -2.803 6.195 0.996 1.00 0.00 C ATOM 912 O LYS A 61 -3.367 5.432 1.779 1.00 0.00 O ATOM 913 CB LYS A 61 -4.163 8.230 0.482 1.00 0.00 C ATOM 914 CG LYS A 61 -4.173 8.004 -1.020 1.00 0.00 C ATOM 915 CD LYS A 61 -5.589 7.909 -1.560 1.00 0.00 C ATOM 916 CE LYS A 61 -6.388 9.166 -1.254 1.00 0.00 C ATOM 917 NZ LYS A 61 -6.268 10.178 -2.340 1.00 0.00 N ATOM 0 H LYS A 61 -1.918 9.216 0.103 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.961 7.928 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.035 7.744 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.260 9.297 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.648 8.821 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.631 7.088 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.558 7.750 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.089 7.044 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.437 8.905 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.040 9.598 -0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.158 10.711 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.490 10.833 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.072 9.698 -3.242 1.00 0.00 H new ATOM 931 N GLU A 62 -2.082 5.770 -0.037 1.00 0.00 N ATOM 932 CA GLU A 62 -1.909 4.349 -0.314 1.00 0.00 C ATOM 933 C GLU A 62 -0.679 3.800 0.402 1.00 0.00 C ATOM 934 O GLU A 62 -0.685 2.671 0.892 1.00 0.00 O ATOM 935 CB GLU A 62 -1.784 4.113 -1.821 1.00 0.00 C ATOM 936 CG GLU A 62 -3.111 3.832 -2.505 1.00 0.00 C ATOM 937 CD GLU A 62 -3.448 2.354 -2.542 1.00 0.00 C ATOM 938 OE1 GLU A 62 -2.521 1.538 -2.732 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.638 2.013 -2.381 1.00 0.00 O ATOM 0 H GLU A 62 -1.609 6.389 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.788 3.823 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.326 4.989 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.111 3.274 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.904 4.369 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.079 4.219 -3.523 1.00 0.00 H new ATOM 946 N ILE A 63 0.375 4.607 0.457 1.00 0.00 N ATOM 947 CA ILE A 63 1.613 4.203 1.113 1.00 0.00 C ATOM 948 C ILE A 63 1.388 3.944 2.599 1.00 0.00 C ATOM 949 O ILE A 63 1.851 2.941 3.141 1.00 0.00 O ATOM 950 CB ILE A 63 2.711 5.271 0.951 1.00 0.00 C ATOM 951 CG1 ILE A 63 2.805 5.719 -0.509 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.049 4.731 1.432 1.00 0.00 C ATOM 953 CD1 ILE A 63 3.906 6.725 -0.763 1.00 0.00 C ATOM 0 H ILE A 63 0.397 5.544 0.055 1.00 0.00 H new ATOM 0 HA ILE A 63 1.939 3.282 0.631 1.00 0.00 H new ATOM 0 HB ILE A 63 2.450 6.136 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.970 4.845 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.851 6.153 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.815 5.497 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.973 4.456 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.319 3.853 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.914 6.997 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.731 7.616 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.868 6.288 -0.494 1.00 0.00 H new ATOM 965 N ASN A 64 0.672 4.854 3.251 1.00 0.00 N ATOM 966 CA ASN A 64 0.384 4.723 4.675 1.00 0.00 C ATOM 967 C ASN A 64 -0.300 3.391 4.971 1.00 0.00 C ATOM 968 O ASN A 64 0.169 2.612 5.800 1.00 0.00 O ATOM 969 CB ASN A 64 -0.501 5.879 5.146 1.00 0.00 C ATOM 970 CG ASN A 64 -1.979 5.561 5.031 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.529 4.812 5.838 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.629 6.129 4.022 1.00 0.00 N ATOM 0 H ASN A 64 0.281 5.690 2.817 1.00 0.00 H new ATOM 0 HA ASN A 64 1.330 4.754 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.263 6.116 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.277 6.768 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.625 5.951 3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.132 6.743 3.377 1.00 0.00 H new ATOM 979 N ASN A 65 -1.411 3.138 4.287 1.00 0.00 N ATOM 980 CA ASN A 65 -2.160 1.901 4.477 1.00 0.00 C ATOM 981 C ASN A 65 -1.321 0.690 4.079 1.00 0.00 C ATOM 982 O ASN A 65 -1.285 -0.314 4.789 1.00 0.00 O ATOM 983 CB ASN A 65 -3.452 1.932 3.658 1.00 0.00 C ATOM 984 CG ASN A 65 -3.264 1.371 2.261 1.00 0.00 C ATOM 985 OD1 ASN A 65 -3.357 2.097 1.271 1.00 0.00 O ATOM 986 ND2 ASN A 65 -2.999 0.073 2.175 1.00 0.00 N ATOM 0 H ASN A 65 -1.812 3.773 3.597 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.410 1.816 5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.221 1.360 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.811 2.959 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.863 -0.360 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.931 -0.491 3.022 1.00 0.00 H new ATOM 993 N ALA A 66 -0.646 0.794 2.938 1.00 0.00 N ATOM 994 CA ALA A 66 0.194 -0.290 2.447 1.00 0.00 C ATOM 995 C ALA A 66 1.253 -0.674 3.475 1.00 0.00 C ATOM 996 O ALA A 66 1.475 -1.855 3.741 1.00 0.00 O ATOM 997 CB ALA A 66 0.852 0.106 1.133 1.00 0.00 C ATOM 0 H ALA A 66 -0.665 1.618 2.337 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.441 -1.159 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.477 -0.713 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.083 0.324 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.468 0.992 1.287 1.00 0.00 H new ATOM 1003 N HIS A 67 1.904 0.332 4.051 1.00 0.00 N ATOM 1004 CA HIS A 67 2.940 0.099 5.051 1.00 0.00 C ATOM 1005 C HIS A 67 2.322 -0.191 6.415 1.00 0.00 C ATOM 1006 O HIS A 67 2.983 -0.725 7.306 1.00 0.00 O ATOM 1007 CB HIS A 67 3.868 1.311 5.146 1.00 0.00 C ATOM 1008 CG HIS A 67 4.578 1.419 6.460 1.00 0.00 C ATOM 1009 ND1 HIS A 67 4.046 2.072 7.552 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.786 0.952 6.855 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.896 2.003 8.561 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.960 1.328 8.164 1.00 0.00 N ATOM 0 H HIS A 67 1.732 1.316 3.842 1.00 0.00 H new ATOM 0 HA HIS A 67 3.520 -0.770 4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.607 1.256 4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.286 2.218 4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.483 0.389 6.252 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.746 2.426 9.543 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.778 1.120 8.737 1.00 0.00 H new ATOM 1020 N ALA A 68 1.051 0.163 6.572 1.00 0.00 N ATOM 1021 CA ALA A 68 0.344 -0.061 7.827 1.00 0.00 C ATOM 1022 C ALA A 68 -0.106 -1.512 7.952 1.00 0.00 C ATOM 1023 O ALA A 68 0.226 -2.193 8.923 1.00 0.00 O ATOM 1024 CB ALA A 68 -0.850 0.876 7.934 1.00 0.00 C ATOM 0 H ALA A 68 0.489 0.606 5.845 1.00 0.00 H new ATOM 0 HA ALA A 68 1.032 0.150 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.369 0.698 8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.506 1.910 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.532 0.693 7.104 1.00 0.00 H new ATOM 1030 N ILE A 69 -0.863 -1.979 6.965 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.357 -3.350 6.965 1.00 0.00 C ATOM 1032 C ILE A 69 -0.218 -4.346 7.156 1.00 0.00 C ATOM 1033 O ILE A 69 -0.217 -5.131 8.105 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.099 -3.682 5.657 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.272 -2.720 5.453 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.586 -5.123 5.674 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -3.792 -2.695 4.033 1.00 0.00 C ATOM 0 H ILE A 69 -1.148 -1.428 6.155 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.053 -3.433 7.800 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.406 -3.564 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.084 -3.002 6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.960 -1.714 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.108 -5.342 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.733 -5.794 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.266 -5.267 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.622 -1.992 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.994 -2.384 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.135 -3.691 3.754 1.00 0.00 H new ATOM 1049 N LEU A 70 0.752 -4.307 6.250 1.00 0.00 N ATOM 1050 CA LEU A 70 1.900 -5.204 6.319 1.00 0.00 C ATOM 1051 C LEU A 70 2.552 -5.150 7.697 1.00 0.00 C ATOM 1052 O LEU A 70 2.525 -6.125 8.448 1.00 0.00 O ATOM 1053 CB LEU A 70 2.924 -4.838 5.243 1.00 0.00 C ATOM 1054 CG LEU A 70 2.463 -5.003 3.794 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.467 -4.373 2.840 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.259 -6.474 3.463 1.00 0.00 C ATOM 0 H LEU A 70 0.767 -3.664 5.459 1.00 0.00 H new ATOM 0 HA LEU A 70 1.546 -6.220 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.223 -3.800 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.813 -5.451 5.392 1.00 0.00 H new ATOM 0 HG LEU A 70 1.509 -4.490 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.123 -4.500 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.562 -3.310 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.436 -4.857 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.931 -6.572 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.198 -7.011 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.502 -6.894 4.125 1.00 0.00 H new ATOM 1068 N THR A 71 3.137 -4.002 8.024 1.00 0.00 N ATOM 1069 CA THR A 71 3.795 -3.819 9.312 1.00 0.00 C ATOM 1070 C THR A 71 2.940 -4.366 10.449 1.00 0.00 C ATOM 1071 O THR A 71 3.461 -4.878 11.439 1.00 0.00 O ATOM 1072 CB THR A 71 4.098 -2.333 9.582 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.880 -1.580 9.601 1.00 0.00 O ATOM 1074 CG2 THR A 71 5.032 -1.770 8.521 1.00 0.00 C ATOM 0 H THR A 71 3.169 -3.185 7.414 1.00 0.00 H new ATOM 0 HA THR A 71 4.734 -4.372 9.269 1.00 0.00 H new ATOM 0 HB THR A 71 4.588 -2.255 10.553 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.564 -1.445 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.232 -0.720 8.732 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.969 -2.326 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.565 -1.860 7.540 1.00 0.00 H new ATOM 1082 N ASP A 72 1.624 -4.255 10.299 1.00 0.00 N ATOM 1083 CA ASP A 72 0.696 -4.741 11.314 1.00 0.00 C ATOM 1084 C ASP A 72 0.503 -6.249 11.196 1.00 0.00 C ATOM 1085 O ASP A 72 0.248 -6.769 10.110 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.652 -4.030 11.184 1.00 0.00 C ATOM 1087 CG ASP A 72 -0.658 -2.672 11.860 1.00 0.00 C ATOM 1088 OD1 ASP A 72 0.241 -1.859 11.563 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.562 -2.424 12.686 1.00 0.00 O ATOM 0 H ASP A 72 1.176 -3.833 9.485 1.00 0.00 H new ATOM 0 HA ASP A 72 1.120 -4.523 12.294 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.895 -3.908 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.432 -4.654 11.621 1.00 0.00 H new ATOM 1094 N ALA A 73 0.627 -6.946 12.321 1.00 0.00 N ATOM 1095 CA ALA A 73 0.465 -8.395 12.343 1.00 0.00 C ATOM 1096 C ALA A 73 -1.002 -8.785 12.210 1.00 0.00 C ATOM 1097 O ALA A 73 -1.353 -9.666 11.424 1.00 0.00 O ATOM 1098 CB ALA A 73 1.053 -8.971 13.623 1.00 0.00 C ATOM 0 H ALA A 73 0.839 -6.531 13.228 1.00 0.00 H new ATOM 0 HA ALA A 73 1.002 -8.810 11.490 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.926 -10.054 13.627 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.115 -8.730 13.676 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.540 -8.542 14.484 1.00 0.00 H new ATOM 1104 N THR A 74 -1.859 -8.125 12.983 1.00 0.00 N ATOM 1105 CA THR A 74 -3.289 -8.404 12.953 1.00 0.00 C ATOM 1106 C THR A 74 -3.826 -8.366 11.527 1.00 0.00 C ATOM 1107 O THR A 74 -4.446 -9.322 11.060 1.00 0.00 O ATOM 1108 CB THR A 74 -4.076 -7.398 13.813 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.609 -7.439 15.166 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.566 -7.704 13.776 1.00 0.00 C ATOM 0 H THR A 74 -1.587 -7.392 13.638 1.00 0.00 H new ATOM 0 HA THR A 74 -3.425 -9.405 13.363 1.00 0.00 H new ATOM 0 HB THR A 74 -3.916 -6.400 13.404 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.113 -6.795 15.706 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.101 -6.980 14.391 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.925 -7.643 12.748 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.741 -8.708 14.162 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.585 -7.256 10.838 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.042 -7.093 9.463 1.00 0.00 C ATOM 1120 C LYS A 75 -3.280 -8.021 8.522 1.00 0.00 C ATOM 1121 O LYS A 75 -3.880 -8.816 7.799 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.869 -5.640 9.015 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.439 -4.629 9.995 1.00 0.00 C ATOM 1124 CD LYS A 75 -4.902 -3.367 9.287 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.328 -3.506 8.775 1.00 0.00 C ATOM 1126 NZ LYS A 75 -6.373 -4.121 7.419 1.00 0.00 N ATOM 0 H LYS A 75 -3.075 -6.455 11.210 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.099 -7.355 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.808 -5.437 8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.352 -5.507 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.276 -5.074 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.683 -4.374 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.841 -2.521 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.234 -3.151 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.905 -4.116 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.800 -2.524 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.896 -3.497 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.404 -4.252 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.850 -5.043 7.472 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.955 -7.914 8.539 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.112 -8.744 7.688 1.00 0.00 C ATOM 1142 C ARG A 76 -1.585 -10.195 7.701 1.00 0.00 C ATOM 1143 O ARG A 76 -1.681 -10.837 6.656 1.00 0.00 O ATOM 1144 CB ARG A 76 0.346 -8.668 8.147 1.00 0.00 C ATOM 1145 CG ARG A 76 1.286 -9.546 7.339 1.00 0.00 C ATOM 1146 CD ARG A 76 1.768 -8.838 6.082 1.00 0.00 C ATOM 1147 NE ARG A 76 2.534 -9.726 5.212 1.00 0.00 N ATOM 1148 CZ ARG A 76 3.789 -10.089 5.454 1.00 0.00 C ATOM 1149 NH1 ARG A 76 4.416 -9.641 6.533 1.00 0.00 N ATOM 1150 NH2 ARG A 76 4.419 -10.901 4.614 1.00 0.00 N ATOM 0 H ARG A 76 -1.443 -7.261 9.132 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.185 -8.365 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.684 -7.634 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.403 -8.958 9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.143 -9.824 7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.777 -10.470 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.910 -8.447 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.385 -7.984 6.361 1.00 0.00 H new ATOM 0 HE ARG A 76 2.081 -10.087 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.935 -9.016 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.379 -9.921 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.940 -11.246 3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.382 -11.180 4.800 1.00 0.00 H new ATOM 1164 N ASN A 77 -1.879 -10.705 8.893 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.341 -12.080 9.043 1.00 0.00 C ATOM 1166 C ASN A 77 -3.530 -12.357 8.129 1.00 0.00 C ATOM 1167 O ASN A 77 -3.656 -13.447 7.570 1.00 0.00 O ATOM 1168 CB ASN A 77 -2.726 -12.354 10.498 1.00 0.00 C ATOM 1169 CG ASN A 77 -2.740 -13.836 10.823 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -1.726 -14.521 10.691 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -3.893 -14.336 11.251 1.00 0.00 N ATOM 0 H ASN A 77 -1.805 -10.187 9.768 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.525 -12.745 8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.023 -11.846 11.159 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.711 -11.932 10.696 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.964 -15.326 11.486 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.708 -13.730 11.345 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.400 -11.363 7.981 1.00 0.00 N ATOM 1179 CA ILE A 78 -5.578 -11.499 7.134 1.00 0.00 C ATOM 1180 C ILE A 78 -5.191 -11.558 5.660 1.00 0.00 C ATOM 1181 O ILE A 78 -5.729 -12.362 4.898 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.563 -10.335 7.349 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.127 -10.371 8.771 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -7.688 -10.397 6.326 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.732 -9.057 9.214 1.00 0.00 C ATOM 0 H ILE A 78 -4.311 -10.455 8.437 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.065 -12.432 7.417 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.027 -9.396 7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.886 -11.151 8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.331 -10.647 9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.376 -9.568 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.271 -10.328 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.224 -11.340 6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.112 -9.156 10.231 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.970 -8.278 9.185 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.550 -8.790 8.546 1.00 0.00 H new ATOM 1197 N TYR A 79 -4.255 -10.702 5.266 1.00 0.00 N ATOM 1198 CA TYR A 79 -3.796 -10.656 3.883 1.00 0.00 C ATOM 1199 C TYR A 79 -3.159 -11.981 3.475 1.00 0.00 C ATOM 1200 O TYR A 79 -3.198 -12.368 2.307 1.00 0.00 O ATOM 1201 CB TYR A 79 -2.793 -9.516 3.694 1.00 0.00 C ATOM 1202 CG TYR A 79 -2.382 -9.304 2.255 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -1.307 -9.995 1.709 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -3.069 -8.413 1.440 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -0.927 -9.803 0.395 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.697 -8.216 0.124 1.00 0.00 C ATOM 1207 CZ TYR A 79 -1.625 -8.913 -0.394 1.00 0.00 C ATOM 1208 OH TYR A 79 -1.251 -8.720 -1.704 1.00 0.00 O ATOM 0 H TYR A 79 -3.799 -10.031 5.884 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.662 -10.479 3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.228 -8.593 4.079 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.904 -9.723 4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.759 -10.694 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.908 -7.865 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.088 -10.347 -0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.243 -7.520 -0.496 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.846 -8.062 -2.121 1.00 0.00 H new ATOM 1218 N ASP A 80 -2.575 -12.673 4.447 1.00 0.00 N ATOM 1219 CA ASP A 80 -1.931 -13.956 4.192 1.00 0.00 C ATOM 1220 C ASP A 80 -2.919 -14.950 3.590 1.00 0.00 C ATOM 1221 O ASP A 80 -2.663 -15.537 2.538 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.344 -14.522 5.486 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.139 -15.408 5.236 1.00 0.00 C ATOM 1224 OD1 ASP A 80 0.958 -14.863 4.994 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -0.293 -16.647 5.282 1.00 0.00 O ATOM 0 H ASP A 80 -2.534 -12.367 5.419 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.125 -13.794 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.057 -13.700 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.110 -15.094 6.009 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.050 -15.134 4.263 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.078 -16.056 3.795 1.00 0.00 C ATOM 1232 C LYS A 81 -6.137 -15.322 2.979 1.00 0.00 C ATOM 1233 O LYS A 81 -6.358 -15.632 1.809 1.00 0.00 O ATOM 1234 CB LYS A 81 -5.734 -16.765 4.982 1.00 0.00 C ATOM 1235 CG LYS A 81 -4.740 -17.268 6.015 1.00 0.00 C ATOM 1236 CD LYS A 81 -5.411 -17.525 7.354 1.00 0.00 C ATOM 1237 CE LYS A 81 -4.440 -17.331 8.510 1.00 0.00 C ATOM 1238 NZ LYS A 81 -3.671 -18.572 8.803 1.00 0.00 N ATOM 0 H LYS A 81 -4.278 -14.656 5.135 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.601 -16.798 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.431 -16.079 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.319 -17.607 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.275 -18.187 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.943 -16.536 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.259 -16.851 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.806 -18.541 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.748 -16.523 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.991 -17.027 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.021 -18.399 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.329 -19.337 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.125 -18.849 7.962 1.00 0.00 H new ATOM 1252 N TYR A 82 -6.788 -14.347 3.604 1.00 0.00 N ATOM 1253 CA TYR A 82 -7.824 -13.569 2.936 1.00 0.00 C ATOM 1254 C TYR A 82 -7.238 -12.751 1.790 1.00 0.00 C ATOM 1255 O TYR A 82 -7.641 -12.899 0.637 1.00 0.00 O ATOM 1256 CB TYR A 82 -8.519 -12.642 3.935 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.105 -13.366 5.126 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -8.308 -13.729 6.205 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.456 -13.686 5.174 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -8.838 -14.391 7.295 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.996 -14.347 6.261 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.183 -14.698 7.318 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.716 -15.356 8.403 1.00 0.00 O ATOM 0 H TYR A 82 -6.616 -14.077 4.572 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.556 -14.264 2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.803 -11.900 4.288 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.314 -12.100 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.255 -13.489 6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.095 -13.413 4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.204 -14.667 8.124 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.049 -14.587 6.282 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.676 -15.495 8.262 1.00 0.00 H new ATOM 1273 N GLY A 83 -6.281 -11.887 2.116 1.00 0.00 N ATOM 1274 CA GLY A 83 -5.653 -11.058 1.104 1.00 0.00 C ATOM 1275 C GLY A 83 -6.244 -9.663 1.048 1.00 0.00 C ATOM 1276 O GLY A 83 -6.056 -8.865 1.966 1.00 0.00 O ATOM 0 H GLY A 83 -5.930 -11.747 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.584 -10.989 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.762 -11.535 0.130 1.00 0.00 H new ATOM 1280 N SER A 84 -6.960 -9.368 -0.033 1.00 0.00 N ATOM 1281 CA SER A 84 -7.575 -8.058 -0.207 1.00 0.00 C ATOM 1282 C SER A 84 -9.041 -8.086 0.216 1.00 0.00 C ATOM 1283 O SER A 84 -9.564 -7.107 0.749 1.00 0.00 O ATOM 1284 CB SER A 84 -7.462 -7.608 -1.665 1.00 0.00 C ATOM 1285 OG SER A 84 -7.990 -8.586 -2.543 1.00 0.00 O ATOM 0 H SER A 84 -7.128 -10.018 -0.801 1.00 0.00 H new ATOM 0 HA SER A 84 -7.045 -7.348 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.995 -6.667 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.417 -7.420 -1.911 1.00 0.00 H new ATOM 0 HG SER A 84 -7.907 -8.274 -3.468 1.00 0.00 H new ATOM 1291 N LEU A 85 -9.698 -9.214 -0.027 1.00 0.00 N ATOM 1292 CA LEU A 85 -11.105 -9.372 0.328 1.00 0.00 C ATOM 1293 C LEU A 85 -11.310 -9.199 1.829 1.00 0.00 C ATOM 1294 O LEU A 85 -12.024 -8.298 2.269 1.00 0.00 O ATOM 1295 CB LEU A 85 -11.611 -10.746 -0.112 1.00 0.00 C ATOM 1296 CG LEU A 85 -13.126 -10.951 -0.065 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -13.831 -9.925 -0.938 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -13.488 -12.363 -0.500 1.00 0.00 C ATOM 0 H LEU A 85 -9.280 -10.033 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.674 -8.599 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.272 -10.926 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.143 -11.502 0.518 1.00 0.00 H new ATOM 0 HG LEU A 85 -13.459 -10.813 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -14.908 -10.087 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.599 -8.922 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -13.492 -10.030 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.570 -12.490 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.140 -12.530 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.013 -13.082 0.167 1.00 0.00 H new ATOM 1310 N GLY A 86 -10.677 -10.067 2.612 1.00 0.00 N ATOM 1311 CA GLY A 86 -10.801 -9.992 4.056 1.00 0.00 C ATOM 1312 C GLY A 86 -10.701 -8.571 4.573 1.00 0.00 C ATOM 1313 O GLY A 86 -11.446 -8.175 5.471 1.00 0.00 O ATOM 0 H GLY A 86 -10.080 -10.821 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.757 -10.419 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.021 -10.599 4.517 1.00 0.00 H new ATOM 1317 N LEU A 87 -9.779 -7.800 4.008 1.00 0.00 N ATOM 1318 CA LEU A 87 -9.583 -6.414 4.418 1.00 0.00 C ATOM 1319 C LEU A 87 -10.800 -5.565 4.068 1.00 0.00 C ATOM 1320 O LEU A 87 -11.281 -4.782 4.888 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.334 -5.836 3.750 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.018 -6.555 4.050 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -5.903 -6.017 3.167 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -6.654 -6.409 5.520 1.00 0.00 C ATOM 0 H LEU A 87 -9.155 -8.111 3.264 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.450 -6.396 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.489 -5.840 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.233 -4.794 4.054 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.147 -7.615 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.974 -6.540 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.161 -6.174 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.774 -4.951 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.715 -6.927 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.544 -5.352 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.442 -6.843 6.135 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.296 -5.727 2.846 1.00 0.00 N ATOM 1337 CA TYR A 88 -12.458 -4.975 2.387 1.00 0.00 C ATOM 1338 C TYR A 88 -13.639 -5.165 3.335 1.00 0.00 C ATOM 1339 O TYR A 88 -14.373 -4.221 3.627 1.00 0.00 O ATOM 1340 CB TYR A 88 -12.849 -5.412 0.974 1.00 0.00 C ATOM 1341 CG TYR A 88 -14.315 -5.215 0.663 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -14.869 -3.942 0.606 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.147 -6.302 0.424 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -16.208 -3.757 0.323 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -16.487 -6.127 0.139 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.013 -4.853 0.090 1.00 0.00 C ATOM 1347 OH TYR A 88 -18.347 -4.673 -0.194 1.00 0.00 O ATOM 0 H TYR A 88 -10.912 -6.372 2.156 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.193 -3.918 2.373 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.255 -4.852 0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -12.597 -6.465 0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -14.241 -3.082 0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.739 -7.301 0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -16.622 -2.760 0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.119 -6.983 -0.044 1.00 0.00 H new ATOM 0 HH TYR A 88 -18.772 -5.545 -0.333 1.00 0.00 H new ATOM 1357 N VAL A 89 -13.815 -6.393 3.812 1.00 0.00 N ATOM 1358 CA VAL A 89 -14.904 -6.708 4.728 1.00 0.00 C ATOM 1359 C VAL A 89 -14.590 -6.230 6.141 1.00 0.00 C ATOM 1360 O VAL A 89 -15.370 -5.497 6.747 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.190 -8.221 4.761 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.523 -8.499 5.438 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.166 -8.798 3.354 1.00 0.00 C ATOM 0 H VAL A 89 -13.217 -7.186 3.579 1.00 0.00 H new ATOM 0 HA VAL A 89 -15.788 -6.187 4.360 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.407 -8.708 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.707 -9.573 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.497 -8.122 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.321 -8.001 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.370 -9.868 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -15.926 -8.307 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.184 -8.633 2.910 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.441 -6.651 6.660 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.021 -6.264 8.001 1.00 0.00 C ATOM 1375 C ALA A 90 -13.093 -4.751 8.184 1.00 0.00 C ATOM 1376 O ALA A 90 -13.317 -4.261 9.290 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.612 -6.765 8.279 1.00 0.00 C ATOM 0 H ALA A 90 -12.785 -7.260 6.172 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.705 -6.723 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.312 -6.468 9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.590 -7.852 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.923 -6.334 7.553 1.00 0.00 H new ATOM 1383 N GLU A 91 -12.900 -4.018 7.092 1.00 0.00 N ATOM 1384 CA GLU A 91 -12.942 -2.561 7.133 1.00 0.00 C ATOM 1385 C GLU A 91 -14.375 -2.062 7.287 1.00 0.00 C ATOM 1386 O GLU A 91 -14.629 -1.078 7.982 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.319 -1.975 5.865 1.00 0.00 C ATOM 1388 CG GLU A 91 -11.954 -0.505 5.989 1.00 0.00 C ATOM 1389 CD GLU A 91 -11.657 0.138 4.649 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -11.127 -0.560 3.759 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -11.956 1.340 4.489 1.00 0.00 O ATOM 0 H GLU A 91 -12.713 -4.409 6.169 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.366 -2.231 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.423 -2.543 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.017 -2.099 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.773 0.029 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.083 -0.404 6.637 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.308 -2.747 6.633 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.715 -2.372 6.696 1.00 0.00 C ATOM 1400 C GLN A 92 -17.311 -2.718 8.057 1.00 0.00 C ATOM 1401 O GLN A 92 -17.944 -1.881 8.700 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.502 -3.075 5.588 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.039 -2.709 4.187 1.00 0.00 C ATOM 1404 CD GLN A 92 -17.657 -1.419 3.687 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -18.322 -0.704 4.437 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -17.440 -1.113 2.413 1.00 0.00 N ATOM 0 H GLN A 92 -15.115 -3.564 6.054 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.784 -1.294 6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.415 -4.153 5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -18.558 -2.825 5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -15.953 -2.614 4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.292 -3.518 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.883 -1.735 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.831 -0.256 2.021 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.103 -3.957 8.490 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.621 -4.415 9.774 1.00 0.00 C ATOM 1417 C PHE A 93 -16.497 -4.546 10.798 1.00 0.00 C ATOM 1418 O PHE A 93 -16.453 -3.813 11.785 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.336 -5.757 9.611 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.289 -5.791 8.450 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.825 -6.010 7.163 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.648 -5.605 8.646 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.699 -6.042 6.092 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.526 -5.637 7.580 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.051 -5.855 6.301 1.00 0.00 C ATOM 0 H PHE A 93 -16.579 -4.662 7.971 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.334 -3.674 10.135 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.592 -6.543 9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.883 -5.982 10.527 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.768 -6.157 6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -21.025 -5.433 9.643 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.325 -6.213 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.583 -5.492 7.746 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.736 -5.879 5.466 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.589 -5.486 10.554 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.477 -5.698 11.463 1.00 0.00 C ATOM 1437 C GLY A 94 -13.715 -6.972 11.160 1.00 0.00 C ATOM 1438 O GLY A 94 -14.294 -7.952 10.692 1.00 0.00 O ATOM 0 H GLY A 94 -15.603 -6.105 9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.796 -4.849 11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.851 -5.736 12.486 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.412 -6.959 11.425 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.570 -8.122 11.175 1.00 0.00 C ATOM 1444 C GLU A 95 -12.022 -9.312 12.017 1.00 0.00 C ATOM 1445 O GLU A 95 -11.544 -10.431 11.835 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.107 -7.795 11.479 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.923 -6.893 12.687 1.00 0.00 C ATOM 1448 CD GLU A 95 -9.940 -5.421 12.324 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -9.141 -5.016 11.454 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -10.752 -4.674 12.909 1.00 0.00 O ATOM 0 H GLU A 95 -11.917 -6.156 11.813 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.664 -8.387 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.563 -8.725 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.662 -7.316 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.714 -7.094 13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.978 -7.132 13.174 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.946 -9.061 12.939 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.462 -10.111 13.809 1.00 0.00 C ATOM 1459 C GLU A 96 -14.815 -10.613 13.314 1.00 0.00 C ATOM 1460 O GLU A 96 -15.366 -11.574 13.848 1.00 0.00 O ATOM 1461 CB GLU A 96 -13.591 -9.596 15.244 1.00 0.00 C ATOM 1462 CG GLU A 96 -14.542 -8.420 15.386 1.00 0.00 C ATOM 1463 CD GLU A 96 -13.851 -7.084 15.192 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -12.608 -7.038 15.308 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -14.552 -6.086 14.925 1.00 0.00 O ATOM 0 H GLU A 96 -13.352 -8.140 13.103 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.757 -10.942 13.790 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.935 -10.409 15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.606 -9.301 15.605 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.346 -8.518 14.657 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.002 -8.447 16.374 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.345 -9.955 12.288 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.633 -10.333 11.720 1.00 0.00 C ATOM 1474 C ASN A 97 -16.451 -11.049 10.386 1.00 0.00 C ATOM 1475 O ASN A 97 -17.411 -11.552 9.802 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.514 -9.096 11.532 1.00 0.00 C ATOM 1477 CG ASN A 97 -18.991 -9.438 11.490 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -19.565 -9.632 10.419 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -19.613 -9.513 12.661 1.00 0.00 N ATOM 0 H ASN A 97 -14.902 -9.157 11.833 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.121 -11.016 12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.329 -8.395 12.346 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.234 -8.591 10.607 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -20.607 -9.739 12.697 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.097 -9.344 13.524 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.211 -11.093 9.908 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.901 -11.749 8.643 1.00 0.00 C ATOM 1488 C VAL A 98 -15.016 -13.264 8.768 1.00 0.00 C ATOM 1489 O VAL A 98 -15.556 -13.930 7.886 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.484 -11.390 8.158 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.106 -12.231 6.948 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.391 -9.906 7.836 1.00 0.00 C ATOM 0 H VAL A 98 -14.405 -10.682 10.378 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.628 -11.392 7.913 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.778 -11.609 8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.102 -11.964 6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.131 -13.287 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.814 -12.045 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.383 -9.670 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.107 -9.658 7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.617 -9.325 8.730 1.00 0.00 H new ATOM 1502 N ASN A 99 -14.505 -13.802 9.870 1.00 0.00 N ATOM 1503 CA ASN A 99 -14.550 -15.240 10.111 1.00 0.00 C ATOM 1504 C ASN A 99 -15.987 -15.751 10.083 1.00 0.00 C ATOM 1505 O ASN A 99 -16.345 -16.587 9.252 1.00 0.00 O ATOM 1506 CB ASN A 99 -13.904 -15.573 11.457 1.00 0.00 C ATOM 1507 CG ASN A 99 -14.094 -14.468 12.479 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -13.461 -13.415 12.395 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -14.968 -14.704 13.450 1.00 0.00 N ATOM 0 H ASN A 99 -14.055 -13.264 10.611 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.992 -15.734 9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.331 -16.498 11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.838 -15.750 11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.138 -13.998 14.166 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.470 -15.591 13.480 1.00 0.00 H new ATOM 1516 N THR A 100 -16.808 -15.243 10.996 1.00 0.00 N ATOM 1517 CA THR A 100 -18.206 -15.647 11.077 1.00 0.00 C ATOM 1518 C THR A 100 -18.898 -15.510 9.726 1.00 0.00 C ATOM 1519 O THR A 100 -19.935 -16.127 9.483 1.00 0.00 O ATOM 1520 CB THR A 100 -18.973 -14.813 12.120 1.00 0.00 C ATOM 1521 OG1 THR A 100 -20.289 -15.347 12.303 1.00 0.00 O ATOM 1522 CG2 THR A 100 -19.066 -13.358 11.687 1.00 0.00 C ATOM 0 H THR A 100 -16.529 -14.550 11.691 1.00 0.00 H new ATOM 0 HA THR A 100 -18.214 -16.693 11.382 1.00 0.00 H new ATOM 0 HB THR A 100 -18.428 -14.861 13.063 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.769 -14.812 12.969 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.612 -12.789 12.439 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.063 -12.946 11.578 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.590 -13.295 10.733 1.00 0.00 H new ATOM 1530 N TYR A 101 -18.317 -14.699 8.849 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.878 -14.479 7.522 1.00 0.00 C ATOM 1532 C TYR A 101 -18.372 -15.528 6.536 1.00 0.00 C ATOM 1533 O TYR A 101 -19.088 -15.932 5.619 1.00 0.00 O ATOM 1534 CB TYR A 101 -18.524 -13.078 7.020 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.942 -12.824 5.589 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -18.287 -13.445 4.533 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -19.990 -11.961 5.294 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -18.665 -13.215 3.224 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -20.376 -11.727 3.988 1.00 0.00 C ATOM 1540 CZ TYR A 101 -19.710 -12.356 2.957 1.00 0.00 C ATOM 1541 OH TYR A 101 -20.090 -12.123 1.655 1.00 0.00 O ATOM 0 H TYR A 101 -17.457 -14.183 9.034 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.962 -14.568 7.595 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -18.999 -12.339 7.665 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.447 -12.931 7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.469 -14.119 4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -20.512 -11.465 6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -18.145 -13.705 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -21.195 -11.055 3.776 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.842 -11.495 1.641 1.00 0.00 H new ATOM 1551 N PHE A 102 -17.133 -15.966 6.732 1.00 0.00 N ATOM 1552 CA PHE A 102 -16.529 -16.967 5.861 1.00 0.00 C ATOM 1553 C PHE A 102 -17.067 -18.359 6.179 1.00 0.00 C ATOM 1554 O PHE A 102 -17.340 -19.152 5.277 1.00 0.00 O ATOM 1555 CB PHE A 102 -15.006 -16.950 6.009 1.00 0.00 C ATOM 1556 CG PHE A 102 -14.324 -15.997 5.070 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.722 -14.672 4.996 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -13.283 -16.426 4.261 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.096 -13.792 4.134 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.653 -15.550 3.398 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.061 -14.232 3.333 1.00 0.00 C ATOM 0 H PHE A 102 -16.527 -15.643 7.487 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.790 -16.722 4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.751 -16.682 7.034 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.621 -17.955 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.532 -14.323 5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.961 -17.456 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.416 -12.762 4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.842 -15.896 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.571 -13.547 2.657 1.00 0.00 H new ATOM 1571 N VAL A 103 -17.216 -18.650 7.467 1.00 0.00 N ATOM 1572 CA VAL A 103 -17.721 -19.946 7.905 1.00 0.00 C ATOM 1573 C VAL A 103 -18.712 -20.518 6.898 1.00 0.00 C ATOM 1574 O VAL A 103 -18.463 -21.560 6.291 1.00 0.00 O ATOM 1575 CB VAL A 103 -18.406 -19.845 9.282 1.00 0.00 C ATOM 1576 CG1 VAL A 103 -18.258 -21.150 10.049 1.00 0.00 C ATOM 1577 CG2 VAL A 103 -17.833 -18.682 10.077 1.00 0.00 C ATOM 0 H VAL A 103 -16.994 -18.006 8.226 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.861 -20.611 7.983 1.00 0.00 H new ATOM 0 HB VAL A 103 -19.469 -19.661 9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -18.748 -21.060 11.019 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -18.720 -21.959 9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -17.200 -21.368 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.328 -18.625 11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.764 -18.833 10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.996 -17.753 9.531 1.00 0.00 H new ATOM 1587 N SER A 104 -19.836 -19.830 6.725 1.00 0.00 N ATOM 1588 CA SER A 104 -20.866 -20.272 5.793 1.00 0.00 C ATOM 1589 C SER A 104 -20.397 -20.117 4.350 1.00 0.00 C ATOM 1590 O SER A 104 -20.018 -19.028 3.922 1.00 0.00 O ATOM 1591 CB SER A 104 -22.155 -19.477 6.010 1.00 0.00 C ATOM 1592 OG SER A 104 -23.255 -20.104 5.373 1.00 0.00 O ATOM 0 H SER A 104 -20.056 -18.965 7.218 1.00 0.00 H new ATOM 0 HA SER A 104 -21.062 -21.328 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 104 -22.354 -19.385 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.033 -18.467 5.620 1.00 0.00 H new ATOM 0 HG SER A 104 -24.067 -19.577 5.528 1.00 0.00 H new ATOM 1598 N GLY A 105 -20.424 -21.218 3.604 1.00 0.00 N ATOM 1599 CA GLY A 105 -19.998 -21.184 2.217 1.00 0.00 C ATOM 1600 C GLY A 105 -18.702 -21.935 1.989 1.00 0.00 C ATOM 1601 O GLY A 105 -18.317 -22.804 2.772 1.00 0.00 O ATOM 0 H GLY A 105 -20.733 -22.132 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -20.779 -21.615 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -19.873 -20.147 1.904 1.00 0.00 H new ATOM 1605 N PRO A 106 -18.004 -21.602 0.893 1.00 0.00 N ATOM 1606 CA PRO A 106 -16.733 -22.240 0.539 1.00 0.00 C ATOM 1607 C PRO A 106 -15.606 -21.857 1.493 1.00 0.00 C ATOM 1608 O PRO A 106 -15.839 -21.220 2.520 1.00 0.00 O ATOM 1609 CB PRO A 106 -16.448 -21.708 -0.867 1.00 0.00 C ATOM 1610 CG PRO A 106 -17.173 -20.408 -0.934 1.00 0.00 C ATOM 1611 CD PRO A 106 -18.402 -20.575 -0.084 1.00 0.00 C ATOM 0 HA PRO A 106 -16.794 -23.327 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -15.379 -21.574 -1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.803 -22.399 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.550 -19.594 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -17.440 -20.163 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -18.682 -19.642 0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -19.260 -20.894 -0.676 1.00 0.00 H new ATOM 1619 N SER A 107 -14.384 -22.248 1.145 1.00 0.00 N ATOM 1620 CA SER A 107 -13.221 -21.948 1.973 1.00 0.00 C ATOM 1621 C SER A 107 -13.486 -22.305 3.432 1.00 0.00 C ATOM 1622 O SER A 107 -13.197 -21.522 4.337 1.00 0.00 O ATOM 1623 CB SER A 107 -12.855 -20.467 1.856 1.00 0.00 C ATOM 1624 OG SER A 107 -12.067 -20.226 0.704 1.00 0.00 O ATOM 0 H SER A 107 -14.174 -22.773 0.296 1.00 0.00 H new ATOM 0 HA SER A 107 -12.386 -22.551 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 107 -13.764 -19.867 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.310 -20.153 2.746 1.00 0.00 H new ATOM 0 HG SER A 107 -11.848 -19.272 0.651 1.00 0.00 H new ATOM 1630 N SER A 108 -14.038 -23.494 3.653 1.00 0.00 N ATOM 1631 CA SER A 108 -14.345 -23.956 5.002 1.00 0.00 C ATOM 1632 C SER A 108 -13.152 -24.683 5.613 1.00 0.00 C ATOM 1633 O SER A 108 -13.034 -25.903 5.509 1.00 0.00 O ATOM 1634 CB SER A 108 -15.564 -24.880 4.982 1.00 0.00 C ATOM 1635 OG SER A 108 -16.756 -24.148 4.751 1.00 0.00 O ATOM 0 H SER A 108 -14.282 -24.155 2.915 1.00 0.00 H new ATOM 0 HA SER A 108 -14.569 -23.083 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.440 -25.634 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.638 -25.411 5.931 1.00 0.00 H new ATOM 0 HG SER A 108 -16.809 -23.899 3.805 1.00 0.00 H new ATOM 1641 N GLY A 109 -12.267 -23.922 6.252 1.00 0.00 N ATOM 1642 CA GLY A 109 -11.093 -24.510 6.871 1.00 0.00 C ATOM 1643 C GLY A 109 -9.969 -24.740 5.880 1.00 0.00 C ATOM 1644 O GLY A 109 -9.302 -25.774 5.918 1.00 0.00 O ATOM 0 H GLY A 109 -12.342 -22.910 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.741 -23.857 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.366 -25.459 7.333 1.00 0.00 H new TER 1648 GLY A 109