USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 11:sc= 0.469 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0603) USER MOD Single : A 32 HIS : no HD1:sc= -6.02! C(o=-6!,f=-5.7!) USER MOD Single : A 33 GLN : amide:sc= -5.64! C(o=-5.6!,f=-9.7!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.367 X(o=0.37,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -1.33 (180deg=-3.57!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -7.19! C(o=-7.2!,f=-5.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 79 ASN : amide:sc= -0.312 K(o=-0.31,f=-0.82) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.375 K(o=-0.37,f=-5.3!) USER MOD Single : A 94 GLN : amide:sc=-0.00377 K(o=-0.0038,f=-1.7) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -140:sc= -1.96! USER MOD Single : A 104 THR OG1 : rot -45:sc= 1.18 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -58:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.799 2.702 -36.217 1.00 0.00 N ATOM 2 CA GLY A 1 18.928 3.772 -35.768 1.00 0.00 C ATOM 3 C GLY A 1 18.891 3.894 -34.258 1.00 0.00 C ATOM 4 O GLY A 1 18.708 2.903 -33.552 1.00 0.00 O ATOM 0 H1 GLY A 1 19.790 2.660 -37.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.769 2.882 -35.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.464 1.796 -35.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.265 4.715 -36.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.919 3.595 -36.140 1.00 0.00 H new ATOM 8 N SER A 2 19.068 5.114 -33.760 1.00 0.00 N ATOM 9 CA SER A 2 19.060 5.362 -32.323 1.00 0.00 C ATOM 10 C SER A 2 17.842 6.187 -31.921 1.00 0.00 C ATOM 11 O SER A 2 17.328 6.981 -32.709 1.00 0.00 O ATOM 12 CB SER A 2 20.342 6.084 -31.901 1.00 0.00 C ATOM 13 OG SER A 2 21.467 5.231 -32.011 1.00 0.00 O ATOM 0 H SER A 2 19.219 5.946 -34.331 1.00 0.00 H new ATOM 0 HA SER A 2 19.009 4.400 -31.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.488 6.966 -32.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.245 6.433 -30.873 1.00 0.00 H new ATOM 0 HG SER A 2 22.273 5.716 -31.737 1.00 0.00 H new ATOM 19 N SER A 3 17.385 5.994 -30.688 1.00 0.00 N ATOM 20 CA SER A 3 16.224 6.717 -30.180 1.00 0.00 C ATOM 21 C SER A 3 16.646 7.779 -29.169 1.00 0.00 C ATOM 22 O SER A 3 17.197 7.465 -28.115 1.00 0.00 O ATOM 23 CB SER A 3 15.234 5.746 -29.535 1.00 0.00 C ATOM 24 OG SER A 3 14.456 5.083 -30.516 1.00 0.00 O ATOM 0 H SER A 3 17.801 5.343 -30.022 1.00 0.00 H new ATOM 0 HA SER A 3 15.739 7.213 -31.021 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.776 5.012 -28.939 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.579 6.289 -28.853 1.00 0.00 H new ATOM 0 HG SER A 3 13.833 4.467 -30.078 1.00 0.00 H new ATOM 30 N GLY A 4 16.381 9.040 -29.499 1.00 0.00 N ATOM 31 CA GLY A 4 16.739 10.130 -28.611 1.00 0.00 C ATOM 32 C GLY A 4 15.525 10.859 -28.069 1.00 0.00 C ATOM 33 O GLY A 4 14.999 11.766 -28.713 1.00 0.00 O ATOM 0 H GLY A 4 15.925 9.325 -30.365 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.326 9.739 -27.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.374 10.836 -29.145 1.00 0.00 H new ATOM 37 N SER A 5 15.078 10.460 -26.883 1.00 0.00 N ATOM 38 CA SER A 5 13.915 11.078 -26.257 1.00 0.00 C ATOM 39 C SER A 5 14.327 11.908 -25.045 1.00 0.00 C ATOM 40 O SER A 5 15.308 11.598 -24.370 1.00 0.00 O ATOM 41 CB SER A 5 12.906 10.007 -25.836 1.00 0.00 C ATOM 42 OG SER A 5 11.674 10.590 -25.451 1.00 0.00 O ATOM 0 H SER A 5 15.503 9.711 -26.336 1.00 0.00 H new ATOM 0 HA SER A 5 13.449 11.739 -26.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.742 9.314 -26.661 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.312 9.426 -25.008 1.00 0.00 H new ATOM 0 HG SER A 5 11.046 9.885 -25.188 1.00 0.00 H new ATOM 48 N SER A 6 13.569 12.967 -24.776 1.00 0.00 N ATOM 49 CA SER A 6 13.856 13.846 -23.649 1.00 0.00 C ATOM 50 C SER A 6 12.583 14.519 -23.147 1.00 0.00 C ATOM 51 O SER A 6 11.676 14.815 -23.923 1.00 0.00 O ATOM 52 CB SER A 6 14.883 14.907 -24.051 1.00 0.00 C ATOM 53 OG SER A 6 16.187 14.356 -24.116 1.00 0.00 O ATOM 0 H SER A 6 12.752 13.237 -25.323 1.00 0.00 H new ATOM 0 HA SER A 6 14.268 13.239 -22.842 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.614 15.329 -25.019 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.866 15.725 -23.331 1.00 0.00 H new ATOM 0 HG SER A 6 16.132 13.379 -24.062 1.00 0.00 H new ATOM 59 N GLY A 7 12.523 14.759 -21.840 1.00 0.00 N ATOM 60 CA GLY A 7 11.358 15.396 -21.255 1.00 0.00 C ATOM 61 C GLY A 7 10.784 14.603 -20.098 1.00 0.00 C ATOM 62 O GLY A 7 10.983 14.955 -18.936 1.00 0.00 O ATOM 0 H GLY A 7 13.261 14.523 -21.176 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.628 16.394 -20.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.593 15.521 -22.021 1.00 0.00 H new ATOM 66 N MET A 8 10.068 13.529 -20.416 1.00 0.00 N ATOM 67 CA MET A 8 9.462 12.684 -19.393 1.00 0.00 C ATOM 68 C MET A 8 10.508 12.220 -18.383 1.00 0.00 C ATOM 69 O MET A 8 11.708 12.389 -18.596 1.00 0.00 O ATOM 70 CB MET A 8 8.784 11.473 -20.036 1.00 0.00 C ATOM 71 CG MET A 8 9.752 10.541 -20.746 1.00 0.00 C ATOM 72 SD MET A 8 9.097 8.872 -20.936 1.00 0.00 S ATOM 73 CE MET A 8 10.535 8.012 -21.568 1.00 0.00 C ATOM 0 H MET A 8 9.893 13.223 -21.373 1.00 0.00 H new ATOM 0 HA MET A 8 8.711 13.274 -18.868 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.252 10.914 -19.266 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.038 11.821 -20.750 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.988 10.949 -21.729 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.686 10.499 -20.186 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.287 6.964 -21.737 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.847 8.467 -22.508 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.347 8.081 -20.844 1.00 0.00 H new ATOM 83 N ALA A 9 10.043 11.634 -17.284 1.00 0.00 N ATOM 84 CA ALA A 9 10.938 11.144 -16.244 1.00 0.00 C ATOM 85 C ALA A 9 11.277 9.673 -16.459 1.00 0.00 C ATOM 86 O ALA A 9 10.741 9.028 -17.360 1.00 0.00 O ATOM 87 CB ALA A 9 10.313 11.347 -14.871 1.00 0.00 C ATOM 0 H ALA A 9 9.052 11.487 -17.092 1.00 0.00 H new ATOM 0 HA ALA A 9 11.865 11.716 -16.298 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.993 10.976 -14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.127 12.409 -14.709 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.371 10.801 -14.816 1.00 0.00 H new ATOM 93 N ALA A 10 12.172 9.149 -15.628 1.00 0.00 N ATOM 94 CA ALA A 10 12.582 7.753 -15.728 1.00 0.00 C ATOM 95 C ALA A 10 11.813 6.883 -14.739 1.00 0.00 C ATOM 96 O ALA A 10 11.371 7.342 -13.685 1.00 0.00 O ATOM 97 CB ALA A 10 14.080 7.625 -15.493 1.00 0.00 C ATOM 0 H ALA A 10 12.627 9.670 -14.878 1.00 0.00 H new ATOM 0 HA ALA A 10 12.352 7.403 -16.734 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.372 6.578 -15.571 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.617 8.208 -16.241 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.325 7.997 -14.498 1.00 0.00 H new ATOM 103 N PRO A 11 11.648 5.598 -15.084 1.00 0.00 N ATOM 104 CA PRO A 11 10.932 4.637 -14.240 1.00 0.00 C ATOM 105 C PRO A 11 11.700 4.298 -12.967 1.00 0.00 C ATOM 106 O PRO A 11 12.840 3.835 -13.023 1.00 0.00 O ATOM 107 CB PRO A 11 10.808 3.401 -15.135 1.00 0.00 C ATOM 108 CG PRO A 11 11.945 3.512 -16.092 1.00 0.00 C ATOM 109 CD PRO A 11 12.148 4.983 -16.325 1.00 0.00 C ATOM 0 HA PRO A 11 9.975 5.030 -13.898 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.869 2.482 -14.552 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.851 3.384 -15.657 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.845 3.054 -15.683 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.721 2.996 -17.026 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.198 5.221 -16.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.595 5.332 -17.197 1.00 0.00 H new ATOM 117 N LEU A 12 11.070 4.532 -11.822 1.00 0.00 N ATOM 118 CA LEU A 12 11.694 4.251 -10.534 1.00 0.00 C ATOM 119 C LEU A 12 11.364 2.837 -10.066 1.00 0.00 C ATOM 120 O LEU A 12 10.355 2.258 -10.470 1.00 0.00 O ATOM 121 CB LEU A 12 11.232 5.267 -9.488 1.00 0.00 C ATOM 122 CG LEU A 12 9.905 4.959 -8.793 1.00 0.00 C ATOM 123 CD1 LEU A 12 10.131 4.069 -7.581 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.205 6.248 -8.388 1.00 0.00 C ATOM 0 H LEU A 12 10.127 4.916 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 12 12.774 4.331 -10.657 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.007 5.352 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.150 6.242 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 12 9.264 4.425 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.176 3.861 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.590 3.132 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.790 4.575 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.262 6.011 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.842 6.808 -7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.009 6.850 -9.275 1.00 0.00 H new ATOM 136 N CYS A 13 12.220 2.288 -9.210 1.00 0.00 N ATOM 137 CA CYS A 13 12.019 0.942 -8.686 1.00 0.00 C ATOM 138 C CYS A 13 11.969 0.954 -7.161 1.00 0.00 C ATOM 139 O CYS A 13 12.885 1.446 -6.503 1.00 0.00 O ATOM 140 CB CYS A 13 13.136 0.013 -9.164 1.00 0.00 C ATOM 141 SG CYS A 13 13.266 -0.120 -10.962 1.00 0.00 S ATOM 0 H CYS A 13 13.059 2.754 -8.865 1.00 0.00 H new ATOM 0 HA CYS A 13 11.064 0.572 -9.060 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.086 0.371 -8.767 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.971 -0.981 -8.748 1.00 0.00 H new ATOM 0 HG CYS A 13 14.240 -0.925 -11.268 1.00 0.00 H new ATOM 147 N VAL A 14 10.890 0.411 -6.605 1.00 0.00 N ATOM 148 CA VAL A 14 10.720 0.360 -5.158 1.00 0.00 C ATOM 149 C VAL A 14 10.469 -1.067 -4.684 1.00 0.00 C ATOM 150 O VAL A 14 9.803 -1.851 -5.361 1.00 0.00 O ATOM 151 CB VAL A 14 9.553 1.254 -4.699 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.853 2.716 -4.991 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.256 0.823 -5.368 1.00 0.00 C ATOM 0 H VAL A 14 10.121 0.001 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 14 11.646 0.728 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 14 9.434 1.141 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.017 3.332 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.757 3.015 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.000 2.850 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.442 1.466 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.360 0.905 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.035 -0.211 -5.102 1.00 0.00 H new ATOM 163 N LYS A 15 11.007 -1.400 -3.516 1.00 0.00 N ATOM 164 CA LYS A 15 10.842 -2.732 -2.948 1.00 0.00 C ATOM 165 C LYS A 15 9.676 -2.764 -1.965 1.00 0.00 C ATOM 166 O LYS A 15 9.682 -2.056 -0.957 1.00 0.00 O ATOM 167 CB LYS A 15 12.128 -3.174 -2.246 1.00 0.00 C ATOM 168 CG LYS A 15 13.193 -3.691 -3.197 1.00 0.00 C ATOM 169 CD LYS A 15 14.548 -3.788 -2.516 1.00 0.00 C ATOM 170 CE LYS A 15 15.229 -2.431 -2.433 1.00 0.00 C ATOM 171 NZ LYS A 15 15.956 -2.097 -3.689 1.00 0.00 N ATOM 0 H LYS A 15 11.562 -0.764 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 15 10.626 -3.422 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.533 -2.333 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.888 -3.954 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.902 -4.672 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.265 -3.028 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.424 -4.196 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.184 -4.482 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.483 -1.662 -2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.928 -2.426 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.406 -1.165 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.685 -2.816 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.285 -2.076 -4.483 1.00 0.00 H new ATOM 185 N VAL A 16 8.678 -3.590 -2.263 1.00 0.00 N ATOM 186 CA VAL A 16 7.507 -3.716 -1.403 1.00 0.00 C ATOM 187 C VAL A 16 7.625 -4.930 -0.489 1.00 0.00 C ATOM 188 O VAL A 16 7.952 -6.027 -0.938 1.00 0.00 O ATOM 189 CB VAL A 16 6.214 -3.833 -2.231 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.017 -4.063 -1.321 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.014 -2.591 -3.086 1.00 0.00 C ATOM 0 H VAL A 16 8.657 -4.182 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 16 7.460 -2.812 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 16 6.305 -4.692 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.112 -4.143 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.160 -4.985 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.920 -3.226 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.095 -2.691 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.944 -1.714 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.859 -2.476 -3.765 1.00 0.00 H new ATOM 201 N GLU A 17 7.355 -4.724 0.797 1.00 0.00 N ATOM 202 CA GLU A 17 7.430 -5.802 1.775 1.00 0.00 C ATOM 203 C GLU A 17 6.152 -5.875 2.605 1.00 0.00 C ATOM 204 O GLU A 17 5.693 -4.869 3.147 1.00 0.00 O ATOM 205 CB GLU A 17 8.638 -5.604 2.693 1.00 0.00 C ATOM 206 CG GLU A 17 9.102 -6.881 3.373 1.00 0.00 C ATOM 207 CD GLU A 17 9.807 -6.618 4.690 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.809 -5.873 4.688 1.00 0.00 O ATOM 209 OE2 GLU A 17 9.356 -7.158 5.722 1.00 0.00 O ATOM 0 H GLU A 17 7.083 -3.821 1.185 1.00 0.00 H new ATOM 0 HA GLU A 17 7.544 -6.741 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.462 -5.192 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.387 -4.867 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.242 -7.528 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.775 -7.419 2.706 1.00 0.00 H new ATOM 216 N PHE A 18 5.582 -7.071 2.700 1.00 0.00 N ATOM 217 CA PHE A 18 4.356 -7.276 3.462 1.00 0.00 C ATOM 218 C PHE A 18 4.594 -8.228 4.630 1.00 0.00 C ATOM 219 O PHE A 18 5.328 -9.208 4.507 1.00 0.00 O ATOM 220 CB PHE A 18 3.253 -7.828 2.557 1.00 0.00 C ATOM 221 CG PHE A 18 2.853 -6.886 1.457 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.926 -5.883 1.689 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.405 -7.003 0.192 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.555 -5.016 0.679 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.039 -6.139 -0.823 1.00 0.00 C ATOM 226 CZ PHE A 18 2.114 -5.143 -0.578 1.00 0.00 C ATOM 0 H PHE A 18 5.950 -7.914 2.258 1.00 0.00 H new ATOM 0 HA PHE A 18 4.041 -6.312 3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.591 -8.766 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.377 -8.058 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.488 -5.777 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.130 -7.779 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.829 -4.240 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.475 -6.243 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.828 -4.464 -1.368 1.00 0.00 H new ATOM 236 N GLY A 19 3.969 -7.931 5.766 1.00 0.00 N ATOM 237 CA GLY A 19 4.126 -8.769 6.940 1.00 0.00 C ATOM 238 C GLY A 19 2.833 -9.450 7.344 1.00 0.00 C ATOM 239 O GLY A 19 1.746 -8.927 7.101 1.00 0.00 O ATOM 0 H GLY A 19 3.357 -7.125 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.885 -9.526 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.488 -8.162 7.770 1.00 0.00 H new ATOM 243 N GLY A 20 2.950 -10.621 7.961 1.00 0.00 N ATOM 244 CA GLY A 20 1.774 -11.356 8.388 1.00 0.00 C ATOM 245 C GLY A 20 1.281 -12.325 7.332 1.00 0.00 C ATOM 246 O GLY A 20 1.921 -13.340 7.063 1.00 0.00 O ATOM 0 H GLY A 20 3.839 -11.074 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.004 -11.905 9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.978 -10.652 8.631 1.00 0.00 H new ATOM 250 N GLY A 21 0.136 -12.012 6.732 1.00 0.00 N ATOM 251 CA GLY A 21 -0.425 -12.874 5.708 1.00 0.00 C ATOM 252 C GLY A 21 -0.765 -12.119 4.438 1.00 0.00 C ATOM 253 O GLY A 21 -1.042 -12.725 3.403 1.00 0.00 O ATOM 0 H GLY A 21 -0.413 -11.177 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.285 -13.668 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.324 -13.354 6.094 1.00 0.00 H new ATOM 257 N ALA A 22 -0.745 -10.793 4.516 1.00 0.00 N ATOM 258 CA ALA A 22 -1.053 -9.955 3.364 1.00 0.00 C ATOM 259 C ALA A 22 -0.188 -10.329 2.165 1.00 0.00 C ATOM 260 O ALA A 22 -0.517 -10.003 1.026 1.00 0.00 O ATOM 261 CB ALA A 22 -0.865 -8.486 3.714 1.00 0.00 C ATOM 0 H ALA A 22 -0.519 -10.276 5.365 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.095 -10.123 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.099 -7.872 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.530 -8.220 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.169 -8.313 4.013 1.00 0.00 H new ATOM 267 N GLU A 23 0.919 -11.016 2.432 1.00 0.00 N ATOM 268 CA GLU A 23 1.831 -11.433 1.374 1.00 0.00 C ATOM 269 C GLU A 23 1.149 -12.412 0.421 1.00 0.00 C ATOM 270 O GLU A 23 1.570 -12.577 -0.724 1.00 0.00 O ATOM 271 CB GLU A 23 3.083 -12.077 1.973 1.00 0.00 C ATOM 272 CG GLU A 23 2.814 -13.404 2.663 1.00 0.00 C ATOM 273 CD GLU A 23 3.798 -13.691 3.780 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.037 -12.787 4.608 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.330 -14.820 3.826 1.00 0.00 O ATOM 0 H GLU A 23 1.205 -11.295 3.371 1.00 0.00 H new ATOM 0 HA GLU A 23 2.121 -10.546 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.816 -12.231 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.528 -11.388 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.802 -13.400 3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.860 -14.207 1.928 1.00 0.00 H new ATOM 282 N LEU A 24 0.094 -13.059 0.904 1.00 0.00 N ATOM 283 CA LEU A 24 -0.648 -14.022 0.097 1.00 0.00 C ATOM 284 C LEU A 24 -1.392 -13.324 -1.037 1.00 0.00 C ATOM 285 O LEU A 24 -1.541 -13.875 -2.128 1.00 0.00 O ATOM 286 CB LEU A 24 -1.636 -14.795 0.971 1.00 0.00 C ATOM 287 CG LEU A 24 -1.024 -15.643 2.087 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.111 -16.195 2.995 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.191 -16.774 1.501 1.00 0.00 C ATOM 0 H LEU A 24 -0.267 -12.935 1.850 1.00 0.00 H new ATOM 0 HA LEU A 24 0.066 -14.721 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.327 -14.082 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.226 -15.448 0.328 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.370 -15.007 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.657 -16.796 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.666 -15.370 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.791 -16.816 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.237 -17.367 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.824 -17.409 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.612 -16.357 0.893 1.00 0.00 H new ATOM 301 N LEU A 25 -1.856 -12.107 -0.772 1.00 0.00 N ATOM 302 CA LEU A 25 -2.584 -11.332 -1.770 1.00 0.00 C ATOM 303 C LEU A 25 -1.663 -10.912 -2.911 1.00 0.00 C ATOM 304 O LEU A 25 -2.105 -10.315 -3.893 1.00 0.00 O ATOM 305 CB LEU A 25 -3.212 -10.095 -1.126 1.00 0.00 C ATOM 306 CG LEU A 25 -4.169 -10.357 0.037 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.140 -9.199 1.023 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.583 -10.587 -0.477 1.00 0.00 C ATOM 0 H LEU A 25 -1.741 -11.636 0.126 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.374 -11.963 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.410 -9.448 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.750 -9.543 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.842 -11.258 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.827 -9.403 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.130 -9.081 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.442 -8.282 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.250 -10.772 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.920 -9.705 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.592 -11.449 -1.144 1.00 0.00 H new ATOM 320 N PHE A 26 -0.380 -11.231 -2.777 1.00 0.00 N ATOM 321 CA PHE A 26 0.604 -10.888 -3.797 1.00 0.00 C ATOM 322 C PHE A 26 1.452 -12.103 -4.164 1.00 0.00 C ATOM 323 O PHE A 26 2.553 -12.285 -3.644 1.00 0.00 O ATOM 324 CB PHE A 26 1.505 -9.753 -3.306 1.00 0.00 C ATOM 325 CG PHE A 26 0.745 -8.552 -2.820 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.394 -7.537 -3.695 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.380 -8.439 -1.488 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.305 -6.431 -3.249 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.319 -7.336 -1.037 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.663 -6.331 -1.919 1.00 0.00 C ATOM 0 H PHE A 26 0.003 -11.727 -1.972 1.00 0.00 H new ATOM 0 HA PHE A 26 0.068 -10.558 -4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.137 -10.124 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.168 -9.450 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.669 -7.611 -4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.645 -9.223 -0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.571 -5.645 -3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.596 -7.260 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.211 -5.468 -1.569 1.00 0.00 H new ATOM 340 N ASP A 27 0.931 -12.931 -5.062 1.00 0.00 N ATOM 341 CA ASP A 27 1.639 -14.128 -5.501 1.00 0.00 C ATOM 342 C ASP A 27 2.332 -14.810 -4.325 1.00 0.00 C ATOM 343 O ASP A 27 3.317 -15.525 -4.502 1.00 0.00 O ATOM 344 CB ASP A 27 2.666 -13.774 -6.578 1.00 0.00 C ATOM 345 CG ASP A 27 2.040 -13.067 -7.764 1.00 0.00 C ATOM 346 OD1 ASP A 27 0.843 -13.302 -8.030 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.747 -12.278 -8.426 1.00 0.00 O ATOM 0 H ASP A 27 0.020 -12.795 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 27 0.908 -14.819 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.438 -13.137 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.158 -14.684 -6.920 1.00 0.00 H new ATOM 352 N GLY A 28 1.809 -14.583 -3.124 1.00 0.00 N ATOM 353 CA GLY A 28 2.391 -15.182 -1.936 1.00 0.00 C ATOM 354 C GLY A 28 3.899 -15.029 -1.889 1.00 0.00 C ATOM 355 O GLY A 28 4.634 -16.007 -2.027 1.00 0.00 O ATOM 0 H GLY A 28 0.993 -13.995 -2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.954 -14.722 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.135 -16.241 -1.904 1.00 0.00 H new ATOM 359 N VAL A 29 4.361 -13.798 -1.696 1.00 0.00 N ATOM 360 CA VAL A 29 5.791 -13.520 -1.632 1.00 0.00 C ATOM 361 C VAL A 29 6.098 -12.456 -0.584 1.00 0.00 C ATOM 362 O VAL A 29 5.292 -11.557 -0.341 1.00 0.00 O ATOM 363 CB VAL A 29 6.334 -13.054 -2.995 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.682 -12.369 -2.828 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.440 -14.228 -3.956 1.00 0.00 C ATOM 0 H VAL A 29 3.766 -12.977 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 29 6.282 -14.452 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 29 5.635 -12.331 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.050 -12.047 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.571 -11.502 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.392 -13.067 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.826 -13.880 -4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.116 -14.976 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.454 -14.670 -4.100 1.00 0.00 H new ATOM 375 N LYS A 30 7.269 -12.563 0.035 1.00 0.00 N ATOM 376 CA LYS A 30 7.685 -11.610 1.057 1.00 0.00 C ATOM 377 C LYS A 30 8.002 -10.252 0.437 1.00 0.00 C ATOM 378 O LYS A 30 7.266 -9.284 0.627 1.00 0.00 O ATOM 379 CB LYS A 30 8.908 -12.138 1.809 1.00 0.00 C ATOM 380 CG LYS A 30 8.638 -13.411 2.592 1.00 0.00 C ATOM 381 CD LYS A 30 9.868 -14.300 2.653 1.00 0.00 C ATOM 382 CE LYS A 30 10.148 -14.956 1.310 1.00 0.00 C ATOM 383 NZ LYS A 30 9.274 -16.139 1.077 1.00 0.00 N ATOM 0 H LYS A 30 7.947 -13.301 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 30 6.861 -11.486 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.711 -12.324 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.263 -11.368 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.321 -13.157 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.816 -13.957 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.731 -13.708 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.725 -15.069 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.996 -14.229 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.193 -15.263 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.496 -16.558 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.438 -16.844 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.277 -15.843 1.093 1.00 0.00 H new ATOM 397 N LYS A 31 9.102 -10.189 -0.306 1.00 0.00 N ATOM 398 CA LYS A 31 9.517 -8.952 -0.956 1.00 0.00 C ATOM 399 C LYS A 31 9.154 -8.968 -2.438 1.00 0.00 C ATOM 400 O LYS A 31 9.432 -9.938 -3.144 1.00 0.00 O ATOM 401 CB LYS A 31 11.024 -8.745 -0.791 1.00 0.00 C ATOM 402 CG LYS A 31 11.492 -8.808 0.652 1.00 0.00 C ATOM 403 CD LYS A 31 11.890 -10.220 1.048 1.00 0.00 C ATOM 404 CE LYS A 31 12.579 -10.245 2.404 1.00 0.00 C ATOM 405 NZ LYS A 31 13.036 -11.615 2.768 1.00 0.00 N ATOM 0 H LYS A 31 9.722 -10.981 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 31 8.989 -8.126 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.552 -9.504 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.297 -7.777 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.340 -8.138 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.697 -8.455 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.004 -10.854 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.556 -10.637 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.434 -9.569 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.893 -9.876 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.168 -11.675 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.322 -12.310 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.938 -11.818 2.291 1.00 0.00 H new ATOM 419 N HIS A 32 8.534 -7.889 -2.903 1.00 0.00 N ATOM 420 CA HIS A 32 8.136 -7.779 -4.302 1.00 0.00 C ATOM 421 C HIS A 32 8.780 -6.560 -4.956 1.00 0.00 C ATOM 422 O HIS A 32 8.705 -5.450 -4.429 1.00 0.00 O ATOM 423 CB HIS A 32 6.614 -7.688 -4.415 1.00 0.00 C ATOM 424 CG HIS A 32 5.887 -8.544 -3.424 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.286 -9.739 -3.759 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.669 -8.374 -2.099 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.728 -10.265 -2.684 1.00 0.00 C ATOM 428 NE2 HIS A 32 4.946 -9.457 -1.663 1.00 0.00 N ATOM 0 H HIS A 32 8.296 -7.078 -2.332 1.00 0.00 H new ATOM 0 HA HIS A 32 8.479 -8.673 -4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.309 -6.650 -4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.315 -7.979 -5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.002 -7.542 -1.497 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.185 -11.198 -2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.629 -9.612 -0.706 1.00 0.00 H new ATOM 437 N GLN A 33 9.412 -6.776 -6.105 1.00 0.00 N ATOM 438 CA GLN A 33 10.070 -5.695 -6.829 1.00 0.00 C ATOM 439 C GLN A 33 9.065 -4.906 -7.662 1.00 0.00 C ATOM 440 O GLN A 33 8.365 -5.468 -8.505 1.00 0.00 O ATOM 441 CB GLN A 33 11.171 -6.254 -7.732 1.00 0.00 C ATOM 442 CG GLN A 33 11.987 -5.180 -8.432 1.00 0.00 C ATOM 443 CD GLN A 33 11.185 -4.422 -9.472 1.00 0.00 C ATOM 444 OE1 GLN A 33 11.020 -3.205 -9.379 1.00 0.00 O ATOM 445 NE2 GLN A 33 10.681 -5.138 -10.470 1.00 0.00 N ATOM 0 H GLN A 33 9.482 -7.689 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 33 10.516 -5.021 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.839 -6.875 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.719 -6.903 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.369 -4.478 -7.691 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.852 -5.640 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.842 -6.144 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.132 -4.682 -11.199 1.00 0.00 H new ATOM 454 N VAL A 34 8.997 -3.601 -7.419 1.00 0.00 N ATOM 455 CA VAL A 34 8.078 -2.735 -8.146 1.00 0.00 C ATOM 456 C VAL A 34 8.835 -1.712 -8.987 1.00 0.00 C ATOM 457 O VAL A 34 9.869 -1.192 -8.568 1.00 0.00 O ATOM 458 CB VAL A 34 7.128 -1.993 -7.187 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.106 -1.182 -7.969 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.439 -2.976 -6.253 1.00 0.00 C ATOM 0 H VAL A 34 9.568 -3.121 -6.724 1.00 0.00 H new ATOM 0 HA VAL A 34 7.491 -3.377 -8.802 1.00 0.00 H new ATOM 0 HB VAL A 34 7.717 -1.304 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.444 -0.665 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.621 -0.451 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.520 -1.848 -8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.772 -2.434 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.862 -3.691 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.189 -3.508 -5.667 1.00 0.00 H new ATOM 470 N ALA A 35 8.312 -1.428 -10.175 1.00 0.00 N ATOM 471 CA ALA A 35 8.937 -0.466 -11.074 1.00 0.00 C ATOM 472 C ALA A 35 7.906 0.499 -11.649 1.00 0.00 C ATOM 473 O ALA A 35 7.266 0.209 -12.661 1.00 0.00 O ATOM 474 CB ALA A 35 9.669 -1.188 -12.195 1.00 0.00 C ATOM 0 H ALA A 35 7.457 -1.850 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 35 9.658 0.114 -10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.131 -0.457 -12.858 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.440 -1.831 -11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.961 -1.795 -12.760 1.00 0.00 H new ATOM 480 N LEU A 36 7.748 1.646 -10.998 1.00 0.00 N ATOM 481 CA LEU A 36 6.793 2.654 -11.444 1.00 0.00 C ATOM 482 C LEU A 36 7.315 3.394 -12.672 1.00 0.00 C ATOM 483 O LEU A 36 8.462 3.839 -12.717 1.00 0.00 O ATOM 484 CB LEU A 36 6.508 3.650 -10.318 1.00 0.00 C ATOM 485 CG LEU A 36 6.188 3.043 -8.951 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.376 4.077 -7.852 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.770 2.492 -8.931 1.00 0.00 C ATOM 0 H LEU A 36 8.269 1.901 -10.159 1.00 0.00 H new ATOM 0 HA LEU A 36 5.867 2.146 -11.715 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.374 4.303 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.670 4.279 -10.619 1.00 0.00 H new ATOM 0 HG LEU A 36 6.878 2.219 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.144 3.628 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.409 4.424 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.710 4.921 -8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.560 2.064 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.064 3.297 -9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.669 1.720 -9.693 1.00 0.00 H new ATOM 499 N PRO A 37 6.454 3.530 -13.692 1.00 0.00 N ATOM 500 CA PRO A 37 6.805 4.218 -14.938 1.00 0.00 C ATOM 501 C PRO A 37 6.967 5.722 -14.744 1.00 0.00 C ATOM 502 O PRO A 37 6.139 6.367 -14.102 1.00 0.00 O ATOM 503 CB PRO A 37 5.616 3.921 -15.854 1.00 0.00 C ATOM 504 CG PRO A 37 4.477 3.670 -14.927 1.00 0.00 C ATOM 505 CD PRO A 37 5.071 3.024 -13.706 1.00 0.00 C ATOM 0 HA PRO A 37 7.762 3.879 -15.336 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.408 4.760 -16.518 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.810 3.055 -16.486 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.971 4.601 -14.669 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.733 3.021 -15.389 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.532 3.303 -12.801 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.042 1.936 -13.772 1.00 0.00 H new ATOM 513 N GLY A 38 8.038 6.275 -15.305 1.00 0.00 N ATOM 514 CA GLY A 38 8.288 7.699 -15.182 1.00 0.00 C ATOM 515 C GLY A 38 7.142 8.536 -15.714 1.00 0.00 C ATOM 516 O GLY A 38 6.598 8.249 -16.780 1.00 0.00 O ATOM 0 H GLY A 38 8.737 5.762 -15.842 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.458 7.946 -14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.200 7.953 -15.722 1.00 0.00 H new ATOM 520 N GLN A 39 6.774 9.574 -14.969 1.00 0.00 N ATOM 521 CA GLN A 39 5.683 10.454 -15.372 1.00 0.00 C ATOM 522 C GLN A 39 6.066 11.918 -15.184 1.00 0.00 C ATOM 523 O GLN A 39 7.203 12.230 -14.832 1.00 0.00 O ATOM 524 CB GLN A 39 4.421 10.137 -14.566 1.00 0.00 C ATOM 525 CG GLN A 39 4.349 8.696 -14.090 1.00 0.00 C ATOM 526 CD GLN A 39 2.924 8.212 -13.909 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.382 7.508 -14.762 1.00 0.00 O ATOM 528 NE2 GLN A 39 2.307 8.587 -12.795 1.00 0.00 N ATOM 0 H GLN A 39 7.215 9.826 -14.084 1.00 0.00 H new ATOM 0 HA GLN A 39 5.483 10.283 -16.430 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.376 10.799 -13.701 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.545 10.353 -15.178 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.858 8.054 -14.809 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.883 8.602 -13.145 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.793 9.171 -12.114 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.347 8.291 -12.620 1.00 0.00 H new ATOM 537 N GLU A 40 5.110 12.810 -15.421 1.00 0.00 N ATOM 538 CA GLU A 40 5.350 14.241 -15.279 1.00 0.00 C ATOM 539 C GLU A 40 5.531 14.620 -13.812 1.00 0.00 C ATOM 540 O GLU A 40 5.843 15.766 -13.490 1.00 0.00 O ATOM 541 CB GLU A 40 4.191 15.038 -15.883 1.00 0.00 C ATOM 542 CG GLU A 40 4.354 15.318 -17.367 1.00 0.00 C ATOM 543 CD GLU A 40 5.402 16.378 -17.649 1.00 0.00 C ATOM 544 OE1 GLU A 40 5.116 17.572 -17.421 1.00 0.00 O ATOM 545 OE2 GLU A 40 6.509 16.012 -18.098 1.00 0.00 O ATOM 0 H GLU A 40 4.163 12.567 -15.712 1.00 0.00 H new ATOM 0 HA GLU A 40 6.267 14.484 -15.815 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.262 14.489 -15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.096 15.985 -15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.629 14.396 -17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.398 15.639 -17.780 1.00 0.00 H new ATOM 552 N GLU A 41 5.332 13.647 -12.927 1.00 0.00 N ATOM 553 CA GLU A 41 5.472 13.879 -11.494 1.00 0.00 C ATOM 554 C GLU A 41 5.944 12.614 -10.782 1.00 0.00 C ATOM 555 O GLU A 41 5.747 11.495 -11.256 1.00 0.00 O ATOM 556 CB GLU A 41 4.143 14.347 -10.899 1.00 0.00 C ATOM 557 CG GLU A 41 3.974 15.857 -10.899 1.00 0.00 C ATOM 558 CD GLU A 41 4.504 16.504 -9.634 1.00 0.00 C ATOM 559 OE1 GLU A 41 3.824 16.412 -8.590 1.00 0.00 O ATOM 560 OE2 GLU A 41 5.600 17.101 -9.688 1.00 0.00 O ATOM 0 H GLU A 41 5.074 12.692 -13.177 1.00 0.00 H new ATOM 0 HA GLU A 41 6.221 14.658 -11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.325 13.898 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.064 13.981 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.492 16.277 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.918 16.100 -11.012 1.00 0.00 H new ATOM 567 N PRO A 42 6.582 12.795 -9.617 1.00 0.00 N ATOM 568 CA PRO A 42 7.096 11.681 -8.814 1.00 0.00 C ATOM 569 C PRO A 42 5.978 10.856 -8.186 1.00 0.00 C ATOM 570 O PRO A 42 5.144 11.382 -7.449 1.00 0.00 O ATOM 571 CB PRO A 42 7.921 12.377 -7.729 1.00 0.00 C ATOM 572 CG PRO A 42 7.325 13.737 -7.612 1.00 0.00 C ATOM 573 CD PRO A 42 6.852 14.101 -8.992 1.00 0.00 C ATOM 0 HA PRO A 42 7.668 10.974 -9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.866 11.838 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.974 12.429 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.498 13.741 -6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.060 14.455 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.958 14.723 -8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.609 14.660 -9.542 1.00 0.00 H new ATOM 581 N TRP A 43 5.967 9.561 -8.482 1.00 0.00 N ATOM 582 CA TRP A 43 4.951 8.663 -7.945 1.00 0.00 C ATOM 583 C TRP A 43 4.731 8.918 -6.457 1.00 0.00 C ATOM 584 O TRP A 43 5.645 8.756 -5.649 1.00 0.00 O ATOM 585 CB TRP A 43 5.358 7.206 -8.171 1.00 0.00 C ATOM 586 CG TRP A 43 4.869 6.648 -9.472 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.475 6.758 -10.691 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.670 5.894 -9.685 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.726 6.118 -11.649 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.614 5.579 -11.057 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.640 5.453 -8.850 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.568 4.846 -11.610 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.602 4.725 -9.401 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.572 4.427 -10.769 1.00 0.00 C ATOM 0 H TRP A 43 6.650 9.110 -9.091 1.00 0.00 H new ATOM 0 HA TRP A 43 4.016 8.857 -8.470 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.445 7.130 -8.137 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.970 6.597 -7.354 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.406 7.273 -10.875 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.960 6.055 -12.640 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.655 5.677 -7.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.543 4.616 -12.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.800 4.380 -8.765 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.747 3.856 -11.168 1.00 0.00 H new ATOM 605 N ASP A 44 3.514 9.315 -6.104 1.00 0.00 N ATOM 606 CA ASP A 44 3.173 9.591 -4.713 1.00 0.00 C ATOM 607 C ASP A 44 2.321 8.468 -4.129 1.00 0.00 C ATOM 608 O ASP A 44 1.520 7.853 -4.834 1.00 0.00 O ATOM 609 CB ASP A 44 2.430 10.923 -4.601 1.00 0.00 C ATOM 610 CG ASP A 44 1.588 11.220 -5.827 1.00 0.00 C ATOM 611 OD1 ASP A 44 1.136 10.259 -6.484 1.00 0.00 O ATOM 612 OD2 ASP A 44 1.381 12.414 -6.128 1.00 0.00 O ATOM 0 H ASP A 44 2.747 9.453 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 44 4.100 9.653 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.790 10.906 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.151 11.727 -4.455 1.00 0.00 H new ATOM 617 N ILE A 45 2.500 8.205 -2.839 1.00 0.00 N ATOM 618 CA ILE A 45 1.748 7.157 -2.162 1.00 0.00 C ATOM 619 C ILE A 45 0.309 7.100 -2.665 1.00 0.00 C ATOM 620 O ILE A 45 -0.230 6.021 -2.914 1.00 0.00 O ATOM 621 CB ILE A 45 1.738 7.367 -0.636 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.167 7.526 -0.112 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.041 6.204 0.054 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.086 6.394 -0.512 1.00 0.00 C ATOM 0 H ILE A 45 3.160 8.704 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 45 2.247 6.215 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 45 1.186 8.280 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.579 8.465 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.141 7.595 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.042 6.367 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.013 6.133 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.568 5.277 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.082 6.573 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.698 5.454 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.142 6.338 -1.599 1.00 0.00 H new ATOM 636 N ARG A 46 -0.306 8.268 -2.815 1.00 0.00 N ATOM 637 CA ARG A 46 -1.682 8.352 -3.289 1.00 0.00 C ATOM 638 C ARG A 46 -1.888 7.471 -4.518 1.00 0.00 C ATOM 639 O ARG A 46 -2.873 6.739 -4.611 1.00 0.00 O ATOM 640 CB ARG A 46 -2.043 9.801 -3.621 1.00 0.00 C ATOM 641 CG ARG A 46 -3.417 9.958 -4.251 1.00 0.00 C ATOM 642 CD ARG A 46 -3.566 11.308 -4.934 1.00 0.00 C ATOM 643 NE ARG A 46 -3.754 12.390 -3.971 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.833 12.514 -3.206 1.00 0.00 C ATOM 645 NH1 ARG A 46 -5.815 11.628 -3.290 1.00 0.00 N ATOM 646 NH2 ARG A 46 -4.931 13.527 -2.354 1.00 0.00 N ATOM 0 H ARG A 46 0.127 9.170 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.336 7.996 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.001 10.395 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.293 10.207 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.578 9.162 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.184 9.850 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.681 11.509 -5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.416 11.278 -5.616 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.016 13.089 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.744 10.848 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.642 11.726 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.177 14.211 -2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.760 13.621 -1.767 1.00 0.00 H new ATOM 660 N ASN A 47 -0.951 7.547 -5.458 1.00 0.00 N ATOM 661 CA ASN A 47 -1.031 6.757 -6.681 1.00 0.00 C ATOM 662 C ASN A 47 -0.374 5.393 -6.492 1.00 0.00 C ATOM 663 O ASN A 47 -0.928 4.365 -6.885 1.00 0.00 O ATOM 664 CB ASN A 47 -0.360 7.502 -7.838 1.00 0.00 C ATOM 665 CG ASN A 47 -1.300 8.478 -8.518 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.972 8.135 -9.491 1.00 0.00 O ATOM 667 ND2 ASN A 47 -1.351 9.703 -8.009 1.00 0.00 N ATOM 0 H ASN A 47 -0.128 8.147 -5.396 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.084 6.604 -6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.511 8.041 -7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.002 6.780 -8.570 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.965 10.403 -8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.776 9.944 -7.201 1.00 0.00 H new ATOM 674 N LEU A 48 0.808 5.390 -5.886 1.00 0.00 N ATOM 675 CA LEU A 48 1.540 4.152 -5.642 1.00 0.00 C ATOM 676 C LEU A 48 0.587 3.016 -5.290 1.00 0.00 C ATOM 677 O LEU A 48 0.710 1.904 -5.807 1.00 0.00 O ATOM 678 CB LEU A 48 2.555 4.350 -4.515 1.00 0.00 C ATOM 679 CG LEU A 48 3.371 3.118 -4.122 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.579 2.965 -5.033 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.805 3.208 -2.667 1.00 0.00 C ATOM 0 H LEU A 48 1.280 6.231 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 48 2.070 3.886 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.246 5.140 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.023 4.705 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 48 2.741 2.236 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.148 2.083 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.245 2.853 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.211 3.849 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.385 2.323 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.418 4.098 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.924 3.268 -2.028 1.00 0.00 H new ATOM 693 N LEU A 49 -0.366 3.301 -4.409 1.00 0.00 N ATOM 694 CA LEU A 49 -1.343 2.303 -3.988 1.00 0.00 C ATOM 695 C LEU A 49 -2.076 1.718 -5.191 1.00 0.00 C ATOM 696 O LEU A 49 -1.983 0.522 -5.466 1.00 0.00 O ATOM 697 CB LEU A 49 -2.348 2.923 -3.016 1.00 0.00 C ATOM 698 CG LEU A 49 -1.976 2.859 -1.534 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.446 1.480 -1.176 1.00 0.00 C ATOM 700 CD2 LEU A 49 -0.950 3.931 -1.195 1.00 0.00 C ATOM 0 H LEU A 49 -0.483 4.215 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.809 1.497 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.490 3.969 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.308 2.425 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.874 3.045 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.186 1.453 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.211 0.732 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.559 1.265 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.697 3.871 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.051 3.776 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.366 4.915 -1.413 1.00 0.00 H new ATOM 712 N VAL A 50 -2.804 2.571 -5.906 1.00 0.00 N ATOM 713 CA VAL A 50 -3.550 2.139 -7.082 1.00 0.00 C ATOM 714 C VAL A 50 -2.813 1.030 -7.825 1.00 0.00 C ATOM 715 O VAL A 50 -3.417 0.045 -8.247 1.00 0.00 O ATOM 716 CB VAL A 50 -3.800 3.312 -8.049 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.537 2.832 -9.290 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.575 4.420 -7.353 1.00 0.00 C ATOM 0 H VAL A 50 -2.893 3.564 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.508 1.759 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.837 3.715 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.705 3.674 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.939 2.076 -9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.496 2.402 -9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.743 5.240 -8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.535 4.033 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.004 4.782 -6.498 1.00 0.00 H new ATOM 728 N TRP A 51 -1.505 1.198 -7.979 1.00 0.00 N ATOM 729 CA TRP A 51 -0.684 0.210 -8.671 1.00 0.00 C ATOM 730 C TRP A 51 -0.600 -1.084 -7.870 1.00 0.00 C ATOM 731 O TRP A 51 -1.024 -2.142 -8.336 1.00 0.00 O ATOM 732 CB TRP A 51 0.720 0.765 -8.917 1.00 0.00 C ATOM 733 CG TRP A 51 1.548 -0.094 -9.823 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.703 0.050 -11.172 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.332 -1.231 -9.446 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.537 -0.930 -11.657 1.00 0.00 N ATOM 737 CE2 TRP A 51 2.937 -1.727 -10.617 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.584 -1.877 -8.233 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.775 -2.839 -10.608 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.417 -2.980 -8.225 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.005 -3.451 -9.407 1.00 0.00 C ATOM 0 H TRP A 51 -0.990 2.008 -7.635 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.153 -0.008 -9.630 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.638 1.762 -9.349 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.233 0.873 -7.961 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.239 0.820 -11.770 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.813 -1.045 -12.632 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.136 -1.521 -7.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.227 -3.205 -11.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.618 -3.487 -7.293 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.653 -4.314 -9.368 1.00 0.00 H new ATOM 752 N ILE A 52 -0.050 -0.993 -6.664 1.00 0.00 N ATOM 753 CA ILE A 52 0.088 -2.158 -5.798 1.00 0.00 C ATOM 754 C ILE A 52 -1.260 -2.831 -5.562 1.00 0.00 C ATOM 755 O ILE A 52 -1.325 -4.004 -5.196 1.00 0.00 O ATOM 756 CB ILE A 52 0.705 -1.779 -4.439 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.005 -0.999 -4.643 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.956 -3.027 -3.605 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.710 -0.649 -3.352 1.00 0.00 C ATOM 0 H ILE A 52 0.307 -0.125 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 52 0.754 -2.854 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 52 0.002 -1.142 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.678 -1.587 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.786 -0.081 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.392 -2.743 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.013 -3.546 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.643 -3.687 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.623 -0.097 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.055 -0.034 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.961 -1.564 -2.815 1.00 0.00 H new ATOM 771 N LYS A 53 -2.335 -2.080 -5.777 1.00 0.00 N ATOM 772 CA LYS A 53 -3.683 -2.603 -5.592 1.00 0.00 C ATOM 773 C LYS A 53 -4.129 -3.404 -6.811 1.00 0.00 C ATOM 774 O LYS A 53 -5.053 -4.214 -6.731 1.00 0.00 O ATOM 775 CB LYS A 53 -4.665 -1.459 -5.333 1.00 0.00 C ATOM 776 CG LYS A 53 -4.601 -0.910 -3.918 1.00 0.00 C ATOM 777 CD LYS A 53 -5.464 0.332 -3.762 1.00 0.00 C ATOM 778 CE LYS A 53 -6.930 0.029 -4.032 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.237 0.026 -5.489 1.00 0.00 N ATOM 0 H LYS A 53 -2.298 -1.107 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.672 -3.267 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.462 -0.651 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.678 -1.809 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.931 -1.674 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.568 -0.670 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.353 0.729 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.119 1.105 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.185 -0.941 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.552 0.771 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.026 0.677 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.398 0.334 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.502 -0.935 -5.786 1.00 0.00 H new ATOM 793 N LYS A 54 -3.465 -3.174 -7.939 1.00 0.00 N ATOM 794 CA LYS A 54 -3.790 -3.876 -9.175 1.00 0.00 C ATOM 795 C LYS A 54 -2.603 -4.702 -9.660 1.00 0.00 C ATOM 796 O LYS A 54 -2.648 -5.931 -9.657 1.00 0.00 O ATOM 797 CB LYS A 54 -4.207 -2.878 -10.258 1.00 0.00 C ATOM 798 CG LYS A 54 -5.520 -2.174 -9.963 1.00 0.00 C ATOM 799 CD LYS A 54 -6.013 -1.387 -11.165 1.00 0.00 C ATOM 800 CE LYS A 54 -5.447 0.024 -11.179 1.00 0.00 C ATOM 801 NZ LYS A 54 -6.181 0.908 -12.126 1.00 0.00 N ATOM 0 H LYS A 54 -2.698 -2.507 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.621 -4.551 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.422 -2.131 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.291 -3.402 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.271 -2.909 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.391 -1.502 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.727 -1.904 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.102 -1.343 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.498 0.446 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.394 -0.010 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.764 1.861 -12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.111 0.520 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.181 0.962 -11.846 1.00 0.00 H new ATOM 815 N ASN A 55 -1.542 -4.017 -10.075 1.00 0.00 N ATOM 816 CA ASN A 55 -0.342 -4.688 -10.562 1.00 0.00 C ATOM 817 C ASN A 55 0.090 -5.795 -9.604 1.00 0.00 C ATOM 818 O ASN A 55 -0.027 -6.981 -9.915 1.00 0.00 O ATOM 819 CB ASN A 55 0.795 -3.680 -10.740 1.00 0.00 C ATOM 820 CG ASN A 55 0.761 -3.005 -12.098 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.412 -3.452 -13.042 1.00 0.00 O ATOM 822 ND2 ASN A 55 0.001 -1.921 -12.200 1.00 0.00 N ATOM 0 H ASN A 55 -1.489 -2.998 -10.084 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.574 -5.138 -11.527 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.731 -2.922 -9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.751 -4.188 -10.614 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.060 -1.423 -13.088 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.522 -1.586 -11.390 1.00 0.00 H new ATOM 829 N LEU A 56 0.587 -5.399 -8.438 1.00 0.00 N ATOM 830 CA LEU A 56 1.036 -6.356 -7.433 1.00 0.00 C ATOM 831 C LEU A 56 -0.136 -7.172 -6.897 1.00 0.00 C ATOM 832 O LEU A 56 -0.248 -8.369 -7.167 1.00 0.00 O ATOM 833 CB LEU A 56 1.733 -5.628 -6.282 1.00 0.00 C ATOM 834 CG LEU A 56 2.844 -6.404 -5.573 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.124 -6.375 -6.393 1.00 0.00 C ATOM 836 CD2 LEU A 56 3.086 -5.835 -4.182 1.00 0.00 C ATOM 0 H LEU A 56 0.689 -4.422 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 56 1.744 -7.037 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.155 -4.700 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.980 -5.353 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 56 2.528 -7.442 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.903 -6.932 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.942 -6.829 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.446 -5.342 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.879 -6.399 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.381 -4.789 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.171 -5.910 -3.594 1.00 0.00 H new ATOM 848 N LEU A 57 -1.008 -6.518 -6.138 1.00 0.00 N ATOM 849 CA LEU A 57 -2.174 -7.182 -5.566 1.00 0.00 C ATOM 850 C LEU A 57 -2.912 -7.995 -6.625 1.00 0.00 C ATOM 851 O LEU A 57 -3.349 -7.458 -7.643 1.00 0.00 O ATOM 852 CB LEU A 57 -3.120 -6.152 -4.947 1.00 0.00 C ATOM 853 CG LEU A 57 -4.337 -6.714 -4.212 1.00 0.00 C ATOM 854 CD1 LEU A 57 -3.935 -7.257 -2.850 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.413 -5.647 -4.067 1.00 0.00 C ATOM 0 H LEU A 57 -0.930 -5.528 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.828 -7.862 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.550 -5.539 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.472 -5.490 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.745 -7.535 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.814 -7.653 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.201 -8.053 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.501 -6.455 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.272 -6.065 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.016 -4.805 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.723 -5.306 -5.055 1.00 0.00 H new ATOM 867 N LYS A 58 -3.050 -9.293 -6.377 1.00 0.00 N ATOM 868 CA LYS A 58 -3.738 -10.181 -7.306 1.00 0.00 C ATOM 869 C LYS A 58 -5.152 -10.486 -6.822 1.00 0.00 C ATOM 870 O LYS A 58 -6.049 -10.742 -7.624 1.00 0.00 O ATOM 871 CB LYS A 58 -2.953 -11.485 -7.474 1.00 0.00 C ATOM 872 CG LYS A 58 -3.107 -12.115 -8.847 1.00 0.00 C ATOM 873 CD LYS A 58 -4.292 -13.065 -8.895 1.00 0.00 C ATOM 874 CE LYS A 58 -4.613 -13.484 -10.322 1.00 0.00 C ATOM 875 NZ LYS A 58 -3.683 -14.539 -10.813 1.00 0.00 N ATOM 0 H LYS A 58 -2.694 -9.754 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.804 -9.676 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.897 -11.290 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.282 -12.197 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.236 -11.333 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.196 -12.655 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.076 -13.949 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.164 -12.584 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.638 -13.852 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.555 -12.615 -10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.935 -14.797 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.707 -14.179 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.757 -15.378 -10.203 1.00 0.00 H new ATOM 889 N GLU A 59 -5.342 -10.453 -5.507 1.00 0.00 N ATOM 890 CA GLU A 59 -6.648 -10.725 -4.918 1.00 0.00 C ATOM 891 C GLU A 59 -7.524 -9.476 -4.936 1.00 0.00 C ATOM 892 O GLU A 59 -7.128 -8.435 -5.462 1.00 0.00 O ATOM 893 CB GLU A 59 -6.489 -11.229 -3.482 1.00 0.00 C ATOM 894 CG GLU A 59 -6.185 -12.715 -3.388 1.00 0.00 C ATOM 895 CD GLU A 59 -5.340 -13.211 -4.545 1.00 0.00 C ATOM 896 OE1 GLU A 59 -4.098 -13.124 -4.453 1.00 0.00 O ATOM 897 OE2 GLU A 59 -5.922 -13.688 -5.542 1.00 0.00 O ATOM 0 H GLU A 59 -4.609 -10.241 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.134 -11.497 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.688 -10.672 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.404 -11.018 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.666 -12.918 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.121 -13.273 -3.361 1.00 0.00 H new ATOM 904 N ARG A 60 -8.716 -9.588 -4.360 1.00 0.00 N ATOM 905 CA ARG A 60 -9.649 -8.469 -4.312 1.00 0.00 C ATOM 906 C ARG A 60 -9.039 -7.284 -3.568 1.00 0.00 C ATOM 907 O ARG A 60 -8.463 -7.426 -2.490 1.00 0.00 O ATOM 908 CB ARG A 60 -10.953 -8.893 -3.633 1.00 0.00 C ATOM 909 CG ARG A 60 -11.965 -9.505 -4.588 1.00 0.00 C ATOM 910 CD ARG A 60 -12.670 -8.439 -5.411 1.00 0.00 C ATOM 911 NE ARG A 60 -13.723 -9.003 -6.252 1.00 0.00 N ATOM 912 CZ ARG A 60 -14.373 -8.310 -7.180 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.079 -7.033 -7.385 1.00 0.00 N ATOM 914 NH2 ARG A 60 -15.318 -8.894 -7.905 1.00 0.00 N ATOM 0 H ARG A 60 -9.059 -10.442 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.863 -8.163 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.726 -9.613 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.401 -8.024 -3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.461 -10.206 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.702 -10.076 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.100 -7.692 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.942 -7.925 -6.038 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.973 -9.983 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.352 -6.581 -6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.579 -6.503 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.546 -9.876 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.817 -8.361 -8.617 1.00 0.00 H new ATOM 928 N PRO A 61 -9.167 -6.086 -4.158 1.00 0.00 N ATOM 929 CA PRO A 61 -8.635 -4.853 -3.570 1.00 0.00 C ATOM 930 C PRO A 61 -9.401 -4.429 -2.321 1.00 0.00 C ATOM 931 O PRO A 61 -8.805 -4.173 -1.275 1.00 0.00 O ATOM 932 CB PRO A 61 -8.817 -3.820 -4.685 1.00 0.00 C ATOM 933 CG PRO A 61 -9.946 -4.343 -5.505 1.00 0.00 C ATOM 934 CD PRO A 61 -9.842 -5.842 -5.444 1.00 0.00 C ATOM 0 HA PRO A 61 -7.602 -4.970 -3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.046 -2.835 -4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.910 -3.716 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.904 -4.002 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.878 -3.989 -6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.824 -6.314 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.268 -6.239 -6.281 1.00 0.00 H new ATOM 942 N GLU A 62 -10.723 -4.359 -2.438 1.00 0.00 N ATOM 943 CA GLU A 62 -11.569 -3.966 -1.317 1.00 0.00 C ATOM 944 C GLU A 62 -11.174 -4.716 -0.048 1.00 0.00 C ATOM 945 O GLU A 62 -11.443 -4.262 1.064 1.00 0.00 O ATOM 946 CB GLU A 62 -13.040 -4.230 -1.642 1.00 0.00 C ATOM 947 CG GLU A 62 -13.454 -5.681 -1.455 1.00 0.00 C ATOM 948 CD GLU A 62 -14.045 -5.947 -0.084 1.00 0.00 C ATOM 949 OE1 GLU A 62 -13.568 -5.338 0.896 1.00 0.00 O ATOM 950 OE2 GLU A 62 -14.985 -6.764 0.007 1.00 0.00 O ATOM 0 H GLU A 62 -11.231 -4.569 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.429 -2.899 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.662 -3.599 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.234 -3.936 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.184 -5.948 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.587 -6.324 -1.604 1.00 0.00 H new ATOM 957 N LEU A 63 -10.535 -5.868 -0.224 1.00 0.00 N ATOM 958 CA LEU A 63 -10.103 -6.683 0.906 1.00 0.00 C ATOM 959 C LEU A 63 -8.848 -6.101 1.549 1.00 0.00 C ATOM 960 O LEU A 63 -8.811 -5.860 2.756 1.00 0.00 O ATOM 961 CB LEU A 63 -9.839 -8.120 0.452 1.00 0.00 C ATOM 962 CG LEU A 63 -11.016 -9.088 0.569 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.275 -8.471 -0.022 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.693 -10.406 -0.119 1.00 0.00 C ATOM 0 H LEU A 63 -10.305 -6.258 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.901 -6.684 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.515 -8.097 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.008 -8.517 1.036 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.194 -9.287 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.103 -9.174 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.517 -7.554 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.109 -8.242 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.542 -11.083 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.488 -10.225 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.817 -10.856 0.349 1.00 0.00 H new ATOM 976 N PHE A 64 -7.823 -5.876 0.734 1.00 0.00 N ATOM 977 CA PHE A 64 -6.566 -5.321 1.223 1.00 0.00 C ATOM 978 C PHE A 64 -6.675 -3.811 1.412 1.00 0.00 C ATOM 979 O PHE A 64 -6.537 -3.302 2.524 1.00 0.00 O ATOM 980 CB PHE A 64 -5.429 -5.645 0.252 1.00 0.00 C ATOM 981 CG PHE A 64 -4.064 -5.367 0.813 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.664 -5.936 2.011 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.180 -4.537 0.142 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.408 -5.682 2.529 1.00 0.00 C ATOM 985 CE2 PHE A 64 -1.923 -4.279 0.655 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.536 -4.853 1.850 1.00 0.00 C ATOM 0 H PHE A 64 -7.838 -6.069 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.349 -5.775 2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.490 -6.696 -0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.564 -5.063 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.341 -6.585 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.477 -4.086 -0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.108 -6.131 3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.244 -3.629 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.554 -4.654 2.253 1.00 0.00 H new ATOM 996 N ILE A 65 -6.923 -3.101 0.316 1.00 0.00 N ATOM 997 CA ILE A 65 -7.051 -1.649 0.361 1.00 0.00 C ATOM 998 C ILE A 65 -8.316 -1.187 -0.354 1.00 0.00 C ATOM 999 O ILE A 65 -8.730 -1.781 -1.349 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.832 -0.957 -0.278 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.550 -1.355 0.456 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.012 0.554 -0.260 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.289 -0.885 -0.234 1.00 0.00 C ATOM 0 H ILE A 65 -7.039 -3.507 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.108 -1.369 1.413 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.750 -1.282 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.577 -0.945 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.518 -2.440 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.143 1.029 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.907 0.821 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.115 0.896 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.419 -1.202 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.239 -1.316 -1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.298 0.202 -0.308 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.924 -0.123 0.160 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.142 0.420 -0.431 1.00 0.00 C ATOM 1017 C GLN A 66 -9.923 1.849 -0.914 1.00 0.00 C ATOM 1018 O GLN A 66 -9.982 2.796 -0.131 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.287 0.382 0.584 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.659 0.228 -0.053 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.690 -0.324 0.911 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.887 0.212 2.002 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -14.357 -1.401 0.513 1.00 0.00 N ATOM 0 H GLN A 66 -8.594 0.380 0.984 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.406 -0.198 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.122 -0.444 1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.270 1.299 1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.995 1.197 -0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.583 -0.434 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.162 -1.813 -0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.064 -1.816 1.120 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.668 1.998 -2.211 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.443 3.316 -2.776 1.00 0.00 C ATOM 1034 C GLY A 67 -7.969 3.640 -2.922 1.00 0.00 C ATOM 1035 O GLY A 67 -7.114 2.784 -2.699 1.00 0.00 O ATOM 0 H GLY A 67 -9.613 1.230 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.924 3.376 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.916 4.066 -2.141 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.672 4.878 -3.300 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.292 5.313 -3.477 1.00 0.00 C ATOM 1041 C ASP A 68 -5.546 5.308 -2.146 1.00 0.00 C ATOM 1042 O ASP A 68 -4.317 5.363 -2.112 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.251 6.713 -4.093 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.278 6.891 -5.193 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.956 6.587 -6.361 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -8.404 7.334 -4.886 1.00 0.00 O ATOM 0 H ASP A 68 -8.369 5.598 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.800 4.613 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.425 7.455 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.256 6.901 -4.495 1.00 0.00 H new ATOM 1051 N SER A 69 -6.298 5.242 -1.052 1.00 0.00 N ATOM 1052 CA SER A 69 -5.708 5.234 0.282 1.00 0.00 C ATOM 1053 C SER A 69 -5.783 3.842 0.901 1.00 0.00 C ATOM 1054 O SER A 69 -6.672 3.054 0.579 1.00 0.00 O ATOM 1055 CB SER A 69 -6.421 6.244 1.183 1.00 0.00 C ATOM 1056 OG SER A 69 -6.142 5.993 2.550 1.00 0.00 O ATOM 0 H SER A 69 -7.317 5.193 -1.063 1.00 0.00 H new ATOM 0 HA SER A 69 -4.659 5.516 0.190 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.105 7.254 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.496 6.193 1.013 1.00 0.00 H new ATOM 0 HG SER A 69 -6.608 6.653 3.105 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.841 3.546 1.791 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.800 2.249 2.457 1.00 0.00 C ATOM 1064 C VAL A 70 -5.883 2.144 3.524 1.00 0.00 C ATOM 1065 O VAL A 70 -6.053 3.048 4.343 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.427 1.997 3.109 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.334 1.952 2.051 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.129 3.063 4.151 1.00 0.00 C ATOM 0 H VAL A 70 -4.097 4.186 2.067 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.975 1.494 1.691 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.454 1.030 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.371 1.773 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.543 1.148 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.303 2.903 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.155 2.869 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.120 4.044 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.897 3.041 4.924 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.615 1.035 3.510 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.683 0.812 4.476 1.00 0.00 C ATOM 1080 C ARG A 71 -7.254 1.250 5.873 1.00 0.00 C ATOM 1081 O ARG A 71 -6.068 1.410 6.162 1.00 0.00 O ATOM 1082 CB ARG A 71 -8.084 -0.665 4.494 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.210 -1.002 3.530 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.529 -2.489 3.544 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.936 -2.749 3.251 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.907 -2.635 4.151 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -11.625 -2.267 5.392 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -13.163 -2.890 3.808 1.00 0.00 N ATOM 0 H ARG A 71 -6.488 0.277 2.840 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.542 1.411 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.213 -1.272 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.388 -0.938 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.102 -0.435 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.930 -0.698 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.905 -3.001 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.279 -2.904 4.520 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.187 -3.034 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.660 -2.070 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.372 -2.180 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.383 -3.174 2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.908 -2.802 4.499 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.239 1.449 6.761 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.987 1.871 8.142 1.00 0.00 C ATOM 1104 C PRO A 72 -7.328 0.775 8.972 1.00 0.00 C ATOM 1105 O PRO A 72 -7.102 0.941 10.169 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.387 2.180 8.679 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.304 1.349 7.849 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.675 1.277 6.484 1.00 0.00 C ATOM 0 HA PRO A 72 -7.300 2.716 8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.470 1.926 9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.621 3.241 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.424 0.354 8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.297 1.795 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.879 0.323 5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.054 2.058 5.825 1.00 0.00 H new ATOM 1116 N GLY A 73 -7.023 -0.347 8.327 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.392 -1.454 9.022 1.00 0.00 C ATOM 1118 C GLY A 73 -4.960 -1.677 8.578 1.00 0.00 C ATOM 1119 O GLY A 73 -4.091 -1.985 9.395 1.00 0.00 O ATOM 0 H GLY A 73 -7.202 -0.509 7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.411 -1.263 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.968 -2.363 8.850 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.713 -1.522 7.282 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.376 -1.709 6.732 1.00 0.00 C ATOM 1125 C ILE A 74 -2.435 -0.597 7.184 1.00 0.00 C ATOM 1126 O ILE A 74 -2.641 0.574 6.862 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.401 -1.752 5.193 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.606 -2.557 4.703 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.107 -2.346 4.658 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.714 -3.928 5.334 1.00 0.00 C ATOM 0 H ILE A 74 -5.421 -1.267 6.593 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.011 -2.665 7.108 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.492 -0.733 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.517 -1.996 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.543 -2.668 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.140 -2.369 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.265 -1.735 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.987 -3.360 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.591 -4.442 4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.820 -4.507 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.809 -3.825 6.415 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.401 -0.971 7.929 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.426 -0.005 8.424 1.00 0.00 C ATOM 1144 C LEU A 75 0.825 0.000 7.552 1.00 0.00 C ATOM 1145 O LEU A 75 1.601 -0.956 7.555 1.00 0.00 O ATOM 1146 CB LEU A 75 -0.051 -0.326 9.872 1.00 0.00 C ATOM 1147 CG LEU A 75 -1.173 -0.187 10.902 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.862 -1.008 12.144 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.384 1.275 11.267 1.00 0.00 C ATOM 0 H LEU A 75 -1.216 -1.936 8.204 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.879 0.986 8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.326 -1.348 9.911 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.769 0.328 10.167 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.094 -0.567 10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.671 -0.897 12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.762 -2.058 11.870 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.070 -0.658 12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.186 1.355 12.001 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.465 1.681 11.689 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.653 1.838 10.373 1.00 0.00 H new ATOM 1161 N VAL A 76 1.017 1.085 6.808 1.00 0.00 N ATOM 1162 CA VAL A 76 2.176 1.217 5.933 1.00 0.00 C ATOM 1163 C VAL A 76 3.334 1.896 6.655 1.00 0.00 C ATOM 1164 O VAL A 76 3.128 2.699 7.566 1.00 0.00 O ATOM 1165 CB VAL A 76 1.833 2.021 4.665 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.558 1.493 4.026 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.703 3.501 4.992 1.00 0.00 C ATOM 0 H VAL A 76 0.385 1.885 6.794 1.00 0.00 H new ATOM 0 HA VAL A 76 2.472 0.208 5.645 1.00 0.00 H new ATOM 0 HB VAL A 76 2.646 1.901 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.332 2.074 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.694 0.446 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.267 1.580 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.460 4.054 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.910 3.643 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.645 3.868 5.400 1.00 0.00 H new ATOM 1177 N LEU A 77 4.554 1.570 6.242 1.00 0.00 N ATOM 1178 CA LEU A 77 5.748 2.150 6.849 1.00 0.00 C ATOM 1179 C LEU A 77 6.860 2.310 5.817 1.00 0.00 C ATOM 1180 O LEU A 77 7.298 1.335 5.206 1.00 0.00 O ATOM 1181 CB LEU A 77 6.232 1.274 8.005 1.00 0.00 C ATOM 1182 CG LEU A 77 5.654 1.602 9.383 1.00 0.00 C ATOM 1183 CD1 LEU A 77 5.610 0.356 10.253 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.470 2.696 10.056 1.00 0.00 C ATOM 0 H LEU A 77 4.743 0.908 5.490 1.00 0.00 H new ATOM 0 HA LEU A 77 5.489 3.137 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.996 0.236 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.318 1.349 8.061 1.00 0.00 H new ATOM 0 HG LEU A 77 4.635 1.965 9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.196 0.608 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.983 -0.398 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.619 -0.037 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.045 2.917 11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.500 2.360 10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.450 3.595 9.441 1.00 0.00 H new ATOM 1196 N ILE A 78 7.312 3.545 5.630 1.00 0.00 N ATOM 1197 CA ILE A 78 8.375 3.832 4.675 1.00 0.00 C ATOM 1198 C ILE A 78 9.735 3.879 5.363 1.00 0.00 C ATOM 1199 O ILE A 78 9.925 4.608 6.336 1.00 0.00 O ATOM 1200 CB ILE A 78 8.134 5.169 3.949 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.720 5.210 3.366 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.170 5.370 2.853 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.149 6.607 3.263 1.00 0.00 C ATOM 0 H ILE A 78 6.959 4.363 6.127 1.00 0.00 H new ATOM 0 HA ILE A 78 8.368 3.024 3.944 1.00 0.00 H new ATOM 0 HB ILE A 78 8.233 5.980 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.731 4.757 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.062 4.602 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.987 6.319 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.167 5.379 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.099 4.556 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.145 6.559 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.105 7.056 4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.785 7.213 2.618 1.00 0.00 H new ATOM 1215 N ASN A 79 10.679 3.096 4.851 1.00 0.00 N ATOM 1216 CA ASN A 79 12.023 3.049 5.416 1.00 0.00 C ATOM 1217 C ASN A 79 11.971 2.995 6.940 1.00 0.00 C ATOM 1218 O ASN A 79 12.794 3.606 7.621 1.00 0.00 O ATOM 1219 CB ASN A 79 12.831 4.267 4.965 1.00 0.00 C ATOM 1220 CG ASN A 79 12.881 4.402 3.455 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.553 5.452 2.904 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.292 3.335 2.779 1.00 0.00 N ATOM 0 H ASN A 79 10.538 2.486 4.046 1.00 0.00 H new ATOM 0 HA ASN A 79 12.511 2.144 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.393 5.169 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.846 4.190 5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.345 3.366 1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.554 2.485 3.278 1.00 0.00 H new ATOM 1229 N ASP A 80 10.999 2.259 7.467 1.00 0.00 N ATOM 1230 CA ASP A 80 10.839 2.123 8.910 1.00 0.00 C ATOM 1231 C ASP A 80 10.444 3.454 9.541 1.00 0.00 C ATOM 1232 O ASP A 80 11.070 3.910 10.497 1.00 0.00 O ATOM 1233 CB ASP A 80 12.135 1.610 9.541 1.00 0.00 C ATOM 1234 CG ASP A 80 12.747 0.465 8.758 1.00 0.00 C ATOM 1235 OD1 ASP A 80 11.986 -0.282 8.109 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.986 0.316 8.795 1.00 0.00 O ATOM 0 H ASP A 80 10.310 1.747 6.916 1.00 0.00 H new ATOM 0 HA ASP A 80 10.042 1.403 9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.853 2.428 9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.934 1.282 10.561 1.00 0.00 H new ATOM 1241 N ALA A 81 9.401 4.074 8.998 1.00 0.00 N ATOM 1242 CA ALA A 81 8.922 5.353 9.508 1.00 0.00 C ATOM 1243 C ALA A 81 7.472 5.596 9.104 1.00 0.00 C ATOM 1244 O ALA A 81 7.177 5.843 7.934 1.00 0.00 O ATOM 1245 CB ALA A 81 9.808 6.485 9.010 1.00 0.00 C ATOM 0 H ALA A 81 8.872 3.711 8.205 1.00 0.00 H new ATOM 0 HA ALA A 81 8.968 5.323 10.597 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.439 7.434 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.830 6.325 9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.791 6.508 7.920 1.00 0.00 H new ATOM 1251 N ASP A 82 6.571 5.525 10.078 1.00 0.00 N ATOM 1252 CA ASP A 82 5.151 5.738 9.823 1.00 0.00 C ATOM 1253 C ASP A 82 4.946 6.794 8.741 1.00 0.00 C ATOM 1254 O ASP A 82 5.302 7.958 8.921 1.00 0.00 O ATOM 1255 CB ASP A 82 4.439 6.162 11.108 1.00 0.00 C ATOM 1256 CG ASP A 82 3.965 4.976 11.925 1.00 0.00 C ATOM 1257 OD1 ASP A 82 3.195 4.154 11.385 1.00 0.00 O ATOM 1258 OD2 ASP A 82 4.363 4.869 13.104 1.00 0.00 O ATOM 0 H ASP A 82 6.799 5.322 11.051 1.00 0.00 H new ATOM 0 HA ASP A 82 4.724 4.798 9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.115 6.768 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.585 6.791 10.856 1.00 0.00 H new ATOM 1263 N TRP A 83 4.371 6.379 7.618 1.00 0.00 N ATOM 1264 CA TRP A 83 4.119 7.289 6.507 1.00 0.00 C ATOM 1265 C TRP A 83 3.345 8.517 6.974 1.00 0.00 C ATOM 1266 O TRP A 83 3.301 9.533 6.281 1.00 0.00 O ATOM 1267 CB TRP A 83 3.344 6.572 5.400 1.00 0.00 C ATOM 1268 CG TRP A 83 1.951 6.193 5.800 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.538 5.772 7.032 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.788 6.197 4.965 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.188 5.514 7.013 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.295 5.769 5.757 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.556 6.524 3.626 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.588 5.658 5.252 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.728 6.413 3.127 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.787 5.984 3.938 1.00 0.00 C ATOM 0 H TRP A 83 4.071 5.418 7.453 1.00 0.00 H new ATOM 0 HA TRP A 83 5.081 7.618 6.113 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.300 7.216 4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.888 5.673 5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.178 5.658 7.894 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.364 5.186 7.805 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.365 6.857 2.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.405 5.326 5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.919 6.661 2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.779 5.909 3.518 1.00 0.00 H new ATOM 1287 N GLU A 84 2.736 8.415 8.151 1.00 0.00 N ATOM 1288 CA GLU A 84 1.963 9.519 8.708 1.00 0.00 C ATOM 1289 C GLU A 84 2.859 10.721 8.993 1.00 0.00 C ATOM 1290 O GLU A 84 2.475 11.867 8.754 1.00 0.00 O ATOM 1291 CB GLU A 84 1.258 9.080 9.993 1.00 0.00 C ATOM 1292 CG GLU A 84 0.424 7.820 9.829 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.988 8.112 9.357 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.596 9.075 9.869 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.484 7.378 8.478 1.00 0.00 O ATOM 0 H GLU A 84 2.763 7.580 8.737 1.00 0.00 H new ATOM 0 HA GLU A 84 1.214 9.812 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.005 8.913 10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.615 9.889 10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.912 7.156 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.383 7.290 10.780 1.00 0.00 H new ATOM 1302 N LEU A 85 4.055 10.452 9.505 1.00 0.00 N ATOM 1303 CA LEU A 85 5.007 11.511 9.824 1.00 0.00 C ATOM 1304 C LEU A 85 5.648 12.066 8.556 1.00 0.00 C ATOM 1305 O LEU A 85 5.891 13.269 8.446 1.00 0.00 O ATOM 1306 CB LEU A 85 6.089 10.984 10.768 1.00 0.00 C ATOM 1307 CG LEU A 85 5.626 10.604 12.174 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.440 11.458 12.595 1.00 0.00 C ATOM 1309 CD2 LEU A 85 5.269 9.126 12.237 1.00 0.00 C ATOM 0 H LEU A 85 4.389 9.510 9.708 1.00 0.00 H new ATOM 0 HA LEU A 85 4.465 12.317 10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.548 10.108 10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.867 11.742 10.856 1.00 0.00 H new ATOM 0 HG LEU A 85 6.446 10.790 12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.124 11.173 13.599 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.729 12.509 12.590 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.616 11.305 11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.942 8.873 13.246 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.466 8.915 11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.144 8.529 11.979 1.00 0.00 H new ATOM 1321 N LEU A 86 5.918 11.184 7.600 1.00 0.00 N ATOM 1322 CA LEU A 86 6.529 11.586 6.338 1.00 0.00 C ATOM 1323 C LEU A 86 5.504 12.252 5.425 1.00 0.00 C ATOM 1324 O LEU A 86 5.597 13.445 5.138 1.00 0.00 O ATOM 1325 CB LEU A 86 7.141 10.372 5.636 1.00 0.00 C ATOM 1326 CG LEU A 86 7.923 9.406 6.527 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.987 8.027 5.890 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.324 9.939 6.790 1.00 0.00 C ATOM 0 H LEU A 86 5.723 10.186 7.675 1.00 0.00 H new ATOM 0 HA LEU A 86 7.317 12.307 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.340 9.817 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.806 10.729 4.850 1.00 0.00 H new ATOM 0 HG LEU A 86 7.403 9.320 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.547 7.353 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.976 7.642 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.483 8.096 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.866 9.239 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.853 10.055 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.258 10.906 7.289 1.00 0.00 H new ATOM 1340 N GLY A 87 4.526 11.473 4.974 1.00 0.00 N ATOM 1341 CA GLY A 87 3.497 12.006 4.100 1.00 0.00 C ATOM 1342 C GLY A 87 2.534 10.938 3.620 1.00 0.00 C ATOM 1343 O GLY A 87 2.735 10.344 2.561 1.00 0.00 O ATOM 0 H GLY A 87 4.428 10.483 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.942 12.781 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.966 12.481 3.239 1.00 0.00 H new ATOM 1347 N GLU A 88 1.487 10.692 4.401 1.00 0.00 N ATOM 1348 CA GLU A 88 0.492 9.686 4.050 1.00 0.00 C ATOM 1349 C GLU A 88 0.288 9.628 2.539 1.00 0.00 C ATOM 1350 O GLU A 88 0.728 8.686 1.878 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.838 9.989 4.744 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.847 9.639 6.222 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.245 9.392 6.755 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -2.882 8.411 6.317 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.702 10.180 7.610 1.00 0.00 O ATOM 0 H GLU A 88 1.306 11.175 5.281 1.00 0.00 H new ATOM 0 HA GLU A 88 0.857 8.716 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.065 11.049 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.633 9.437 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.238 8.750 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.385 10.449 6.786 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.384 10.639 1.999 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.647 10.703 0.565 1.00 0.00 C ATOM 1364 C LEU A 89 0.009 11.933 -0.054 1.00 0.00 C ATOM 1365 O LEU A 89 -0.396 12.393 -1.122 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.154 10.729 0.305 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.956 9.564 0.887 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.428 9.931 0.995 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.777 8.316 0.036 1.00 0.00 C ATOM 0 H LEU A 89 -0.756 11.425 2.532 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.219 9.814 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.556 11.658 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.316 10.753 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.581 9.354 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.983 9.090 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.540 10.798 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.817 10.169 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.355 7.497 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.125 8.514 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.722 8.041 0.010 1.00 0.00 H new ATOM 1381 N ASP A 90 1.024 12.459 0.621 1.00 0.00 N ATOM 1382 CA ASP A 90 1.739 13.634 0.136 1.00 0.00 C ATOM 1383 C ASP A 90 3.184 13.287 -0.209 1.00 0.00 C ATOM 1384 O ASP A 90 3.800 13.925 -1.063 1.00 0.00 O ATOM 1385 CB ASP A 90 1.704 14.747 1.183 1.00 0.00 C ATOM 1386 CG ASP A 90 2.182 16.076 0.632 1.00 0.00 C ATOM 1387 OD1 ASP A 90 3.338 16.144 0.164 1.00 0.00 O ATOM 1388 OD2 ASP A 90 1.399 17.048 0.667 1.00 0.00 O ATOM 0 H ASP A 90 1.371 12.090 1.507 1.00 0.00 H new ATOM 0 HA ASP A 90 1.242 13.983 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.686 14.857 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.327 14.464 2.031 1.00 0.00 H new ATOM 1393 N TYR A 91 3.719 12.273 0.462 1.00 0.00 N ATOM 1394 CA TYR A 91 5.093 11.843 0.230 1.00 0.00 C ATOM 1395 C TYR A 91 5.261 11.295 -1.184 1.00 0.00 C ATOM 1396 O TYR A 91 4.596 10.334 -1.571 1.00 0.00 O ATOM 1397 CB TYR A 91 5.497 10.780 1.253 1.00 0.00 C ATOM 1398 CG TYR A 91 6.961 10.407 1.193 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.444 9.569 0.195 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.861 10.891 2.134 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.781 9.225 0.136 1.00 0.00 C ATOM 1402 CE2 TYR A 91 9.199 10.554 2.082 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.654 9.720 1.082 1.00 0.00 C ATOM 1404 OH TYR A 91 10.987 9.381 1.028 1.00 0.00 O ATOM 0 H TYR A 91 3.222 11.733 1.171 1.00 0.00 H new ATOM 0 HA TYR A 91 5.742 12.711 0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.264 11.144 2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.896 9.885 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.763 9.180 -0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.508 11.542 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.140 8.573 -0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.886 10.941 2.820 1.00 0.00 H new ATOM 0 HH TYR A 91 11.465 9.814 1.766 1.00 0.00 H new ATOM 1414 N GLN A 92 6.154 11.913 -1.949 1.00 0.00 N ATOM 1415 CA GLN A 92 6.410 11.487 -3.320 1.00 0.00 C ATOM 1416 C GLN A 92 7.642 10.591 -3.391 1.00 0.00 C ATOM 1417 O GLN A 92 8.775 11.067 -3.302 1.00 0.00 O ATOM 1418 CB GLN A 92 6.598 12.704 -4.228 1.00 0.00 C ATOM 1419 CG GLN A 92 5.530 13.771 -4.043 1.00 0.00 C ATOM 1420 CD GLN A 92 5.863 14.743 -2.929 1.00 0.00 C ATOM 1421 OE1 GLN A 92 6.833 14.555 -2.195 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.057 15.790 -2.796 1.00 0.00 N ATOM 0 H GLN A 92 6.712 12.710 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 92 5.547 10.916 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.577 13.144 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.596 12.376 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.407 14.322 -4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.575 13.291 -3.828 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.264 15.907 -3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.231 16.478 -2.063 1.00 0.00 H new ATOM 1431 N LEU A 93 7.414 9.292 -3.551 1.00 0.00 N ATOM 1432 CA LEU A 93 8.506 8.328 -3.633 1.00 0.00 C ATOM 1433 C LEU A 93 9.462 8.684 -4.767 1.00 0.00 C ATOM 1434 O LEU A 93 9.036 9.125 -5.834 1.00 0.00 O ATOM 1435 CB LEU A 93 7.952 6.917 -3.841 1.00 0.00 C ATOM 1436 CG LEU A 93 7.094 6.359 -2.705 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.716 4.912 -2.984 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.827 6.474 -1.377 1.00 0.00 C ATOM 0 H LEU A 93 6.483 8.882 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 93 9.058 8.360 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.357 6.913 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.790 6.239 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 93 6.178 6.947 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.106 4.531 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.151 4.856 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.621 4.310 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.201 6.072 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.759 5.911 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.047 7.522 -1.172 1.00 0.00 H new ATOM 1450 N GLN A 94 10.754 8.487 -4.528 1.00 0.00 N ATOM 1451 CA GLN A 94 11.770 8.786 -5.531 1.00 0.00 C ATOM 1452 C GLN A 94 12.291 7.506 -6.177 1.00 0.00 C ATOM 1453 O GLN A 94 11.948 7.190 -7.316 1.00 0.00 O ATOM 1454 CB GLN A 94 12.928 9.560 -4.899 1.00 0.00 C ATOM 1455 CG GLN A 94 12.507 10.877 -4.267 1.00 0.00 C ATOM 1456 CD GLN A 94 12.281 11.970 -5.293 1.00 0.00 C ATOM 1457 OE1 GLN A 94 12.345 11.729 -6.499 1.00 0.00 O ATOM 1458 NE2 GLN A 94 12.015 13.181 -4.819 1.00 0.00 N ATOM 0 H GLN A 94 11.122 8.122 -3.650 1.00 0.00 H new ATOM 0 HA GLN A 94 11.311 9.401 -6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.399 8.936 -4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.681 9.757 -5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.591 10.725 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.273 11.199 -3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.971 13.336 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.854 13.956 -5.462 1.00 0.00 H new ATOM 1467 N ASP A 95 13.120 6.773 -5.442 1.00 0.00 N ATOM 1468 CA ASP A 95 13.688 5.527 -5.942 1.00 0.00 C ATOM 1469 C ASP A 95 14.373 4.753 -4.821 1.00 0.00 C ATOM 1470 O ASP A 95 14.445 5.221 -3.685 1.00 0.00 O ATOM 1471 CB ASP A 95 14.685 5.811 -7.067 1.00 0.00 C ATOM 1472 CG ASP A 95 15.903 6.572 -6.581 1.00 0.00 C ATOM 1473 OD1 ASP A 95 16.787 5.944 -5.960 1.00 0.00 O ATOM 1474 OD2 ASP A 95 15.973 7.795 -6.823 1.00 0.00 O ATOM 0 H ASP A 95 13.414 7.021 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 95 12.874 4.917 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.003 4.869 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.190 6.385 -7.851 1.00 0.00 H new ATOM 1479 N GLN A 96 14.874 3.566 -5.148 1.00 0.00 N ATOM 1480 CA GLN A 96 15.553 2.727 -4.167 1.00 0.00 C ATOM 1481 C GLN A 96 14.883 2.836 -2.802 1.00 0.00 C ATOM 1482 O GLN A 96 15.536 2.702 -1.767 1.00 0.00 O ATOM 1483 CB GLN A 96 17.026 3.122 -4.059 1.00 0.00 C ATOM 1484 CG GLN A 96 17.750 3.146 -5.396 1.00 0.00 C ATOM 1485 CD GLN A 96 18.123 1.759 -5.882 1.00 0.00 C ATOM 1486 OE1 GLN A 96 19.099 1.168 -5.419 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.347 1.232 -6.821 1.00 0.00 N ATOM 0 H GLN A 96 14.823 3.164 -6.084 1.00 0.00 H new ATOM 0 HA GLN A 96 15.486 1.692 -4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.096 4.108 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.533 2.423 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.116 3.629 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.653 3.750 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.548 1.757 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.550 0.302 -7.187 1.00 0.00 H new ATOM 1496 N ASP A 97 13.577 3.079 -2.807 1.00 0.00 N ATOM 1497 CA ASP A 97 12.818 3.205 -1.568 1.00 0.00 C ATOM 1498 C ASP A 97 12.042 1.925 -1.273 1.00 0.00 C ATOM 1499 O ASP A 97 11.410 1.352 -2.159 1.00 0.00 O ATOM 1500 CB ASP A 97 11.855 4.391 -1.653 1.00 0.00 C ATOM 1501 CG ASP A 97 12.547 5.717 -1.405 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.574 5.727 -0.695 1.00 0.00 O ATOM 1503 OD2 ASP A 97 12.061 6.746 -1.921 1.00 0.00 O ATOM 0 H ASP A 97 13.022 3.193 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 97 13.523 3.377 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.388 4.407 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.056 4.259 -0.924 1.00 0.00 H new ATOM 1508 N SER A 98 12.098 1.481 -0.021 1.00 0.00 N ATOM 1509 CA SER A 98 11.405 0.266 0.390 1.00 0.00 C ATOM 1510 C SER A 98 10.118 0.601 1.139 1.00 0.00 C ATOM 1511 O SER A 98 10.141 1.299 2.153 1.00 0.00 O ATOM 1512 CB SER A 98 12.314 -0.590 1.274 1.00 0.00 C ATOM 1513 OG SER A 98 11.596 -1.667 1.852 1.00 0.00 O ATOM 0 H SER A 98 12.616 1.944 0.726 1.00 0.00 H new ATOM 0 HA SER A 98 11.147 -0.297 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.143 -0.978 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.747 0.027 2.062 1.00 0.00 H new ATOM 0 HG SER A 98 12.199 -2.200 2.411 1.00 0.00 H new ATOM 1519 N ILE A 99 8.998 0.098 0.631 1.00 0.00 N ATOM 1520 CA ILE A 99 7.702 0.343 1.251 1.00 0.00 C ATOM 1521 C ILE A 99 7.227 -0.878 2.032 1.00 0.00 C ATOM 1522 O ILE A 99 7.264 -2.003 1.530 1.00 0.00 O ATOM 1523 CB ILE A 99 6.637 0.713 0.202 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.249 1.594 -0.889 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.463 1.419 0.865 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.660 2.965 -0.398 1.00 0.00 C ATOM 0 H ILE A 99 8.962 -0.481 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 99 7.833 1.181 1.935 1.00 0.00 H new ATOM 0 HB ILE A 99 6.270 -0.203 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.121 1.090 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.529 1.708 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.719 1.674 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.015 0.760 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.813 2.329 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.086 3.535 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.787 3.488 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.404 2.861 0.392 1.00 0.00 H new ATOM 1538 N LEU A 100 6.779 -0.650 3.261 1.00 0.00 N ATOM 1539 CA LEU A 100 6.294 -1.731 4.112 1.00 0.00 C ATOM 1540 C LEU A 100 4.784 -1.635 4.306 1.00 0.00 C ATOM 1541 O LEU A 100 4.206 -0.550 4.241 1.00 0.00 O ATOM 1542 CB LEU A 100 6.997 -1.692 5.470 1.00 0.00 C ATOM 1543 CG LEU A 100 6.585 -2.773 6.470 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.788 -4.157 5.874 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.370 -2.628 7.766 1.00 0.00 C ATOM 0 H LEU A 100 6.741 0.274 3.691 1.00 0.00 H new ATOM 0 HA LEU A 100 6.520 -2.677 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.071 -1.770 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.815 -0.718 5.923 1.00 0.00 H new ATOM 0 HG LEU A 100 5.526 -2.648 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.489 -4.913 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.181 -4.258 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.839 -4.293 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.064 -3.406 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.436 -2.726 7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.174 -1.649 8.203 1.00 0.00 H new ATOM 1557 N PHE A 101 4.150 -2.778 4.546 1.00 0.00 N ATOM 1558 CA PHE A 101 2.707 -2.824 4.751 1.00 0.00 C ATOM 1559 C PHE A 101 2.334 -3.915 5.751 1.00 0.00 C ATOM 1560 O PHE A 101 2.730 -5.071 5.601 1.00 0.00 O ATOM 1561 CB PHE A 101 1.989 -3.068 3.422 1.00 0.00 C ATOM 1562 CG PHE A 101 2.160 -1.949 2.435 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.326 -1.832 1.695 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.154 -1.014 2.246 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.485 -0.802 0.787 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.308 0.017 1.338 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.475 0.122 0.607 1.00 0.00 C ATOM 0 H PHE A 101 4.613 -3.685 4.603 1.00 0.00 H new ATOM 0 HA PHE A 101 2.392 -1.862 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.363 -3.992 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.926 -3.214 3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.119 -2.553 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.239 -1.092 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.399 -0.720 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.517 0.739 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.597 0.925 -0.104 1.00 0.00 H new ATOM 1577 N ILE A 102 1.570 -3.538 6.771 1.00 0.00 N ATOM 1578 CA ILE A 102 1.143 -4.483 7.795 1.00 0.00 C ATOM 1579 C ILE A 102 -0.369 -4.677 7.768 1.00 0.00 C ATOM 1580 O ILE A 102 -1.124 -3.724 7.574 1.00 0.00 O ATOM 1581 CB ILE A 102 1.564 -4.018 9.201 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.062 -4.248 9.410 1.00 0.00 C ATOM 1583 CG2 ILE A 102 0.757 -4.748 10.264 1.00 0.00 C ATOM 1584 CD1 ILE A 102 3.922 -3.096 8.937 1.00 0.00 C ATOM 0 H ILE A 102 1.234 -2.585 6.910 1.00 0.00 H new ATOM 0 HA ILE A 102 1.633 -5.431 7.573 1.00 0.00 H new ATOM 0 HB ILE A 102 1.363 -2.950 9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.251 -4.420 10.470 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.360 -5.154 8.882 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.066 -4.408 11.253 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.303 -4.538 10.124 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.929 -5.821 10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.972 -3.328 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.763 -2.937 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.652 -2.192 9.483 1.00 0.00 H new ATOM 1596 N SER A 103 -0.805 -5.917 7.965 1.00 0.00 N ATOM 1597 CA SER A 103 -2.228 -6.237 7.961 1.00 0.00 C ATOM 1598 C SER A 103 -2.724 -6.523 9.375 1.00 0.00 C ATOM 1599 O SER A 103 -2.117 -7.299 10.115 1.00 0.00 O ATOM 1600 CB SER A 103 -2.499 -7.443 7.060 1.00 0.00 C ATOM 1601 OG SER A 103 -2.769 -7.036 5.730 1.00 0.00 O ATOM 0 H SER A 103 -0.193 -6.717 8.129 1.00 0.00 H new ATOM 0 HA SER A 103 -2.768 -5.374 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.637 -8.110 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.345 -8.009 7.449 1.00 0.00 H new ATOM 0 HG SER A 103 -3.491 -7.585 5.360 1.00 0.00 H new ATOM 1607 N THR A 104 -3.833 -5.890 9.746 1.00 0.00 N ATOM 1608 CA THR A 104 -4.412 -6.074 11.071 1.00 0.00 C ATOM 1609 C THR A 104 -5.854 -6.560 10.978 1.00 0.00 C ATOM 1610 O THR A 104 -6.578 -6.579 11.974 1.00 0.00 O ATOM 1611 CB THR A 104 -4.373 -4.768 11.887 1.00 0.00 C ATOM 1612 OG1 THR A 104 -4.900 -4.995 13.199 1.00 0.00 O ATOM 1613 CG2 THR A 104 -5.173 -3.674 11.196 1.00 0.00 C ATOM 0 H THR A 104 -4.348 -5.245 9.147 1.00 0.00 H new ATOM 0 HA THR A 104 -3.810 -6.828 11.578 1.00 0.00 H new ATOM 0 HB THR A 104 -3.335 -4.444 11.963 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.726 -5.519 13.134 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.131 -2.762 11.791 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.752 -3.484 10.209 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.210 -3.992 11.093 1.00 0.00 H new ATOM 1621 N LEU A 105 -6.265 -6.952 9.778 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.622 -7.440 9.555 1.00 0.00 C ATOM 1623 C LEU A 105 -7.707 -8.943 9.799 1.00 0.00 C ATOM 1624 O LEU A 105 -7.051 -9.731 9.117 1.00 0.00 O ATOM 1625 CB LEU A 105 -8.074 -7.116 8.131 1.00 0.00 C ATOM 1626 CG LEU A 105 -8.776 -5.771 7.939 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -9.873 -5.589 8.976 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -7.772 -4.630 8.015 1.00 0.00 C ATOM 0 H LEU A 105 -5.678 -6.942 8.944 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.283 -6.938 10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.201 -7.144 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.747 -7.905 7.796 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.234 -5.759 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.361 -4.627 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.607 -6.388 8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.438 -5.621 9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.289 -3.681 7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.285 -4.639 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.022 -4.752 7.233 1.00 0.00 H new ATOM 1640 N HIS A 106 -8.522 -9.335 10.773 1.00 0.00 N ATOM 1641 CA HIS A 106 -8.696 -10.744 11.105 1.00 0.00 C ATOM 1642 C HIS A 106 -9.635 -11.424 10.113 1.00 0.00 C ATOM 1643 O HIS A 106 -9.437 -12.582 9.749 1.00 0.00 O ATOM 1644 CB HIS A 106 -9.241 -10.893 12.525 1.00 0.00 C ATOM 1645 CG HIS A 106 -8.395 -10.224 13.565 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -7.072 -10.546 13.780 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -8.691 -9.243 14.450 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -6.591 -9.794 14.754 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -7.553 -8.994 15.177 1.00 0.00 N ATOM 0 H HIS A 106 -9.073 -8.696 11.346 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.721 -11.228 11.046 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.248 -10.477 12.564 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -9.325 -11.953 12.764 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -9.644 -8.748 14.563 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.582 -9.828 15.139 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.465 -8.303 15.923 1.00 0.00 H new ATOM 1658 N GLY A 107 -10.659 -10.695 9.680 1.00 0.00 N ATOM 1659 CA GLY A 107 -11.614 -11.244 8.736 1.00 0.00 C ATOM 1660 C GLY A 107 -12.949 -10.527 8.778 1.00 0.00 C ATOM 1661 O GLY A 107 -13.004 -9.299 8.750 1.00 0.00 O ATOM 0 H GLY A 107 -10.844 -9.734 9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.202 -11.180 7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.766 -12.302 8.952 1.00 0.00 H new ATOM 1665 N GLY A 108 -14.031 -11.298 8.844 1.00 0.00 N ATOM 1666 CA GLY A 108 -15.358 -10.711 8.887 1.00 0.00 C ATOM 1667 C GLY A 108 -16.187 -11.236 10.043 1.00 0.00 C ATOM 1668 O GLY A 108 -15.658 -11.508 11.121 1.00 0.00 O ATOM 0 H GLY A 108 -14.012 -12.318 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -15.270 -9.628 8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.874 -10.919 7.950 1.00 0.00 H new ATOM 1672 N SER A 109 -17.489 -11.376 9.820 1.00 0.00 N ATOM 1673 CA SER A 109 -18.394 -11.866 10.853 1.00 0.00 C ATOM 1674 C SER A 109 -18.565 -13.379 10.752 1.00 0.00 C ATOM 1675 O SER A 109 -19.159 -13.885 9.802 1.00 0.00 O ATOM 1676 CB SER A 109 -19.755 -11.178 10.737 1.00 0.00 C ATOM 1677 OG SER A 109 -19.741 -9.908 11.366 1.00 0.00 O ATOM 0 H SER A 109 -17.942 -11.157 8.933 1.00 0.00 H new ATOM 0 HA SER A 109 -17.959 -11.631 11.824 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.019 -11.064 9.686 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.522 -11.804 11.192 1.00 0.00 H new ATOM 0 HG SER A 109 -20.622 -9.489 11.276 1.00 0.00 H new ATOM 1683 N GLY A 110 -18.040 -14.095 11.742 1.00 0.00 N ATOM 1684 CA GLY A 110 -18.145 -15.542 11.747 1.00 0.00 C ATOM 1685 C GLY A 110 -18.345 -16.104 13.140 1.00 0.00 C ATOM 1686 O GLY A 110 -17.833 -15.575 14.126 1.00 0.00 O ATOM 0 H GLY A 110 -17.544 -13.698 12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -18.979 -15.845 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -17.242 -15.970 11.312 1.00 0.00 H new ATOM 1690 N PRO A 111 -19.110 -17.202 13.235 1.00 0.00 N ATOM 1691 CA PRO A 111 -19.396 -17.860 14.514 1.00 0.00 C ATOM 1692 C PRO A 111 -18.167 -18.545 15.101 1.00 0.00 C ATOM 1693 O PRO A 111 -17.094 -18.540 14.497 1.00 0.00 O ATOM 1694 CB PRO A 111 -20.463 -18.895 14.149 1.00 0.00 C ATOM 1695 CG PRO A 111 -20.240 -19.176 12.703 1.00 0.00 C ATOM 1696 CD PRO A 111 -19.753 -17.887 12.101 1.00 0.00 C ATOM 0 HA PRO A 111 -19.715 -17.149 15.276 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -20.359 -19.799 14.749 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -21.467 -18.509 14.327 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -19.507 -19.971 12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -21.161 -19.507 12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -19.050 -18.064 11.287 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -20.574 -17.300 11.690 1.00 0.00 H new ATOM 1704 N SER A 112 -18.331 -19.136 16.280 1.00 0.00 N ATOM 1705 CA SER A 112 -17.233 -19.823 16.950 1.00 0.00 C ATOM 1706 C SER A 112 -17.263 -21.318 16.647 1.00 0.00 C ATOM 1707 O SER A 112 -17.895 -22.096 17.361 1.00 0.00 O ATOM 1708 CB SER A 112 -17.309 -19.597 18.461 1.00 0.00 C ATOM 1709 OG SER A 112 -16.995 -18.255 18.792 1.00 0.00 O ATOM 0 H SER A 112 -19.214 -19.153 16.791 1.00 0.00 H new ATOM 0 HA SER A 112 -16.296 -19.412 16.574 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.310 -19.838 18.818 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.619 -20.271 18.968 1.00 0.00 H new ATOM 0 HG SER A 112 -17.052 -18.136 19.763 1.00 0.00 H new ATOM 1715 N SER A 113 -16.574 -21.712 15.580 1.00 0.00 N ATOM 1716 CA SER A 113 -16.523 -23.113 15.178 1.00 0.00 C ATOM 1717 C SER A 113 -17.928 -23.668 14.965 1.00 0.00 C ATOM 1718 O SER A 113 -18.261 -24.748 15.453 1.00 0.00 O ATOM 1719 CB SER A 113 -15.789 -23.942 16.234 1.00 0.00 C ATOM 1720 OG SER A 113 -15.437 -25.218 15.727 1.00 0.00 O ATOM 0 H SER A 113 -16.044 -21.081 14.979 1.00 0.00 H new ATOM 0 HA SER A 113 -15.980 -23.176 14.235 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.891 -23.414 16.555 1.00 0.00 H new ATOM 0 HB3 SER A 113 -16.422 -24.059 17.114 1.00 0.00 H new ATOM 0 HG SER A 113 -16.246 -25.688 15.435 1.00 0.00 H new ATOM 1726 N GLY A 114 -18.748 -22.921 14.233 1.00 0.00 N ATOM 1727 CA GLY A 114 -20.108 -23.354 13.967 1.00 0.00 C ATOM 1728 C GLY A 114 -20.952 -23.417 15.225 1.00 0.00 C ATOM 1729 O GLY A 114 -22.154 -23.673 15.161 1.00 0.00 O ATOM 0 H GLY A 114 -18.495 -22.024 13.819 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -20.571 -22.670 13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -20.088 -24.337 13.497 1.00 0.00 H new TER 1733 GLY A 114