USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 MET CE :methyl 168:sc=-0.00882 (180deg=-0.212) USER MOD Set 1.2: A 80 HIS : no HD1:sc= 0 X(o=-0.0088,f=-0.056) USER MOD Set 2.1: A 44 HIS : no HE2:sc= -0.124 K(o=-1.2,f=-4.4!) USER MOD Set 2.2: A 93 MET CE :methyl -165:sc= -1.06 (180deg=-1.82) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.21! (180deg=0.187!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.982) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 45:sc= 0.23 USER MOD Single : A 23 SER OG : rot 135:sc= 1.12 USER MOD Single : A 28 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.053) USER MOD Single : A 29 ASN : amide:sc= 0.917 K(o=0.92,f=-0.081) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= -1.98 USER MOD Single : A 35 THR OG1 : rot 75:sc= 0.617 USER MOD Single : A 37 HIS : no HE2:sc= 0.46 K(o=0.46,f=-2.3!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 156:sc= 1.3 USER MOD Single : A 53 GLN : amide:sc= 1.09 K(o=1.1,f=-1.9!) USER MOD Single : A 54 SER OG : rot -163:sc= 0.775 USER MOD Single : A 63 SER OG : rot -81:sc= 1.55 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 1.85 (180deg=1.82) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= 1.28 (180deg=0.394) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= 2.27 (180deg=1.43) USER MOD Single : A 77 SER OG : rot -47:sc= 0.2 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 3.58 (180deg=2.51) USER MOD Single : A 88 SER OG : rot 67:sc= 1.2 USER MOD Single : A 89 HIS : no HE2:sc= 0.397 K(o=0.4,f=-4.1!) USER MOD Single : A 91 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.15) USER MOD Single : A 99 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 100 SER OG : rot 12:sc= 0.291 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.794 8.141 -1.669 1.00 0.00 N ATOM 2 CA MET A 1 -15.506 9.360 -1.254 1.00 0.00 C ATOM 3 C MET A 1 -14.522 10.524 -1.173 1.00 0.00 C ATOM 4 O MET A 1 -13.961 10.835 -0.121 1.00 0.00 O ATOM 5 CB MET A 1 -16.303 9.145 0.047 1.00 0.00 C ATOM 6 CG MET A 1 -17.173 10.363 0.379 1.00 0.00 C ATOM 7 SD MET A 1 -18.182 10.180 1.873 1.00 0.00 S ATOM 8 CE MET A 1 -18.910 11.840 1.918 1.00 0.00 C ATOM 0 H1 MET A 1 -15.451 7.509 -2.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.009 8.396 -2.301 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.419 7.655 -0.829 1.00 0.00 H new ATOM 0 HA MET A 1 -16.253 9.611 -2.007 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.934 8.262 -0.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.614 8.953 0.870 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.528 11.234 0.496 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.831 10.565 -0.466 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.572 11.924 2.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.117 12.583 1.996 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.480 12.012 1.005 1.00 0.00 H new ATOM 18 N MET A 2 -14.337 11.185 -2.313 1.00 0.00 N ATOM 19 CA MET A 2 -13.606 12.446 -2.488 1.00 0.00 C ATOM 20 C MET A 2 -14.468 13.462 -3.266 1.00 0.00 C ATOM 21 O MET A 2 -14.393 14.657 -2.975 1.00 0.00 O ATOM 22 CB MET A 2 -12.260 12.182 -3.189 1.00 0.00 C ATOM 23 CG MET A 2 -11.282 11.408 -2.287 1.00 0.00 C ATOM 24 SD MET A 2 -9.748 10.839 -3.080 1.00 0.00 S ATOM 25 CE MET A 2 -8.920 12.411 -3.447 1.00 0.00 C ATOM 0 H MET A 2 -14.714 10.837 -3.194 1.00 0.00 H new ATOM 0 HA MET A 2 -13.393 12.879 -1.510 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.433 11.617 -4.105 1.00 0.00 H new ATOM 0 HB3 MET A 2 -11.811 13.131 -3.480 1.00 0.00 H new ATOM 0 HG2 MET A 2 -11.017 12.044 -1.442 1.00 0.00 H new ATOM 0 HG3 MET A 2 -11.802 10.540 -1.882 1.00 0.00 H new ATOM 0 HE1 MET A 2 -7.966 12.214 -3.935 1.00 0.00 H new ATOM 0 HE2 MET A 2 -9.549 13.008 -4.107 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.747 12.956 -2.519 1.00 0.00 H new ATOM 35 N LEU A 3 -15.353 12.993 -4.167 1.00 0.00 N ATOM 36 CA LEU A 3 -16.508 13.762 -4.682 1.00 0.00 C ATOM 37 C LEU A 3 -17.700 12.928 -5.181 1.00 0.00 C ATOM 38 O LEU A 3 -18.823 13.429 -5.270 1.00 0.00 O ATOM 39 CB LEU A 3 -16.014 14.766 -5.752 1.00 0.00 C ATOM 40 CG LEU A 3 -17.030 15.829 -6.219 1.00 0.00 C ATOM 41 CD1 LEU A 3 -17.582 16.670 -5.064 1.00 0.00 C ATOM 42 CD2 LEU A 3 -16.357 16.782 -7.209 1.00 0.00 C ATOM 0 H LEU A 3 -15.287 12.056 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 3 -16.924 14.292 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.138 15.281 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.686 14.201 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.857 15.288 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.291 17.401 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -18.086 16.020 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.762 17.189 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.076 17.532 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.514 17.275 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.000 16.219 -8.071 1.00 0.00 H new ATOM 54 N GLY A 4 -17.482 11.643 -5.423 1.00 0.00 N ATOM 55 CA GLY A 4 -18.509 10.625 -5.599 1.00 0.00 C ATOM 56 C GLY A 4 -18.553 10.038 -7.024 1.00 0.00 C ATOM 57 O GLY A 4 -18.125 10.712 -7.969 1.00 0.00 O ATOM 0 H GLY A 4 -16.539 11.264 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.336 9.818 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.482 11.056 -5.362 1.00 0.00 H new ATOM 61 N PRO A 5 -19.100 8.820 -7.232 1.00 0.00 N ATOM 62 CA PRO A 5 -19.493 7.816 -6.231 1.00 0.00 C ATOM 63 C PRO A 5 -18.329 6.884 -5.806 1.00 0.00 C ATOM 64 O PRO A 5 -18.551 5.890 -5.112 1.00 0.00 O ATOM 65 CB PRO A 5 -20.593 7.019 -6.942 1.00 0.00 C ATOM 66 CG PRO A 5 -20.077 6.953 -8.379 1.00 0.00 C ATOM 67 CD PRO A 5 -19.424 8.324 -8.568 1.00 0.00 C ATOM 0 HA PRO A 5 -19.814 8.285 -5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -20.719 6.026 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -21.560 7.518 -6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.362 6.142 -8.515 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -20.885 6.788 -9.092 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -18.526 8.244 -9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -20.100 9.008 -9.082 1.00 0.00 H new ATOM 75 N GLU A 6 -17.102 7.167 -6.260 1.00 0.00 N ATOM 76 CA GLU A 6 -15.864 6.398 -6.024 1.00 0.00 C ATOM 77 C GLU A 6 -15.553 6.049 -4.550 1.00 0.00 C ATOM 78 O GLU A 6 -16.065 6.683 -3.625 1.00 0.00 O ATOM 79 CB GLU A 6 -14.675 7.137 -6.685 1.00 0.00 C ATOM 80 CG GLU A 6 -14.603 8.670 -6.511 1.00 0.00 C ATOM 81 CD GLU A 6 -14.549 9.160 -5.057 1.00 0.00 C ATOM 82 OE1 GLU A 6 -13.741 8.643 -4.253 1.00 0.00 O ATOM 83 OE2 GLU A 6 -15.284 10.108 -4.700 1.00 0.00 O ATOM 0 H GLU A 6 -16.932 7.990 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.029 5.424 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.753 6.710 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.696 6.920 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.721 9.038 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.471 9.116 -6.996 1.00 0.00 H new ATOM 90 N GLY A 7 -14.653 5.077 -4.335 1.00 0.00 N ATOM 91 CA GLY A 7 -14.016 4.767 -3.046 1.00 0.00 C ATOM 92 C GLY A 7 -14.979 4.500 -1.878 1.00 0.00 C ATOM 93 O GLY A 7 -15.134 5.354 -1.006 1.00 0.00 O ATOM 0 H GLY A 7 -14.337 4.461 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.380 3.892 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.364 5.597 -2.774 1.00 0.00 H new ATOM 97 N GLY A 8 -15.664 3.360 -1.808 1.00 0.00 N ATOM 98 CA GLY A 8 -15.560 2.185 -2.682 1.00 0.00 C ATOM 99 C GLY A 8 -16.390 1.005 -2.152 1.00 0.00 C ATOM 100 O GLY A 8 -17.081 1.121 -1.137 1.00 0.00 O ATOM 0 H GLY A 8 -16.364 3.219 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.899 2.446 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.515 1.886 -2.766 1.00 0.00 H new ATOM 104 N GLU A 9 -16.313 -0.146 -2.823 1.00 0.00 N ATOM 105 CA GLU A 9 -16.894 -1.424 -2.365 1.00 0.00 C ATOM 106 C GLU A 9 -15.938 -2.203 -1.431 1.00 0.00 C ATOM 107 O GLU A 9 -16.386 -2.974 -0.578 1.00 0.00 O ATOM 108 CB GLU A 9 -17.379 -2.284 -3.556 1.00 0.00 C ATOM 109 CG GLU A 9 -16.783 -1.999 -4.946 1.00 0.00 C ATOM 110 CD GLU A 9 -15.295 -2.351 -5.044 1.00 0.00 C ATOM 111 OE1 GLU A 9 -14.456 -1.677 -4.399 1.00 0.00 O ATOM 112 OE2 GLU A 9 -14.962 -3.299 -5.792 1.00 0.00 O ATOM 0 H GLU A 9 -15.836 -0.224 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.772 -1.180 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.180 -3.328 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.461 -2.174 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.335 -2.567 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.917 -0.944 -5.183 1.00 0.00 H new ATOM 119 N GLY A 10 -14.636 -1.918 -1.515 1.00 0.00 N ATOM 120 CA GLY A 10 -13.623 -2.166 -0.486 1.00 0.00 C ATOM 121 C GLY A 10 -12.537 -1.083 -0.527 1.00 0.00 C ATOM 122 O GLY A 10 -12.291 -0.484 -1.576 1.00 0.00 O ATOM 0 H GLY A 10 -14.239 -1.484 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.092 -2.182 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.173 -3.147 -0.640 1.00 0.00 H new ATOM 126 N PHE A 11 -11.881 -0.818 0.605 1.00 0.00 N ATOM 127 CA PHE A 11 -10.907 0.279 0.775 1.00 0.00 C ATOM 128 C PHE A 11 -9.524 -0.040 0.226 1.00 0.00 C ATOM 129 O PHE A 11 -8.504 0.180 0.878 1.00 0.00 O ATOM 130 CB PHE A 11 -10.822 0.676 2.250 1.00 0.00 C ATOM 131 CG PHE A 11 -12.169 1.050 2.816 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.911 2.037 2.149 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.698 0.418 3.954 1.00 0.00 C ATOM 134 CE1 PHE A 11 -14.157 2.438 2.644 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.960 0.808 4.442 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.684 1.828 3.796 1.00 0.00 C ATOM 0 H PHE A 11 -12.011 -1.370 1.453 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.276 1.117 0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.405 -0.152 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.137 1.517 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.519 2.489 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.140 -0.362 4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.713 3.215 2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.374 0.323 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.642 2.141 4.184 1.00 0.00 H new ATOM 146 N VAL A 12 -9.479 -0.638 -0.954 1.00 0.00 N ATOM 147 CA VAL A 12 -8.198 -1.038 -1.524 1.00 0.00 C ATOM 148 C VAL A 12 -7.376 0.196 -1.876 1.00 0.00 C ATOM 149 O VAL A 12 -7.865 1.158 -2.472 1.00 0.00 O ATOM 150 CB VAL A 12 -8.299 -2.023 -2.695 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.896 -2.532 -3.072 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.118 -3.245 -2.269 1.00 0.00 C ATOM 0 H VAL A 12 -10.295 -0.855 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.679 -1.604 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.766 -1.510 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.974 -3.231 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.269 -1.689 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.450 -3.036 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.189 -3.944 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.630 -3.734 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.119 -2.928 -1.975 1.00 0.00 H new ATOM 162 N VAL A 13 -6.087 0.107 -1.579 1.00 0.00 N ATOM 163 CA VAL A 13 -5.050 0.852 -2.270 1.00 0.00 C ATOM 164 C VAL A 13 -4.110 -0.107 -2.971 1.00 0.00 C ATOM 165 O VAL A 13 -3.682 -1.107 -2.405 1.00 0.00 O ATOM 166 CB VAL A 13 -4.273 1.781 -1.334 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.214 2.871 -0.833 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.581 1.107 -0.146 1.00 0.00 C ATOM 0 H VAL A 13 -5.729 -0.496 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.539 1.489 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.456 2.184 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.672 3.540 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.598 3.438 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.045 2.415 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.062 1.860 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.326 0.607 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.862 0.374 -0.512 1.00 0.00 H new ATOM 178 N LYS A 14 -3.801 0.187 -4.225 1.00 0.00 N ATOM 179 CA LYS A 14 -2.720 -0.458 -4.959 1.00 0.00 C ATOM 180 C LYS A 14 -1.425 0.207 -4.519 1.00 0.00 C ATOM 181 O LYS A 14 -1.400 1.413 -4.278 1.00 0.00 O ATOM 182 CB LYS A 14 -2.945 -0.180 -6.441 1.00 0.00 C ATOM 183 CG LYS A 14 -1.744 -0.494 -7.351 1.00 0.00 C ATOM 184 CD LYS A 14 -2.037 -0.236 -8.831 1.00 0.00 C ATOM 185 CE LYS A 14 -0.859 -0.642 -9.730 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.552 -2.096 -9.651 1.00 0.00 N ATOM 0 H LYS A 14 -4.300 0.890 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.682 -1.532 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.801 -0.765 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.209 0.871 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.892 0.113 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.457 -1.537 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.927 -0.792 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.258 0.821 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.088 -0.378 -10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.025 -0.072 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.118 -2.351 -10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.130 -2.312 -8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.429 -2.643 -9.767 1.00 0.00 H new ATOM 200 N LEU A 15 -0.336 -0.541 -4.528 1.00 0.00 N ATOM 201 CA LEU A 15 1.013 -0.040 -4.355 1.00 0.00 C ATOM 202 C LEU A 15 1.866 -0.495 -5.525 1.00 0.00 C ATOM 203 O LEU A 15 1.772 -1.643 -5.965 1.00 0.00 O ATOM 204 CB LEU A 15 1.570 -0.524 -3.010 1.00 0.00 C ATOM 205 CG LEU A 15 0.666 -0.089 -1.861 1.00 0.00 C ATOM 206 CD1 LEU A 15 -0.191 -1.213 -1.290 1.00 0.00 C ATOM 207 CD2 LEU A 15 1.407 0.635 -0.773 1.00 0.00 C ATOM 0 H LEU A 15 -0.370 -1.552 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 15 1.019 1.050 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.658 -1.610 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.573 -0.124 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.023 0.622 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.806 -0.825 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.835 -1.613 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.454 -2.005 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.710 0.919 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.176 -0.018 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.873 1.530 -1.184 1.00 0.00 H new ATOM 219 N ARG A 16 2.712 0.405 -6.015 1.00 0.00 N ATOM 220 CA ARG A 16 3.660 0.116 -7.098 1.00 0.00 C ATOM 221 C ARG A 16 5.000 0.808 -6.891 1.00 0.00 C ATOM 222 O ARG A 16 5.058 1.986 -6.566 1.00 0.00 O ATOM 223 CB ARG A 16 3.018 0.493 -8.442 1.00 0.00 C ATOM 224 CG ARG A 16 3.910 0.118 -9.639 1.00 0.00 C ATOM 225 CD ARG A 16 4.668 1.296 -10.262 1.00 0.00 C ATOM 226 NE ARG A 16 3.787 2.371 -10.755 1.00 0.00 N ATOM 227 CZ ARG A 16 3.050 2.398 -11.848 1.00 0.00 C ATOM 228 NH1 ARG A 16 2.960 1.400 -12.682 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.382 3.481 -12.100 1.00 0.00 N ATOM 0 H ARG A 16 2.764 1.364 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 16 3.878 -0.952 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.056 -0.010 -8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.820 1.565 -8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.632 -0.632 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.290 -0.345 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.352 1.710 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.277 0.929 -11.088 1.00 0.00 H new ATOM 0 HE ARG A 16 3.742 3.206 -10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.477 0.539 -12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.373 1.480 -13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.438 4.275 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.801 3.539 -12.936 1.00 0.00 H new ATOM 243 N GLY A 17 6.078 0.064 -7.096 1.00 0.00 N ATOM 244 CA GLY A 17 7.456 0.537 -7.009 1.00 0.00 C ATOM 245 C GLY A 17 8.335 -0.315 -6.081 1.00 0.00 C ATOM 246 O GLY A 17 9.550 -0.391 -6.273 1.00 0.00 O ATOM 0 H GLY A 17 6.016 -0.925 -7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.894 0.544 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.457 1.567 -6.654 1.00 0.00 H new ATOM 250 N LEU A 18 7.698 -0.937 -5.079 1.00 0.00 N ATOM 251 CA LEU A 18 8.272 -1.741 -3.992 1.00 0.00 C ATOM 252 C LEU A 18 9.396 -2.716 -4.425 1.00 0.00 C ATOM 253 O LEU A 18 9.419 -3.160 -5.577 1.00 0.00 O ATOM 254 CB LEU A 18 7.172 -2.507 -3.200 1.00 0.00 C ATOM 255 CG LEU A 18 5.724 -2.591 -3.737 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.058 -3.824 -3.139 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.806 -1.398 -3.421 1.00 0.00 C ATOM 0 H LEU A 18 6.682 -0.886 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 18 8.747 -1.008 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.525 -3.530 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.120 -2.058 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 18 5.836 -2.615 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.035 -3.899 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.615 -4.715 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.047 -3.741 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.819 -1.574 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.717 -1.284 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.230 -0.489 -3.848 1.00 0.00 H new ATOM 269 N PRO A 19 10.303 -3.109 -3.504 1.00 0.00 N ATOM 270 CA PRO A 19 11.310 -4.146 -3.759 1.00 0.00 C ATOM 271 C PRO A 19 10.694 -5.466 -4.252 1.00 0.00 C ATOM 272 O PRO A 19 9.552 -5.786 -3.921 1.00 0.00 O ATOM 273 CB PRO A 19 12.037 -4.363 -2.426 1.00 0.00 C ATOM 274 CG PRO A 19 11.731 -3.110 -1.610 1.00 0.00 C ATOM 275 CD PRO A 19 10.354 -2.689 -2.110 1.00 0.00 C ATOM 0 HA PRO A 19 11.984 -3.824 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.680 -5.261 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.110 -4.486 -2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.723 -3.319 -0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.474 -2.331 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.563 -3.162 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.216 -1.612 -2.019 1.00 0.00 H new ATOM 283 N TRP A 20 11.474 -6.290 -4.963 1.00 0.00 N ATOM 284 CA TRP A 20 11.026 -7.589 -5.507 1.00 0.00 C ATOM 285 C TRP A 20 10.762 -8.688 -4.446 1.00 0.00 C ATOM 286 O TRP A 20 10.542 -9.851 -4.786 1.00 0.00 O ATOM 287 CB TRP A 20 11.999 -8.091 -6.573 1.00 0.00 C ATOM 288 CG TRP A 20 12.548 -7.052 -7.501 1.00 0.00 C ATOM 289 CD1 TRP A 20 13.851 -6.733 -7.546 1.00 0.00 C ATOM 290 CD2 TRP A 20 11.889 -6.165 -8.462 1.00 0.00 C ATOM 291 NE1 TRP A 20 14.076 -5.770 -8.509 1.00 0.00 N ATOM 292 CE2 TRP A 20 12.895 -5.378 -9.103 1.00 0.00 C ATOM 293 CE3 TRP A 20 10.552 -5.926 -8.846 1.00 0.00 C ATOM 294 CZ2 TRP A 20 12.596 -4.423 -10.087 1.00 0.00 C ATOM 295 CZ3 TRP A 20 10.236 -4.951 -9.816 1.00 0.00 C ATOM 296 CH2 TRP A 20 11.254 -4.206 -10.440 1.00 0.00 C ATOM 0 H TRP A 20 12.447 -6.075 -5.182 1.00 0.00 H new ATOM 0 HA TRP A 20 10.053 -7.389 -5.956 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.834 -8.581 -6.073 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.494 -8.851 -7.169 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.615 -7.168 -6.918 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.995 -5.398 -8.749 1.00 0.00 H new ATOM 0 HE3 TRP A 20 9.758 -6.499 -8.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.386 -3.863 -10.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.204 -4.775 -10.082 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.004 -3.469 -11.189 1.00 0.00 H new ATOM 307 N SER A 21 10.836 -8.338 -3.159 1.00 0.00 N ATOM 308 CA SER A 21 10.682 -9.217 -1.990 1.00 0.00 C ATOM 309 C SER A 21 10.026 -8.490 -0.802 1.00 0.00 C ATOM 310 O SER A 21 10.237 -8.849 0.358 1.00 0.00 O ATOM 311 CB SER A 21 12.051 -9.807 -1.618 1.00 0.00 C ATOM 312 OG SER A 21 12.983 -8.796 -1.264 1.00 0.00 O ATOM 0 H SER A 21 11.016 -7.372 -2.885 1.00 0.00 H new ATOM 0 HA SER A 21 10.006 -10.031 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.934 -10.501 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.440 -10.381 -2.459 1.00 0.00 H new ATOM 0 HG SER A 21 13.841 -9.209 -1.032 1.00 0.00 H new ATOM 318 N CYS A 22 9.250 -7.437 -1.079 1.00 0.00 N ATOM 319 CA CYS A 22 8.454 -6.684 -0.105 1.00 0.00 C ATOM 320 C CYS A 22 7.464 -7.600 0.656 1.00 0.00 C ATOM 321 O CYS A 22 7.133 -8.696 0.192 1.00 0.00 O ATOM 322 CB CYS A 22 7.744 -5.566 -0.884 1.00 0.00 C ATOM 323 SG CYS A 22 7.133 -4.256 0.215 1.00 0.00 S ATOM 0 H CYS A 22 9.156 -7.071 -2.027 1.00 0.00 H new ATOM 0 HA CYS A 22 9.090 -6.254 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.433 -5.137 -1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.910 -5.988 -1.445 1.00 0.00 H new ATOM 0 HG CYS A 22 8.051 -3.957 1.086 1.00 0.00 H new ATOM 329 N SER A 23 6.955 -7.165 1.812 1.00 0.00 N ATOM 330 CA SER A 23 5.975 -7.931 2.600 1.00 0.00 C ATOM 331 C SER A 23 5.015 -7.061 3.393 1.00 0.00 C ATOM 332 O SER A 23 5.198 -5.866 3.592 1.00 0.00 O ATOM 333 CB SER A 23 6.639 -8.887 3.607 1.00 0.00 C ATOM 334 OG SER A 23 7.400 -8.184 4.578 1.00 0.00 O ATOM 0 H SER A 23 7.209 -6.271 2.232 1.00 0.00 H new ATOM 0 HA SER A 23 5.425 -8.489 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.872 -9.480 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.285 -9.585 3.074 1.00 0.00 H new ATOM 0 HG SER A 23 7.209 -8.546 5.468 1.00 0.00 H new ATOM 340 N VAL A 24 3.994 -7.712 3.924 1.00 0.00 N ATOM 341 CA VAL A 24 3.100 -7.271 4.967 1.00 0.00 C ATOM 342 C VAL A 24 3.703 -6.522 6.160 1.00 0.00 C ATOM 343 O VAL A 24 3.047 -5.641 6.709 1.00 0.00 O ATOM 344 CB VAL A 24 2.344 -8.506 5.451 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.142 -8.000 6.183 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.855 -9.379 4.291 1.00 0.00 C ATOM 0 H VAL A 24 3.753 -8.649 3.602 1.00 0.00 H new ATOM 0 HA VAL A 24 2.468 -6.508 4.512 1.00 0.00 H new ATOM 0 HB VAL A 24 3.006 -9.115 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.560 -8.844 6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.461 -7.382 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.528 -7.405 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.323 -10.245 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.184 -8.799 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.709 -9.715 3.703 1.00 0.00 H new ATOM 356 N GLU A 25 4.934 -6.794 6.581 1.00 0.00 N ATOM 357 CA GLU A 25 5.560 -6.021 7.660 1.00 0.00 C ATOM 358 C GLU A 25 6.107 -4.692 7.124 1.00 0.00 C ATOM 359 O GLU A 25 6.210 -3.703 7.843 1.00 0.00 O ATOM 360 CB GLU A 25 6.703 -6.839 8.260 1.00 0.00 C ATOM 361 CG GLU A 25 6.229 -8.132 8.939 1.00 0.00 C ATOM 362 CD GLU A 25 5.971 -9.307 7.968 1.00 0.00 C ATOM 363 OE1 GLU A 25 6.696 -9.451 6.954 1.00 0.00 O ATOM 364 OE2 GLU A 25 5.044 -10.112 8.228 1.00 0.00 O ATOM 0 H GLU A 25 5.518 -7.537 6.198 1.00 0.00 H new ATOM 0 HA GLU A 25 4.812 -5.805 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.414 -7.089 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.235 -6.228 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.977 -8.439 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.312 -7.923 9.489 1.00 0.00 H new ATOM 371 N ASP A 26 6.407 -4.668 5.831 1.00 0.00 N ATOM 372 CA ASP A 26 6.970 -3.560 5.073 1.00 0.00 C ATOM 373 C ASP A 26 5.908 -2.594 4.529 1.00 0.00 C ATOM 374 O ASP A 26 6.192 -1.424 4.276 1.00 0.00 O ATOM 375 CB ASP A 26 7.715 -4.165 3.884 1.00 0.00 C ATOM 376 CG ASP A 26 8.957 -3.358 3.460 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.355 -2.405 4.176 1.00 0.00 O ATOM 378 OD2 ASP A 26 9.548 -3.707 2.412 1.00 0.00 O ATOM 0 H ASP A 26 6.251 -5.486 5.241 1.00 0.00 H new ATOM 0 HA ASP A 26 7.613 -2.985 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.020 -5.181 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.033 -4.238 3.037 1.00 0.00 H new ATOM 383 N VAL A 27 4.667 -3.071 4.381 1.00 0.00 N ATOM 384 CA VAL A 27 3.529 -2.299 3.845 1.00 0.00 C ATOM 385 C VAL A 27 2.924 -1.538 5.016 1.00 0.00 C ATOM 386 O VAL A 27 2.616 -0.354 4.935 1.00 0.00 O ATOM 387 CB VAL A 27 2.505 -3.240 3.159 1.00 0.00 C ATOM 388 CG1 VAL A 27 1.691 -4.085 4.109 1.00 0.00 C ATOM 389 CG2 VAL A 27 1.579 -2.549 2.174 1.00 0.00 C ATOM 0 H VAL A 27 4.415 -4.026 4.635 1.00 0.00 H new ATOM 0 HA VAL A 27 3.849 -1.597 3.075 1.00 0.00 H new ATOM 0 HB VAL A 27 3.156 -3.909 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.003 -4.711 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.357 -4.718 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.125 -3.437 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.897 -3.281 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.006 -1.780 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.169 -2.090 1.381 1.00 0.00 H new ATOM 399 N GLN A 28 2.892 -2.220 6.158 1.00 0.00 N ATOM 400 CA GLN A 28 2.575 -1.720 7.477 1.00 0.00 C ATOM 401 C GLN A 28 3.696 -0.864 8.118 1.00 0.00 C ATOM 402 O GLN A 28 3.399 -0.009 8.948 1.00 0.00 O ATOM 403 CB GLN A 28 2.306 -2.994 8.264 1.00 0.00 C ATOM 404 CG GLN A 28 0.944 -3.653 7.955 1.00 0.00 C ATOM 405 CD GLN A 28 0.604 -4.615 9.077 1.00 0.00 C ATOM 406 OE1 GLN A 28 -0.149 -4.340 10.003 1.00 0.00 O ATOM 407 NE2 GLN A 28 1.227 -5.763 9.033 1.00 0.00 N ATOM 0 H GLN A 28 3.106 -3.217 6.177 1.00 0.00 H new ATOM 0 HA GLN A 28 1.734 -1.027 7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.100 -3.711 8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.354 -2.767 9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.169 -2.892 7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.988 -4.183 7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.850 -5.975 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.090 -6.447 9.777 1.00 0.00 H new ATOM 416 N ASN A 29 4.966 -1.024 7.717 1.00 0.00 N ATOM 417 CA ASN A 29 6.059 -0.059 7.957 1.00 0.00 C ATOM 418 C ASN A 29 5.858 1.206 7.115 1.00 0.00 C ATOM 419 O ASN A 29 5.846 2.315 7.653 1.00 0.00 O ATOM 420 CB ASN A 29 7.399 -0.741 7.602 1.00 0.00 C ATOM 421 CG ASN A 29 8.528 0.198 7.182 1.00 0.00 C ATOM 422 OD1 ASN A 29 8.857 1.158 7.864 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.136 -0.027 6.036 1.00 0.00 N ATOM 0 H ASN A 29 5.274 -1.849 7.203 1.00 0.00 H new ATOM 0 HA ASN A 29 6.063 0.241 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.732 -1.317 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.222 -1.451 6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.878 0.598 5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.865 -0.827 5.463 1.00 0.00 H new ATOM 430 N PHE A 30 5.644 1.040 5.804 1.00 0.00 N ATOM 431 CA PHE A 30 5.349 2.131 4.888 1.00 0.00 C ATOM 432 C PHE A 30 4.138 2.950 5.343 1.00 0.00 C ATOM 433 O PHE A 30 4.113 4.174 5.196 1.00 0.00 O ATOM 434 CB PHE A 30 5.193 1.536 3.487 1.00 0.00 C ATOM 435 CG PHE A 30 4.820 2.568 2.464 1.00 0.00 C ATOM 436 CD1 PHE A 30 5.722 3.596 2.167 1.00 0.00 C ATOM 437 CD2 PHE A 30 3.557 2.541 1.862 1.00 0.00 C ATOM 438 CE1 PHE A 30 5.370 4.591 1.248 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.180 3.570 0.988 1.00 0.00 C ATOM 440 CZ PHE A 30 4.094 4.585 0.660 1.00 0.00 C ATOM 0 H PHE A 30 5.673 0.127 5.350 1.00 0.00 H new ATOM 0 HA PHE A 30 6.169 2.849 4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.127 1.058 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.430 0.758 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.689 3.621 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.875 1.730 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.079 5.364 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.186 3.582 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.817 5.358 -0.042 1.00 0.00 H new ATOM 450 N LEU A 31 3.176 2.277 5.978 1.00 0.00 N ATOM 451 CA LEU A 31 1.909 2.844 6.445 1.00 0.00 C ATOM 452 C LEU A 31 1.671 2.613 7.931 1.00 0.00 C ATOM 453 O LEU A 31 0.570 2.334 8.402 1.00 0.00 O ATOM 454 CB LEU A 31 0.793 2.379 5.555 1.00 0.00 C ATOM 455 CG LEU A 31 1.004 3.087 4.214 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.434 2.147 3.224 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.373 4.461 4.141 1.00 0.00 C ATOM 0 H LEU A 31 3.262 1.283 6.189 1.00 0.00 H new ATOM 0 HA LEU A 31 1.953 3.930 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.816 1.296 5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.178 2.631 5.982 1.00 0.00 H new ATOM 0 HG LEU A 31 2.058 3.300 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.537 2.566 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.966 1.197 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.621 1.985 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.566 4.898 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.703 4.376 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.801 5.099 4.914 1.00 0.00 H new ATOM 469 N SER A 32 2.745 2.843 8.667 1.00 0.00 N ATOM 470 CA SER A 32 2.713 3.152 10.102 1.00 0.00 C ATOM 471 C SER A 32 1.873 4.422 10.402 1.00 0.00 C ATOM 472 O SER A 32 1.448 4.649 11.534 1.00 0.00 O ATOM 473 CB SER A 32 4.147 3.201 10.633 1.00 0.00 C ATOM 474 OG SER A 32 4.206 3.403 12.036 1.00 0.00 O ATOM 0 H SER A 32 3.689 2.822 8.282 1.00 0.00 H new ATOM 0 HA SER A 32 2.196 2.360 10.643 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.654 2.269 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.688 4.003 10.132 1.00 0.00 H new ATOM 0 HG SER A 32 5.142 3.425 12.324 1.00 0.00 H new ATOM 480 N ASP A 33 1.543 5.207 9.367 1.00 0.00 N ATOM 481 CA ASP A 33 0.478 6.221 9.321 1.00 0.00 C ATOM 482 C ASP A 33 -0.951 5.699 9.588 1.00 0.00 C ATOM 483 O ASP A 33 -1.839 6.497 9.894 1.00 0.00 O ATOM 484 CB ASP A 33 0.475 6.842 7.909 1.00 0.00 C ATOM 485 CG ASP A 33 1.591 7.870 7.722 1.00 0.00 C ATOM 486 OD1 ASP A 33 2.707 7.487 7.295 1.00 0.00 O ATOM 487 OD2 ASP A 33 1.321 9.066 7.989 1.00 0.00 O ATOM 0 H ASP A 33 2.045 5.147 8.481 1.00 0.00 H new ATOM 0 HA ASP A 33 0.707 6.924 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.585 6.051 7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.488 7.318 7.727 1.00 0.00 H new ATOM 492 N CYS A 34 -1.212 4.399 9.404 1.00 0.00 N ATOM 493 CA CYS A 34 -2.478 3.940 8.824 1.00 0.00 C ATOM 494 C CYS A 34 -3.093 2.704 9.507 1.00 0.00 C ATOM 495 O CYS A 34 -2.397 1.916 10.155 1.00 0.00 O ATOM 496 CB CYS A 34 -2.174 3.635 7.348 1.00 0.00 C ATOM 497 SG CYS A 34 -3.603 4.020 6.334 1.00 0.00 S ATOM 0 H CYS A 34 -0.565 3.649 9.648 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.228 4.719 8.961 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.315 4.219 7.017 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.909 2.584 7.233 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.334 3.761 5.089 1.00 0.00 H new ATOM 503 N THR A 35 -4.397 2.499 9.296 1.00 0.00 N ATOM 504 CA THR A 35 -5.141 1.291 9.692 1.00 0.00 C ATOM 505 C THR A 35 -5.457 0.459 8.456 1.00 0.00 C ATOM 506 O THR A 35 -6.068 0.943 7.505 1.00 0.00 O ATOM 507 CB THR A 35 -6.495 1.592 10.374 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.469 2.790 11.122 1.00 0.00 O ATOM 509 CG2 THR A 35 -6.941 0.467 11.306 1.00 0.00 C ATOM 0 H THR A 35 -4.986 3.189 8.830 1.00 0.00 H new ATOM 0 HA THR A 35 -4.498 0.770 10.402 1.00 0.00 H new ATOM 0 HB THR A 35 -7.204 1.690 9.552 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.487 3.557 10.512 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.897 0.728 11.760 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.049 -0.456 10.736 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.195 0.325 12.088 1.00 0.00 H new ATOM 517 N ILE A 36 -5.111 -0.821 8.488 1.00 0.00 N ATOM 518 CA ILE A 36 -5.553 -1.813 7.500 1.00 0.00 C ATOM 519 C ILE A 36 -6.765 -2.564 8.077 1.00 0.00 C ATOM 520 O ILE A 36 -6.956 -2.615 9.292 1.00 0.00 O ATOM 521 CB ILE A 36 -4.414 -2.841 7.240 1.00 0.00 C ATOM 522 CG1 ILE A 36 -2.946 -2.351 7.309 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.622 -3.621 5.934 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.473 -1.283 6.317 1.00 0.00 C ATOM 0 H ILE A 36 -4.506 -1.212 9.210 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.812 -1.312 6.567 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.524 -3.483 8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.774 -1.966 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.302 -3.222 7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.802 -4.326 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.565 -4.166 5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.647 -2.926 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.423 -1.054 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.590 -1.655 5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.069 -0.379 6.444 1.00 0.00 H new ATOM 536 N HIS A 37 -7.559 -3.211 7.227 1.00 0.00 N ATOM 537 CA HIS A 37 -8.692 -4.061 7.614 1.00 0.00 C ATOM 538 C HIS A 37 -8.234 -5.466 8.096 1.00 0.00 C ATOM 539 O HIS A 37 -8.672 -6.499 7.592 1.00 0.00 O ATOM 540 CB HIS A 37 -9.673 -4.021 6.435 1.00 0.00 C ATOM 541 CG HIS A 37 -10.868 -4.930 6.469 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.469 -5.516 5.377 1.00 0.00 N ATOM 543 CD2 HIS A 37 -11.665 -5.183 7.555 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.589 -6.112 5.799 1.00 0.00 C ATOM 545 NE2 HIS A 37 -12.757 -5.946 7.124 1.00 0.00 N ATOM 0 H HIS A 37 -7.431 -3.159 6.216 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.215 -3.695 8.498 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.037 -2.998 6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.111 -4.245 5.528 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -11.122 -5.498 4.418 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.483 -4.852 8.567 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.270 -6.655 5.160 1.00 0.00 H new ATOM 553 N ASP A 38 -7.308 -5.464 9.068 1.00 0.00 N ATOM 554 CA ASP A 38 -6.716 -6.539 9.888 1.00 0.00 C ATOM 555 C ASP A 38 -5.245 -6.201 10.168 1.00 0.00 C ATOM 556 O ASP A 38 -4.836 -6.039 11.319 1.00 0.00 O ATOM 557 CB ASP A 38 -6.819 -7.946 9.274 1.00 0.00 C ATOM 558 CG ASP A 38 -5.934 -8.949 10.034 1.00 0.00 C ATOM 559 OD1 ASP A 38 -6.384 -9.504 11.064 1.00 0.00 O ATOM 560 OD2 ASP A 38 -4.780 -9.157 9.589 1.00 0.00 O ATOM 0 H ASP A 38 -6.894 -4.572 9.338 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.300 -6.580 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.856 -8.281 9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.518 -7.912 8.227 1.00 0.00 H new ATOM 565 N GLY A 39 -4.469 -6.084 9.088 1.00 0.00 N ATOM 566 CA GLY A 39 -3.026 -5.850 9.108 1.00 0.00 C ATOM 567 C GLY A 39 -2.261 -6.681 8.082 1.00 0.00 C ATOM 568 O GLY A 39 -1.384 -6.167 7.393 1.00 0.00 O ATOM 0 H GLY A 39 -4.844 -6.152 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.835 -4.793 8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.643 -6.074 10.104 1.00 0.00 H new ATOM 572 N ALA A 40 -2.675 -7.933 7.908 1.00 0.00 N ATOM 573 CA ALA A 40 -2.152 -8.877 6.918 1.00 0.00 C ATOM 574 C ALA A 40 -3.289 -9.584 6.171 1.00 0.00 C ATOM 575 O ALA A 40 -3.162 -9.886 4.986 1.00 0.00 O ATOM 576 CB ALA A 40 -1.330 -9.923 7.689 1.00 0.00 C ATOM 0 H ALA A 40 -3.418 -8.338 8.478 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.549 -8.346 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.919 -10.651 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.516 -9.428 8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.972 -10.433 8.407 1.00 0.00 H new ATOM 582 N ALA A 41 -4.440 -9.758 6.822 1.00 0.00 N ATOM 583 CA ALA A 41 -5.641 -10.330 6.206 1.00 0.00 C ATOM 584 C ALA A 41 -6.423 -9.289 5.370 1.00 0.00 C ATOM 585 O ALA A 41 -7.601 -9.493 5.061 1.00 0.00 O ATOM 586 CB ALA A 41 -6.494 -11.012 7.285 1.00 0.00 C ATOM 0 H ALA A 41 -4.567 -9.504 7.802 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.343 -11.093 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.387 -11.438 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.916 -11.805 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.786 -10.278 8.036 1.00 0.00 H new ATOM 592 N GLY A 42 -5.773 -8.175 4.997 1.00 0.00 N ATOM 593 CA GLY A 42 -6.303 -7.162 4.096 1.00 0.00 C ATOM 594 C GLY A 42 -5.262 -6.777 3.050 1.00 0.00 C ATOM 595 O GLY A 42 -5.553 -5.992 2.167 1.00 0.00 O ATOM 0 H GLY A 42 -4.834 -7.956 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.199 -7.539 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.598 -6.280 4.665 1.00 0.00 H new ATOM 599 N VAL A 43 -4.051 -7.329 3.094 1.00 0.00 N ATOM 600 CA VAL A 43 -2.960 -7.038 2.202 1.00 0.00 C ATOM 601 C VAL A 43 -2.742 -8.203 1.240 1.00 0.00 C ATOM 602 O VAL A 43 -3.014 -9.366 1.555 1.00 0.00 O ATOM 603 CB VAL A 43 -1.714 -6.732 3.039 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.868 -5.792 4.231 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.798 -7.867 3.342 1.00 0.00 C ATOM 0 H VAL A 43 -3.804 -8.027 3.795 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.186 -6.164 1.590 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.199 -6.137 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.904 -5.671 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.223 -4.821 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.587 -6.212 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.040 -7.509 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.339 -8.633 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.424 -8.291 2.410 1.00 0.00 H new ATOM 615 N HIS A 44 -2.196 -7.886 0.074 1.00 0.00 N ATOM 616 CA HIS A 44 -1.910 -8.826 -0.993 1.00 0.00 C ATOM 617 C HIS A 44 -0.698 -8.323 -1.771 1.00 0.00 C ATOM 618 O HIS A 44 -0.509 -7.117 -1.939 1.00 0.00 O ATOM 619 CB HIS A 44 -3.108 -8.930 -1.949 1.00 0.00 C ATOM 620 CG HIS A 44 -4.472 -8.731 -1.341 1.00 0.00 C ATOM 621 ND1 HIS A 44 -5.024 -7.505 -1.074 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.385 -9.680 -0.968 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.235 -7.698 -0.545 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.511 -9.014 -0.458 1.00 0.00 N ATOM 0 H HIS A 44 -1.931 -6.929 -0.160 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.713 -9.809 -0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.977 -8.193 -2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.084 -9.913 -2.420 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.585 -6.601 -1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.261 -10.750 -1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.901 -6.908 -0.230 1.00 0.00 H new ATOM 632 N PHE A 45 0.092 -9.246 -2.300 1.00 0.00 N ATOM 633 CA PHE A 45 1.303 -8.944 -3.053 1.00 0.00 C ATOM 634 C PHE A 45 1.192 -9.590 -4.433 1.00 0.00 C ATOM 635 O PHE A 45 0.650 -10.687 -4.570 1.00 0.00 O ATOM 636 CB PHE A 45 2.516 -9.393 -2.228 1.00 0.00 C ATOM 637 CG PHE A 45 2.834 -8.410 -1.111 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.086 -8.383 0.090 1.00 0.00 C ATOM 639 CD2 PHE A 45 3.830 -7.438 -1.327 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.309 -7.364 1.027 1.00 0.00 C ATOM 641 CE2 PHE A 45 4.077 -6.449 -0.363 1.00 0.00 C ATOM 642 CZ PHE A 45 3.313 -6.416 0.812 1.00 0.00 C ATOM 0 H PHE A 45 -0.093 -10.246 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 45 1.434 -7.876 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.322 -10.377 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.383 -9.494 -2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.346 -9.145 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.407 -7.454 -2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.702 -7.312 1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.853 -5.716 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.501 -5.655 1.554 1.00 0.00 H new ATOM 652 N ILE A 46 1.616 -8.870 -5.470 1.00 0.00 N ATOM 653 CA ILE A 46 1.428 -9.287 -6.865 1.00 0.00 C ATOM 654 C ILE A 46 2.597 -10.127 -7.316 1.00 0.00 C ATOM 655 O ILE A 46 3.738 -10.009 -6.869 1.00 0.00 O ATOM 656 CB ILE A 46 1.230 -8.053 -7.773 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.063 -7.304 -7.374 1.00 0.00 C ATOM 658 CG2 ILE A 46 1.231 -8.370 -9.290 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.331 -7.890 -7.996 1.00 0.00 C ATOM 0 H ILE A 46 2.101 -7.978 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 46 0.528 -9.898 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 46 2.099 -7.415 -7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.161 -7.320 -6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.027 -6.259 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.086 -7.449 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.185 -8.819 -9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.423 -9.065 -9.517 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.196 -7.313 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.256 -7.849 -9.083 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.446 -8.926 -7.679 1.00 0.00 H new ATOM 671 N TYR A 47 2.247 -11.001 -8.238 1.00 0.00 N ATOM 672 CA TYR A 47 2.935 -12.224 -8.528 1.00 0.00 C ATOM 673 C TYR A 47 3.045 -12.352 -10.045 1.00 0.00 C ATOM 674 O TYR A 47 2.120 -12.004 -10.784 1.00 0.00 O ATOM 675 CB TYR A 47 2.106 -13.328 -7.865 1.00 0.00 C ATOM 676 CG TYR A 47 2.084 -13.356 -6.341 1.00 0.00 C ATOM 677 CD1 TYR A 47 3.256 -13.117 -5.589 1.00 0.00 C ATOM 678 CD2 TYR A 47 0.881 -13.665 -5.673 1.00 0.00 C ATOM 679 CE1 TYR A 47 3.213 -13.151 -4.182 1.00 0.00 C ATOM 680 CE2 TYR A 47 0.841 -13.721 -4.266 1.00 0.00 C ATOM 681 CZ TYR A 47 2.005 -13.445 -3.515 1.00 0.00 C ATOM 682 OH TYR A 47 1.972 -13.465 -2.153 1.00 0.00 O ATOM 0 H TYR A 47 1.430 -10.861 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 47 3.954 -12.276 -8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.078 -13.238 -8.217 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.480 -14.290 -8.216 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.187 -12.908 -6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.015 -13.860 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.108 -12.951 -3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.080 -13.975 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 47 1.066 -13.683 -1.851 1.00 0.00 H new ATOM 692 N THR A 48 4.214 -12.770 -10.517 1.00 0.00 N ATOM 693 CA THR A 48 4.617 -12.565 -11.912 1.00 0.00 C ATOM 694 C THR A 48 3.956 -13.440 -12.997 1.00 0.00 C ATOM 695 O THR A 48 3.884 -12.975 -14.136 1.00 0.00 O ATOM 696 CB THR A 48 6.140 -12.737 -12.065 1.00 0.00 C ATOM 697 OG1 THR A 48 6.523 -13.988 -11.544 1.00 0.00 O ATOM 698 CG2 THR A 48 6.932 -11.659 -11.329 1.00 0.00 C ATOM 0 H THR A 48 4.908 -13.258 -9.951 1.00 0.00 H new ATOM 0 HA THR A 48 4.263 -11.551 -12.096 1.00 0.00 H new ATOM 0 HB THR A 48 6.362 -12.658 -13.129 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.360 -14.275 -11.965 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.999 -11.830 -11.472 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.666 -10.679 -11.724 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.697 -11.698 -10.265 1.00 0.00 H new ATOM 706 N ARG A 49 3.475 -14.685 -12.813 1.00 0.00 N ATOM 707 CA ARG A 49 3.243 -15.535 -11.617 1.00 0.00 C ATOM 708 C ARG A 49 4.192 -16.745 -11.538 1.00 0.00 C ATOM 709 O ARG A 49 3.861 -17.765 -10.934 1.00 0.00 O ATOM 710 CB ARG A 49 1.764 -15.982 -11.626 1.00 0.00 C ATOM 711 CG ARG A 49 0.771 -14.825 -11.434 1.00 0.00 C ATOM 712 CD ARG A 49 -0.678 -15.304 -11.620 1.00 0.00 C ATOM 713 NE ARG A 49 -1.505 -15.071 -10.417 1.00 0.00 N ATOM 714 CZ ARG A 49 -2.058 -15.970 -9.620 1.00 0.00 C ATOM 715 NH1 ARG A 49 -1.953 -17.253 -9.792 1.00 0.00 N ATOM 716 NH2 ARG A 49 -2.779 -15.576 -8.620 1.00 0.00 N ATOM 0 H ARG A 49 3.191 -15.208 -13.641 1.00 0.00 H new ATOM 0 HA ARG A 49 3.460 -14.945 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.550 -16.481 -12.571 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.610 -16.717 -10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.892 -14.399 -10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.990 -14.031 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.123 -14.787 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.679 -16.368 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.670 -14.095 -10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.419 -17.620 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.405 -17.894 -9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.917 -14.579 -8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.209 -16.262 -8.000 1.00 0.00 H new ATOM 730 N GLU A 50 5.376 -16.652 -12.137 1.00 0.00 N ATOM 731 CA GLU A 50 6.418 -17.699 -12.159 1.00 0.00 C ATOM 732 C GLU A 50 7.193 -17.860 -10.825 1.00 0.00 C ATOM 733 O GLU A 50 8.423 -17.949 -10.795 1.00 0.00 O ATOM 734 CB GLU A 50 7.276 -17.654 -13.438 1.00 0.00 C ATOM 735 CG GLU A 50 7.768 -16.283 -13.887 1.00 0.00 C ATOM 736 CD GLU A 50 9.033 -15.804 -13.157 1.00 0.00 C ATOM 737 OE1 GLU A 50 10.117 -16.414 -13.325 1.00 0.00 O ATOM 738 OE2 GLU A 50 8.974 -14.782 -12.434 1.00 0.00 O ATOM 0 H GLU A 50 5.657 -15.813 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 50 5.891 -18.651 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.145 -18.294 -13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.696 -18.090 -14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.968 -16.313 -14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.973 -15.554 -13.731 1.00 0.00 H new ATOM 745 N GLY A 51 6.464 -17.899 -9.701 1.00 0.00 N ATOM 746 CA GLY A 51 6.988 -18.183 -8.356 1.00 0.00 C ATOM 747 C GLY A 51 7.671 -16.994 -7.673 1.00 0.00 C ATOM 748 O GLY A 51 8.568 -17.187 -6.846 1.00 0.00 O ATOM 0 H GLY A 51 5.458 -17.728 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.167 -18.525 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.701 -19.005 -8.424 1.00 0.00 H new ATOM 752 N ARG A 52 7.293 -15.770 -8.059 1.00 0.00 N ATOM 753 CA ARG A 52 8.066 -14.541 -7.825 1.00 0.00 C ATOM 754 C ARG A 52 7.164 -13.320 -7.706 1.00 0.00 C ATOM 755 O ARG A 52 6.061 -13.299 -8.254 1.00 0.00 O ATOM 756 CB ARG A 52 9.018 -14.392 -9.025 1.00 0.00 C ATOM 757 CG ARG A 52 10.345 -13.682 -8.715 1.00 0.00 C ATOM 758 CD ARG A 52 11.194 -13.501 -9.987 1.00 0.00 C ATOM 759 NE ARG A 52 11.315 -14.744 -10.774 1.00 0.00 N ATOM 760 CZ ARG A 52 12.056 -15.806 -10.522 1.00 0.00 C ATOM 761 NH1 ARG A 52 12.911 -15.853 -9.537 1.00 0.00 N ATOM 762 NH2 ARG A 52 11.931 -16.858 -11.272 1.00 0.00 N ATOM 0 H ARG A 52 6.418 -15.601 -8.556 1.00 0.00 H new ATOM 0 HA ARG A 52 8.612 -14.610 -6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.237 -15.383 -9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.503 -13.841 -9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.143 -12.708 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.906 -14.260 -7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.748 -12.724 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.189 -13.154 -9.708 1.00 0.00 H new ATOM 0 HE ARG A 52 10.752 -14.787 -11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.027 -15.046 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.463 -16.696 -9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.266 -16.857 -12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.498 -17.686 -11.088 1.00 0.00 H new ATOM 776 N GLN A 53 7.636 -12.297 -7.002 1.00 0.00 N ATOM 777 CA GLN A 53 6.941 -11.035 -6.816 1.00 0.00 C ATOM 778 C GLN A 53 7.189 -10.052 -7.973 1.00 0.00 C ATOM 779 O GLN A 53 8.301 -9.956 -8.497 1.00 0.00 O ATOM 780 CB GLN A 53 7.426 -10.425 -5.489 1.00 0.00 C ATOM 781 CG GLN A 53 6.233 -9.992 -4.647 1.00 0.00 C ATOM 782 CD GLN A 53 6.658 -9.355 -3.328 1.00 0.00 C ATOM 783 OE1 GLN A 53 7.441 -8.418 -3.270 1.00 0.00 O ATOM 784 NE2 GLN A 53 6.174 -9.852 -2.212 1.00 0.00 N ATOM 0 H GLN A 53 8.541 -12.327 -6.532 1.00 0.00 H new ATOM 0 HA GLN A 53 5.867 -11.222 -6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.023 -11.154 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.071 -9.569 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.630 -9.282 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.601 -10.857 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.520 -10.634 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.453 -9.456 -1.314 1.00 0.00 H new ATOM 793 N SER A 54 6.171 -9.259 -8.309 1.00 0.00 N ATOM 794 CA SER A 54 6.356 -7.941 -8.919 1.00 0.00 C ATOM 795 C SER A 54 6.708 -6.923 -7.817 1.00 0.00 C ATOM 796 O SER A 54 6.488 -7.175 -6.630 1.00 0.00 O ATOM 797 CB SER A 54 5.061 -7.540 -9.641 1.00 0.00 C ATOM 798 OG SER A 54 5.263 -6.353 -10.388 1.00 0.00 O ATOM 0 H SER A 54 5.193 -9.512 -8.166 1.00 0.00 H new ATOM 0 HA SER A 54 7.169 -7.965 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.741 -8.345 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.263 -7.389 -8.914 1.00 0.00 H new ATOM 0 HG SER A 54 4.395 -5.959 -10.617 1.00 0.00 H new ATOM 804 N GLY A 55 7.182 -5.735 -8.191 1.00 0.00 N ATOM 805 CA GLY A 55 7.255 -4.568 -7.291 1.00 0.00 C ATOM 806 C GLY A 55 5.890 -3.903 -7.168 1.00 0.00 C ATOM 807 O GLY A 55 5.758 -2.702 -7.390 1.00 0.00 O ATOM 0 H GLY A 55 7.530 -5.547 -9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.603 -4.882 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.982 -3.851 -7.673 1.00 0.00 H new ATOM 811 N GLU A 56 4.862 -4.697 -6.884 1.00 0.00 N ATOM 812 CA GLU A 56 3.462 -4.288 -6.834 1.00 0.00 C ATOM 813 C GLU A 56 2.707 -5.073 -5.755 1.00 0.00 C ATOM 814 O GLU A 56 3.011 -6.231 -5.455 1.00 0.00 O ATOM 815 CB GLU A 56 2.779 -4.512 -8.193 1.00 0.00 C ATOM 816 CG GLU A 56 3.194 -3.520 -9.285 1.00 0.00 C ATOM 817 CD GLU A 56 2.530 -3.886 -10.621 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.929 -4.898 -11.247 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.590 -3.165 -11.034 1.00 0.00 O ATOM 0 H GLU A 56 4.988 -5.687 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 56 3.436 -3.226 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.001 -5.523 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.699 -4.452 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.908 -2.509 -8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.278 -3.525 -9.397 1.00 0.00 H new ATOM 826 N ALA A 57 1.691 -4.432 -5.190 1.00 0.00 N ATOM 827 CA ALA A 57 0.829 -4.966 -4.145 1.00 0.00 C ATOM 828 C ALA A 57 -0.528 -4.250 -4.152 1.00 0.00 C ATOM 829 O ALA A 57 -0.725 -3.273 -4.871 1.00 0.00 O ATOM 830 CB ALA A 57 1.570 -4.799 -2.814 1.00 0.00 C ATOM 0 H ALA A 57 1.435 -3.483 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 57 0.615 -6.022 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.954 -5.189 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.511 -5.347 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.772 -3.742 -2.640 1.00 0.00 H new ATOM 836 N PHE A 58 -1.465 -4.727 -3.342 1.00 0.00 N ATOM 837 CA PHE A 58 -2.801 -4.154 -3.157 1.00 0.00 C ATOM 838 C PHE A 58 -3.237 -4.427 -1.704 1.00 0.00 C ATOM 839 O PHE A 58 -2.985 -5.504 -1.171 1.00 0.00 O ATOM 840 CB PHE A 58 -3.780 -4.828 -4.120 1.00 0.00 C ATOM 841 CG PHE A 58 -3.706 -4.335 -5.560 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.785 -4.906 -6.460 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.540 -3.295 -6.013 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.661 -4.416 -7.771 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.492 -2.886 -7.355 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.529 -3.412 -8.224 1.00 0.00 C ATOM 0 H PHE A 58 -1.313 -5.558 -2.770 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.789 -3.082 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.596 -5.902 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.794 -4.675 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.166 -5.731 -6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.218 -2.811 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.900 -4.811 -8.428 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.204 -2.160 -7.720 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.455 -3.047 -9.238 1.00 0.00 H new ATOM 856 N VAL A 59 -3.915 -3.494 -1.045 1.00 0.00 N ATOM 857 CA VAL A 59 -4.189 -3.508 0.403 1.00 0.00 C ATOM 858 C VAL A 59 -5.586 -2.936 0.663 1.00 0.00 C ATOM 859 O VAL A 59 -5.777 -1.733 0.521 1.00 0.00 O ATOM 860 CB VAL A 59 -3.145 -2.642 1.136 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.496 -2.412 2.610 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.782 -3.331 1.130 1.00 0.00 C ATOM 0 H VAL A 59 -4.306 -2.676 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.136 -4.533 0.769 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.130 -1.691 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.726 -1.796 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.458 -1.905 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.553 -3.371 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.056 -2.707 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.859 -4.295 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.456 -3.484 0.101 1.00 0.00 H new ATOM 872 N GLU A 60 -6.559 -3.756 1.062 1.00 0.00 N ATOM 873 CA GLU A 60 -7.771 -3.297 1.756 1.00 0.00 C ATOM 874 C GLU A 60 -7.398 -2.577 3.059 1.00 0.00 C ATOM 875 O GLU A 60 -7.089 -3.211 4.073 1.00 0.00 O ATOM 876 CB GLU A 60 -8.705 -4.459 2.136 1.00 0.00 C ATOM 877 CG GLU A 60 -9.544 -5.035 0.998 1.00 0.00 C ATOM 878 CD GLU A 60 -10.529 -6.084 1.546 1.00 0.00 C ATOM 879 OE1 GLU A 60 -11.287 -5.782 2.498 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.558 -7.220 1.016 1.00 0.00 O ATOM 0 H GLU A 60 -6.532 -4.765 0.913 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.283 -2.631 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.102 -5.262 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.378 -4.117 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.092 -4.236 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.894 -5.490 0.251 1.00 0.00 H new ATOM 887 N LEU A 61 -7.441 -1.247 3.054 1.00 0.00 N ATOM 888 CA LEU A 61 -7.330 -0.477 4.291 1.00 0.00 C ATOM 889 C LEU A 61 -8.570 -0.629 5.183 1.00 0.00 C ATOM 890 O LEU A 61 -9.593 -1.189 4.792 1.00 0.00 O ATOM 891 CB LEU A 61 -6.957 0.987 4.035 1.00 0.00 C ATOM 892 CG LEU A 61 -5.511 1.131 3.584 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.147 2.347 2.803 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.489 0.941 4.695 1.00 0.00 C ATOM 0 H LEU A 61 -7.551 -0.682 2.212 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.499 -0.905 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.618 1.403 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.113 1.566 4.945 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.463 0.298 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.087 2.314 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.737 2.381 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.350 3.237 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.484 1.060 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.656 1.685 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.593 -0.058 5.119 1.00 0.00 H new ATOM 906 N GLY A 62 -8.460 -0.148 6.415 1.00 0.00 N ATOM 907 CA GLY A 62 -9.463 -0.336 7.458 1.00 0.00 C ATOM 908 C GLY A 62 -10.530 0.769 7.530 1.00 0.00 C ATOM 909 O GLY A 62 -11.526 0.618 8.242 1.00 0.00 O ATOM 0 H GLY A 62 -7.654 0.395 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.960 -1.292 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.958 -0.398 8.422 1.00 0.00 H new ATOM 913 N SER A 63 -10.389 1.807 6.701 1.00 0.00 N ATOM 914 CA SER A 63 -11.437 2.737 6.255 1.00 0.00 C ATOM 915 C SER A 63 -10.985 3.447 4.967 1.00 0.00 C ATOM 916 O SER A 63 -9.833 3.307 4.558 1.00 0.00 O ATOM 917 CB SER A 63 -11.755 3.750 7.359 1.00 0.00 C ATOM 918 OG SER A 63 -10.713 4.691 7.524 1.00 0.00 O ATOM 0 H SER A 63 -9.482 2.037 6.296 1.00 0.00 H new ATOM 0 HA SER A 63 -12.348 2.178 6.042 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.681 4.272 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.921 3.223 8.299 1.00 0.00 H new ATOM 0 HG SER A 63 -10.001 4.298 8.071 1.00 0.00 H new ATOM 924 N GLU A 64 -11.831 4.243 4.307 1.00 0.00 N ATOM 925 CA GLU A 64 -11.357 5.091 3.195 1.00 0.00 C ATOM 926 C GLU A 64 -10.545 6.300 3.683 1.00 0.00 C ATOM 927 O GLU A 64 -9.721 6.832 2.948 1.00 0.00 O ATOM 928 CB GLU A 64 -12.514 5.593 2.331 1.00 0.00 C ATOM 929 CG GLU A 64 -12.110 5.600 0.839 1.00 0.00 C ATOM 930 CD GLU A 64 -12.534 6.874 0.091 1.00 0.00 C ATOM 931 OE1 GLU A 64 -13.303 7.702 0.630 1.00 0.00 O ATOM 932 OE2 GLU A 64 -12.133 7.071 -1.080 1.00 0.00 O ATOM 0 H GLU A 64 -12.827 4.322 4.512 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.708 4.451 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.387 4.956 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.799 6.598 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.028 5.488 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.555 4.735 0.347 1.00 0.00 H new ATOM 939 N ASP A 65 -10.723 6.750 4.924 1.00 0.00 N ATOM 940 CA ASP A 65 -9.850 7.765 5.497 1.00 0.00 C ATOM 941 C ASP A 65 -8.454 7.182 5.795 1.00 0.00 C ATOM 942 O ASP A 65 -7.466 7.906 5.705 1.00 0.00 O ATOM 943 CB ASP A 65 -10.549 8.388 6.707 1.00 0.00 C ATOM 944 CG ASP A 65 -11.536 9.508 6.307 1.00 0.00 C ATOM 945 OD1 ASP A 65 -12.086 9.500 5.174 1.00 0.00 O ATOM 946 OD2 ASP A 65 -11.762 10.422 7.137 1.00 0.00 O ATOM 0 H ASP A 65 -11.462 6.427 5.548 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.668 8.570 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.086 7.612 7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.800 8.794 7.387 1.00 0.00 H new ATOM 951 N ASP A 66 -8.335 5.866 6.010 1.00 0.00 N ATOM 952 CA ASP A 66 -7.082 5.117 5.836 1.00 0.00 C ATOM 953 C ASP A 66 -6.574 5.160 4.394 1.00 0.00 C ATOM 954 O ASP A 66 -5.403 5.472 4.195 1.00 0.00 O ATOM 955 CB ASP A 66 -7.174 3.724 6.445 1.00 0.00 C ATOM 956 CG ASP A 66 -7.414 3.835 7.957 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.499 4.287 8.687 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.530 3.500 8.415 1.00 0.00 O ATOM 0 H ASP A 66 -9.115 5.283 6.313 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.303 5.623 6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.985 3.165 5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.255 3.171 6.253 1.00 0.00 H new ATOM 963 N VAL A 67 -7.409 4.975 3.365 1.00 0.00 N ATOM 964 CA VAL A 67 -6.946 5.102 1.973 1.00 0.00 C ATOM 965 C VAL A 67 -6.279 6.446 1.694 1.00 0.00 C ATOM 966 O VAL A 67 -5.178 6.510 1.157 1.00 0.00 O ATOM 967 CB VAL A 67 -8.046 4.802 0.943 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.818 3.513 1.198 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.668 5.929 0.110 1.00 0.00 C ATOM 0 H VAL A 67 -8.397 4.740 3.464 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.184 4.332 1.855 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.458 4.549 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.573 3.382 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.130 2.668 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.304 3.566 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.424 5.514 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.131 6.659 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.892 6.417 -0.480 1.00 0.00 H new ATOM 979 N LYS A 68 -6.926 7.516 2.146 1.00 0.00 N ATOM 980 CA LYS A 68 -6.446 8.901 2.206 1.00 0.00 C ATOM 981 C LYS A 68 -5.171 9.084 3.047 1.00 0.00 C ATOM 982 O LYS A 68 -4.267 9.799 2.615 1.00 0.00 O ATOM 983 CB LYS A 68 -7.621 9.728 2.737 1.00 0.00 C ATOM 984 CG LYS A 68 -8.642 10.039 1.631 1.00 0.00 C ATOM 985 CD LYS A 68 -10.007 10.468 2.202 1.00 0.00 C ATOM 986 CE LYS A 68 -11.096 9.545 1.650 1.00 0.00 C ATOM 987 NZ LYS A 68 -12.404 9.733 2.318 1.00 0.00 N ATOM 0 H LYS A 68 -7.876 7.435 2.510 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.137 9.233 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.113 9.185 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.248 10.660 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.252 10.831 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.774 9.158 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.990 10.420 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.219 11.502 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.210 9.725 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.780 8.508 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.089 9.048 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.296 9.585 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.748 10.699 2.143 1.00 0.00 H new ATOM 1001 N MET A 69 -5.034 8.405 4.190 1.00 0.00 N ATOM 1002 CA MET A 69 -3.767 8.343 4.944 1.00 0.00 C ATOM 1003 C MET A 69 -2.646 7.658 4.150 1.00 0.00 C ATOM 1004 O MET A 69 -1.478 8.014 4.292 1.00 0.00 O ATOM 1005 CB MET A 69 -3.931 7.604 6.275 1.00 0.00 C ATOM 1006 CG MET A 69 -4.899 8.297 7.223 1.00 0.00 C ATOM 1007 SD MET A 69 -4.182 8.999 8.723 1.00 0.00 S ATOM 1008 CE MET A 69 -5.758 9.182 9.584 1.00 0.00 C ATOM 0 H MET A 69 -5.795 7.881 4.623 1.00 0.00 H new ATOM 0 HA MET A 69 -3.491 9.381 5.130 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.283 6.591 6.081 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.958 7.516 6.758 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.400 9.096 6.677 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.666 7.579 7.514 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.586 9.611 10.571 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.411 9.840 9.011 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.230 8.205 9.690 1.00 0.00 H new ATOM 1018 N ALA A 70 -2.993 6.698 3.294 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.058 6.060 2.371 1.00 0.00 C ATOM 1020 C ALA A 70 -1.702 6.949 1.163 1.00 0.00 C ATOM 1021 O ALA A 70 -0.534 7.018 0.775 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.579 4.660 2.011 1.00 0.00 C ATOM 0 H ALA A 70 -3.944 6.337 3.222 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.096 5.928 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.884 4.179 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.665 4.060 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.557 4.746 1.538 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.656 7.725 0.639 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.412 8.756 -0.375 1.00 0.00 C ATOM 1030 C LEU A 71 -1.423 9.848 0.063 1.00 0.00 C ATOM 1031 O LEU A 71 -0.738 10.408 -0.793 1.00 0.00 O ATOM 1032 CB LEU A 71 -3.712 9.438 -0.815 1.00 0.00 C ATOM 1033 CG LEU A 71 -4.825 8.554 -1.414 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -5.728 9.438 -2.262 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.376 7.361 -2.259 1.00 0.00 C ATOM 0 H LEU A 71 -3.636 7.653 0.912 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.965 8.211 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.126 9.957 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.457 10.200 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.327 8.109 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.524 8.834 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.164 10.218 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.143 9.896 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.251 6.821 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.792 7.716 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.764 6.694 -1.651 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.283 10.125 1.372 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.212 11.008 1.896 1.00 0.00 C ATOM 1049 C LYS A 72 1.166 10.668 1.305 1.00 0.00 C ATOM 1050 O LYS A 72 1.985 11.551 1.041 1.00 0.00 O ATOM 1051 CB LYS A 72 -0.019 10.860 3.418 1.00 0.00 C ATOM 1052 CG LYS A 72 -1.177 11.187 4.367 1.00 0.00 C ATOM 1053 CD LYS A 72 -0.671 10.874 5.792 1.00 0.00 C ATOM 1054 CE LYS A 72 -1.733 10.855 6.894 1.00 0.00 C ATOM 1055 NZ LYS A 72 -1.111 10.536 8.208 1.00 0.00 N ATOM 0 H LYS A 72 -1.899 9.750 2.094 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.541 12.010 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.277 9.829 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.823 11.492 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.468 12.234 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.057 10.590 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.177 9.903 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.086 11.612 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.230 11.824 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.498 10.116 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.771 9.967 8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.234 9.999 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.893 11.419 8.712 1.00 0.00 H new ATOM 1069 N LYS A 73 1.400 9.362 1.136 1.00 0.00 N ATOM 1070 CA LYS A 73 2.664 8.723 0.750 1.00 0.00 C ATOM 1071 C LYS A 73 2.725 8.375 -0.741 1.00 0.00 C ATOM 1072 O LYS A 73 3.597 7.616 -1.147 1.00 0.00 O ATOM 1073 CB LYS A 73 2.892 7.457 1.613 1.00 0.00 C ATOM 1074 CG LYS A 73 2.613 7.557 3.122 1.00 0.00 C ATOM 1075 CD LYS A 73 3.521 8.516 3.904 1.00 0.00 C ATOM 1076 CE LYS A 73 4.856 7.888 4.327 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.696 6.906 5.427 1.00 0.00 N ATOM 0 H LYS A 73 0.659 8.675 1.275 1.00 0.00 H new ATOM 0 HA LYS A 73 3.461 9.444 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.268 6.660 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.929 7.146 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.578 7.870 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.706 6.562 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.720 9.395 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.993 8.860 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.311 7.396 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.541 8.675 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.583 6.841 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.929 7.214 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.463 5.974 5.029 1.00 0.00 H new ATOM 1091 N ASP A 74 1.815 8.892 -1.569 1.00 0.00 N ATOM 1092 CA ASP A 74 1.548 8.379 -2.922 1.00 0.00 C ATOM 1093 C ASP A 74 2.666 8.397 -3.981 1.00 0.00 C ATOM 1094 O ASP A 74 2.417 7.905 -5.076 1.00 0.00 O ATOM 1095 CB ASP A 74 0.259 8.979 -3.503 1.00 0.00 C ATOM 1096 CG ASP A 74 0.296 10.493 -3.800 1.00 0.00 C ATOM 1097 OD1 ASP A 74 1.366 11.139 -3.689 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.759 11.045 -4.199 1.00 0.00 O ATOM 0 H ASP A 74 1.232 9.691 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 74 1.451 7.313 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.020 8.453 -4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.556 8.785 -2.806 1.00 0.00 H new ATOM 1103 N ARG A 75 3.872 8.885 -3.677 1.00 0.00 N ATOM 1104 CA ARG A 75 5.138 8.716 -4.437 1.00 0.00 C ATOM 1105 C ARG A 75 6.378 8.708 -3.516 1.00 0.00 C ATOM 1106 O ARG A 75 7.503 8.964 -3.946 1.00 0.00 O ATOM 1107 CB ARG A 75 5.248 9.778 -5.562 1.00 0.00 C ATOM 1108 CG ARG A 75 4.392 9.426 -6.790 1.00 0.00 C ATOM 1109 CD ARG A 75 4.787 10.216 -8.038 1.00 0.00 C ATOM 1110 NE ARG A 75 4.244 9.569 -9.244 1.00 0.00 N ATOM 1111 CZ ARG A 75 4.519 9.838 -10.503 1.00 0.00 C ATOM 1112 NH1 ARG A 75 5.234 10.867 -10.869 1.00 0.00 N ATOM 1113 NH2 ARG A 75 4.063 9.033 -11.412 1.00 0.00 N ATOM 0 H ARG A 75 4.011 9.449 -2.838 1.00 0.00 H new ATOM 0 HA ARG A 75 5.111 7.734 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.938 10.748 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.290 9.875 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.484 8.360 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.343 9.617 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.412 11.237 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.873 10.279 -8.108 1.00 0.00 H new ATOM 0 HE ARG A 75 3.571 8.819 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.607 11.505 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.420 11.033 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.509 8.220 -11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.258 9.213 -12.397 1.00 0.00 H new ATOM 1127 N GLU A 76 6.169 8.431 -2.233 1.00 0.00 N ATOM 1128 CA GLU A 76 7.169 8.293 -1.172 1.00 0.00 C ATOM 1129 C GLU A 76 7.690 6.828 -1.130 1.00 0.00 C ATOM 1130 O GLU A 76 7.537 6.092 -2.103 1.00 0.00 O ATOM 1131 CB GLU A 76 6.531 8.966 0.061 1.00 0.00 C ATOM 1132 CG GLU A 76 6.635 8.409 1.468 1.00 0.00 C ATOM 1133 CD GLU A 76 7.983 8.629 2.184 1.00 0.00 C ATOM 1134 OE1 GLU A 76 9.045 8.598 1.518 1.00 0.00 O ATOM 1135 OE2 GLU A 76 7.981 8.816 3.423 1.00 0.00 O ATOM 0 H GLU A 76 5.224 8.285 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 76 8.121 8.808 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.935 9.978 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.466 9.056 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.847 8.857 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.437 7.338 1.429 1.00 0.00 H new ATOM 1142 N SER A 77 8.396 6.403 -0.087 1.00 0.00 N ATOM 1143 CA SER A 77 9.219 5.186 -0.008 1.00 0.00 C ATOM 1144 C SER A 77 9.061 4.436 1.321 1.00 0.00 C ATOM 1145 O SER A 77 8.721 5.030 2.347 1.00 0.00 O ATOM 1146 CB SER A 77 10.697 5.572 -0.197 1.00 0.00 C ATOM 1147 OG SER A 77 11.173 6.402 0.851 1.00 0.00 O ATOM 0 H SER A 77 8.414 6.929 0.786 1.00 0.00 H new ATOM 0 HA SER A 77 8.879 4.513 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.303 4.668 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.817 6.088 -1.150 1.00 0.00 H new ATOM 0 HG SER A 77 10.525 7.117 1.022 1.00 0.00 H new ATOM 1153 N MET A 78 9.342 3.126 1.322 1.00 0.00 N ATOM 1154 CA MET A 78 9.337 2.288 2.541 1.00 0.00 C ATOM 1155 C MET A 78 10.665 2.338 3.334 1.00 0.00 C ATOM 1156 O MET A 78 10.745 1.819 4.449 1.00 0.00 O ATOM 1157 CB MET A 78 8.862 0.866 2.217 1.00 0.00 C ATOM 1158 CG MET A 78 9.968 -0.109 1.840 1.00 0.00 C ATOM 1159 SD MET A 78 11.115 0.387 0.535 1.00 0.00 S ATOM 1160 CE MET A 78 12.488 -0.714 0.965 1.00 0.00 C ATOM 0 H MET A 78 9.581 2.610 0.475 1.00 0.00 H new ATOM 0 HA MET A 78 8.611 2.720 3.229 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.329 0.471 3.082 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.146 0.916 1.396 1.00 0.00 H new ATOM 0 HG2 MET A 78 10.551 -0.319 2.737 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.501 -1.046 1.537 1.00 0.00 H new ATOM 0 HE1 MET A 78 13.218 -0.719 0.155 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.964 -0.362 1.880 1.00 0.00 H new ATOM 0 HE3 MET A 78 12.110 -1.725 1.118 1.00 0.00 H new ATOM 1170 N GLY A 79 11.698 2.974 2.765 1.00 0.00 N ATOM 1171 CA GLY A 79 13.017 3.194 3.372 1.00 0.00 C ATOM 1172 C GLY A 79 14.131 3.399 2.336 1.00 0.00 C ATOM 1173 O GLY A 79 14.974 4.284 2.499 1.00 0.00 O ATOM 0 H GLY A 79 11.633 3.367 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.970 4.067 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.267 2.340 4.002 1.00 0.00 H new ATOM 1177 N HIS A 80 14.119 2.604 1.258 1.00 0.00 N ATOM 1178 CA HIS A 80 15.143 2.605 0.191 1.00 0.00 C ATOM 1179 C HIS A 80 14.627 2.117 -1.191 1.00 0.00 C ATOM 1180 O HIS A 80 15.416 1.750 -2.065 1.00 0.00 O ATOM 1181 CB HIS A 80 16.388 1.838 0.691 1.00 0.00 C ATOM 1182 CG HIS A 80 16.121 0.471 1.273 1.00 0.00 C ATOM 1183 ND1 HIS A 80 16.034 -0.717 0.581 1.00 0.00 N ATOM 1184 CD2 HIS A 80 15.973 0.173 2.602 1.00 0.00 C ATOM 1185 CE1 HIS A 80 15.830 -1.706 1.470 1.00 0.00 C ATOM 1186 NE2 HIS A 80 15.782 -1.210 2.721 1.00 0.00 N ATOM 0 H HIS A 80 13.379 1.922 1.094 1.00 0.00 H new ATOM 0 HA HIS A 80 15.422 3.640 -0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 80 17.084 1.730 -0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 80 16.887 2.444 1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 80 15.999 0.881 3.417 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.720 -2.750 1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 80 15.636 -1.736 3.583 1.00 0.00 H new ATOM 1194 N ARG A 81 13.301 2.132 -1.407 1.00 0.00 N ATOM 1195 CA ARG A 81 12.589 1.895 -2.684 1.00 0.00 C ATOM 1196 C ARG A 81 11.242 2.610 -2.661 1.00 0.00 C ATOM 1197 O ARG A 81 10.685 2.870 -1.595 1.00 0.00 O ATOM 1198 CB ARG A 81 12.324 0.393 -2.894 1.00 0.00 C ATOM 1199 CG ARG A 81 13.199 -0.303 -3.943 1.00 0.00 C ATOM 1200 CD ARG A 81 12.894 0.168 -5.371 1.00 0.00 C ATOM 1201 NE ARG A 81 13.567 -0.696 -6.359 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.040 -1.674 -7.075 1.00 0.00 C ATOM 1203 NH1 ARG A 81 11.771 -1.958 -7.086 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.807 -2.417 -7.815 1.00 0.00 N ATOM 0 H ARG A 81 12.650 2.323 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 81 13.216 2.273 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.460 -0.117 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.279 0.265 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.249 -0.114 -3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.048 -1.381 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.818 0.154 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.224 1.199 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 81 14.560 -0.517 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.121 -1.412 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.425 -2.727 -7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.812 -2.245 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.404 -3.173 -8.369 1.00 0.00 H new ATOM 1218 N TYR A 82 10.709 2.896 -3.841 1.00 0.00 N ATOM 1219 CA TYR A 82 9.524 3.746 -3.985 1.00 0.00 C ATOM 1220 C TYR A 82 8.208 2.974 -3.927 1.00 0.00 C ATOM 1221 O TYR A 82 8.096 1.815 -4.331 1.00 0.00 O ATOM 1222 CB TYR A 82 9.614 4.604 -5.254 1.00 0.00 C ATOM 1223 CG TYR A 82 10.656 5.701 -5.138 1.00 0.00 C ATOM 1224 CD1 TYR A 82 10.339 6.882 -4.438 1.00 0.00 C ATOM 1225 CD2 TYR A 82 11.943 5.532 -5.686 1.00 0.00 C ATOM 1226 CE1 TYR A 82 11.303 7.898 -4.287 1.00 0.00 C ATOM 1227 CE2 TYR A 82 12.911 6.545 -5.535 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.594 7.731 -4.835 1.00 0.00 C ATOM 1229 OH TYR A 82 13.535 8.705 -4.694 1.00 0.00 O ATOM 0 H TYR A 82 11.081 2.549 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 82 9.517 4.407 -3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.855 3.966 -6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.641 5.051 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.353 7.009 -4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.188 4.627 -6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.055 8.803 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.897 6.415 -5.955 1.00 0.00 H new ATOM 0 HH TYR A 82 14.366 8.423 -5.131 1.00 0.00 H new ATOM 1239 N ILE A 83 7.189 3.655 -3.417 1.00 0.00 N ATOM 1240 CA ILE A 83 5.871 3.094 -3.162 1.00 0.00 C ATOM 1241 C ILE A 83 4.811 4.108 -3.616 1.00 0.00 C ATOM 1242 O ILE A 83 4.247 4.871 -2.832 1.00 0.00 O ATOM 1243 CB ILE A 83 5.742 2.719 -1.675 1.00 0.00 C ATOM 1244 CG1 ILE A 83 6.924 1.974 -1.020 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.450 1.920 -1.501 1.00 0.00 C ATOM 1246 CD1 ILE A 83 7.137 0.534 -1.481 1.00 0.00 C ATOM 0 H ILE A 83 7.260 4.640 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 83 5.720 2.175 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 83 5.736 3.669 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.837 2.537 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.775 1.972 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.333 1.641 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.601 2.529 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.494 1.020 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.992 0.107 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.246 -0.054 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.325 0.520 -2.555 1.00 0.00 H new ATOM 1258 N GLU A 84 4.563 4.159 -4.923 1.00 0.00 N ATOM 1259 CA GLU A 84 3.441 4.901 -5.487 1.00 0.00 C ATOM 1260 C GLU A 84 2.127 4.232 -5.062 1.00 0.00 C ATOM 1261 O GLU A 84 1.859 3.083 -5.417 1.00 0.00 O ATOM 1262 CB GLU A 84 3.605 4.955 -7.014 1.00 0.00 C ATOM 1263 CG GLU A 84 2.578 5.837 -7.716 1.00 0.00 C ATOM 1264 CD GLU A 84 2.873 6.008 -9.220 1.00 0.00 C ATOM 1265 OE1 GLU A 84 3.179 5.010 -9.916 1.00 0.00 O ATOM 1266 OE2 GLU A 84 2.814 7.156 -9.724 1.00 0.00 O ATOM 0 H GLU A 84 5.137 3.685 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 84 3.419 5.925 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.605 5.321 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.534 3.943 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.586 5.403 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.560 6.817 -7.239 1.00 0.00 H new ATOM 1273 N VAL A 85 1.322 4.942 -4.271 1.00 0.00 N ATOM 1274 CA VAL A 85 0.014 4.450 -3.790 1.00 0.00 C ATOM 1275 C VAL A 85 -1.072 4.984 -4.701 1.00 0.00 C ATOM 1276 O VAL A 85 -1.202 6.191 -4.908 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.350 4.833 -2.339 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.504 3.928 -1.863 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.831 4.638 -1.393 1.00 0.00 C ATOM 0 H VAL A 85 1.552 5.879 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 85 0.093 3.363 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.636 5.885 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.771 4.188 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.369 4.070 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.189 2.885 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.537 4.918 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.138 3.592 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.663 5.265 -1.715 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.894 4.072 -5.189 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.127 4.393 -5.892 1.00 0.00 C ATOM 1291 C PHE A 86 -4.302 3.950 -5.053 1.00 0.00 C ATOM 1292 O PHE A 86 -4.275 2.913 -4.398 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.109 3.619 -7.203 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.156 4.113 -8.269 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.830 3.636 -8.279 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -2.580 5.028 -9.249 1.00 0.00 C ATOM 1297 CE1 PHE A 86 0.071 4.075 -9.261 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.675 5.470 -10.232 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.350 4.997 -10.236 1.00 0.00 C ATOM 0 H PHE A 86 -1.722 3.070 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.212 5.464 -6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.864 2.580 -6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.117 3.627 -7.617 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.506 2.930 -7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.597 5.391 -9.247 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.086 3.706 -9.268 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.998 6.174 -10.985 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.344 5.342 -10.988 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.376 4.715 -5.136 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.688 4.266 -4.713 1.00 0.00 C ATOM 1311 C LYS A 87 -7.208 3.249 -5.720 1.00 0.00 C ATOM 1312 O LYS A 87 -6.948 3.349 -6.922 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.611 5.469 -4.556 1.00 0.00 C ATOM 1314 CG LYS A 87 -8.909 4.985 -3.898 1.00 0.00 C ATOM 1315 CD LYS A 87 -9.681 6.127 -3.258 1.00 0.00 C ATOM 1316 CE LYS A 87 -10.550 6.888 -4.247 1.00 0.00 C ATOM 1317 NZ LYS A 87 -11.219 7.998 -3.537 1.00 0.00 N ATOM 0 H LYS A 87 -5.361 5.668 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.640 3.774 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.137 6.237 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.820 5.919 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.535 4.498 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.675 4.236 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.310 5.731 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.977 6.819 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.941 7.275 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.291 6.222 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.103 8.241 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.433 7.707 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.592 8.828 -3.522 1.00 0.00 H new ATOM 1331 N SER A 88 -7.908 2.252 -5.209 1.00 0.00 N ATOM 1332 CA SER A 88 -8.211 1.020 -5.910 1.00 0.00 C ATOM 1333 C SER A 88 -9.586 0.523 -5.480 1.00 0.00 C ATOM 1334 O SER A 88 -10.212 1.095 -4.579 1.00 0.00 O ATOM 1335 CB SER A 88 -7.089 0.042 -5.571 1.00 0.00 C ATOM 1336 OG SER A 88 -7.219 -1.208 -6.210 1.00 0.00 O ATOM 0 H SER A 88 -8.293 2.280 -4.265 1.00 0.00 H new ATOM 0 HA SER A 88 -8.257 1.148 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.134 0.486 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.065 -0.111 -4.492 1.00 0.00 H new ATOM 0 HG SER A 88 -7.099 -1.096 -7.176 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.062 -0.544 -6.111 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.333 -1.162 -5.770 1.00 0.00 C ATOM 1344 C HIS A 89 -11.186 -2.675 -5.603 1.00 0.00 C ATOM 1345 O HIS A 89 -10.312 -3.291 -6.214 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.378 -0.779 -6.833 1.00 0.00 C ATOM 1347 CG HIS A 89 -12.776 0.680 -6.779 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -12.544 1.639 -7.742 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -13.422 1.304 -5.745 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -13.042 2.807 -7.300 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -13.593 2.655 -6.082 1.00 0.00 N ATOM 0 H HIS A 89 -9.572 -1.006 -6.878 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.677 -0.789 -4.805 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.980 -1.004 -7.822 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.266 -1.396 -6.699 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -12.075 1.488 -8.635 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.745 0.836 -4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.005 3.738 -7.847 1.00 0.00 H new ATOM 1359 N ARG A 90 -12.041 -3.291 -4.780 1.00 0.00 N ATOM 1360 CA ARG A 90 -12.006 -4.742 -4.506 1.00 0.00 C ATOM 1361 C ARG A 90 -12.168 -5.555 -5.796 1.00 0.00 C ATOM 1362 O ARG A 90 -11.417 -6.495 -6.025 1.00 0.00 O ATOM 1363 CB ARG A 90 -13.077 -5.103 -3.454 1.00 0.00 C ATOM 1364 CG ARG A 90 -12.533 -5.947 -2.290 1.00 0.00 C ATOM 1365 CD ARG A 90 -12.124 -7.373 -2.683 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.450 -8.045 -1.558 1.00 0.00 N ATOM 1367 CZ ARG A 90 -10.770 -9.172 -1.580 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -10.700 -9.944 -2.625 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.114 -9.509 -0.513 1.00 0.00 N ATOM 0 H ARG A 90 -12.782 -2.800 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.030 -5.001 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.508 -4.184 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.885 -5.649 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.670 -5.439 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.292 -6.001 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.005 -7.942 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.460 -7.342 -3.547 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.519 -7.581 -0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.187 -9.686 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.158 -10.807 -2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.135 -8.907 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.577 -10.376 -0.497 1.00 0.00 H new ATOM 1383 N THR A 91 -13.076 -5.130 -6.670 1.00 0.00 N ATOM 1384 CA THR A 91 -13.355 -5.702 -7.997 1.00 0.00 C ATOM 1385 C THR A 91 -12.148 -5.608 -8.938 1.00 0.00 C ATOM 1386 O THR A 91 -11.799 -6.584 -9.600 1.00 0.00 O ATOM 1387 CB THR A 91 -14.555 -4.967 -8.625 1.00 0.00 C ATOM 1388 OG1 THR A 91 -15.676 -5.021 -7.766 1.00 0.00 O ATOM 1389 CG2 THR A 91 -14.989 -5.550 -9.971 1.00 0.00 C ATOM 0 H THR A 91 -13.675 -4.331 -6.465 1.00 0.00 H new ATOM 0 HA THR A 91 -13.581 -6.760 -7.861 1.00 0.00 H new ATOM 0 HB THR A 91 -14.214 -3.943 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 91 -15.544 -4.404 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.838 -4.985 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.162 -5.488 -10.678 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.277 -6.593 -9.840 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.478 -4.451 -8.981 1.00 0.00 N ATOM 1398 CA GLU A 92 -10.249 -4.236 -9.762 1.00 0.00 C ATOM 1399 C GLU A 92 -9.101 -5.112 -9.233 1.00 0.00 C ATOM 1400 O GLU A 92 -8.435 -5.812 -9.992 1.00 0.00 O ATOM 1401 CB GLU A 92 -9.880 -2.743 -9.687 1.00 0.00 C ATOM 1402 CG GLU A 92 -8.650 -2.346 -10.530 1.00 0.00 C ATOM 1403 CD GLU A 92 -7.572 -1.541 -9.765 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -7.883 -0.853 -8.762 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -6.395 -1.570 -10.195 1.00 0.00 O ATOM 0 H GLU A 92 -11.777 -3.623 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.419 -4.522 -10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.736 -2.153 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.692 -2.480 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.193 -3.252 -10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.986 -1.757 -11.383 1.00 0.00 H new ATOM 1412 N MET A 93 -8.909 -5.138 -7.918 1.00 0.00 N ATOM 1413 CA MET A 93 -7.916 -5.970 -7.247 1.00 0.00 C ATOM 1414 C MET A 93 -8.131 -7.475 -7.487 1.00 0.00 C ATOM 1415 O MET A 93 -7.201 -8.228 -7.773 1.00 0.00 O ATOM 1416 CB MET A 93 -8.000 -5.641 -5.760 1.00 0.00 C ATOM 1417 CG MET A 93 -6.868 -6.312 -5.001 1.00 0.00 C ATOM 1418 SD MET A 93 -7.319 -7.836 -4.140 1.00 0.00 S ATOM 1419 CE MET A 93 -8.357 -7.071 -2.873 1.00 0.00 C ATOM 0 H MET A 93 -9.454 -4.566 -7.273 1.00 0.00 H new ATOM 0 HA MET A 93 -6.928 -5.753 -7.652 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.952 -4.561 -5.617 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.959 -5.972 -5.362 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.063 -6.534 -5.702 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.471 -5.605 -4.272 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.534 -7.784 -2.068 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.854 -6.190 -2.473 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.310 -6.776 -3.313 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.378 -7.923 -7.431 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.747 -9.311 -7.688 1.00 0.00 C ATOM 1431 C ASP A 94 -9.525 -9.708 -9.157 1.00 0.00 C ATOM 1432 O ASP A 94 -9.365 -10.888 -9.459 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.213 -9.551 -7.290 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.353 -10.178 -5.898 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -10.785 -11.272 -5.668 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -12.053 -9.608 -5.029 1.00 0.00 O ATOM 0 H ASP A 94 -10.173 -7.326 -7.203 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.097 -9.939 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.751 -8.603 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.683 -10.203 -8.026 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.479 -8.738 -10.075 1.00 0.00 N ATOM 1442 CA TRP A 95 -8.980 -8.925 -11.436 1.00 0.00 C ATOM 1443 C TRP A 95 -7.452 -9.078 -11.424 1.00 0.00 C ATOM 1444 O TRP A 95 -6.938 -10.108 -11.870 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.485 -7.760 -12.317 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.550 -7.115 -13.303 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -8.325 -5.784 -13.393 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -7.739 -7.718 -14.360 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -7.438 -5.522 -14.420 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -7.044 -6.680 -15.054 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -7.515 -9.038 -14.804 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -6.181 -6.938 -16.129 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -6.672 -9.309 -15.898 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -5.999 -8.264 -16.557 1.00 0.00 C ATOM 0 H TRP A 95 -9.793 -7.786 -9.888 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.365 -9.847 -11.871 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -10.348 -8.124 -12.875 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.845 -6.978 -11.649 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.773 -5.036 -12.756 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.116 -4.589 -14.676 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -8.000 -9.857 -14.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -5.663 -6.128 -16.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.541 -10.327 -16.234 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.345 -8.480 -17.389 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.707 -8.101 -10.892 1.00 0.00 N ATOM 1466 CA VAL A 96 -5.262 -8.004 -11.167 1.00 0.00 C ATOM 1467 C VAL A 96 -4.422 -9.118 -10.535 1.00 0.00 C ATOM 1468 O VAL A 96 -3.442 -9.555 -11.140 1.00 0.00 O ATOM 1469 CB VAL A 96 -4.684 -6.631 -10.775 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -5.345 -5.493 -11.550 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.742 -6.345 -9.279 1.00 0.00 C ATOM 0 H VAL A 96 -7.071 -7.374 -10.276 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.190 -8.128 -12.248 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.630 -6.683 -11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.908 -4.542 -11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.184 -5.639 -12.618 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.415 -5.485 -11.342 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.317 -5.361 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.779 -6.367 -8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.171 -7.102 -8.741 1.00 0.00 H new ATOM 1481 N LEU A 97 -4.810 -9.632 -9.359 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.130 -10.761 -8.706 1.00 0.00 C ATOM 1483 C LEU A 97 -4.358 -12.096 -9.442 1.00 0.00 C ATOM 1484 O LEU A 97 -3.556 -13.015 -9.280 1.00 0.00 O ATOM 1485 CB LEU A 97 -4.609 -10.907 -7.244 1.00 0.00 C ATOM 1486 CG LEU A 97 -3.957 -9.982 -6.195 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.301 -8.520 -6.364 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -4.502 -10.366 -4.816 1.00 0.00 C ATOM 0 H LEU A 97 -5.607 -9.275 -8.832 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.064 -10.537 -8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.685 -10.737 -7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.443 -11.939 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.881 -10.107 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.804 -7.937 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.968 -8.179 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.380 -8.388 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.055 -9.725 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.585 -10.241 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.255 -11.406 -4.604 1.00 0.00 H new ATOM 1500 N LYS A 98 -5.435 -12.224 -10.234 1.00 0.00 N ATOM 1501 CA LYS A 98 -6.027 -13.487 -10.711 1.00 0.00 C ATOM 1502 C LYS A 98 -6.073 -13.582 -12.241 1.00 0.00 C ATOM 1503 O LYS A 98 -6.614 -14.530 -12.808 1.00 0.00 O ATOM 1504 CB LYS A 98 -7.427 -13.614 -10.106 1.00 0.00 C ATOM 1505 CG LYS A 98 -7.355 -13.663 -8.576 1.00 0.00 C ATOM 1506 CD LYS A 98 -8.722 -13.896 -7.923 1.00 0.00 C ATOM 1507 CE LYS A 98 -8.524 -13.952 -6.407 1.00 0.00 C ATOM 1508 NZ LYS A 98 -9.815 -13.887 -5.677 1.00 0.00 N ATOM 0 H LYS A 98 -5.943 -11.409 -10.577 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.396 -14.314 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.041 -12.770 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.910 -14.516 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.673 -14.458 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.936 -12.727 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.411 -13.094 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.162 -14.826 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.004 -14.873 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.888 -13.125 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.697 -14.290 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.119 -12.896 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.535 -14.430 -6.196 1.00 0.00 H new ATOM 1522 N HIS A 99 -5.427 -12.616 -12.884 1.00 0.00 N ATOM 1523 CA HIS A 99 -5.073 -12.525 -14.304 1.00 0.00 C ATOM 1524 C HIS A 99 -4.515 -13.845 -14.901 1.00 0.00 C ATOM 1525 O HIS A 99 -4.728 -14.128 -16.080 1.00 0.00 O ATOM 1526 CB HIS A 99 -4.101 -11.333 -14.378 1.00 0.00 C ATOM 1527 CG HIS A 99 -3.436 -11.021 -15.692 1.00 0.00 C ATOM 1528 ND1 HIS A 99 -2.310 -10.243 -15.817 1.00 0.00 N ATOM 1529 CD2 HIS A 99 -3.906 -11.254 -16.959 1.00 0.00 C ATOM 1530 CE1 HIS A 99 -2.102 -10.012 -17.120 1.00 0.00 C ATOM 1531 NE2 HIS A 99 -3.045 -10.618 -17.865 1.00 0.00 N ATOM 0 H HIS A 99 -5.104 -11.792 -12.377 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.950 -12.363 -14.931 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.646 -10.443 -14.064 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.315 -11.502 -13.642 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.785 -11.827 -17.214 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.290 -9.421 -17.518 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.119 -10.615 -18.882 1.00 0.00 H new ATOM 1539 N SER A 100 -3.884 -14.703 -14.086 1.00 0.00 N ATOM 1540 CA SER A 100 -3.607 -16.128 -14.376 1.00 0.00 C ATOM 1541 C SER A 100 -3.755 -16.993 -13.106 1.00 0.00 C ATOM 1542 O SER A 100 -2.822 -17.691 -12.699 1.00 0.00 O ATOM 1543 CB SER A 100 -2.223 -16.301 -15.032 1.00 0.00 C ATOM 1544 OG SER A 100 -2.203 -15.773 -16.350 1.00 0.00 O ATOM 0 H SER A 100 -3.537 -14.418 -13.170 1.00 0.00 H new ATOM 0 HA SER A 100 -4.350 -16.478 -15.092 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.467 -15.801 -14.427 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.961 -17.359 -15.058 1.00 0.00 H new ATOM 0 HG SER A 100 -3.009 -15.236 -16.500 1.00 0.00 H new ATOM 1550 N GLY A 101 -4.907 -16.888 -12.426 1.00 0.00 N ATOM 1551 CA GLY A 101 -5.176 -17.483 -11.104 1.00 0.00 C ATOM 1552 C GLY A 101 -6.132 -18.691 -11.084 1.00 0.00 C ATOM 1553 O GLY A 101 -6.505 -19.176 -12.160 1.00 0.00 O ATOM 0 H GLY A 101 -5.705 -16.369 -12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.226 -17.791 -10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.589 -16.709 -10.457 1.00 0.00 H new ATOM 1557 N PRO A 102 -6.537 -19.213 -9.898 1.00 0.00 N ATOM 1558 CA PRO A 102 -6.305 -18.722 -8.522 1.00 0.00 C ATOM 1559 C PRO A 102 -4.900 -18.206 -8.158 1.00 0.00 C ATOM 1560 O PRO A 102 -4.814 -17.114 -7.559 1.00 0.00 O ATOM 1561 CB PRO A 102 -6.713 -19.882 -7.606 1.00 0.00 C ATOM 1562 CG PRO A 102 -7.832 -20.565 -8.384 1.00 0.00 C ATOM 1563 CD PRO A 102 -7.386 -20.401 -9.837 1.00 0.00 C ATOM 1564 OXT PRO A 102 -3.881 -18.857 -8.481 1.00 0.00 O ATOM 0 HA PRO A 102 -6.895 -17.813 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.880 -20.560 -7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.057 -19.526 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.933 -21.615 -8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.797 -20.093 -8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.839 -21.282 -10.173 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.249 -20.291 -10.494 1.00 0.00 H new TER 1572 PRO A 102