USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 772 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 107 LYS NZ :NH3+ 180:sc= -0.303 (180deg=0) USER MOD Set 1.2: A 111 GLN : amide:sc= -1.22 X(o=-1.5,f=-1.3!) USER MOD Set 2.1: A 69 CYS SG : rot -130:sc= -2.28 USER MOD Set 2.2: A 72 CYS SG : rot -39:sc= -1.27! USER MOD Set 2.3: A 85 HIS : no HD1:sc= -2.32 X(o=-19,f=-18) USER MOD Set 2.4: A 86 MET CE :methyl 151:sc= -5.12 (180deg=-2.92!) USER MOD Set 2.5: A 89 HIS : no HD1:sc= -7.65! C(o=-19!,f=-21!) USER MOD Set 3.1: A 38 CYS SG : rot 132:sc= -0.727 USER MOD Set 3.2: A 41 CYS SG : rot -68:sc= -1.69 USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= -0.584 F(o=-5.3,f=-3) USER MOD Set 4.1: A 14 HIS : no HE2:sc= -0.393 X(o=-7.5,f=-7.6) USER MOD Set 4.2: A 97 CYS SG : rot 148:sc= 1.09 USER MOD Set 4.3: A 100 CYS SG : rot -50:sc= -4.52! USER MOD Set 4.4: A 113 HIS : no HE2:sc= -3.4! X(o=-7.5!,f=-7.4) USER MOD Set 4.5: A 114 MET CE :methyl -122:sc= -0.248 (180deg=-0.689) USER MOD Set 4.6: A 118 HIS : no HD1:sc= -0.0633 K(o=-7.5,f=-8.3) USER MOD Set 5.1: A 10 CYS SG : rot 163:sc= 0.877 USER MOD Set 5.2: A 12 THR OG1 : rot 90:sc= 0.372 USER MOD Set 5.3: A 13 CYS SG : rot -39:sc= -1.94 USER MOD Set 5.4: A 26 HIS : no HE2:sc= -3.07! X(o=-3.8!,f=-4.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 25:sc= 0.00596 USER MOD Single : A 20 LYS NZ :NH3+ -116:sc= -3.12 (180deg=-6.99!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.931) USER MOD Single : A 27 ASN : amide:sc= -4.3! C(o=-4.3!,f=-8.4!) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 0.572 (180deg=0.144) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0.0247 (180deg=0.00181) USER MOD Single : A 44 CYS SG : rot 52:sc= 0.417 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= -0.638 (180deg=-1.05) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 58 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.73) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -39:sc= 0.662 USER MOD Single : A 73 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.036) USER MOD Single : A 75 THR OG1 : rot 38:sc= 0.0599 USER MOD Single : A 80 MET CE :methyl -162:sc= -2.42! (180deg=-3.4!) USER MOD Single : A 88 SER OG : rot -68:sc= 0.817 USER MOD Single : A 90 THR OG1 : rot -122:sc= -1.07 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -70:sc= 1.06 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 103 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 105 MET CE :methyl 134:sc= -1.98 (180deg=-3.78!) USER MOD Single : A 106 GLN : amide:sc=-0.00201 X(o=-0.002,f=-0.11) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0126) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 14.146 2.437 5.142 1.00 0.00 N ATOM 60 CA GLY A 7 12.842 2.065 5.658 1.00 0.00 C ATOM 61 C GLY A 7 11.750 2.183 4.613 1.00 0.00 C ATOM 62 O GLY A 7 12.001 2.612 3.487 1.00 0.00 O ATOM 0 HA2 GLY A 7 12.879 1.040 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.597 2.700 6.509 1.00 0.00 H new ATOM 66 N VAL A 8 10.533 1.800 4.986 1.00 0.00 N ATOM 67 CA VAL A 8 9.398 1.864 4.073 1.00 0.00 C ATOM 68 C VAL A 8 8.842 3.281 3.986 1.00 0.00 C ATOM 69 O VAL A 8 9.283 4.176 4.706 1.00 0.00 O ATOM 70 CB VAL A 8 8.272 0.908 4.509 1.00 0.00 C ATOM 71 CG1 VAL A 8 8.747 -0.536 4.454 1.00 0.00 C ATOM 72 CG2 VAL A 8 7.782 1.264 5.904 1.00 0.00 C ATOM 0 H VAL A 8 10.308 1.442 5.914 1.00 0.00 H new ATOM 0 HA VAL A 8 9.763 1.559 3.092 1.00 0.00 H new ATOM 0 HB VAL A 8 7.437 1.017 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.938 -1.197 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.045 -0.782 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.598 -0.665 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.987 0.578 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.608 1.184 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.400 2.285 5.906 1.00 0.00 H new ATOM 82 N GLU A 9 7.869 3.476 3.101 1.00 0.00 N ATOM 83 CA GLU A 9 7.252 4.785 2.921 1.00 0.00 C ATOM 84 C GLU A 9 5.751 4.651 2.686 1.00 0.00 C ATOM 85 O GLU A 9 5.299 3.752 1.975 1.00 0.00 O ATOM 86 CB GLU A 9 7.900 5.521 1.746 1.00 0.00 C ATOM 87 CG GLU A 9 7.241 6.852 1.424 1.00 0.00 C ATOM 88 CD GLU A 9 8.159 7.787 0.661 1.00 0.00 C ATOM 89 OE1 GLU A 9 8.864 7.310 -0.253 1.00 0.00 O ATOM 90 OE2 GLU A 9 8.172 8.995 0.977 1.00 0.00 O ATOM 0 H GLU A 9 7.492 2.745 2.498 1.00 0.00 H new ATOM 0 HA GLU A 9 7.409 5.361 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.953 5.691 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.862 4.883 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.340 6.675 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.928 7.332 2.351 1.00 0.00 H new ATOM 97 N CYS A 10 4.981 5.551 3.289 1.00 0.00 N ATOM 98 CA CYS A 10 3.530 5.535 3.147 1.00 0.00 C ATOM 99 C CYS A 10 3.095 6.317 1.911 1.00 0.00 C ATOM 100 O CYS A 10 3.284 7.529 1.814 1.00 0.00 O ATOM 101 CB CYS A 10 2.869 6.123 4.395 1.00 0.00 C ATOM 102 SG CYS A 10 1.054 6.238 4.290 1.00 0.00 S ATOM 0 H CYS A 10 5.338 6.301 3.881 1.00 0.00 H new ATOM 0 HA CYS A 10 3.213 4.499 3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.134 5.510 5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.276 7.118 4.574 1.00 0.00 H new ATOM 0 HG CYS A 10 0.559 6.385 5.483 1.00 0.00 H new ATOM 107 N PRO A 11 2.498 5.607 0.942 1.00 0.00 N ATOM 108 CA PRO A 11 2.023 6.213 -0.305 1.00 0.00 C ATOM 109 C PRO A 11 0.814 7.117 -0.087 1.00 0.00 C ATOM 110 O PRO A 11 0.231 7.634 -1.041 1.00 0.00 O ATOM 111 CB PRO A 11 1.640 5.005 -1.163 1.00 0.00 C ATOM 112 CG PRO A 11 1.327 3.928 -0.183 1.00 0.00 C ATOM 113 CD PRO A 11 2.240 4.158 0.990 1.00 0.00 C ATOM 0 HA PRO A 11 2.778 6.854 -0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.781 5.226 -1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.457 4.714 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.281 3.970 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.493 2.943 -0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.770 3.864 1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.161 3.583 0.901 1.00 0.00 H new ATOM 121 N THR A 12 0.441 7.304 1.175 1.00 0.00 N ATOM 122 CA THR A 12 -0.698 8.145 1.519 1.00 0.00 C ATOM 123 C THR A 12 -0.244 9.517 2.003 1.00 0.00 C ATOM 124 O THR A 12 -0.684 10.545 1.488 1.00 0.00 O ATOM 125 CB THR A 12 -1.570 7.492 2.608 1.00 0.00 C ATOM 126 OG1 THR A 12 -1.636 6.077 2.400 1.00 0.00 O ATOM 127 CG2 THR A 12 -2.974 8.077 2.601 1.00 0.00 C ATOM 0 H THR A 12 0.912 6.884 1.976 1.00 0.00 H new ATOM 0 HA THR A 12 -1.289 8.261 0.611 1.00 0.00 H new ATOM 0 HB THR A 12 -1.114 7.695 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.901 5.641 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.571 7.600 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.922 9.149 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.436 7.901 1.630 1.00 0.00 H new ATOM 135 N CYS A 13 0.640 9.526 2.995 1.00 0.00 N ATOM 136 CA CYS A 13 1.155 10.773 3.549 1.00 0.00 C ATOM 137 C CYS A 13 2.667 10.868 3.361 1.00 0.00 C ATOM 138 O CYS A 13 3.316 11.761 3.906 1.00 0.00 O ATOM 139 CB CYS A 13 0.808 10.877 5.035 1.00 0.00 C ATOM 140 SG CYS A 13 1.430 9.492 6.043 1.00 0.00 S ATOM 0 H CYS A 13 1.015 8.684 3.432 1.00 0.00 H new ATOM 0 HA CYS A 13 0.687 11.600 3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.214 11.809 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.275 10.932 5.141 1.00 0.00 H new ATOM 0 HG CYS A 13 1.296 8.380 5.383 1.00 0.00 H new ATOM 145 N HIS A 14 3.220 9.940 2.586 1.00 0.00 N ATOM 146 CA HIS A 14 4.655 9.920 2.325 1.00 0.00 C ATOM 147 C HIS A 14 5.442 9.775 3.624 1.00 0.00 C ATOM 148 O HIS A 14 6.601 10.183 3.710 1.00 0.00 O ATOM 149 CB HIS A 14 5.081 11.195 1.597 1.00 0.00 C ATOM 150 CG HIS A 14 4.431 11.365 0.258 1.00 0.00 C ATOM 151 ND1 HIS A 14 4.435 10.384 -0.711 1.00 0.00 N ATOM 152 CD2 HIS A 14 3.752 12.410 -0.270 1.00 0.00 C ATOM 153 CE1 HIS A 14 3.789 10.819 -1.778 1.00 0.00 C ATOM 154 NE2 HIS A 14 3.364 12.046 -1.536 1.00 0.00 N ATOM 0 H HIS A 14 2.697 9.193 2.129 1.00 0.00 H new ATOM 0 HA HIS A 14 4.871 9.060 1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.842 12.057 2.220 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.163 11.186 1.468 1.00 0.00 H new ATOM 0 HD1 HIS A 14 4.869 9.466 -0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.552 13.354 0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.635 10.266 -2.693 1.00 0.00 H new ATOM 162 N LYS A 15 4.805 9.193 4.635 1.00 0.00 N ATOM 163 CA LYS A 15 5.443 8.994 5.930 1.00 0.00 C ATOM 164 C LYS A 15 6.243 7.695 5.948 1.00 0.00 C ATOM 165 O LYS A 15 5.694 6.612 5.743 1.00 0.00 O ATOM 166 CB LYS A 15 4.393 8.974 7.042 1.00 0.00 C ATOM 167 CG LYS A 15 4.985 8.871 8.437 1.00 0.00 C ATOM 168 CD LYS A 15 4.007 9.353 9.495 1.00 0.00 C ATOM 169 CE LYS A 15 4.727 9.786 10.763 1.00 0.00 C ATOM 170 NZ LYS A 15 3.930 10.772 11.544 1.00 0.00 N ATOM 0 H LYS A 15 3.846 8.851 4.581 1.00 0.00 H new ATOM 0 HA LYS A 15 6.128 9.825 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.791 9.881 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.720 8.132 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.262 7.836 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.900 9.462 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.426 10.187 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.301 8.556 9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.930 8.912 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.691 10.223 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.455 11.042 12.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.757 11.617 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.021 10.346 11.815 1.00 0.00 H new ATOM 184 N LYS A 16 7.543 7.809 6.196 1.00 0.00 N ATOM 185 CA LYS A 16 8.419 6.644 6.245 1.00 0.00 C ATOM 186 C LYS A 16 8.592 6.153 7.678 1.00 0.00 C ATOM 187 O LYS A 16 8.407 6.910 8.631 1.00 0.00 O ATOM 188 CB LYS A 16 9.784 6.982 5.641 1.00 0.00 C ATOM 189 CG LYS A 16 9.725 7.345 4.168 1.00 0.00 C ATOM 190 CD LYS A 16 11.023 6.999 3.456 1.00 0.00 C ATOM 191 CE LYS A 16 11.155 7.753 2.142 1.00 0.00 C ATOM 192 NZ LYS A 16 12.539 7.679 1.597 1.00 0.00 N ATOM 0 H LYS A 16 8.014 8.697 6.366 1.00 0.00 H new ATOM 0 HA LYS A 16 7.957 5.848 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.221 7.814 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.450 6.129 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.897 6.817 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.524 8.411 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.868 7.239 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.061 5.926 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.456 7.341 1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.879 8.797 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.588 8.205 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.204 8.096 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.793 6.685 1.429 1.00 0.00 H new ATOM 206 N PHE A 17 8.949 4.881 7.824 1.00 0.00 N ATOM 207 CA PHE A 17 9.148 4.289 9.141 1.00 0.00 C ATOM 208 C PHE A 17 10.402 3.420 9.164 1.00 0.00 C ATOM 209 O PHE A 17 11.039 3.202 8.132 1.00 0.00 O ATOM 210 CB PHE A 17 7.928 3.455 9.538 1.00 0.00 C ATOM 211 CG PHE A 17 6.645 4.236 9.549 1.00 0.00 C ATOM 212 CD1 PHE A 17 6.062 4.651 8.362 1.00 0.00 C ATOM 213 CD2 PHE A 17 6.023 4.555 10.744 1.00 0.00 C ATOM 214 CE1 PHE A 17 4.882 5.370 8.368 1.00 0.00 C ATOM 215 CE2 PHE A 17 4.842 5.273 10.756 1.00 0.00 C ATOM 216 CZ PHE A 17 4.271 5.682 9.567 1.00 0.00 C ATOM 0 H PHE A 17 9.106 4.241 7.046 1.00 0.00 H new ATOM 0 HA PHE A 17 9.276 5.098 9.860 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.829 2.619 8.846 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.094 3.031 10.528 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.535 4.410 7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.466 4.239 11.677 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.438 5.688 7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.366 5.514 11.695 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.349 6.244 9.575 1.00 0.00 H new ATOM 226 N LEU A 18 10.751 2.925 10.346 1.00 0.00 N ATOM 227 CA LEU A 18 11.929 2.079 10.504 1.00 0.00 C ATOM 228 C LEU A 18 11.673 0.681 9.951 1.00 0.00 C ATOM 229 O LEU A 18 12.567 0.056 9.379 1.00 0.00 O ATOM 230 CB LEU A 18 12.324 1.992 11.980 1.00 0.00 C ATOM 231 CG LEU A 18 11.211 1.595 12.950 1.00 0.00 C ATOM 232 CD1 LEU A 18 11.782 0.824 14.130 1.00 0.00 C ATOM 233 CD2 LEU A 18 10.456 2.826 13.430 1.00 0.00 C ATOM 0 H LEU A 18 10.235 3.095 11.209 1.00 0.00 H new ATOM 0 HA LEU A 18 12.747 2.528 9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.136 1.272 12.076 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.718 2.960 12.288 1.00 0.00 H new ATOM 0 HG LEU A 18 10.510 0.947 12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.975 0.550 14.810 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.276 -0.079 13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.504 1.448 14.657 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.668 2.524 14.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 11.145 3.500 13.940 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.014 3.338 12.575 1.00 0.00 H new ATOM 245 N SER A 19 10.448 0.197 10.124 1.00 0.00 N ATOM 246 CA SER A 19 10.075 -1.129 9.643 1.00 0.00 C ATOM 247 C SER A 19 8.646 -1.130 9.108 1.00 0.00 C ATOM 248 O SER A 19 7.839 -0.269 9.456 1.00 0.00 O ATOM 249 CB SER A 19 10.212 -2.159 10.766 1.00 0.00 C ATOM 250 OG SER A 19 11.536 -2.661 10.838 1.00 0.00 O ATOM 0 H SER A 19 9.697 0.702 10.593 1.00 0.00 H new ATOM 0 HA SER A 19 10.749 -1.397 8.830 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.940 -1.702 11.718 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.517 -2.981 10.597 1.00 0.00 H new ATOM 0 HG SER A 19 12.156 -2.006 10.454 1.00 0.00 H new ATOM 256 N LYS A 20 8.340 -2.106 8.259 1.00 0.00 N ATOM 257 CA LYS A 20 7.009 -2.223 7.675 1.00 0.00 C ATOM 258 C LYS A 20 5.943 -2.308 8.763 1.00 0.00 C ATOM 259 O LYS A 20 4.948 -1.584 8.728 1.00 0.00 O ATOM 260 CB LYS A 20 6.932 -3.457 6.773 1.00 0.00 C ATOM 261 CG LYS A 20 5.789 -3.410 5.774 1.00 0.00 C ATOM 262 CD LYS A 20 6.118 -2.514 4.593 1.00 0.00 C ATOM 263 CE LYS A 20 6.840 -3.280 3.495 1.00 0.00 C ATOM 264 NZ LYS A 20 8.305 -3.366 3.751 1.00 0.00 N ATOM 0 H LYS A 20 8.996 -2.827 7.960 1.00 0.00 H new ATOM 0 HA LYS A 20 6.822 -1.331 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.872 -3.560 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.823 -4.345 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.574 -4.418 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.888 -3.047 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.199 -2.084 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.739 -1.683 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.425 -4.285 3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.667 -2.791 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.819 -2.858 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.522 -2.937 4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.599 -4.364 3.756 1.00 0.00 H new ATOM 278 N TYR A 21 6.159 -3.195 9.728 1.00 0.00 N ATOM 279 CA TYR A 21 5.217 -3.374 10.826 1.00 0.00 C ATOM 280 C TYR A 21 4.585 -2.044 11.225 1.00 0.00 C ATOM 281 O TYR A 21 3.362 -1.908 11.253 1.00 0.00 O ATOM 282 CB TYR A 21 5.919 -4.000 12.032 1.00 0.00 C ATOM 283 CG TYR A 21 5.064 -4.036 13.279 1.00 0.00 C ATOM 284 CD1 TYR A 21 4.110 -5.029 13.462 1.00 0.00 C ATOM 285 CD2 TYR A 21 5.213 -3.078 14.274 1.00 0.00 C ATOM 286 CE1 TYR A 21 3.326 -5.065 14.599 1.00 0.00 C ATOM 287 CE2 TYR A 21 4.435 -3.107 15.415 1.00 0.00 C ATOM 288 CZ TYR A 21 3.493 -4.102 15.573 1.00 0.00 C ATOM 289 OH TYR A 21 2.715 -4.136 16.708 1.00 0.00 O ATOM 0 H TYR A 21 6.978 -3.801 9.772 1.00 0.00 H new ATOM 0 HA TYR A 21 4.427 -4.043 10.486 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.221 -5.016 11.779 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.830 -3.440 12.242 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.979 -5.786 12.703 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.950 -2.297 14.153 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.587 -5.842 14.725 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.564 -2.355 16.179 1.00 0.00 H new ATOM 0 HH TYR A 21 2.958 -3.389 17.294 1.00 0.00 H new ATOM 299 N TYR A 22 5.429 -1.065 11.532 1.00 0.00 N ATOM 300 CA TYR A 22 4.955 0.255 11.931 1.00 0.00 C ATOM 301 C TYR A 22 4.105 0.884 10.832 1.00 0.00 C ATOM 302 O TYR A 22 3.053 1.466 11.101 1.00 0.00 O ATOM 303 CB TYR A 22 6.139 1.166 12.261 1.00 0.00 C ATOM 304 CG TYR A 22 6.667 0.988 13.666 1.00 0.00 C ATOM 305 CD1 TYR A 22 5.810 1.008 14.759 1.00 0.00 C ATOM 306 CD2 TYR A 22 8.024 0.802 13.901 1.00 0.00 C ATOM 307 CE1 TYR A 22 6.288 0.846 16.045 1.00 0.00 C ATOM 308 CE2 TYR A 22 8.511 0.638 15.183 1.00 0.00 C ATOM 309 CZ TYR A 22 7.639 0.661 16.252 1.00 0.00 C ATOM 310 OH TYR A 22 8.120 0.500 17.531 1.00 0.00 O ATOM 0 H TYR A 22 6.444 -1.161 11.512 1.00 0.00 H new ATOM 0 HA TYR A 22 4.336 0.138 12.821 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.944 0.972 11.552 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.837 2.204 12.124 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.752 1.153 14.601 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.710 0.785 13.067 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.608 0.864 16.884 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.568 0.493 15.348 1.00 0.00 H new ATOM 0 HH TYR A 22 9.092 0.380 17.502 1.00 0.00 H new ATOM 320 N LEU A 23 4.567 0.763 9.593 1.00 0.00 N ATOM 321 CA LEU A 23 3.850 1.318 8.450 1.00 0.00 C ATOM 322 C LEU A 23 2.427 0.773 8.383 1.00 0.00 C ATOM 323 O LEU A 23 1.477 1.516 8.137 1.00 0.00 O ATOM 324 CB LEU A 23 4.593 0.998 7.152 1.00 0.00 C ATOM 325 CG LEU A 23 3.980 1.565 5.871 1.00 0.00 C ATOM 326 CD1 LEU A 23 4.167 3.073 5.812 1.00 0.00 C ATOM 327 CD2 LEU A 23 4.594 0.902 4.647 1.00 0.00 C ATOM 0 H LEU A 23 5.436 0.285 9.354 1.00 0.00 H new ATOM 0 HA LEU A 23 3.799 2.400 8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.613 1.372 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.658 -0.085 7.051 1.00 0.00 H new ATOM 0 HG LEU A 23 2.911 1.352 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.725 3.459 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.680 3.534 6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.231 3.309 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.146 1.318 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.669 1.084 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.408 -0.171 4.683 1.00 0.00 H new ATOM 339 N LYS A 24 2.287 -0.530 8.606 1.00 0.00 N ATOM 340 CA LYS A 24 0.980 -1.176 8.574 1.00 0.00 C ATOM 341 C LYS A 24 0.052 -0.577 9.626 1.00 0.00 C ATOM 342 O LYS A 24 -0.964 0.035 9.295 1.00 0.00 O ATOM 343 CB LYS A 24 1.127 -2.681 8.806 1.00 0.00 C ATOM 344 CG LYS A 24 1.898 -3.394 7.708 1.00 0.00 C ATOM 345 CD LYS A 24 0.990 -3.784 6.553 1.00 0.00 C ATOM 346 CE LYS A 24 1.714 -4.670 5.551 1.00 0.00 C ATOM 347 NZ LYS A 24 2.643 -3.888 4.688 1.00 0.00 N ATOM 0 H LYS A 24 3.063 -1.159 8.811 1.00 0.00 H new ATOM 0 HA LYS A 24 0.542 -1.007 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.631 -2.846 9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.135 -3.126 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.695 -2.747 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.373 -4.286 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.115 -4.307 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.630 -2.885 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.274 -5.439 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.983 -5.184 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.452 -4.484 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.142 -3.577 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.984 -3.056 5.210 1.00 0.00 H new ATOM 361 N VAL A 25 0.408 -0.756 10.894 1.00 0.00 N ATOM 362 CA VAL A 25 -0.392 -0.231 11.994 1.00 0.00 C ATOM 363 C VAL A 25 -0.760 1.229 11.758 1.00 0.00 C ATOM 364 O VAL A 25 -1.852 1.672 12.116 1.00 0.00 O ATOM 365 CB VAL A 25 0.353 -0.351 13.337 1.00 0.00 C ATOM 366 CG1 VAL A 25 -0.496 0.206 14.470 1.00 0.00 C ATOM 367 CG2 VAL A 25 0.734 -1.799 13.607 1.00 0.00 C ATOM 0 H VAL A 25 1.245 -1.261 11.185 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.302 -0.829 12.037 1.00 0.00 H new ATOM 0 HB VAL A 25 1.269 0.237 13.279 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.046 0.113 15.411 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.713 1.257 14.279 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.430 -0.352 14.533 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.259 -1.865 14.560 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.167 -2.411 13.646 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.383 -2.159 12.809 1.00 0.00 H new ATOM 377 N HIS A 26 0.159 1.975 11.152 1.00 0.00 N ATOM 378 CA HIS A 26 -0.069 3.387 10.867 1.00 0.00 C ATOM 379 C HIS A 26 -1.103 3.557 9.758 1.00 0.00 C ATOM 380 O HIS A 26 -2.173 4.124 9.976 1.00 0.00 O ATOM 381 CB HIS A 26 1.241 4.066 10.467 1.00 0.00 C ATOM 382 CG HIS A 26 1.058 5.206 9.512 1.00 0.00 C ATOM 383 ND1 HIS A 26 1.005 6.523 9.915 1.00 0.00 N ATOM 384 CD2 HIS A 26 0.917 5.219 8.166 1.00 0.00 C ATOM 385 CE1 HIS A 26 0.837 7.298 8.858 1.00 0.00 C ATOM 386 NE2 HIS A 26 0.782 6.531 7.784 1.00 0.00 N ATOM 0 H HIS A 26 1.068 1.625 10.849 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.452 3.858 11.772 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.740 4.431 11.365 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.901 3.326 10.014 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.083 6.849 10.878 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.912 4.358 7.514 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.758 8.375 8.870 1.00 0.00 H new ATOM 394 N ASN A 27 -0.775 3.063 8.569 1.00 0.00 N ATOM 395 CA ASN A 27 -1.675 3.162 7.425 1.00 0.00 C ATOM 396 C ASN A 27 -3.116 2.884 7.842 1.00 0.00 C ATOM 397 O ASN A 27 -4.016 3.679 7.571 1.00 0.00 O ATOM 398 CB ASN A 27 -1.251 2.182 6.330 1.00 0.00 C ATOM 399 CG ASN A 27 -1.938 0.836 6.460 1.00 0.00 C ATOM 400 OD1 ASN A 27 -1.338 -0.138 6.913 1.00 0.00 O ATOM 401 ND2 ASN A 27 -3.204 0.777 6.062 1.00 0.00 N ATOM 0 H ASN A 27 0.107 2.590 8.372 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.617 4.178 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.480 2.611 5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.171 2.041 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.718 -0.102 6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.662 1.610 5.693 1.00 0.00 H new ATOM 543 N PHE A 36 -11.758 -8.282 10.761 1.00 0.00 N ATOM 544 CA PHE A 36 -11.721 -9.695 10.402 1.00 0.00 C ATOM 545 C PHE A 36 -11.238 -9.879 8.967 1.00 0.00 C ATOM 546 O PHE A 36 -11.326 -8.964 8.149 1.00 0.00 O ATOM 547 CB PHE A 36 -13.107 -10.322 10.570 1.00 0.00 C ATOM 548 CG PHE A 36 -13.736 -10.038 11.904 1.00 0.00 C ATOM 549 CD1 PHE A 36 -13.468 -10.846 12.997 1.00 0.00 C ATOM 550 CD2 PHE A 36 -14.595 -8.962 12.064 1.00 0.00 C ATOM 551 CE1 PHE A 36 -14.046 -10.587 14.225 1.00 0.00 C ATOM 552 CE2 PHE A 36 -15.176 -8.698 13.291 1.00 0.00 C ATOM 553 CZ PHE A 36 -14.900 -9.511 14.373 1.00 0.00 C ATOM 0 HA PHE A 36 -11.020 -10.196 11.070 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -13.763 -9.951 9.782 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.027 -11.401 10.437 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.800 -11.688 12.888 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -14.813 -8.323 11.221 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -13.830 -11.225 15.069 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -15.845 -7.857 13.403 1.00 0.00 H new ATOM 0 HZ PHE A 36 -15.351 -9.306 15.333 1.00 0.00 H new ATOM 563 N GLU A 37 -10.725 -11.069 8.669 1.00 0.00 N ATOM 564 CA GLU A 37 -10.226 -11.373 7.333 1.00 0.00 C ATOM 565 C GLU A 37 -9.976 -12.869 7.172 1.00 0.00 C ATOM 566 O GLU A 37 -9.393 -13.510 8.048 1.00 0.00 O ATOM 567 CB GLU A 37 -8.937 -10.596 7.057 1.00 0.00 C ATOM 568 CG GLU A 37 -8.382 -10.814 5.659 1.00 0.00 C ATOM 569 CD GLU A 37 -7.046 -10.129 5.449 1.00 0.00 C ATOM 570 OE1 GLU A 37 -6.013 -10.707 5.844 1.00 0.00 O ATOM 571 OE2 GLU A 37 -7.034 -9.013 4.887 1.00 0.00 O ATOM 0 H GLU A 37 -10.644 -11.838 9.335 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.986 -11.070 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.126 -9.532 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.183 -10.888 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.270 -11.883 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.097 -10.440 4.926 1.00 0.00 H new ATOM 578 N CYS A 38 -10.421 -13.421 6.048 1.00 0.00 N ATOM 579 CA CYS A 38 -10.247 -14.841 5.772 1.00 0.00 C ATOM 580 C CYS A 38 -8.800 -15.267 6.002 1.00 0.00 C ATOM 581 O CYS A 38 -7.891 -14.898 5.258 1.00 0.00 O ATOM 582 CB CYS A 38 -10.659 -15.157 4.333 1.00 0.00 C ATOM 583 SG CYS A 38 -11.145 -16.891 4.061 1.00 0.00 S ATOM 0 H CYS A 38 -10.905 -12.905 5.313 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.885 -15.399 6.457 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.491 -14.510 4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.830 -14.915 3.668 1.00 0.00 H new ATOM 0 HG CYS A 38 -12.272 -16.929 3.415 1.00 0.00 H new ATOM 588 N PRO A 39 -8.578 -16.063 7.059 1.00 0.00 N ATOM 589 CA PRO A 39 -7.244 -16.558 7.413 1.00 0.00 C ATOM 590 C PRO A 39 -6.720 -17.579 6.409 1.00 0.00 C ATOM 591 O PRO A 39 -5.620 -18.109 6.564 1.00 0.00 O ATOM 592 CB PRO A 39 -7.459 -17.212 8.780 1.00 0.00 C ATOM 593 CG PRO A 39 -8.900 -17.592 8.795 1.00 0.00 C ATOM 594 CD PRO A 39 -9.614 -16.542 7.990 1.00 0.00 C ATOM 0 HA PRO A 39 -6.501 -15.760 7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.818 -18.084 8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.223 -16.522 9.590 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.047 -18.582 8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.283 -17.629 9.815 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.471 -16.956 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.989 -15.737 8.622 1.00 0.00 H new ATOM 602 N LYS A 40 -7.515 -17.852 5.380 1.00 0.00 N ATOM 603 CA LYS A 40 -7.131 -18.810 4.349 1.00 0.00 C ATOM 604 C LYS A 40 -6.570 -18.094 3.124 1.00 0.00 C ATOM 605 O LYS A 40 -5.595 -18.545 2.522 1.00 0.00 O ATOM 606 CB LYS A 40 -8.334 -19.666 3.947 1.00 0.00 C ATOM 607 CG LYS A 40 -8.911 -20.480 5.092 1.00 0.00 C ATOM 608 CD LYS A 40 -9.825 -21.584 4.586 1.00 0.00 C ATOM 609 CE LYS A 40 -11.250 -21.087 4.400 1.00 0.00 C ATOM 610 NZ LYS A 40 -12.005 -21.919 3.423 1.00 0.00 N ATOM 0 H LYS A 40 -8.430 -17.423 5.237 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.354 -19.456 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.112 -19.018 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.037 -20.342 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.100 -20.916 5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.467 -19.824 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.445 -21.966 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.818 -22.415 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.766 -21.096 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.232 -20.052 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.739 -21.339 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.352 -22.283 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.452 -22.716 3.919 1.00 0.00 H new ATOM 624 N CYS A 41 -7.191 -16.977 2.761 1.00 0.00 N ATOM 625 CA CYS A 41 -6.753 -16.198 1.609 1.00 0.00 C ATOM 626 C CYS A 41 -6.355 -14.785 2.027 1.00 0.00 C ATOM 627 O CYS A 41 -5.332 -14.262 1.588 1.00 0.00 O ATOM 628 CB CYS A 41 -7.862 -16.138 0.557 1.00 0.00 C ATOM 629 SG CYS A 41 -9.404 -15.365 1.145 1.00 0.00 S ATOM 0 H CYS A 41 -8.000 -16.591 3.248 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.880 -16.690 1.179 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.498 -15.584 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.082 -17.150 0.218 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.964 -16.133 2.031 1.00 0.00 H new ATOM 634 N GLY A 42 -7.173 -14.174 2.878 1.00 0.00 N ATOM 635 CA GLY A 42 -6.890 -12.828 3.341 1.00 0.00 C ATOM 636 C GLY A 42 -7.944 -11.830 2.903 1.00 0.00 C ATOM 637 O GLY A 42 -7.643 -10.659 2.671 1.00 0.00 O ATOM 0 H GLY A 42 -8.026 -14.587 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.824 -12.828 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.917 -12.514 2.962 1.00 0.00 H new ATOM 641 N LYS A 43 -9.183 -12.294 2.786 1.00 0.00 N ATOM 642 CA LYS A 43 -10.287 -11.436 2.372 1.00 0.00 C ATOM 643 C LYS A 43 -10.984 -10.823 3.583 1.00 0.00 C ATOM 644 O LYS A 43 -11.643 -11.524 4.351 1.00 0.00 O ATOM 645 CB LYS A 43 -11.294 -12.231 1.539 1.00 0.00 C ATOM 646 CG LYS A 43 -12.456 -11.396 1.029 1.00 0.00 C ATOM 647 CD LYS A 43 -12.026 -10.469 -0.095 1.00 0.00 C ATOM 648 CE LYS A 43 -12.874 -9.207 -0.132 1.00 0.00 C ATOM 649 NZ LYS A 43 -12.376 -8.176 0.821 1.00 0.00 N ATOM 0 H LYS A 43 -9.448 -13.261 2.972 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.878 -10.629 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.778 -12.677 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.684 -13.051 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.250 -12.054 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.870 -10.808 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.978 -10.200 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.106 -10.990 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.873 -8.798 -1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.907 -9.456 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.753 -7.244 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.690 -8.413 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.337 -8.150 0.793 1.00 0.00 H new ATOM 663 N CYS A 44 -10.834 -9.513 3.745 1.00 0.00 N ATOM 664 CA CYS A 44 -11.451 -8.807 4.863 1.00 0.00 C ATOM 665 C CYS A 44 -12.971 -8.913 4.801 1.00 0.00 C ATOM 666 O CYS A 44 -13.538 -9.254 3.763 1.00 0.00 O ATOM 667 CB CYS A 44 -11.029 -7.337 4.858 1.00 0.00 C ATOM 668 SG CYS A 44 -9.528 -6.995 5.806 1.00 0.00 S ATOM 0 H CYS A 44 -10.292 -8.919 3.118 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.111 -9.273 5.788 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.875 -7.018 3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.844 -6.735 5.259 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.581 -7.799 5.424 1.00 0.00 H new ATOM 674 N TYR A 45 -13.625 -8.620 5.920 1.00 0.00 N ATOM 675 CA TYR A 45 -15.079 -8.687 5.995 1.00 0.00 C ATOM 676 C TYR A 45 -15.597 -7.936 7.218 1.00 0.00 C ATOM 677 O TYR A 45 -15.141 -8.162 8.339 1.00 0.00 O ATOM 678 CB TYR A 45 -15.542 -10.144 6.044 1.00 0.00 C ATOM 679 CG TYR A 45 -15.818 -10.738 4.681 1.00 0.00 C ATOM 680 CD1 TYR A 45 -17.053 -10.570 4.066 1.00 0.00 C ATOM 681 CD2 TYR A 45 -14.845 -11.468 4.010 1.00 0.00 C ATOM 682 CE1 TYR A 45 -17.310 -11.112 2.821 1.00 0.00 C ATOM 683 CE2 TYR A 45 -15.093 -12.011 2.764 1.00 0.00 C ATOM 684 CZ TYR A 45 -16.327 -11.831 2.174 1.00 0.00 C ATOM 685 OH TYR A 45 -16.578 -12.372 0.934 1.00 0.00 O ATOM 0 H TYR A 45 -13.171 -8.334 6.787 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.485 -8.213 5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -14.780 -10.742 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -16.446 -10.209 6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -17.825 -10.007 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.879 -11.613 4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -18.275 -10.973 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.325 -12.574 2.254 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.781 -12.847 0.617 1.00 0.00 H new ATOM 695 N PHE A 46 -16.553 -7.041 6.993 1.00 0.00 N ATOM 696 CA PHE A 46 -17.134 -6.255 8.075 1.00 0.00 C ATOM 697 C PHE A 46 -17.752 -7.162 9.135 1.00 0.00 C ATOM 698 O PHE A 46 -17.419 -7.071 10.317 1.00 0.00 O ATOM 699 CB PHE A 46 -18.193 -5.297 7.527 1.00 0.00 C ATOM 700 CG PHE A 46 -19.227 -4.900 8.542 1.00 0.00 C ATOM 701 CD1 PHE A 46 -18.955 -3.916 9.479 1.00 0.00 C ATOM 702 CD2 PHE A 46 -20.470 -5.512 8.560 1.00 0.00 C ATOM 703 CE1 PHE A 46 -19.904 -3.549 10.414 1.00 0.00 C ATOM 704 CE2 PHE A 46 -21.423 -5.149 9.493 1.00 0.00 C ATOM 705 CZ PHE A 46 -21.139 -4.167 10.422 1.00 0.00 C ATOM 0 H PHE A 46 -16.942 -6.842 6.071 1.00 0.00 H new ATOM 0 HA PHE A 46 -16.335 -5.676 8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -17.700 -4.400 7.152 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -18.690 -5.766 6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -17.990 -3.430 9.479 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -20.697 -6.281 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -19.680 -2.779 11.138 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -22.389 -5.633 9.496 1.00 0.00 H new ATOM 0 HZ PHE A 46 -21.881 -3.883 11.153 1.00 0.00 H new ATOM 715 N ARG A 47 -18.656 -8.036 8.703 1.00 0.00 N ATOM 716 CA ARG A 47 -19.323 -8.958 9.614 1.00 0.00 C ATOM 717 C ARG A 47 -18.749 -10.366 9.478 1.00 0.00 C ATOM 718 O ARG A 47 -18.646 -10.902 8.375 1.00 0.00 O ATOM 719 CB ARG A 47 -20.827 -8.980 9.340 1.00 0.00 C ATOM 720 CG ARG A 47 -21.496 -10.291 9.719 1.00 0.00 C ATOM 721 CD ARG A 47 -22.883 -10.062 10.299 1.00 0.00 C ATOM 722 NE ARG A 47 -22.896 -8.976 11.275 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.379 -9.078 12.495 1.00 0.00 C ATOM 724 NH1 ARG A 47 -21.811 -10.211 12.885 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.428 -8.046 13.327 1.00 0.00 N ATOM 0 H ARG A 47 -18.943 -8.125 7.728 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.152 -8.611 10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -21.300 -8.168 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -20.998 -8.788 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -21.569 -10.931 8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.879 -10.819 10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -23.580 -9.833 9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -23.234 -10.979 10.772 1.00 0.00 H new ATOM 0 HE ARG A 47 -23.325 -8.091 11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.770 -11.007 12.248 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -21.415 -10.287 13.822 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.863 -7.172 13.031 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.031 -8.126 14.263 1.00 0.00 H new ATOM 739 N LYS A 48 -18.377 -10.959 10.608 1.00 0.00 N ATOM 740 CA LYS A 48 -17.815 -12.304 10.617 1.00 0.00 C ATOM 741 C LYS A 48 -18.748 -13.288 9.918 1.00 0.00 C ATOM 742 O LYS A 48 -18.312 -14.091 9.093 1.00 0.00 O ATOM 743 CB LYS A 48 -17.557 -12.762 12.054 1.00 0.00 C ATOM 744 CG LYS A 48 -16.971 -14.160 12.152 1.00 0.00 C ATOM 745 CD LYS A 48 -15.454 -14.134 12.081 1.00 0.00 C ATOM 746 CE LYS A 48 -14.853 -15.463 12.514 1.00 0.00 C ATOM 747 NZ LYS A 48 -14.755 -16.423 11.379 1.00 0.00 N ATOM 0 H LYS A 48 -18.455 -10.529 11.529 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.870 -12.279 10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.877 -12.058 12.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.494 -12.730 12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.285 -14.622 13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.364 -14.778 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.140 -13.906 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.072 -13.336 12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.861 -15.294 12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.464 -15.897 13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.909 -17.390 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.477 -16.193 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.810 -16.357 10.949 1.00 0.00 H new ATOM 761 N GLU A 49 -20.032 -13.219 10.253 1.00 0.00 N ATOM 762 CA GLU A 49 -21.025 -14.105 9.656 1.00 0.00 C ATOM 763 C GLU A 49 -20.810 -14.227 8.150 1.00 0.00 C ATOM 764 O GLU A 49 -20.834 -15.325 7.597 1.00 0.00 O ATOM 765 CB GLU A 49 -22.437 -13.589 9.940 1.00 0.00 C ATOM 766 CG GLU A 49 -23.524 -14.622 9.695 1.00 0.00 C ATOM 767 CD GLU A 49 -24.917 -14.071 9.930 1.00 0.00 C ATOM 768 OE1 GLU A 49 -25.334 -13.169 9.175 1.00 0.00 O ATOM 769 OE2 GLU A 49 -25.590 -14.544 10.870 1.00 0.00 O ATOM 0 H GLU A 49 -20.409 -12.560 10.934 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.909 -15.092 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -22.491 -13.256 10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -22.629 -12.717 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -23.450 -14.986 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -23.361 -15.478 10.350 1.00 0.00 H new ATOM 776 N ASN A 50 -20.601 -13.090 7.494 1.00 0.00 N ATOM 777 CA ASN A 50 -20.382 -13.069 6.052 1.00 0.00 C ATOM 778 C ASN A 50 -19.084 -13.784 5.688 1.00 0.00 C ATOM 779 O ASN A 50 -19.059 -14.631 4.794 1.00 0.00 O ATOM 780 CB ASN A 50 -20.344 -11.627 5.542 1.00 0.00 C ATOM 781 CG ASN A 50 -21.729 -11.025 5.406 1.00 0.00 C ATOM 782 OD1 ASN A 50 -22.567 -11.159 6.299 1.00 0.00 O ATOM 783 ND2 ASN A 50 -21.977 -10.358 4.285 1.00 0.00 N ATOM 0 H ASN A 50 -20.579 -12.172 7.938 1.00 0.00 H new ATOM 0 HA ASN A 50 -21.210 -13.594 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -19.752 -11.018 6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -19.842 -11.600 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -22.892 -9.932 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -21.253 -10.272 3.572 1.00 0.00 H new ATOM 790 N LEU A 51 -18.009 -13.437 6.386 1.00 0.00 N ATOM 791 CA LEU A 51 -16.706 -14.045 6.138 1.00 0.00 C ATOM 792 C LEU A 51 -16.804 -15.567 6.158 1.00 0.00 C ATOM 793 O LEU A 51 -16.398 -16.239 5.208 1.00 0.00 O ATOM 794 CB LEU A 51 -15.693 -13.574 7.182 1.00 0.00 C ATOM 795 CG LEU A 51 -14.325 -14.255 7.146 1.00 0.00 C ATOM 796 CD1 LEU A 51 -13.676 -14.077 5.782 1.00 0.00 C ATOM 797 CD2 LEU A 51 -13.425 -13.704 8.242 1.00 0.00 C ATOM 0 H LEU A 51 -18.013 -12.738 7.129 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.369 -13.733 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -15.546 -12.501 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -16.125 -13.724 8.171 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.467 -15.321 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.703 -14.568 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.312 -14.521 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.547 -13.014 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.456 -14.201 8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.290 -12.632 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.884 -13.884 9.214 1.00 0.00 H new ATOM 809 N LEU A 52 -17.346 -16.106 7.244 1.00 0.00 N ATOM 810 CA LEU A 52 -17.499 -17.550 7.387 1.00 0.00 C ATOM 811 C LEU A 52 -18.081 -18.164 6.118 1.00 0.00 C ATOM 812 O LEU A 52 -17.599 -19.188 5.636 1.00 0.00 O ATOM 813 CB LEU A 52 -18.399 -17.871 8.582 1.00 0.00 C ATOM 814 CG LEU A 52 -17.782 -17.657 9.964 1.00 0.00 C ATOM 815 CD1 LEU A 52 -18.868 -17.554 11.024 1.00 0.00 C ATOM 816 CD2 LEU A 52 -16.816 -18.785 10.297 1.00 0.00 C ATOM 0 H LEU A 52 -17.687 -15.565 8.039 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.512 -17.980 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.298 -17.259 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.715 -18.911 8.504 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.226 -16.720 9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.409 -17.402 12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.521 -16.712 10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.452 -18.474 11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.386 -18.616 11.284 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.350 -19.735 10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.019 -18.813 9.554 1.00 0.00 H new ATOM 828 N GLU A 53 -19.119 -17.530 5.581 1.00 0.00 N ATOM 829 CA GLU A 53 -19.765 -18.014 4.367 1.00 0.00 C ATOM 830 C GLU A 53 -18.755 -18.147 3.230 1.00 0.00 C ATOM 831 O GLU A 53 -18.569 -19.231 2.675 1.00 0.00 O ATOM 832 CB GLU A 53 -20.895 -17.070 3.952 1.00 0.00 C ATOM 833 CG GLU A 53 -21.994 -16.942 4.993 1.00 0.00 C ATOM 834 CD GLU A 53 -23.230 -16.249 4.454 1.00 0.00 C ATOM 835 OE1 GLU A 53 -23.095 -15.137 3.904 1.00 0.00 O ATOM 836 OE2 GLU A 53 -24.333 -16.821 4.583 1.00 0.00 O ATOM 0 H GLU A 53 -19.530 -16.680 5.968 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.183 -18.999 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.478 -16.083 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.330 -17.426 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.266 -17.934 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.615 -16.385 5.850 1.00 0.00 H new ATOM 843 N HIS A 54 -18.107 -17.038 2.889 1.00 0.00 N ATOM 844 CA HIS A 54 -17.117 -17.030 1.818 1.00 0.00 C ATOM 845 C HIS A 54 -16.196 -18.242 1.921 1.00 0.00 C ATOM 846 O HIS A 54 -16.033 -18.992 0.959 1.00 0.00 O ATOM 847 CB HIS A 54 -16.292 -15.743 1.867 1.00 0.00 C ATOM 848 CG HIS A 54 -14.899 -15.904 1.341 1.00 0.00 C ATOM 849 ND1 HIS A 54 -13.780 -16.385 1.931 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -14.533 -15.547 0.061 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -12.768 -16.313 1.005 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -13.249 -15.804 -0.115 1.00 0.00 N flip ATOM 0 H HIS A 54 -18.249 -16.134 3.339 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.647 -17.077 0.867 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -16.802 -14.972 1.290 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -16.244 -15.391 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.193 -15.123 -0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.746 -16.622 1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.719 -15.638 -0.971 1.00 0.00 H new ATOM 860 N GLU A 55 -15.596 -18.427 3.093 1.00 0.00 N ATOM 861 CA GLU A 55 -14.691 -19.547 3.319 1.00 0.00 C ATOM 862 C GLU A 55 -15.189 -20.801 2.607 1.00 0.00 C ATOM 863 O GLU A 55 -14.416 -21.511 1.963 1.00 0.00 O ATOM 864 CB GLU A 55 -14.548 -19.822 4.818 1.00 0.00 C ATOM 865 CG GLU A 55 -13.694 -18.797 5.545 1.00 0.00 C ATOM 866 CD GLU A 55 -13.433 -19.176 6.990 1.00 0.00 C ATOM 867 OE1 GLU A 55 -14.374 -19.092 7.806 1.00 0.00 O ATOM 868 OE2 GLU A 55 -12.285 -19.556 7.305 1.00 0.00 O ATOM 0 H GLU A 55 -15.721 -17.816 3.900 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.716 -19.281 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.539 -19.844 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.112 -20.811 4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.743 -18.687 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.190 -17.827 5.511 1.00 0.00 H new ATOM 875 N ALA A 56 -16.485 -21.068 2.727 1.00 0.00 N ATOM 876 CA ALA A 56 -17.087 -22.235 2.094 1.00 0.00 C ATOM 877 C ALA A 56 -17.469 -21.939 0.648 1.00 0.00 C ATOM 878 O ALA A 56 -17.209 -22.742 -0.249 1.00 0.00 O ATOM 879 CB ALA A 56 -18.307 -22.692 2.881 1.00 0.00 C ATOM 0 H ALA A 56 -17.139 -20.492 3.257 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.349 -23.037 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -18.746 -23.564 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.008 -22.953 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -19.041 -21.887 2.914 1.00 0.00 H new ATOM 885 N ARG A 57 -18.086 -20.783 0.428 1.00 0.00 N ATOM 886 CA ARG A 57 -18.505 -20.383 -0.910 1.00 0.00 C ATOM 887 C ARG A 57 -17.326 -20.405 -1.878 1.00 0.00 C ATOM 888 O ARG A 57 -17.322 -21.161 -2.849 1.00 0.00 O ATOM 889 CB ARG A 57 -19.125 -18.985 -0.876 1.00 0.00 C ATOM 890 CG ARG A 57 -20.311 -18.867 0.067 1.00 0.00 C ATOM 891 CD ARG A 57 -21.582 -19.412 -0.566 1.00 0.00 C ATOM 892 NE ARG A 57 -21.564 -20.869 -0.663 1.00 0.00 N ATOM 893 CZ ARG A 57 -22.435 -21.569 -1.380 1.00 0.00 C ATOM 894 NH1 ARG A 57 -23.389 -20.948 -2.060 1.00 0.00 N ATOM 895 NH2 ARG A 57 -22.353 -22.893 -1.419 1.00 0.00 N ATOM 0 H ARG A 57 -18.307 -20.107 1.159 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.252 -21.096 -1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -18.362 -18.266 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -19.444 -18.714 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -20.100 -19.410 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -20.458 -17.822 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -22.444 -19.099 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -21.704 -18.984 -1.561 1.00 0.00 H new ATOM 0 HE ARG A 57 -20.842 -21.377 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -23.455 -19.930 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.057 -21.488 -2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.620 -23.374 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -23.023 -23.429 -1.970 1.00 0.00 H new ATOM 909 N ASN A 58 -16.328 -19.570 -1.607 1.00 0.00 N ATOM 910 CA ASN A 58 -15.144 -19.493 -2.454 1.00 0.00 C ATOM 911 C ASN A 58 -13.923 -19.068 -1.645 1.00 0.00 C ATOM 912 O ASN A 58 -14.050 -18.477 -0.573 1.00 0.00 O ATOM 913 CB ASN A 58 -15.377 -18.510 -3.603 1.00 0.00 C ATOM 914 CG ASN A 58 -16.154 -19.131 -4.747 1.00 0.00 C ATOM 915 OD1 ASN A 58 -17.385 -19.162 -4.732 1.00 0.00 O ATOM 916 ND2 ASN A 58 -15.438 -19.630 -5.748 1.00 0.00 N ATOM 0 H ASN A 58 -16.316 -18.937 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.957 -20.485 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.918 -17.641 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.416 -18.153 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.907 -20.060 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.419 -19.583 -5.720 1.00 0.00 H new ATOM 1031 N VAL A 66 4.343 -12.771 -6.878 1.00 0.00 N ATOM 1032 CA VAL A 66 5.393 -11.762 -6.822 1.00 0.00 C ATOM 1033 C VAL A 66 5.844 -11.359 -8.221 1.00 0.00 C ATOM 1034 O VAL A 66 5.511 -12.018 -9.207 1.00 0.00 O ATOM 1035 CB VAL A 66 6.613 -12.265 -6.027 1.00 0.00 C ATOM 1036 CG1 VAL A 66 6.239 -12.507 -4.572 1.00 0.00 C ATOM 1037 CG2 VAL A 66 7.175 -13.529 -6.659 1.00 0.00 C ATOM 0 HA VAL A 66 4.971 -10.894 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 66 7.386 -11.497 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.113 -12.862 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.886 -11.576 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.449 -13.256 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.036 -13.871 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.410 -14.305 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.482 -13.318 -7.683 1.00 0.00 H new ATOM 1047 N PHE A 67 6.605 -10.273 -8.302 1.00 0.00 N ATOM 1048 CA PHE A 67 7.102 -9.781 -9.582 1.00 0.00 C ATOM 1049 C PHE A 67 8.622 -9.892 -9.654 1.00 0.00 C ATOM 1050 O PHE A 67 9.308 -9.868 -8.631 1.00 0.00 O ATOM 1051 CB PHE A 67 6.675 -8.327 -9.794 1.00 0.00 C ATOM 1052 CG PHE A 67 5.187 -8.144 -9.871 1.00 0.00 C ATOM 1053 CD1 PHE A 67 4.389 -8.367 -8.760 1.00 0.00 C ATOM 1054 CD2 PHE A 67 4.584 -7.751 -11.056 1.00 0.00 C ATOM 1055 CE1 PHE A 67 3.019 -8.200 -8.828 1.00 0.00 C ATOM 1056 CE2 PHE A 67 3.215 -7.581 -11.129 1.00 0.00 C ATOM 1057 CZ PHE A 67 2.431 -7.807 -10.015 1.00 0.00 C ATOM 0 H PHE A 67 6.891 -9.717 -7.497 1.00 0.00 H new ATOM 0 HA PHE A 67 6.672 -10.397 -10.372 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.066 -7.719 -8.978 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.127 -7.955 -10.713 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.843 -8.675 -7.830 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.191 -7.576 -11.932 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.409 -8.376 -7.955 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.758 -7.271 -12.057 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.360 -7.677 -10.071 1.00 0.00 H new ATOM 1067 N THR A 68 9.144 -10.015 -10.870 1.00 0.00 N ATOM 1068 CA THR A 68 10.582 -10.132 -11.077 1.00 0.00 C ATOM 1069 C THR A 68 11.118 -8.956 -11.885 1.00 0.00 C ATOM 1070 O THR A 68 10.590 -8.627 -12.948 1.00 0.00 O ATOM 1071 CB THR A 68 10.940 -11.443 -11.801 1.00 0.00 C ATOM 1072 OG1 THR A 68 10.510 -12.566 -11.023 1.00 0.00 O ATOM 1073 CG2 THR A 68 12.439 -11.534 -12.046 1.00 0.00 C ATOM 0 H THR A 68 8.592 -10.036 -11.727 1.00 0.00 H new ATOM 0 HA THR A 68 11.045 -10.133 -10.090 1.00 0.00 H new ATOM 0 HB THR A 68 10.429 -11.451 -12.764 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.740 -13.396 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.668 -12.468 -12.559 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.758 -10.694 -12.663 1.00 0.00 H new ATOM 0 HG23 THR A 68 12.966 -11.505 -11.092 1.00 0.00 H new ATOM 1081 N CYS A 69 12.171 -8.325 -11.376 1.00 0.00 N ATOM 1082 CA CYS A 69 12.781 -7.185 -12.050 1.00 0.00 C ATOM 1083 C CYS A 69 13.192 -7.551 -13.473 1.00 0.00 C ATOM 1084 O CYS A 69 13.128 -8.715 -13.869 1.00 0.00 O ATOM 1085 CB CYS A 69 13.999 -6.694 -11.266 1.00 0.00 C ATOM 1086 SG CYS A 69 14.447 -4.960 -11.599 1.00 0.00 S ATOM 0 H CYS A 69 12.620 -8.584 -10.498 1.00 0.00 H new ATOM 0 HA CYS A 69 12.042 -6.385 -12.098 1.00 0.00 H new ATOM 0 HB2 CYS A 69 13.802 -6.809 -10.200 1.00 0.00 H new ATOM 0 HB3 CYS A 69 14.851 -7.330 -11.503 1.00 0.00 H new ATOM 0 HG CYS A 69 15.717 -4.884 -11.868 1.00 0.00 H new ATOM 1091 N SER A 70 13.615 -6.549 -14.237 1.00 0.00 N ATOM 1092 CA SER A 70 14.034 -6.764 -15.617 1.00 0.00 C ATOM 1093 C SER A 70 15.514 -6.442 -15.792 1.00 0.00 C ATOM 1094 O SER A 70 16.009 -6.330 -16.914 1.00 0.00 O ATOM 1095 CB SER A 70 13.197 -5.903 -16.566 1.00 0.00 C ATOM 1096 OG SER A 70 13.458 -6.235 -17.919 1.00 0.00 O ATOM 0 H SER A 70 13.677 -5.580 -13.924 1.00 0.00 H new ATOM 0 HA SER A 70 13.878 -7.815 -15.858 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.138 -6.044 -16.351 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.419 -4.849 -16.397 1.00 0.00 H new ATOM 0 HG SER A 70 14.415 -6.411 -18.034 1.00 0.00 H new ATOM 1102 N VAL A 71 16.217 -6.292 -14.674 1.00 0.00 N ATOM 1103 CA VAL A 71 17.642 -5.984 -14.702 1.00 0.00 C ATOM 1104 C VAL A 71 18.415 -6.868 -13.730 1.00 0.00 C ATOM 1105 O VAL A 71 19.473 -7.401 -14.065 1.00 0.00 O ATOM 1106 CB VAL A 71 17.903 -4.506 -14.353 1.00 0.00 C ATOM 1107 CG1 VAL A 71 19.388 -4.190 -14.447 1.00 0.00 C ATOM 1108 CG2 VAL A 71 17.096 -3.594 -15.264 1.00 0.00 C ATOM 0 H VAL A 71 15.823 -6.379 -13.737 1.00 0.00 H new ATOM 0 HA VAL A 71 17.988 -6.177 -15.717 1.00 0.00 H new ATOM 0 HB VAL A 71 17.583 -4.330 -13.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 19.553 -3.142 -14.197 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.939 -4.821 -13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 71 19.737 -4.381 -15.462 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.292 -2.554 -15.004 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.383 -3.769 -16.301 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.034 -3.805 -15.141 1.00 0.00 H new ATOM 1118 N CYS A 72 17.879 -7.022 -12.524 1.00 0.00 N ATOM 1119 CA CYS A 72 18.517 -7.842 -11.501 1.00 0.00 C ATOM 1120 C CYS A 72 17.631 -9.025 -11.121 1.00 0.00 C ATOM 1121 O CYS A 72 18.028 -9.880 -10.331 1.00 0.00 O ATOM 1122 CB CYS A 72 18.824 -7.001 -10.261 1.00 0.00 C ATOM 1123 SG CYS A 72 17.348 -6.297 -9.456 1.00 0.00 S ATOM 0 H CYS A 72 17.003 -6.589 -12.231 1.00 0.00 H new ATOM 0 HA CYS A 72 19.451 -8.227 -11.910 1.00 0.00 H new ATOM 0 HB2 CYS A 72 19.359 -7.619 -9.539 1.00 0.00 H new ATOM 0 HB3 CYS A 72 19.494 -6.188 -10.543 1.00 0.00 H new ATOM 0 HG CYS A 72 16.502 -5.909 -10.364 1.00 0.00 H new ATOM 1128 N GLN A 73 16.431 -9.064 -11.691 1.00 0.00 N ATOM 1129 CA GLN A 73 15.489 -10.142 -11.411 1.00 0.00 C ATOM 1130 C GLN A 73 15.118 -10.171 -9.932 1.00 0.00 C ATOM 1131 O GLN A 73 15.003 -11.239 -9.332 1.00 0.00 O ATOM 1132 CB GLN A 73 16.083 -11.488 -11.826 1.00 0.00 C ATOM 1133 CG GLN A 73 16.735 -11.468 -13.200 1.00 0.00 C ATOM 1134 CD GLN A 73 15.848 -10.841 -14.257 1.00 0.00 C ATOM 1135 OE1 GLN A 73 14.742 -11.315 -14.518 1.00 0.00 O ATOM 1136 NE2 GLN A 73 16.329 -9.766 -14.872 1.00 0.00 N ATOM 0 H GLN A 73 16.088 -8.363 -12.348 1.00 0.00 H new ATOM 0 HA GLN A 73 14.584 -9.958 -11.990 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.823 -11.793 -11.086 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.295 -12.241 -11.818 1.00 0.00 H new ATOM 0 HG2 GLN A 73 17.674 -10.916 -13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 73 16.981 -12.488 -13.496 1.00 0.00 H new ATOM 0 HE21 GLN A 73 17.251 -9.407 -14.624 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.776 -9.300 -15.592 1.00 0.00 H new ATOM 1145 N GLU A 74 14.933 -8.990 -9.350 1.00 0.00 N ATOM 1146 CA GLU A 74 14.577 -8.881 -7.940 1.00 0.00 C ATOM 1147 C GLU A 74 13.204 -9.492 -7.677 1.00 0.00 C ATOM 1148 O GLU A 74 12.589 -10.077 -8.571 1.00 0.00 O ATOM 1149 CB GLU A 74 14.588 -7.416 -7.500 1.00 0.00 C ATOM 1150 CG GLU A 74 15.062 -7.213 -6.070 1.00 0.00 C ATOM 1151 CD GLU A 74 16.163 -8.180 -5.678 1.00 0.00 C ATOM 1152 OE1 GLU A 74 15.838 -9.296 -5.222 1.00 0.00 O ATOM 1153 OE2 GLU A 74 17.349 -7.820 -5.829 1.00 0.00 O ATOM 0 H GLU A 74 15.024 -8.096 -9.833 1.00 0.00 H new ATOM 0 HA GLU A 74 15.318 -9.432 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.233 -6.849 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.583 -7.007 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.422 -6.191 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.218 -7.334 -5.391 1.00 0.00 H new ATOM 1160 N THR A 75 12.727 -9.353 -6.444 1.00 0.00 N ATOM 1161 CA THR A 75 11.428 -9.892 -6.062 1.00 0.00 C ATOM 1162 C THR A 75 10.559 -8.823 -5.409 1.00 0.00 C ATOM 1163 O THR A 75 10.977 -8.166 -4.455 1.00 0.00 O ATOM 1164 CB THR A 75 11.575 -11.080 -5.092 1.00 0.00 C ATOM 1165 OG1 THR A 75 12.483 -10.741 -4.037 1.00 0.00 O ATOM 1166 CG2 THR A 75 12.077 -12.316 -5.823 1.00 0.00 C ATOM 0 H THR A 75 13.221 -8.872 -5.693 1.00 0.00 H new ATOM 0 HA THR A 75 10.948 -10.237 -6.978 1.00 0.00 H new ATOM 0 HB THR A 75 10.594 -11.300 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.348 -9.806 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.173 -13.142 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.369 -12.588 -6.606 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.049 -12.105 -6.269 1.00 0.00 H new ATOM 1174 N PHE A 76 9.348 -8.653 -5.928 1.00 0.00 N ATOM 1175 CA PHE A 76 8.420 -7.662 -5.396 1.00 0.00 C ATOM 1176 C PHE A 76 7.025 -8.258 -5.228 1.00 0.00 C ATOM 1177 O PHE A 76 6.372 -8.621 -6.207 1.00 0.00 O ATOM 1178 CB PHE A 76 8.358 -6.442 -6.317 1.00 0.00 C ATOM 1179 CG PHE A 76 9.709 -5.959 -6.762 1.00 0.00 C ATOM 1180 CD1 PHE A 76 10.315 -6.494 -7.887 1.00 0.00 C ATOM 1181 CD2 PHE A 76 10.373 -4.969 -6.055 1.00 0.00 C ATOM 1182 CE1 PHE A 76 11.558 -6.051 -8.300 1.00 0.00 C ATOM 1183 CE2 PHE A 76 11.615 -4.522 -6.463 1.00 0.00 C ATOM 1184 CZ PHE A 76 12.209 -5.064 -7.586 1.00 0.00 C ATOM 0 H PHE A 76 8.986 -9.189 -6.717 1.00 0.00 H new ATOM 0 HA PHE A 76 8.784 -7.350 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.762 -6.689 -7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.843 -5.632 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.810 -7.266 -8.448 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.914 -4.542 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.019 -6.476 -9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.121 -3.749 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 76 13.181 -4.717 -7.905 1.00 0.00 H new ATOM 1194 N ARG A 77 6.575 -8.356 -3.981 1.00 0.00 N ATOM 1195 CA ARG A 77 5.259 -8.909 -3.685 1.00 0.00 C ATOM 1196 C ARG A 77 4.177 -8.202 -4.496 1.00 0.00 C ATOM 1197 O ARG A 77 3.094 -8.747 -4.711 1.00 0.00 O ATOM 1198 CB ARG A 77 4.955 -8.783 -2.191 1.00 0.00 C ATOM 1199 CG ARG A 77 4.795 -7.347 -1.720 1.00 0.00 C ATOM 1200 CD ARG A 77 6.076 -6.821 -1.091 1.00 0.00 C ATOM 1201 NE ARG A 77 6.085 -6.996 0.359 1.00 0.00 N ATOM 1202 CZ ARG A 77 7.193 -6.995 1.092 1.00 0.00 C ATOM 1203 NH1 ARG A 77 8.375 -6.829 0.513 1.00 0.00 N ATOM 1204 NH2 ARG A 77 7.120 -7.160 2.406 1.00 0.00 N ATOM 0 H ARG A 77 7.102 -8.060 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 77 5.265 -9.963 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.041 -9.334 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.758 -9.255 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.516 -6.715 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.982 -7.289 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.932 -7.339 -1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.189 -5.763 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 77 5.192 -7.126 0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.435 -6.702 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.224 -6.829 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.213 -7.288 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 77 7.971 -7.159 2.968 1.00 0.00 H new ATOM 1218 N ARG A 78 4.478 -6.988 -4.943 1.00 0.00 N ATOM 1219 CA ARG A 78 3.531 -6.206 -5.729 1.00 0.00 C ATOM 1220 C ARG A 78 4.216 -5.579 -6.940 1.00 0.00 C ATOM 1221 O ARG A 78 5.444 -5.546 -7.023 1.00 0.00 O ATOM 1222 CB ARG A 78 2.898 -5.114 -4.866 1.00 0.00 C ATOM 1223 CG ARG A 78 2.110 -5.654 -3.683 1.00 0.00 C ATOM 1224 CD ARG A 78 2.110 -4.674 -2.520 1.00 0.00 C ATOM 1225 NE ARG A 78 1.038 -4.954 -1.568 1.00 0.00 N ATOM 1226 CZ ARG A 78 -0.222 -4.576 -1.749 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -0.568 -3.907 -2.840 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -1.141 -4.869 -0.837 1.00 0.00 N ATOM 0 H ARG A 78 5.371 -6.524 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 78 2.749 -6.878 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.683 -4.453 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.237 -4.509 -5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.084 -5.856 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.539 -6.603 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.071 -4.720 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.000 -3.659 -2.901 1.00 0.00 H new ATOM 0 HE ARG A 78 1.270 -5.468 -0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.135 -3.681 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.537 -3.618 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.879 -5.385 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.109 -4.578 -0.976 1.00 0.00 H new ATOM 1242 N ARG A 79 3.414 -5.082 -7.876 1.00 0.00 N ATOM 1243 CA ARG A 79 3.943 -4.457 -9.082 1.00 0.00 C ATOM 1244 C ARG A 79 4.533 -3.085 -8.770 1.00 0.00 C ATOM 1245 O ARG A 79 5.734 -2.866 -8.923 1.00 0.00 O ATOM 1246 CB ARG A 79 2.843 -4.324 -10.137 1.00 0.00 C ATOM 1247 CG ARG A 79 3.278 -3.561 -11.378 1.00 0.00 C ATOM 1248 CD ARG A 79 3.939 -4.479 -12.393 1.00 0.00 C ATOM 1249 NE ARG A 79 3.931 -3.906 -13.737 1.00 0.00 N ATOM 1250 CZ ARG A 79 4.050 -4.629 -14.845 1.00 0.00 C ATOM 1251 NH1 ARG A 79 4.186 -5.946 -14.770 1.00 0.00 N ATOM 1252 NH2 ARG A 79 4.033 -4.035 -16.031 1.00 0.00 N ATOM 0 H ARG A 79 2.396 -5.100 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 79 4.737 -5.094 -9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.511 -5.320 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.985 -3.820 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.412 -3.078 -11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.972 -2.770 -11.095 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.967 -4.675 -12.089 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.422 -5.438 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 79 3.828 -2.895 -13.830 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.199 -6.406 -13.860 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.277 -6.499 -15.622 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.929 -3.022 -16.093 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.124 -4.591 -16.881 1.00 0.00 H new ATOM 1266 N MET A 80 3.679 -2.165 -8.334 1.00 0.00 N ATOM 1267 CA MET A 80 4.116 -0.815 -7.999 1.00 0.00 C ATOM 1268 C MET A 80 5.531 -0.827 -7.429 1.00 0.00 C ATOM 1269 O MET A 80 6.410 -0.114 -7.911 1.00 0.00 O ATOM 1270 CB MET A 80 3.154 -0.178 -6.995 1.00 0.00 C ATOM 1271 CG MET A 80 3.531 1.243 -6.608 1.00 0.00 C ATOM 1272 SD MET A 80 2.847 2.474 -7.734 1.00 0.00 S ATOM 1273 CE MET A 80 4.030 2.399 -9.077 1.00 0.00 C ATOM 0 H MET A 80 2.681 -2.330 -8.204 1.00 0.00 H new ATOM 0 HA MET A 80 4.117 -0.223 -8.914 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.149 -0.176 -7.418 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.120 -0.794 -6.096 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.179 1.446 -5.597 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.617 1.335 -6.591 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.943 3.296 -9.689 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.039 2.334 -8.670 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.829 1.520 -9.690 1.00 0.00 H new ATOM 1283 N GLU A 81 5.742 -1.640 -6.399 1.00 0.00 N ATOM 1284 CA GLU A 81 7.050 -1.743 -5.763 1.00 0.00 C ATOM 1285 C GLU A 81 8.155 -1.867 -6.808 1.00 0.00 C ATOM 1286 O GLU A 81 9.167 -1.168 -6.744 1.00 0.00 O ATOM 1287 CB GLU A 81 7.089 -2.946 -4.818 1.00 0.00 C ATOM 1288 CG GLU A 81 5.993 -2.930 -3.766 1.00 0.00 C ATOM 1289 CD GLU A 81 6.172 -1.816 -2.753 1.00 0.00 C ATOM 1290 OE1 GLU A 81 6.906 -2.024 -1.765 1.00 0.00 O ATOM 1291 OE2 GLU A 81 5.578 -0.735 -2.950 1.00 0.00 O ATOM 0 H GLU A 81 5.024 -2.237 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 81 7.218 -0.833 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.004 -3.861 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.058 -2.975 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.026 -2.818 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.979 -3.889 -3.247 1.00 0.00 H new ATOM 1298 N LEU A 82 7.954 -2.762 -7.769 1.00 0.00 N ATOM 1299 CA LEU A 82 8.933 -2.979 -8.829 1.00 0.00 C ATOM 1300 C LEU A 82 9.224 -1.681 -9.576 1.00 0.00 C ATOM 1301 O LEU A 82 10.368 -1.403 -9.935 1.00 0.00 O ATOM 1302 CB LEU A 82 8.428 -4.041 -9.806 1.00 0.00 C ATOM 1303 CG LEU A 82 9.158 -4.120 -11.148 1.00 0.00 C ATOM 1304 CD1 LEU A 82 10.634 -4.419 -10.935 1.00 0.00 C ATOM 1305 CD2 LEU A 82 8.522 -5.176 -12.040 1.00 0.00 C ATOM 0 H LEU A 82 7.123 -3.349 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 82 9.858 -3.327 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.496 -5.014 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.372 -3.855 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 82 9.071 -3.154 -11.645 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.138 -4.472 -11.900 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.083 -3.628 -10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.741 -5.372 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.054 -5.218 -12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.577 -6.148 -11.550 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.478 -4.919 -12.220 1.00 0.00 H new ATOM 1317 N ARG A 83 8.181 -0.890 -9.804 1.00 0.00 N ATOM 1318 CA ARG A 83 8.325 0.379 -10.507 1.00 0.00 C ATOM 1319 C ARG A 83 9.223 1.335 -9.727 1.00 0.00 C ATOM 1320 O ARG A 83 10.115 1.968 -10.293 1.00 0.00 O ATOM 1321 CB ARG A 83 6.954 1.021 -10.732 1.00 0.00 C ATOM 1322 CG ARG A 83 5.950 0.094 -11.397 1.00 0.00 C ATOM 1323 CD ARG A 83 6.284 -0.129 -12.864 1.00 0.00 C ATOM 1324 NE ARG A 83 5.607 0.832 -13.731 1.00 0.00 N ATOM 1325 CZ ARG A 83 6.181 1.404 -14.783 1.00 0.00 C ATOM 1326 NH1 ARG A 83 7.436 1.114 -15.097 1.00 0.00 N ATOM 1327 NH2 ARG A 83 5.499 2.268 -15.524 1.00 0.00 N ATOM 0 H ARG A 83 7.228 -1.105 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 83 8.789 0.179 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.554 1.348 -9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.076 1.912 -11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.937 -0.863 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.949 0.518 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.362 -0.050 -13.007 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.998 -1.141 -13.151 1.00 0.00 H new ATOM 0 HE ARG A 83 4.640 1.077 -13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.963 0.450 -14.530 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.874 1.555 -15.906 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.533 2.493 -15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.941 2.707 -16.332 1.00 0.00 H new ATOM 1341 N LEU A 84 8.983 1.433 -8.424 1.00 0.00 N ATOM 1342 CA LEU A 84 9.769 2.312 -7.565 1.00 0.00 C ATOM 1343 C LEU A 84 11.206 1.814 -7.447 1.00 0.00 C ATOM 1344 O LEU A 84 12.113 2.575 -7.107 1.00 0.00 O ATOM 1345 CB LEU A 84 9.134 2.403 -6.177 1.00 0.00 C ATOM 1346 CG LEU A 84 7.605 2.421 -6.138 1.00 0.00 C ATOM 1347 CD1 LEU A 84 7.109 2.569 -4.708 1.00 0.00 C ATOM 1348 CD2 LEU A 84 7.063 3.544 -7.012 1.00 0.00 C ATOM 0 H LEU A 84 8.250 0.915 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 84 9.783 3.304 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.483 1.558 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.501 3.307 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 84 7.239 1.472 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.019 2.580 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.468 1.731 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.484 3.502 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.974 3.542 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.438 4.501 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.389 3.394 -8.041 1.00 0.00 H new ATOM 1360 N HIS A 85 11.408 0.531 -7.732 1.00 0.00 N ATOM 1361 CA HIS A 85 12.736 -0.068 -7.661 1.00 0.00 C ATOM 1362 C HIS A 85 13.500 0.147 -8.964 1.00 0.00 C ATOM 1363 O HIS A 85 14.699 0.424 -8.952 1.00 0.00 O ATOM 1364 CB HIS A 85 12.628 -1.564 -7.360 1.00 0.00 C ATOM 1365 CG HIS A 85 13.869 -2.333 -7.694 1.00 0.00 C ATOM 1366 ND1 HIS A 85 14.838 -2.640 -6.762 1.00 0.00 N ATOM 1367 CD2 HIS A 85 14.296 -2.860 -8.866 1.00 0.00 C ATOM 1368 CE1 HIS A 85 15.808 -3.320 -7.346 1.00 0.00 C ATOM 1369 NE2 HIS A 85 15.503 -3.468 -8.623 1.00 0.00 N ATOM 0 H HIS A 85 10.669 -0.113 -8.014 1.00 0.00 H new ATOM 0 HA HIS A 85 13.285 0.419 -6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.401 -1.698 -6.302 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.791 -1.980 -7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.783 -2.811 -9.815 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.699 -3.692 -6.862 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.072 -3.955 -9.316 1.00 0.00 H new ATOM 1377 N MET A 86 12.797 0.016 -10.084 1.00 0.00 N ATOM 1378 CA MET A 86 13.410 0.197 -11.395 1.00 0.00 C ATOM 1379 C MET A 86 14.222 1.488 -11.442 1.00 0.00 C ATOM 1380 O MET A 86 15.117 1.640 -12.274 1.00 0.00 O ATOM 1381 CB MET A 86 12.337 0.216 -12.485 1.00 0.00 C ATOM 1382 CG MET A 86 11.639 -1.122 -12.674 1.00 0.00 C ATOM 1383 SD MET A 86 12.347 -2.090 -14.020 1.00 0.00 S ATOM 1384 CE MET A 86 13.990 -2.407 -13.382 1.00 0.00 C ATOM 0 H MET A 86 11.804 -0.215 -10.110 1.00 0.00 H new ATOM 0 HA MET A 86 14.083 -0.642 -11.573 1.00 0.00 H new ATOM 0 HB2 MET A 86 11.593 0.973 -12.238 1.00 0.00 H new ATOM 0 HB3 MET A 86 12.794 0.515 -13.428 1.00 0.00 H new ATOM 0 HG2 MET A 86 11.701 -1.694 -11.748 1.00 0.00 H new ATOM 0 HG3 MET A 86 10.581 -0.951 -12.872 1.00 0.00 H new ATOM 0 HE1 MET A 86 14.360 -3.351 -13.783 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.658 -1.599 -13.680 1.00 0.00 H new ATOM 0 HE3 MET A 86 13.953 -2.464 -12.294 1.00 0.00 H new ATOM 1394 N VAL A 87 13.903 2.415 -10.545 1.00 0.00 N ATOM 1395 CA VAL A 87 14.603 3.693 -10.484 1.00 0.00 C ATOM 1396 C VAL A 87 16.107 3.489 -10.339 1.00 0.00 C ATOM 1397 O VAL A 87 16.903 4.301 -10.810 1.00 0.00 O ATOM 1398 CB VAL A 87 14.097 4.555 -9.313 1.00 0.00 C ATOM 1399 CG1 VAL A 87 12.577 4.586 -9.290 1.00 0.00 C ATOM 1400 CG2 VAL A 87 14.648 4.036 -7.993 1.00 0.00 C ATOM 0 H VAL A 87 13.164 2.305 -9.850 1.00 0.00 H new ATOM 0 HA VAL A 87 14.398 4.211 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 87 14.455 5.575 -9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.238 5.200 -8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.208 5.008 -10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.194 3.572 -9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.280 4.657 -7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.322 3.007 -7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 87 15.737 4.072 -8.014 1.00 0.00 H new ATOM 1410 N SER A 88 16.490 2.398 -9.683 1.00 0.00 N ATOM 1411 CA SER A 88 17.899 2.088 -9.472 1.00 0.00 C ATOM 1412 C SER A 88 18.554 1.627 -10.770 1.00 0.00 C ATOM 1413 O SER A 88 19.780 1.558 -10.870 1.00 0.00 O ATOM 1414 CB SER A 88 18.050 1.007 -8.399 1.00 0.00 C ATOM 1415 OG SER A 88 17.492 -0.222 -8.832 1.00 0.00 O ATOM 0 H SER A 88 15.844 1.714 -9.289 1.00 0.00 H new ATOM 0 HA SER A 88 18.399 2.996 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 88 19.105 0.868 -8.164 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.559 1.330 -7.481 1.00 0.00 H new ATOM 0 HG SER A 88 16.518 -0.134 -8.897 1.00 0.00 H new ATOM 1421 N HIS A 89 17.729 1.314 -11.764 1.00 0.00 N ATOM 1422 CA HIS A 89 18.227 0.860 -13.057 1.00 0.00 C ATOM 1423 C HIS A 89 18.054 1.944 -14.116 1.00 0.00 C ATOM 1424 O HIS A 89 18.863 2.063 -15.037 1.00 0.00 O ATOM 1425 CB HIS A 89 17.499 -0.413 -13.490 1.00 0.00 C ATOM 1426 CG HIS A 89 17.787 -1.595 -12.616 1.00 0.00 C ATOM 1427 ND1 HIS A 89 19.064 -2.051 -12.365 1.00 0.00 N ATOM 1428 CD2 HIS A 89 16.955 -2.414 -11.932 1.00 0.00 C ATOM 1429 CE1 HIS A 89 19.005 -3.101 -11.566 1.00 0.00 C ATOM 1430 NE2 HIS A 89 17.736 -3.342 -11.288 1.00 0.00 N ATOM 0 H HIS A 89 16.712 1.367 -11.699 1.00 0.00 H new ATOM 0 HA HIS A 89 19.290 0.644 -12.953 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.425 -0.225 -13.491 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.781 -0.652 -14.515 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.877 -2.350 -11.899 1.00 0.00 H new ATOM 0 HE1 HIS A 89 19.850 -3.666 -11.202 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.392 -4.095 -10.692 1.00 0.00 H new ATOM 1438 N THR A 90 16.993 2.734 -13.981 1.00 0.00 N ATOM 1439 CA THR A 90 16.713 3.807 -14.926 1.00 0.00 C ATOM 1440 C THR A 90 17.519 5.058 -14.594 1.00 0.00 C ATOM 1441 O THR A 90 17.949 5.787 -15.486 1.00 0.00 O ATOM 1442 CB THR A 90 15.215 4.165 -14.942 1.00 0.00 C ATOM 1443 OG1 THR A 90 14.748 4.380 -13.606 1.00 0.00 O ATOM 1444 CG2 THR A 90 14.401 3.058 -15.597 1.00 0.00 C ATOM 0 H THR A 90 16.313 2.650 -13.225 1.00 0.00 H new ATOM 0 HA THR A 90 17.003 3.443 -15.912 1.00 0.00 H new ATOM 0 HB THR A 90 15.089 5.079 -15.522 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.010 3.765 -13.415 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.346 3.333 -15.597 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.739 2.917 -16.624 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.534 2.130 -15.040 1.00 0.00 H new ATOM 1452 N GLY A 91 17.721 5.300 -13.302 1.00 0.00 N ATOM 1453 CA GLY A 91 18.476 6.463 -12.875 1.00 0.00 C ATOM 1454 C GLY A 91 17.635 7.437 -12.073 1.00 0.00 C ATOM 1455 O GLY A 91 18.136 8.093 -11.160 1.00 0.00 O ATOM 0 H GLY A 91 17.375 4.711 -12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 91 19.326 6.140 -12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.880 6.972 -13.750 1.00 0.00 H new ATOM 1505 N TYR A 95 8.203 10.686 -13.439 1.00 0.00 N ATOM 1506 CA TYR A 95 7.485 11.875 -12.995 1.00 0.00 C ATOM 1507 C TYR A 95 8.212 12.547 -11.834 1.00 0.00 C ATOM 1508 O TYR A 95 8.841 11.883 -11.011 1.00 0.00 O ATOM 1509 CB TYR A 95 6.060 11.509 -12.576 1.00 0.00 C ATOM 1510 CG TYR A 95 5.253 10.861 -13.678 1.00 0.00 C ATOM 1511 CD1 TYR A 95 4.573 11.632 -14.612 1.00 0.00 C ATOM 1512 CD2 TYR A 95 5.169 9.478 -13.784 1.00 0.00 C ATOM 1513 CE1 TYR A 95 3.833 11.045 -15.621 1.00 0.00 C ATOM 1514 CE2 TYR A 95 4.433 8.882 -14.789 1.00 0.00 C ATOM 1515 CZ TYR A 95 3.767 9.670 -15.705 1.00 0.00 C ATOM 1516 OH TYR A 95 3.031 9.080 -16.708 1.00 0.00 O ATOM 0 HA TYR A 95 7.442 12.576 -13.829 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.104 10.832 -11.723 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.546 12.410 -12.242 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.623 12.709 -14.549 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.688 8.858 -13.068 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.310 11.659 -16.339 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.379 7.806 -14.858 1.00 0.00 H new ATOM 0 HH TYR A 95 3.089 8.105 -16.626 1.00 0.00 H new ATOM 1526 N LYS A 96 8.119 13.871 -11.774 1.00 0.00 N ATOM 1527 CA LYS A 96 8.764 14.637 -10.714 1.00 0.00 C ATOM 1528 C LYS A 96 8.016 15.940 -10.451 1.00 0.00 C ATOM 1529 O LYS A 96 7.508 16.574 -11.377 1.00 0.00 O ATOM 1530 CB LYS A 96 10.218 14.938 -11.087 1.00 0.00 C ATOM 1531 CG LYS A 96 11.207 13.919 -10.548 1.00 0.00 C ATOM 1532 CD LYS A 96 12.514 13.948 -11.322 1.00 0.00 C ATOM 1533 CE LYS A 96 12.392 13.218 -12.651 1.00 0.00 C ATOM 1534 NZ LYS A 96 13.400 13.692 -13.639 1.00 0.00 N ATOM 0 H LYS A 96 7.603 14.436 -12.448 1.00 0.00 H new ATOM 0 HA LYS A 96 8.745 14.038 -9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.305 14.978 -12.173 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.484 15.925 -10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.402 14.122 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.771 12.922 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.810 14.982 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.302 13.489 -10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.517 12.147 -12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.390 13.365 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.284 13.170 -14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.265 14.709 -13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.356 13.529 -13.265 1.00 0.00 H new ATOM 1548 N CYS A 97 7.953 16.335 -9.184 1.00 0.00 N ATOM 1549 CA CYS A 97 7.268 17.563 -8.799 1.00 0.00 C ATOM 1550 C CYS A 97 8.139 18.784 -9.081 1.00 0.00 C ATOM 1551 O CYS A 97 9.226 18.666 -9.646 1.00 0.00 O ATOM 1552 CB CYS A 97 6.896 17.521 -7.315 1.00 0.00 C ATOM 1553 SG CYS A 97 5.366 18.420 -6.906 1.00 0.00 S ATOM 0 H CYS A 97 8.368 15.822 -8.406 1.00 0.00 H new ATOM 0 HA CYS A 97 6.358 17.643 -9.393 1.00 0.00 H new ATOM 0 HB2 CYS A 97 6.786 16.481 -7.008 1.00 0.00 H new ATOM 0 HB3 CYS A 97 7.717 17.940 -6.734 1.00 0.00 H new ATOM 0 HG CYS A 97 4.764 17.826 -5.919 1.00 0.00 H new ATOM 1558 N SER A 98 7.654 19.955 -8.684 1.00 0.00 N ATOM 1559 CA SER A 98 8.386 21.198 -8.897 1.00 0.00 C ATOM 1560 C SER A 98 8.554 21.961 -7.586 1.00 0.00 C ATOM 1561 O SER A 98 9.626 22.495 -7.299 1.00 0.00 O ATOM 1562 CB SER A 98 7.659 22.074 -9.920 1.00 0.00 C ATOM 1563 OG SER A 98 8.262 23.353 -10.016 1.00 0.00 O ATOM 0 H SER A 98 6.757 20.070 -8.213 1.00 0.00 H new ATOM 0 HA SER A 98 9.375 20.947 -9.281 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.673 21.588 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.613 22.182 -9.633 1.00 0.00 H new ATOM 0 HG SER A 98 7.780 23.893 -10.677 1.00 0.00 H new ATOM 1569 N SER A 99 7.487 22.009 -6.795 1.00 0.00 N ATOM 1570 CA SER A 99 7.514 22.710 -5.517 1.00 0.00 C ATOM 1571 C SER A 99 8.355 21.947 -4.497 1.00 0.00 C ATOM 1572 O SER A 99 9.102 22.544 -3.722 1.00 0.00 O ATOM 1573 CB SER A 99 6.092 22.897 -4.984 1.00 0.00 C ATOM 1574 OG SER A 99 5.542 24.129 -5.419 1.00 0.00 O ATOM 0 H SER A 99 6.593 21.571 -7.017 1.00 0.00 H new ATOM 0 HA SER A 99 7.966 23.689 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.462 22.074 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.101 22.864 -3.895 1.00 0.00 H new ATOM 0 HG SER A 99 4.633 24.224 -5.067 1.00 0.00 H new ATOM 1580 N CYS A 100 8.227 20.625 -4.505 1.00 0.00 N ATOM 1581 CA CYS A 100 8.974 19.779 -3.582 1.00 0.00 C ATOM 1582 C CYS A 100 9.990 18.922 -4.330 1.00 0.00 C ATOM 1583 O CYS A 100 10.861 18.299 -3.722 1.00 0.00 O ATOM 1584 CB CYS A 100 8.018 18.882 -2.792 1.00 0.00 C ATOM 1585 SG CYS A 100 7.139 17.653 -3.810 1.00 0.00 S ATOM 0 H CYS A 100 7.613 20.116 -5.141 1.00 0.00 H new ATOM 0 HA CYS A 100 9.511 20.427 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.582 18.361 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.285 19.509 -2.284 1.00 0.00 H new ATOM 0 HG CYS A 100 6.595 18.245 -4.831 1.00 0.00 H new ATOM 1590 N SER A 101 9.874 18.896 -5.654 1.00 0.00 N ATOM 1591 CA SER A 101 10.780 18.113 -6.486 1.00 0.00 C ATOM 1592 C SER A 101 10.621 16.622 -6.209 1.00 0.00 C ATOM 1593 O SER A 101 11.545 15.838 -6.422 1.00 0.00 O ATOM 1594 CB SER A 101 12.229 18.538 -6.239 1.00 0.00 C ATOM 1595 OG SER A 101 12.791 17.823 -5.152 1.00 0.00 O ATOM 0 H SER A 101 9.161 19.408 -6.174 1.00 0.00 H new ATOM 0 HA SER A 101 10.527 18.299 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.821 18.364 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.268 19.608 -6.034 1.00 0.00 H new ATOM 0 HG SER A 101 12.375 18.120 -4.316 1.00 0.00 H new ATOM 1601 N GLN A 102 9.441 16.238 -5.731 1.00 0.00 N ATOM 1602 CA GLN A 102 9.160 14.840 -5.423 1.00 0.00 C ATOM 1603 C GLN A 102 9.313 13.968 -6.665 1.00 0.00 C ATOM 1604 O GLN A 102 9.738 14.441 -7.718 1.00 0.00 O ATOM 1605 CB GLN A 102 7.748 14.695 -4.854 1.00 0.00 C ATOM 1606 CG GLN A 102 7.693 14.764 -3.337 1.00 0.00 C ATOM 1607 CD GLN A 102 7.853 13.404 -2.685 1.00 0.00 C ATOM 1608 OE1 GLN A 102 8.914 12.786 -2.765 1.00 0.00 O ATOM 1609 NE2 GLN A 102 6.796 12.932 -2.035 1.00 0.00 N ATOM 0 H GLN A 102 8.665 16.875 -5.549 1.00 0.00 H new ATOM 0 HA GLN A 102 9.881 14.507 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.116 15.481 -5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.329 13.743 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.479 15.429 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.742 15.200 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.936 13.479 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.844 12.022 -1.576 1.00 0.00 H new ATOM 1618 N GLN A 103 8.964 12.693 -6.533 1.00 0.00 N ATOM 1619 CA GLN A 103 9.063 11.754 -7.644 1.00 0.00 C ATOM 1620 C GLN A 103 7.900 10.769 -7.631 1.00 0.00 C ATOM 1621 O GLN A 103 7.333 10.475 -6.578 1.00 0.00 O ATOM 1622 CB GLN A 103 10.390 10.996 -7.582 1.00 0.00 C ATOM 1623 CG GLN A 103 11.601 11.901 -7.420 1.00 0.00 C ATOM 1624 CD GLN A 103 12.910 11.139 -7.473 1.00 0.00 C ATOM 1625 OE1 GLN A 103 13.773 11.302 -6.609 1.00 0.00 O ATOM 1626 NE2 GLN A 103 13.067 10.300 -8.490 1.00 0.00 N ATOM 0 H GLN A 103 8.610 12.286 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 103 9.021 12.324 -8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.359 10.293 -6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.506 10.408 -8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.593 12.657 -8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.531 12.429 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 103 12.327 10.195 -9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 103 13.928 9.760 -8.578 1.00 0.00 H new ATOM 1635 N PHE A 104 7.548 10.260 -8.807 1.00 0.00 N ATOM 1636 CA PHE A 104 6.450 9.308 -8.931 1.00 0.00 C ATOM 1637 C PHE A 104 6.656 8.394 -10.135 1.00 0.00 C ATOM 1638 O PHE A 104 7.477 8.675 -11.008 1.00 0.00 O ATOM 1639 CB PHE A 104 5.117 10.048 -9.060 1.00 0.00 C ATOM 1640 CG PHE A 104 4.900 11.083 -7.993 1.00 0.00 C ATOM 1641 CD1 PHE A 104 5.629 12.261 -7.994 1.00 0.00 C ATOM 1642 CD2 PHE A 104 3.967 10.877 -6.990 1.00 0.00 C ATOM 1643 CE1 PHE A 104 5.431 13.214 -7.013 1.00 0.00 C ATOM 1644 CE2 PHE A 104 3.765 11.827 -6.006 1.00 0.00 C ATOM 1645 CZ PHE A 104 4.497 12.998 -6.019 1.00 0.00 C ATOM 0 H PHE A 104 8.007 10.491 -9.688 1.00 0.00 H new ATOM 0 HA PHE A 104 6.431 8.694 -8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.071 10.530 -10.037 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.303 9.324 -9.023 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.360 12.436 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.391 9.964 -6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.007 14.128 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.036 11.654 -5.228 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.339 13.743 -5.253 1.00 0.00 H new ATOM 1655 N MET A 105 5.905 7.299 -10.175 1.00 0.00 N ATOM 1656 CA MET A 105 6.004 6.343 -11.272 1.00 0.00 C ATOM 1657 C MET A 105 4.881 6.557 -12.282 1.00 0.00 C ATOM 1658 O MET A 105 5.024 6.228 -13.459 1.00 0.00 O ATOM 1659 CB MET A 105 5.957 4.911 -10.735 1.00 0.00 C ATOM 1660 CG MET A 105 7.329 4.335 -10.422 1.00 0.00 C ATOM 1661 SD MET A 105 8.382 4.216 -11.880 1.00 0.00 S ATOM 1662 CE MET A 105 9.952 4.758 -11.209 1.00 0.00 C ATOM 0 H MET A 105 5.221 7.051 -9.460 1.00 0.00 H new ATOM 0 HA MET A 105 6.957 6.503 -11.776 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.348 4.890 -9.831 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.462 4.273 -11.467 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.819 4.959 -9.675 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.211 3.345 -9.982 1.00 0.00 H new ATOM 0 HE1 MET A 105 10.741 4.080 -11.536 1.00 0.00 H new ATOM 0 HE2 MET A 105 10.170 5.766 -11.562 1.00 0.00 H new ATOM 0 HE3 MET A 105 9.902 4.758 -10.120 1.00 0.00 H new ATOM 1672 N GLN A 106 3.767 7.109 -11.814 1.00 0.00 N ATOM 1673 CA GLN A 106 2.620 7.365 -12.677 1.00 0.00 C ATOM 1674 C GLN A 106 2.269 8.849 -12.690 1.00 0.00 C ATOM 1675 O GLN A 106 2.560 9.575 -11.740 1.00 0.00 O ATOM 1676 CB GLN A 106 1.414 6.547 -12.214 1.00 0.00 C ATOM 1677 CG GLN A 106 1.763 5.124 -11.809 1.00 0.00 C ATOM 1678 CD GLN A 106 0.622 4.153 -12.044 1.00 0.00 C ATOM 1679 OE1 GLN A 106 0.128 4.018 -13.164 1.00 0.00 O ATOM 1680 NE2 GLN A 106 0.198 3.471 -10.987 1.00 0.00 N ATOM 0 H GLN A 106 3.634 7.388 -10.842 1.00 0.00 H new ATOM 0 HA GLN A 106 2.886 7.065 -13.691 1.00 0.00 H new ATOM 0 HB2 GLN A 106 0.946 7.052 -11.369 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.676 6.517 -13.016 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.637 4.794 -12.371 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.037 5.108 -10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.637 3.615 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.567 2.803 -11.084 1.00 0.00 H new ATOM 1689 N LYS A 107 1.640 9.294 -13.773 1.00 0.00 N ATOM 1690 CA LYS A 107 1.247 10.691 -13.910 1.00 0.00 C ATOM 1691 C LYS A 107 0.137 11.043 -12.926 1.00 0.00 C ATOM 1692 O LYS A 107 0.235 12.024 -12.188 1.00 0.00 O ATOM 1693 CB LYS A 107 0.784 10.973 -15.341 1.00 0.00 C ATOM 1694 CG LYS A 107 0.487 12.439 -15.606 1.00 0.00 C ATOM 1695 CD LYS A 107 0.349 12.720 -17.093 1.00 0.00 C ATOM 1696 CE LYS A 107 -0.525 13.938 -17.351 1.00 0.00 C ATOM 1697 NZ LYS A 107 -1.974 13.615 -17.236 1.00 0.00 N ATOM 0 H LYS A 107 1.392 8.706 -14.569 1.00 0.00 H new ATOM 0 HA LYS A 107 2.115 11.311 -13.687 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.553 10.635 -16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.111 10.386 -15.547 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.432 12.723 -15.094 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.286 13.054 -15.191 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.336 12.880 -17.527 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.081 11.850 -17.590 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.271 14.725 -16.641 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.318 14.329 -18.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.536 14.471 -17.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.223 12.883 -17.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.177 13.266 -16.278 1.00 0.00 H new ATOM 1711 N LYS A 108 -0.919 10.236 -12.918 1.00 0.00 N ATOM 1712 CA LYS A 108 -2.047 10.460 -12.023 1.00 0.00 C ATOM 1713 C LYS A 108 -1.591 10.484 -10.568 1.00 0.00 C ATOM 1714 O LYS A 108 -2.223 11.113 -9.719 1.00 0.00 O ATOM 1715 CB LYS A 108 -3.105 9.371 -12.219 1.00 0.00 C ATOM 1716 CG LYS A 108 -2.590 7.968 -11.949 1.00 0.00 C ATOM 1717 CD LYS A 108 -3.702 7.048 -11.474 1.00 0.00 C ATOM 1718 CE LYS A 108 -3.187 5.641 -11.210 1.00 0.00 C ATOM 1719 NZ LYS A 108 -4.184 4.814 -10.478 1.00 0.00 N ATOM 0 H LYS A 108 -1.017 9.420 -13.522 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.483 11.429 -12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.949 9.573 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.481 9.421 -13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.144 7.562 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.802 8.007 -11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.145 7.451 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.492 7.013 -12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.942 5.160 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.265 5.694 -10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.795 3.863 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.399 5.259 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.055 4.741 -11.041 1.00 0.00 H new ATOM 1733 N ASP A 109 -0.489 9.797 -10.287 1.00 0.00 N ATOM 1734 CA ASP A 109 0.054 9.742 -8.934 1.00 0.00 C ATOM 1735 C ASP A 109 0.657 11.085 -8.535 1.00 0.00 C ATOM 1736 O ASP A 109 0.663 11.450 -7.359 1.00 0.00 O ATOM 1737 CB ASP A 109 1.112 8.643 -8.831 1.00 0.00 C ATOM 1738 CG ASP A 109 0.577 7.382 -8.181 1.00 0.00 C ATOM 1739 OD1 ASP A 109 0.542 7.327 -6.934 1.00 0.00 O ATOM 1740 OD2 ASP A 109 0.194 6.450 -8.919 1.00 0.00 O ATOM 0 H ASP A 109 0.046 9.270 -10.978 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.763 9.514 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.482 8.405 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.961 9.013 -8.256 1.00 0.00 H new ATOM 1745 N LEU A 110 1.164 11.816 -9.522 1.00 0.00 N ATOM 1746 CA LEU A 110 1.770 13.120 -9.274 1.00 0.00 C ATOM 1747 C LEU A 110 0.707 14.211 -9.207 1.00 0.00 C ATOM 1748 O LEU A 110 0.731 15.060 -8.316 1.00 0.00 O ATOM 1749 CB LEU A 110 2.787 13.448 -10.369 1.00 0.00 C ATOM 1750 CG LEU A 110 3.234 14.907 -10.455 1.00 0.00 C ATOM 1751 CD1 LEU A 110 3.842 15.358 -9.136 1.00 0.00 C ATOM 1752 CD2 LEU A 110 4.225 15.096 -11.594 1.00 0.00 C ATOM 0 H LEU A 110 1.168 11.528 -10.501 1.00 0.00 H new ATOM 0 HA LEU A 110 2.282 13.079 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.670 12.827 -10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.360 13.162 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 110 2.358 15.523 -10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.154 16.399 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.101 15.262 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.707 14.737 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.532 16.141 -11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.099 14.468 -11.423 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.755 14.815 -12.536 1.00 0.00 H new ATOM 1764 N GLN A 111 -0.224 14.181 -10.155 1.00 0.00 N ATOM 1765 CA GLN A 111 -1.297 15.168 -10.202 1.00 0.00 C ATOM 1766 C GLN A 111 -2.040 15.229 -8.871 1.00 0.00 C ATOM 1767 O GLN A 111 -2.205 16.302 -8.290 1.00 0.00 O ATOM 1768 CB GLN A 111 -2.275 14.836 -11.330 1.00 0.00 C ATOM 1769 CG GLN A 111 -1.693 15.041 -12.720 1.00 0.00 C ATOM 1770 CD GLN A 111 -2.744 15.427 -13.742 1.00 0.00 C ATOM 1771 OE1 GLN A 111 -3.902 15.667 -13.398 1.00 0.00 O ATOM 1772 NE2 GLN A 111 -2.345 15.489 -15.007 1.00 0.00 N ATOM 0 H GLN A 111 -0.257 13.485 -10.900 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.850 16.144 -10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.595 13.799 -11.229 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -3.165 15.456 -11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -0.929 15.818 -12.679 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.199 14.124 -13.041 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.375 15.282 -15.247 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -3.008 15.744 -15.739 1.00 0.00 H new ATOM 1781 N SER A 112 -2.485 14.071 -8.394 1.00 0.00 N ATOM 1782 CA SER A 112 -3.214 13.993 -7.133 1.00 0.00 C ATOM 1783 C SER A 112 -2.365 14.523 -5.982 1.00 0.00 C ATOM 1784 O SER A 112 -2.860 15.233 -5.106 1.00 0.00 O ATOM 1785 CB SER A 112 -3.634 12.550 -6.851 1.00 0.00 C ATOM 1786 OG SER A 112 -4.810 12.506 -6.062 1.00 0.00 O ATOM 0 H SER A 112 -2.354 13.174 -8.861 1.00 0.00 H new ATOM 0 HA SER A 112 -4.107 14.613 -7.218 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.804 12.027 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 112 -2.828 12.027 -6.337 1.00 0.00 H new ATOM 0 HG SER A 112 -5.059 11.572 -5.897 1.00 0.00 H new ATOM 1792 N HIS A 113 -1.083 14.171 -5.989 1.00 0.00 N ATOM 1793 CA HIS A 113 -0.164 14.610 -4.946 1.00 0.00 C ATOM 1794 C HIS A 113 -0.116 16.133 -4.869 1.00 0.00 C ATOM 1795 O HIS A 113 -0.050 16.708 -3.783 1.00 0.00 O ATOM 1796 CB HIS A 113 1.238 14.057 -5.206 1.00 0.00 C ATOM 1797 CG HIS A 113 2.335 14.946 -4.704 1.00 0.00 C ATOM 1798 ND1 HIS A 113 2.851 14.857 -3.429 1.00 0.00 N ATOM 1799 CD2 HIS A 113 3.015 15.944 -5.316 1.00 0.00 C ATOM 1800 CE1 HIS A 113 3.800 15.763 -3.277 1.00 0.00 C ATOM 1801 NE2 HIS A 113 3.920 16.436 -4.407 1.00 0.00 N ATOM 0 H HIS A 113 -0.658 13.583 -6.706 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.527 14.227 -3.992 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.328 13.080 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.367 13.905 -6.278 1.00 0.00 H new ATOM 0 HD1 HIS A 113 2.548 14.195 -2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.873 16.289 -6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 113 4.380 15.926 -2.380 1.00 0.00 H new ATOM 1809 N MET A 114 -0.150 16.781 -6.029 1.00 0.00 N ATOM 1810 CA MET A 114 -0.112 18.237 -6.093 1.00 0.00 C ATOM 1811 C MET A 114 -1.476 18.832 -5.761 1.00 0.00 C ATOM 1812 O MET A 114 -1.578 19.992 -5.362 1.00 0.00 O ATOM 1813 CB MET A 114 0.334 18.697 -7.482 1.00 0.00 C ATOM 1814 CG MET A 114 1.675 18.122 -7.911 1.00 0.00 C ATOM 1815 SD MET A 114 2.486 19.120 -9.175 1.00 0.00 S ATOM 1816 CE MET A 114 2.889 20.592 -8.238 1.00 0.00 C ATOM 0 H MET A 114 -0.204 16.320 -6.937 1.00 0.00 H new ATOM 0 HA MET A 114 0.607 18.589 -5.354 1.00 0.00 H new ATOM 0 HB2 MET A 114 -0.424 18.412 -8.211 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.394 19.785 -7.494 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.327 18.044 -7.041 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.528 17.111 -8.291 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.428 21.460 -8.709 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.514 20.489 -7.220 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.971 20.723 -8.214 1.00 0.00 H new ATOM 1826 N ILE A 115 -2.523 18.031 -5.930 1.00 0.00 N ATOM 1827 CA ILE A 115 -3.881 18.479 -5.647 1.00 0.00 C ATOM 1828 C ILE A 115 -4.214 18.324 -4.167 1.00 0.00 C ATOM 1829 O ILE A 115 -5.061 19.040 -3.632 1.00 0.00 O ATOM 1830 CB ILE A 115 -4.916 17.698 -6.480 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -4.734 17.997 -7.969 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -6.327 18.047 -6.032 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -5.106 16.838 -8.867 1.00 0.00 C ATOM 0 H ILE A 115 -2.457 17.069 -6.261 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.929 19.534 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 115 -4.759 16.631 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -5.342 18.862 -8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.695 18.269 -8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.047 17.488 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.449 17.788 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.497 19.115 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.952 17.121 -9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.481 15.978 -8.628 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.153 16.579 -8.712 1.00 0.00 H new ATOM 1845 N LYS A 116 -3.542 17.385 -3.510 1.00 0.00 N ATOM 1846 CA LYS A 116 -3.764 17.136 -2.091 1.00 0.00 C ATOM 1847 C LYS A 116 -2.800 17.956 -1.238 1.00 0.00 C ATOM 1848 O LYS A 116 -3.221 18.729 -0.376 1.00 0.00 O ATOM 1849 CB LYS A 116 -3.596 15.647 -1.780 1.00 0.00 C ATOM 1850 CG LYS A 116 -4.879 14.848 -1.923 1.00 0.00 C ATOM 1851 CD LYS A 116 -5.136 14.458 -3.369 1.00 0.00 C ATOM 1852 CE LYS A 116 -6.593 14.085 -3.595 1.00 0.00 C ATOM 1853 NZ LYS A 116 -6.987 12.885 -2.806 1.00 0.00 N ATOM 0 H LYS A 116 -2.838 16.783 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.783 17.438 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.841 15.228 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -3.221 15.537 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.820 13.950 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.718 15.435 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.866 15.286 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -4.498 13.617 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -7.230 14.926 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.759 13.893 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.960 12.613 -3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.342 12.099 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.934 13.104 -1.791 1.00 0.00 H new ATOM 1867 N LEU A 117 -1.507 17.785 -1.485 1.00 0.00 N ATOM 1868 CA LEU A 117 -0.483 18.510 -0.741 1.00 0.00 C ATOM 1869 C LEU A 117 -0.340 19.937 -1.261 1.00 0.00 C ATOM 1870 O LEU A 117 -0.410 20.898 -0.495 1.00 0.00 O ATOM 1871 CB LEU A 117 0.859 17.783 -0.840 1.00 0.00 C ATOM 1872 CG LEU A 117 0.813 16.263 -0.672 1.00 0.00 C ATOM 1873 CD1 LEU A 117 2.180 15.728 -0.277 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -0.234 15.872 0.361 1.00 0.00 C ATOM 0 H LEU A 117 -1.142 17.150 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 117 -0.790 18.552 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.301 18.008 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.528 18.192 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 117 0.535 15.819 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.128 14.645 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.906 15.976 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.488 16.179 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.253 14.787 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.014 16.327 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.214 16.222 0.036 1.00 0.00 H new ATOM 1886 N HIS A 118 -0.141 20.068 -2.569 1.00 0.00 N ATOM 1887 CA HIS A 118 0.009 21.378 -3.193 1.00 0.00 C ATOM 1888 C HIS A 118 -1.347 21.939 -3.610 1.00 0.00 C ATOM 1889 O HIS A 118 -1.455 22.649 -4.609 1.00 0.00 O ATOM 1890 CB HIS A 118 0.931 21.285 -4.408 1.00 0.00 C ATOM 1891 CG HIS A 118 2.324 20.850 -4.071 1.00 0.00 C ATOM 1892 ND1 HIS A 118 3.094 21.468 -3.109 1.00 0.00 N ATOM 1893 CD2 HIS A 118 3.086 19.850 -4.574 1.00 0.00 C ATOM 1894 CE1 HIS A 118 4.269 20.869 -3.035 1.00 0.00 C ATOM 1895 NE2 HIS A 118 4.289 19.883 -3.914 1.00 0.00 N ATOM 0 H HIS A 118 -0.080 19.283 -3.217 1.00 0.00 H new ATOM 0 HA HIS A 118 0.453 22.053 -2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.504 20.584 -5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 118 0.972 22.258 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.800 19.156 -5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 118 5.076 21.139 -2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 118 5.072 19.249 -4.076 1.00 0.00 H new