USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 725 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 57 LYS NZ :NH3+ -117:sc= 0.0692 (180deg=0) USER MOD Set 1.2: A 60 SER OG : rot -4:sc= -2.77! USER MOD Set 1.3: A 62 MET CE :methyl 167:sc= -6.58! (180deg=-7.05!) USER MOD Set 1.4: A 71 TYR OH : rot 30:sc= 0.0998 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -148:sc= -0.697 (180deg=-2.1) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -172:sc= -0.0281 (180deg=-0.0167) USER MOD Single : A 36 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.022) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.847 (180deg=-4.58!) USER MOD Single : A 42 HIS : no HE2:sc= -7.19! C(o=-7.2!,f=-8.5!) USER MOD Single : A 45 CYS SG : rot -23:sc= -10.5! USER MOD Single : A 48 HIS : no HE2:sc= -29.9! C(o=-30!,f=-34!) USER MOD Single : A 52 MET CE :methyl 155:sc= -11.6! (180deg=-16.5!) USER MOD Single : A 55 MET CE :methyl 142:sc= -1.95 (180deg=-4.25!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.44! C(o=-1.4!,f=-10!) USER MOD Single : A 70 GLN : amide:sc= -11.6! C(o=-12!,f=-10!) USER MOD Single : A 72 SER OG : rot -164:sc= -2.11! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -140:sc= -0.294 (180deg=-1.71!) USER MOD Single : A 86 THR OG1 : rot 75:sc= 0.598 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 165:sc= -0.0814 (180deg=-0.581) USER MOD Single : A 95 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.1!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -122:sc= -3.66 (180deg=-7.46!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 32:sc= 0.265 USER MOD Single : A 117 LYS NZ :NH3+ 143:sc= -0.391 (180deg=-2.17!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.397! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -17! C(o=-17!,f=-20!) USER MOD Single : A 126 MET CE :methyl 167:sc= -4.06 (180deg=-5.06!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 83.894 -15.439 -0.389 1.00 0.00 N ATOM 86 CA ASN A 36 84.993 -15.456 0.618 1.00 0.00 C ATOM 87 C ASN A 36 85.318 -14.032 1.071 1.00 0.00 C ATOM 88 O ASN A 36 85.413 -13.749 2.249 1.00 0.00 O ATOM 89 CB ASN A 36 86.187 -16.075 -0.109 1.00 0.00 C ATOM 90 CG ASN A 36 87.364 -16.207 0.860 1.00 0.00 C ATOM 91 OD1 ASN A 36 88.446 -15.725 0.590 1.00 0.00 O ATOM 92 ND2 ASN A 36 87.197 -16.844 1.987 1.00 0.00 N ATOM 0 HA ASN A 36 84.725 -16.019 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.917 -17.054 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 36 86.470 -15.454 -0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 36 87.975 -16.937 2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 36 86.289 -17.249 2.214 1.00 0.00 H new ATOM 99 N ALA A 37 85.488 -13.135 0.144 1.00 0.00 N ATOM 100 CA ALA A 37 85.804 -11.727 0.513 1.00 0.00 C ATOM 101 C ALA A 37 85.248 -10.776 -0.548 1.00 0.00 C ATOM 102 O ALA A 37 85.609 -10.842 -1.699 1.00 0.00 O ATOM 103 CB ALA A 37 87.331 -11.658 0.552 1.00 0.00 C ATOM 0 H ALA A 37 85.422 -13.315 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 37 85.363 -11.437 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.643 -10.648 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.708 -12.361 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.732 -11.915 -0.428 1.00 0.00 H new ATOM 109 N VAL A 38 84.366 -9.899 -0.165 1.00 0.00 N ATOM 110 CA VAL A 38 83.776 -8.945 -1.153 1.00 0.00 C ATOM 111 C VAL A 38 84.464 -7.583 -1.046 1.00 0.00 C ATOM 112 O VAL A 38 84.913 -7.203 0.016 1.00 0.00 O ATOM 113 CB VAL A 38 82.301 -8.834 -0.749 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.746 -10.226 -0.432 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.166 -7.944 0.490 1.00 0.00 C ATOM 0 H VAL A 38 84.025 -9.798 0.791 1.00 0.00 H new ATOM 0 HA VAL A 38 83.898 -9.281 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 38 81.740 -8.395 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.698 -10.143 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.832 -10.861 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.313 -10.665 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.116 -7.869 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.733 -8.379 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.554 -6.950 0.268 1.00 0.00 H new ATOM 125 N LYS A 39 84.552 -6.824 -2.115 1.00 0.00 N ATOM 126 CA LYS A 39 85.213 -5.501 -1.976 1.00 0.00 C ATOM 127 C LYS A 39 84.163 -4.471 -1.570 1.00 0.00 C ATOM 128 O LYS A 39 83.459 -3.921 -2.393 1.00 0.00 O ATOM 129 CB LYS A 39 85.737 -5.185 -3.365 1.00 0.00 C ATOM 130 CG LYS A 39 86.463 -3.839 -3.347 1.00 0.00 C ATOM 131 CD LYS A 39 87.538 -3.859 -2.259 1.00 0.00 C ATOM 132 CE LYS A 39 88.870 -3.374 -2.841 1.00 0.00 C ATOM 133 NZ LYS A 39 88.520 -2.189 -3.676 1.00 0.00 N ATOM 0 H LYS A 39 84.205 -7.059 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 39 86.006 -5.494 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.416 -5.971 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.913 -5.155 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 39 86.917 -3.644 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.754 -3.033 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.239 -3.221 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.649 -4.868 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.571 -3.106 -2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.345 -4.151 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.326 -1.532 -3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.295 -2.500 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 87.694 -1.708 -3.267 1.00 0.00 H new ATOM 147 N VAL A 40 84.033 -4.237 -0.291 1.00 0.00 N ATOM 148 CA VAL A 40 83.003 -3.280 0.197 1.00 0.00 C ATOM 149 C VAL A 40 83.590 -1.883 0.445 1.00 0.00 C ATOM 150 O VAL A 40 84.550 -1.717 1.172 1.00 0.00 O ATOM 151 CB VAL A 40 82.488 -3.907 1.501 1.00 0.00 C ATOM 152 CG1 VAL A 40 83.317 -3.423 2.696 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.025 -3.518 1.707 1.00 0.00 C ATOM 0 H VAL A 40 84.599 -4.671 0.438 1.00 0.00 H new ATOM 0 HA VAL A 40 82.210 -3.128 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 40 82.578 -4.991 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 40 82.937 -3.878 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 40 84.360 -3.708 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.245 -2.338 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 40 80.657 -3.962 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 80.942 -2.433 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.430 -3.881 0.869 1.00 0.00 H new ATOM 163 N ARG A 41 82.990 -0.878 -0.133 1.00 0.00 N ATOM 164 CA ARG A 41 83.470 0.519 0.083 1.00 0.00 C ATOM 165 C ARG A 41 82.477 1.219 1.014 1.00 0.00 C ATOM 166 O ARG A 41 81.280 1.091 0.850 1.00 0.00 O ATOM 167 CB ARG A 41 83.475 1.168 -1.303 1.00 0.00 C ATOM 168 CG ARG A 41 84.165 0.241 -2.311 1.00 0.00 C ATOM 169 CD ARG A 41 83.555 0.454 -3.700 1.00 0.00 C ATOM 170 NE ARG A 41 83.119 -0.900 -4.140 1.00 0.00 N ATOM 171 CZ ARG A 41 82.786 -1.101 -5.386 1.00 0.00 C ATOM 172 NH1 ARG A 41 83.415 -0.469 -6.339 1.00 0.00 N ATOM 173 NH2 ARG A 41 81.824 -1.934 -5.679 1.00 0.00 N ATOM 0 H ARG A 41 82.182 -0.964 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 41 84.460 0.575 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.453 1.371 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.993 2.126 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.235 0.446 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 41 84.047 -0.799 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 41 82.714 1.146 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 41 84.284 0.878 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 41 83.081 -1.668 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.166 0.182 -6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 41 83.155 -0.626 -7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 41 81.332 -2.428 -4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 41 81.564 -2.091 -6.653 1.00 0.00 H new ATOM 187 N HIS A 42 82.939 1.917 2.015 1.00 0.00 N ATOM 188 CA HIS A 42 81.970 2.550 2.952 1.00 0.00 C ATOM 189 C HIS A 42 82.061 4.082 3.002 1.00 0.00 C ATOM 190 O HIS A 42 83.051 4.654 3.412 1.00 0.00 O ATOM 191 CB HIS A 42 82.317 1.962 4.314 1.00 0.00 C ATOM 192 CG HIS A 42 83.696 2.401 4.722 1.00 0.00 C ATOM 193 ND1 HIS A 42 83.907 3.401 5.659 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.946 1.979 4.337 1.00 0.00 C ATOM 195 CE1 HIS A 42 85.236 3.546 5.806 1.00 0.00 C ATOM 196 NE2 HIS A 42 85.915 2.703 5.024 1.00 0.00 N ATOM 0 H HIS A 42 83.925 2.074 2.222 1.00 0.00 H new ATOM 0 HA HIS A 42 80.949 2.347 2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.588 2.286 5.057 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.269 0.874 4.273 1.00 0.00 H new ATOM 0 HD1 HIS A 42 83.185 3.931 6.148 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.145 1.204 3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 42 85.698 4.257 6.475 1.00 0.00 H new ATOM 204 N ILE A 43 80.986 4.732 2.640 1.00 0.00 N ATOM 205 CA ILE A 43 80.910 6.226 2.708 1.00 0.00 C ATOM 206 C ILE A 43 79.982 6.564 3.885 1.00 0.00 C ATOM 207 O ILE A 43 78.895 6.033 3.969 1.00 0.00 O ATOM 208 CB ILE A 43 80.292 6.651 1.368 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.409 6.865 0.345 1.00 0.00 C ATOM 210 CG2 ILE A 43 79.494 7.950 1.533 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.811 7.394 -0.962 1.00 0.00 C ATOM 0 H ILE A 43 80.139 4.283 2.293 1.00 0.00 H new ATOM 0 HA ILE A 43 81.866 6.727 2.860 1.00 0.00 H new ATOM 0 HB ILE A 43 79.617 5.867 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.142 7.572 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.935 5.928 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.063 8.237 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.695 7.797 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 43 80.156 8.742 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.607 7.546 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.095 6.672 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.305 8.341 -0.774 1.00 0.00 H new ATOM 223 N LEU A 44 80.388 7.384 4.831 1.00 0.00 N ATOM 224 CA LEU A 44 79.469 7.621 5.995 1.00 0.00 C ATOM 225 C LEU A 44 78.871 9.018 6.023 1.00 0.00 C ATOM 226 O LEU A 44 79.456 9.983 5.598 1.00 0.00 O ATOM 227 CB LEU A 44 80.308 7.438 7.255 1.00 0.00 C ATOM 228 CG LEU A 44 80.703 5.982 7.484 1.00 0.00 C ATOM 229 CD1 LEU A 44 79.809 5.395 8.577 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.555 5.149 6.211 1.00 0.00 C ATOM 0 H LEU A 44 81.278 7.881 4.851 1.00 0.00 H new ATOM 0 HA LEU A 44 78.634 6.924 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 44 81.208 8.048 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.748 7.800 8.117 1.00 0.00 H new ATOM 0 HG LEU A 44 81.751 5.954 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 44 80.082 4.354 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 44 79.940 5.962 9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 44 78.767 5.450 8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.846 4.118 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.517 5.174 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.196 5.559 5.431 1.00 0.00 H new ATOM 242 N CYS A 45 77.711 9.125 6.573 1.00 0.00 N ATOM 243 CA CYS A 45 77.067 10.452 6.694 1.00 0.00 C ATOM 244 C CYS A 45 76.281 10.507 8.003 1.00 0.00 C ATOM 245 O CYS A 45 75.070 10.461 8.012 1.00 0.00 O ATOM 246 CB CYS A 45 76.150 10.572 5.481 1.00 0.00 C ATOM 247 SG CYS A 45 77.139 10.455 3.972 1.00 0.00 S ATOM 0 H CYS A 45 77.172 8.345 6.949 1.00 0.00 H new ATOM 0 HA CYS A 45 77.782 11.274 6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.398 9.783 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.616 11.522 5.507 1.00 0.00 H new ATOM 0 HG CYS A 45 78.369 10.784 4.233 1.00 0.00 H new ATOM 253 N GLU A 46 76.976 10.589 9.109 1.00 0.00 N ATOM 254 CA GLU A 46 76.292 10.640 10.439 1.00 0.00 C ATOM 255 C GLU A 46 74.985 11.441 10.350 1.00 0.00 C ATOM 256 O GLU A 46 74.039 11.179 11.066 1.00 0.00 O ATOM 257 CB GLU A 46 77.289 11.340 11.364 1.00 0.00 C ATOM 258 CG GLU A 46 77.948 10.303 12.277 1.00 0.00 C ATOM 259 CD GLU A 46 76.907 9.744 13.247 1.00 0.00 C ATOM 260 OE1 GLU A 46 76.583 10.432 14.200 1.00 0.00 O ATOM 261 OE2 GLU A 46 76.451 8.634 13.021 1.00 0.00 O ATOM 0 H GLU A 46 77.995 10.623 9.149 1.00 0.00 H new ATOM 0 HA GLU A 46 76.021 9.647 10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.047 11.857 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 46 76.779 12.096 11.962 1.00 0.00 H new ATOM 0 HG2 GLU A 46 78.375 9.497 11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 46 78.769 10.759 12.831 1.00 0.00 H new ATOM 268 N LYS A 47 74.921 12.403 9.468 1.00 0.00 N ATOM 269 CA LYS A 47 73.666 13.203 9.325 1.00 0.00 C ATOM 270 C LYS A 47 72.988 12.847 8.001 1.00 0.00 C ATOM 271 O LYS A 47 71.826 13.125 7.783 1.00 0.00 O ATOM 272 CB LYS A 47 74.107 14.670 9.332 1.00 0.00 C ATOM 273 CG LYS A 47 75.363 14.840 8.476 1.00 0.00 C ATOM 274 CD LYS A 47 75.640 16.331 8.269 1.00 0.00 C ATOM 275 CE LYS A 47 76.720 16.789 9.251 1.00 0.00 C ATOM 276 NZ LYS A 47 77.978 16.148 8.767 1.00 0.00 N ATOM 0 H LYS A 47 75.680 12.670 8.841 1.00 0.00 H new ATOM 0 HA LYS A 47 72.952 13.005 10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.306 15.301 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.306 14.994 10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.215 14.365 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 47 75.230 14.347 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.964 16.513 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.727 16.906 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 47 76.809 17.875 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 47 76.485 16.479 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 78.595 15.938 9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.748 15.265 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 78.469 16.794 8.117 1.00 0.00 H new ATOM 290 N HIS A 48 73.720 12.221 7.124 1.00 0.00 N ATOM 291 CA HIS A 48 73.164 11.814 5.807 1.00 0.00 C ATOM 292 C HIS A 48 72.875 13.033 4.938 1.00 0.00 C ATOM 293 O HIS A 48 72.200 12.950 3.931 1.00 0.00 O ATOM 294 CB HIS A 48 71.903 11.014 6.122 1.00 0.00 C ATOM 295 CG HIS A 48 72.208 9.573 5.819 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.438 9.015 6.127 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.510 8.599 5.151 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.454 7.765 5.636 1.00 0.00 C ATOM 299 NE2 HIS A 48 72.300 7.457 5.033 1.00 0.00 N ATOM 0 H HIS A 48 74.698 11.970 7.268 1.00 0.00 H new ATOM 0 HA HIS A 48 73.868 11.211 5.234 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.620 11.136 7.167 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.064 11.365 5.521 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.195 9.471 6.635 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.503 8.701 4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.294 7.092 5.718 1.00 0.00 H new ATOM 307 N GLY A 49 73.417 14.158 5.302 1.00 0.00 N ATOM 308 CA GLY A 49 73.217 15.378 4.476 1.00 0.00 C ATOM 309 C GLY A 49 74.061 15.230 3.206 1.00 0.00 C ATOM 310 O GLY A 49 73.830 15.886 2.210 1.00 0.00 O ATOM 0 H GLY A 49 73.990 14.286 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.164 15.499 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.515 16.268 5.031 1.00 0.00 H new ATOM 314 N LYS A 50 75.033 14.351 3.239 1.00 0.00 N ATOM 315 CA LYS A 50 75.898 14.125 2.044 1.00 0.00 C ATOM 316 C LYS A 50 75.707 12.705 1.528 1.00 0.00 C ATOM 317 O LYS A 50 75.990 12.415 0.387 1.00 0.00 O ATOM 318 CB LYS A 50 77.336 14.313 2.531 1.00 0.00 C ATOM 319 CG LYS A 50 77.522 15.732 3.065 1.00 0.00 C ATOM 320 CD LYS A 50 77.183 15.752 4.556 1.00 0.00 C ATOM 321 CE LYS A 50 78.462 15.546 5.372 1.00 0.00 C ATOM 322 NZ LYS A 50 78.269 14.237 6.057 1.00 0.00 N ATOM 0 H LYS A 50 75.264 13.777 4.050 1.00 0.00 H new ATOM 0 HA LYS A 50 75.653 14.810 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.562 13.588 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 50 78.033 14.128 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 50 78.549 16.062 2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.879 16.425 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.718 16.701 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.461 14.968 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.343 15.531 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.606 16.352 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.039 14.086 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 77.357 14.238 6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.276 13.472 5.352 1.00 0.00 H new ATOM 336 N ILE A 51 75.233 11.812 2.355 1.00 0.00 N ATOM 337 CA ILE A 51 75.036 10.416 1.876 1.00 0.00 C ATOM 338 C ILE A 51 74.375 10.447 0.503 1.00 0.00 C ATOM 339 O ILE A 51 74.593 9.581 -0.320 1.00 0.00 O ATOM 340 CB ILE A 51 74.148 9.730 2.917 1.00 0.00 C ATOM 341 CG1 ILE A 51 74.262 8.215 2.744 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.689 10.152 2.730 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.508 7.710 3.475 1.00 0.00 C ATOM 0 H ILE A 51 74.977 11.986 3.327 1.00 0.00 H new ATOM 0 HA ILE A 51 75.975 9.873 1.768 1.00 0.00 H new ATOM 0 HB ILE A 51 74.474 10.021 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 51 73.372 7.725 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 51 74.321 7.963 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 51 72.068 9.657 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.605 11.232 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.353 9.868 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 51 75.589 6.630 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 51 76.394 8.190 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.430 7.949 4.536 1.00 0.00 H new ATOM 355 N MET A 52 73.601 11.462 0.234 1.00 0.00 N ATOM 356 CA MET A 52 72.968 11.570 -1.101 1.00 0.00 C ATOM 357 C MET A 52 73.932 12.291 -2.021 1.00 0.00 C ATOM 358 O MET A 52 74.226 11.849 -3.110 1.00 0.00 O ATOM 359 CB MET A 52 71.695 12.383 -0.894 1.00 0.00 C ATOM 360 CG MET A 52 70.500 11.568 -1.381 1.00 0.00 C ATOM 361 SD MET A 52 70.098 12.037 -3.084 1.00 0.00 S ATOM 362 CE MET A 52 71.762 11.866 -3.779 1.00 0.00 C ATOM 0 H MET A 52 73.382 12.218 0.883 1.00 0.00 H new ATOM 0 HA MET A 52 72.732 10.603 -1.545 1.00 0.00 H new ATOM 0 HB2 MET A 52 71.575 12.633 0.160 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.756 13.324 -1.440 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.728 10.503 -1.331 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.641 11.741 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.691 11.671 -4.849 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.322 12.787 -3.614 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.276 11.037 -3.292 1.00 0.00 H new ATOM 372 N GLU A 53 74.480 13.369 -1.559 1.00 0.00 N ATOM 373 CA GLU A 53 75.480 14.081 -2.378 1.00 0.00 C ATOM 374 C GLU A 53 76.535 13.055 -2.739 1.00 0.00 C ATOM 375 O GLU A 53 77.160 13.110 -3.777 1.00 0.00 O ATOM 376 CB GLU A 53 76.053 15.176 -1.480 1.00 0.00 C ATOM 377 CG GLU A 53 75.877 16.537 -2.156 1.00 0.00 C ATOM 378 CD GLU A 53 76.272 17.643 -1.176 1.00 0.00 C ATOM 379 OE1 GLU A 53 77.371 17.577 -0.652 1.00 0.00 O ATOM 380 OE2 GLU A 53 75.466 18.535 -0.963 1.00 0.00 O ATOM 0 H GLU A 53 74.278 13.787 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 53 75.083 14.527 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.548 15.170 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 53 77.109 14.988 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.494 16.593 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.842 16.668 -2.472 1.00 0.00 H new ATOM 387 N ALA A 54 76.706 12.089 -1.874 1.00 0.00 N ATOM 388 CA ALA A 54 77.690 11.012 -2.143 1.00 0.00 C ATOM 389 C ALA A 54 77.023 9.973 -3.037 1.00 0.00 C ATOM 390 O ALA A 54 77.658 9.328 -3.849 1.00 0.00 O ATOM 391 CB ALA A 54 78.019 10.422 -0.772 1.00 0.00 C ATOM 0 H ALA A 54 76.202 12.004 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 54 78.593 11.360 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.744 9.616 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 54 78.439 11.199 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 54 77.109 10.030 -0.317 1.00 0.00 H new ATOM 397 N MET A 55 75.731 9.825 -2.901 1.00 0.00 N ATOM 398 CA MET A 55 74.997 8.844 -3.757 1.00 0.00 C ATOM 399 C MET A 55 74.813 9.428 -5.161 1.00 0.00 C ATOM 400 O MET A 55 74.978 8.747 -6.155 1.00 0.00 O ATOM 401 CB MET A 55 73.643 8.649 -3.076 1.00 0.00 C ATOM 402 CG MET A 55 73.383 7.156 -2.864 1.00 0.00 C ATOM 403 SD MET A 55 71.603 6.871 -2.711 1.00 0.00 S ATOM 404 CE MET A 55 71.672 5.728 -1.310 1.00 0.00 C ATOM 0 H MET A 55 75.153 10.339 -2.236 1.00 0.00 H new ATOM 0 HA MET A 55 75.531 7.900 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 55 73.628 9.170 -2.119 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.852 9.083 -3.687 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.783 6.584 -3.701 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.896 6.810 -1.967 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.835 5.923 -0.640 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.614 4.702 -1.674 1.00 0.00 H new ATOM 0 HE3 MET A 55 72.609 5.869 -0.771 1.00 0.00 H new ATOM 414 N GLU A 56 74.484 10.690 -5.250 1.00 0.00 N ATOM 415 CA GLU A 56 74.300 11.327 -6.584 1.00 0.00 C ATOM 416 C GLU A 56 75.642 11.385 -7.313 1.00 0.00 C ATOM 417 O GLU A 56 75.806 10.814 -8.374 1.00 0.00 O ATOM 418 CB GLU A 56 73.787 12.737 -6.290 1.00 0.00 C ATOM 419 CG GLU A 56 72.518 12.999 -7.103 1.00 0.00 C ATOM 420 CD GLU A 56 72.770 14.140 -8.091 1.00 0.00 C ATOM 421 OE1 GLU A 56 73.261 15.172 -7.662 1.00 0.00 O ATOM 422 OE2 GLU A 56 72.469 13.962 -9.260 1.00 0.00 O ATOM 0 H GLU A 56 74.335 11.308 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 56 73.608 10.774 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.578 12.845 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 56 74.551 13.473 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 56 72.225 12.097 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.694 13.256 -6.438 1.00 0.00 H new ATOM 429 N LYS A 57 76.608 12.064 -6.747 1.00 0.00 N ATOM 430 CA LYS A 57 77.944 12.146 -7.403 1.00 0.00 C ATOM 431 C LYS A 57 78.322 10.774 -7.956 1.00 0.00 C ATOM 432 O LYS A 57 78.383 10.573 -9.152 1.00 0.00 O ATOM 433 CB LYS A 57 78.910 12.567 -6.298 1.00 0.00 C ATOM 434 CG LYS A 57 79.447 13.963 -6.608 1.00 0.00 C ATOM 435 CD LYS A 57 78.780 14.991 -5.710 1.00 0.00 C ATOM 436 CE LYS A 57 79.697 16.208 -5.599 1.00 0.00 C ATOM 437 NZ LYS A 57 78.779 17.361 -5.376 1.00 0.00 N ATOM 0 H LYS A 57 76.528 12.563 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 57 77.961 12.850 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.402 12.565 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.732 11.855 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 57 80.527 13.987 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 57 79.262 14.208 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 57 77.813 15.282 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 57 78.593 14.567 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.401 16.098 -4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.287 16.342 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.858 18.026 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 77.800 17.017 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.038 17.845 -4.493 1.00 0.00 H new ATOM 451 N LEU A 58 78.560 9.827 -7.087 1.00 0.00 N ATOM 452 CA LEU A 58 78.914 8.456 -7.556 1.00 0.00 C ATOM 453 C LEU A 58 78.057 8.085 -8.771 1.00 0.00 C ATOM 454 O LEU A 58 78.493 7.384 -9.662 1.00 0.00 O ATOM 455 CB LEU A 58 78.583 7.540 -6.374 1.00 0.00 C ATOM 456 CG LEU A 58 79.859 7.225 -5.593 1.00 0.00 C ATOM 457 CD1 LEU A 58 80.015 8.223 -4.447 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.769 5.810 -5.022 1.00 0.00 C ATOM 0 H LEU A 58 78.525 9.944 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 58 79.958 8.375 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.855 8.022 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.128 6.617 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 58 80.719 7.297 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.925 7.998 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 58 80.077 9.234 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.155 8.150 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.678 5.584 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.909 5.740 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.656 5.095 -5.837 1.00 0.00 H new ATOM 470 N LYS A 59 76.840 8.559 -8.811 1.00 0.00 N ATOM 471 CA LYS A 59 75.947 8.249 -9.966 1.00 0.00 C ATOM 472 C LYS A 59 76.206 9.239 -11.103 1.00 0.00 C ATOM 473 O LYS A 59 76.694 8.880 -12.156 1.00 0.00 O ATOM 474 CB LYS A 59 74.527 8.422 -9.427 1.00 0.00 C ATOM 475 CG LYS A 59 74.022 7.086 -8.886 1.00 0.00 C ATOM 476 CD LYS A 59 72.815 6.625 -9.706 1.00 0.00 C ATOM 477 CE LYS A 59 71.547 7.282 -9.160 1.00 0.00 C ATOM 478 NZ LYS A 59 70.621 7.350 -10.324 1.00 0.00 N ATOM 0 H LYS A 59 76.424 9.150 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 59 76.114 7.247 -10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.515 9.174 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.867 8.779 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.814 6.339 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.744 7.188 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.952 6.889 -10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.724 5.540 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.117 6.697 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.756 8.275 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.726 7.790 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 71.054 7.918 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 70.435 6.389 -10.677 1.00 0.00 H new ATOM 492 N SER A 60 75.877 10.484 -10.887 1.00 0.00 N ATOM 493 CA SER A 60 76.096 11.522 -11.936 1.00 0.00 C ATOM 494 C SER A 60 77.406 11.265 -12.682 1.00 0.00 C ATOM 495 O SER A 60 77.484 11.392 -13.888 1.00 0.00 O ATOM 496 CB SER A 60 76.182 12.838 -11.165 1.00 0.00 C ATOM 497 OG SER A 60 76.980 12.651 -10.007 1.00 0.00 O ATOM 0 H SER A 60 75.462 10.829 -10.021 1.00 0.00 H new ATOM 0 HA SER A 60 75.302 11.524 -12.682 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.613 13.615 -11.796 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.184 13.173 -10.883 1.00 0.00 H new ATOM 0 HG SER A 60 77.237 11.708 -9.936 1.00 0.00 H new ATOM 503 N GLY A 61 78.439 10.911 -11.969 1.00 0.00 N ATOM 504 CA GLY A 61 79.746 10.651 -12.629 1.00 0.00 C ATOM 505 C GLY A 61 80.774 11.658 -12.114 1.00 0.00 C ATOM 506 O GLY A 61 81.827 11.836 -12.694 1.00 0.00 O ATOM 0 H GLY A 61 78.433 10.791 -10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.078 9.634 -12.419 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.645 10.737 -13.711 1.00 0.00 H new ATOM 510 N MET A 62 80.481 12.319 -11.025 1.00 0.00 N ATOM 511 CA MET A 62 81.445 13.306 -10.474 1.00 0.00 C ATOM 512 C MET A 62 82.559 12.577 -9.733 1.00 0.00 C ATOM 513 O MET A 62 83.017 11.531 -10.148 1.00 0.00 O ATOM 514 CB MET A 62 80.627 14.135 -9.494 1.00 0.00 C ATOM 515 CG MET A 62 81.160 15.568 -9.458 1.00 0.00 C ATOM 516 SD MET A 62 79.890 16.698 -10.078 1.00 0.00 S ATOM 517 CE MET A 62 78.577 16.215 -8.930 1.00 0.00 C ATOM 0 H MET A 62 79.615 12.215 -10.496 1.00 0.00 H new ATOM 0 HA MET A 62 81.909 13.916 -11.249 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.578 14.135 -9.790 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.678 13.693 -8.499 1.00 0.00 H new ATOM 0 HG2 MET A 62 81.437 15.839 -8.439 1.00 0.00 H new ATOM 0 HG3 MET A 62 82.061 15.648 -10.066 1.00 0.00 H new ATOM 0 HE1 MET A 62 77.767 16.943 -8.976 1.00 0.00 H new ATOM 0 HE2 MET A 62 78.196 15.232 -9.206 1.00 0.00 H new ATOM 0 HE3 MET A 62 78.975 16.179 -7.916 1.00 0.00 H new ATOM 527 N ARG A 63 82.991 13.116 -8.632 1.00 0.00 N ATOM 528 CA ARG A 63 84.064 12.447 -7.858 1.00 0.00 C ATOM 529 C ARG A 63 83.515 11.244 -7.117 1.00 0.00 C ATOM 530 O ARG A 63 82.559 11.344 -6.373 1.00 0.00 O ATOM 531 CB ARG A 63 84.528 13.457 -6.829 1.00 0.00 C ATOM 532 CG ARG A 63 85.219 14.626 -7.508 1.00 0.00 C ATOM 533 CD ARG A 63 84.778 15.921 -6.819 1.00 0.00 C ATOM 534 NE ARG A 63 85.767 16.946 -7.259 1.00 0.00 N ATOM 535 CZ ARG A 63 85.601 17.569 -8.394 1.00 0.00 C ATOM 536 NH1 ARG A 63 84.634 18.434 -8.529 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.401 17.325 -9.396 1.00 0.00 N ATOM 0 H ARG A 63 82.647 13.991 -8.235 1.00 0.00 H new ATOM 0 HA ARG A 63 84.863 12.114 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.676 13.816 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.211 12.981 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.301 14.514 -7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.962 14.654 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.765 16.199 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.779 15.811 -5.735 1.00 0.00 H new ATOM 0 HE ARG A 63 86.574 17.161 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.007 18.624 -7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.505 18.920 -9.416 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.156 16.647 -9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.271 17.812 -10.283 1.00 0.00 H new ATOM 551 N PHE A 64 84.131 10.120 -7.266 1.00 0.00 N ATOM 552 CA PHE A 64 83.665 8.938 -6.519 1.00 0.00 C ATOM 553 C PHE A 64 84.407 8.904 -5.187 1.00 0.00 C ATOM 554 O PHE A 64 83.857 8.569 -4.159 1.00 0.00 O ATOM 555 CB PHE A 64 84.059 7.742 -7.386 1.00 0.00 C ATOM 556 CG PHE A 64 82.823 7.018 -7.860 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.167 7.440 -9.023 1.00 0.00 C ATOM 558 CD2 PHE A 64 82.337 5.920 -7.141 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.023 6.764 -9.466 1.00 0.00 C ATOM 560 CE2 PHE A 64 81.195 5.244 -7.583 1.00 0.00 C ATOM 561 CZ PHE A 64 80.537 5.666 -8.745 1.00 0.00 C ATOM 0 H PHE A 64 84.937 9.967 -7.872 1.00 0.00 H new ATOM 0 HA PHE A 64 82.594 8.941 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 64 84.643 8.080 -8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.692 7.062 -6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.543 8.287 -9.578 1.00 0.00 H new ATOM 0 HD2 PHE A 64 82.844 5.595 -6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.516 7.089 -10.363 1.00 0.00 H new ATOM 0 HE2 PHE A 64 80.821 4.396 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 64 79.655 5.145 -9.085 1.00 0.00 H new ATOM 571 N ASN A 65 85.669 9.250 -5.211 1.00 0.00 N ATOM 572 CA ASN A 65 86.468 9.236 -3.957 1.00 0.00 C ATOM 573 C ASN A 65 86.440 10.590 -3.235 1.00 0.00 C ATOM 574 O ASN A 65 86.322 10.643 -2.027 1.00 0.00 O ATOM 575 CB ASN A 65 87.878 8.855 -4.385 1.00 0.00 C ATOM 576 CG ASN A 65 88.610 10.074 -4.950 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.032 10.870 -5.662 1.00 0.00 O ATOM 578 ND2 ASN A 65 89.872 10.248 -4.666 1.00 0.00 N ATOM 0 H ASN A 65 86.177 9.541 -6.046 1.00 0.00 H new ATOM 0 HA ASN A 65 86.059 8.529 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.428 8.455 -3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 65 87.837 8.067 -5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 65 90.373 11.053 -5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 65 90.357 9.579 -4.068 1.00 0.00 H new ATOM 585 N GLU A 66 86.542 11.689 -3.944 1.00 0.00 N ATOM 586 CA GLU A 66 86.510 13.005 -3.240 1.00 0.00 C ATOM 587 C GLU A 66 85.267 13.019 -2.375 1.00 0.00 C ATOM 588 O GLU A 66 85.300 13.352 -1.205 1.00 0.00 O ATOM 589 CB GLU A 66 86.436 14.080 -4.325 1.00 0.00 C ATOM 590 CG GLU A 66 87.495 13.806 -5.396 1.00 0.00 C ATOM 591 CD GLU A 66 88.072 15.135 -5.889 1.00 0.00 C ATOM 592 OE1 GLU A 66 87.431 16.151 -5.676 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.145 15.114 -6.469 1.00 0.00 O ATOM 0 H GLU A 66 86.644 11.731 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 66 87.383 13.179 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.443 14.088 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.595 15.065 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 66 88.289 13.181 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.054 13.257 -6.228 1.00 0.00 H new ATOM 600 N VAL A 67 84.176 12.598 -2.940 1.00 0.00 N ATOM 601 CA VAL A 67 82.933 12.518 -2.152 1.00 0.00 C ATOM 602 C VAL A 67 83.171 11.473 -1.049 1.00 0.00 C ATOM 603 O VAL A 67 82.862 11.669 0.107 1.00 0.00 O ATOM 604 CB VAL A 67 81.859 12.026 -3.137 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.814 12.896 -4.400 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.165 10.598 -3.535 1.00 0.00 C ATOM 0 H VAL A 67 84.096 12.307 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 67 82.634 13.461 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 67 80.890 12.089 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 67 81.044 12.520 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.584 13.925 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.782 12.862 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.406 10.244 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.145 10.555 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.165 9.965 -2.648 1.00 0.00 H new ATOM 616 N ALA A 68 83.766 10.368 -1.417 1.00 0.00 N ATOM 617 CA ALA A 68 84.065 9.298 -0.430 1.00 0.00 C ATOM 618 C ALA A 68 84.870 9.882 0.701 1.00 0.00 C ATOM 619 O ALA A 68 84.817 9.435 1.826 1.00 0.00 O ATOM 620 CB ALA A 68 84.897 8.272 -1.189 1.00 0.00 C ATOM 0 H ALA A 68 84.059 10.163 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 68 83.164 8.853 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.157 7.449 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.322 7.889 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.809 8.743 -1.556 1.00 0.00 H new ATOM 626 N ALA A 69 85.629 10.878 0.412 1.00 0.00 N ATOM 627 CA ALA A 69 86.425 11.489 1.478 1.00 0.00 C ATOM 628 C ALA A 69 85.480 12.112 2.499 1.00 0.00 C ATOM 629 O ALA A 69 85.256 11.574 3.565 1.00 0.00 O ATOM 630 CB ALA A 69 87.265 12.563 0.788 1.00 0.00 C ATOM 0 H ALA A 69 85.732 11.294 -0.513 1.00 0.00 H new ATOM 0 HA ALA A 69 87.058 10.774 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.890 13.066 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.898 12.099 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.607 13.291 0.313 1.00 0.00 H new ATOM 636 N GLN A 70 84.946 13.258 2.193 1.00 0.00 N ATOM 637 CA GLN A 70 84.037 13.931 3.167 1.00 0.00 C ATOM 638 C GLN A 70 82.564 13.613 2.993 1.00 0.00 C ATOM 639 O GLN A 70 81.874 13.412 3.973 1.00 0.00 O ATOM 640 CB GLN A 70 84.370 15.404 3.062 1.00 0.00 C ATOM 641 CG GLN A 70 85.693 15.666 3.835 1.00 0.00 C ATOM 642 CD GLN A 70 86.552 14.373 3.950 1.00 0.00 C ATOM 643 OE1 GLN A 70 87.532 14.231 3.246 1.00 0.00 O ATOM 644 NE2 GLN A 70 86.226 13.420 4.811 1.00 0.00 N ATOM 0 H GLN A 70 85.096 13.758 1.317 1.00 0.00 H new ATOM 0 HA GLN A 70 84.208 13.554 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.478 15.695 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.562 16.006 3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.266 16.441 3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 70 85.465 16.042 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 70 85.405 13.530 5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 70 86.796 12.577 4.878 1.00 0.00 H new ATOM 653 N TYR A 71 82.047 13.566 1.793 1.00 0.00 N ATOM 654 CA TYR A 71 80.595 13.251 1.669 1.00 0.00 C ATOM 655 C TYR A 71 80.339 12.046 2.563 1.00 0.00 C ATOM 656 O TYR A 71 79.296 11.900 3.164 1.00 0.00 O ATOM 657 CB TYR A 71 80.326 12.973 0.191 1.00 0.00 C ATOM 658 CG TYR A 71 80.348 14.284 -0.573 1.00 0.00 C ATOM 659 CD1 TYR A 71 81.043 15.402 -0.071 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.662 14.383 -1.786 1.00 0.00 C ATOM 661 CE1 TYR A 71 81.045 16.604 -0.788 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.664 15.587 -2.496 1.00 0.00 C ATOM 663 CZ TYR A 71 80.355 16.697 -1.999 1.00 0.00 C ATOM 664 OH TYR A 71 80.356 17.884 -2.703 1.00 0.00 O ATOM 0 H TYR A 71 82.549 13.727 0.920 1.00 0.00 H new ATOM 0 HA TYR A 71 79.930 14.056 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.079 12.293 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.360 12.484 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.574 15.332 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.129 13.528 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 71 81.580 17.460 -0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 71 79.130 15.661 -3.432 1.00 0.00 H new ATOM 0 HH TYR A 71 81.192 18.366 -2.530 1.00 0.00 H new ATOM 674 N SER A 72 81.349 11.232 2.715 1.00 0.00 N ATOM 675 CA SER A 72 81.258 10.079 3.639 1.00 0.00 C ATOM 676 C SER A 72 81.779 10.550 5.011 1.00 0.00 C ATOM 677 O SER A 72 81.248 11.481 5.583 1.00 0.00 O ATOM 678 CB SER A 72 82.165 9.016 3.024 1.00 0.00 C ATOM 679 OG SER A 72 82.650 8.143 4.033 1.00 0.00 O ATOM 0 H SER A 72 82.241 11.323 2.230 1.00 0.00 H new ATOM 0 HA SER A 72 80.251 9.686 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 72 81.615 8.447 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.001 9.493 2.512 1.00 0.00 H new ATOM 0 HG SER A 72 83.413 7.635 3.687 1.00 0.00 H new ATOM 685 N GLU A 73 82.803 9.941 5.544 1.00 0.00 N ATOM 686 CA GLU A 73 83.330 10.373 6.858 1.00 0.00 C ATOM 687 C GLU A 73 84.412 9.408 7.337 1.00 0.00 C ATOM 688 O GLU A 73 84.544 9.134 8.513 1.00 0.00 O ATOM 689 CB GLU A 73 82.131 10.332 7.777 1.00 0.00 C ATOM 690 CG GLU A 73 81.723 11.762 8.083 1.00 0.00 C ATOM 691 CD GLU A 73 82.338 12.204 9.414 1.00 0.00 C ATOM 692 OE1 GLU A 73 83.147 11.461 9.946 1.00 0.00 O ATOM 693 OE2 GLU A 73 81.989 13.277 9.878 1.00 0.00 O ATOM 0 H GLU A 73 83.297 9.157 5.118 1.00 0.00 H new ATOM 0 HA GLU A 73 83.788 11.361 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 73 81.308 9.794 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 73 82.374 9.800 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 73 82.053 12.423 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 73 80.637 11.837 8.131 1.00 0.00 H new ATOM 700 N ASP A 74 85.187 8.894 6.430 1.00 0.00 N ATOM 701 CA ASP A 74 86.268 7.943 6.815 1.00 0.00 C ATOM 702 C ASP A 74 87.079 7.549 5.576 1.00 0.00 C ATOM 703 O ASP A 74 87.455 8.389 4.782 1.00 0.00 O ATOM 704 CB ASP A 74 85.538 6.733 7.402 1.00 0.00 C ATOM 705 CG ASP A 74 86.478 5.979 8.345 1.00 0.00 C ATOM 706 OD1 ASP A 74 87.349 5.283 7.850 1.00 0.00 O ATOM 707 OD2 ASP A 74 86.310 6.111 9.546 1.00 0.00 O ATOM 0 H ASP A 74 85.120 9.091 5.431 1.00 0.00 H new ATOM 0 HA ASP A 74 86.971 8.371 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 74 84.648 7.058 7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 74 85.203 6.074 6.602 1.00 0.00 H new ATOM 712 N LYS A 75 87.349 6.285 5.396 1.00 0.00 N ATOM 713 CA LYS A 75 88.132 5.858 4.201 1.00 0.00 C ATOM 714 C LYS A 75 87.440 6.339 2.922 1.00 0.00 C ATOM 715 O LYS A 75 86.235 6.487 2.876 1.00 0.00 O ATOM 716 CB LYS A 75 88.146 4.330 4.262 1.00 0.00 C ATOM 717 CG LYS A 75 89.591 3.825 4.240 1.00 0.00 C ATOM 718 CD LYS A 75 90.135 3.884 2.810 1.00 0.00 C ATOM 719 CE LYS A 75 91.073 2.699 2.573 1.00 0.00 C ATOM 720 NZ LYS A 75 92.365 3.311 2.148 1.00 0.00 N ATOM 0 H LYS A 75 87.063 5.532 6.022 1.00 0.00 H new ATOM 0 HA LYS A 75 89.140 6.273 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 75 87.645 3.988 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 75 87.594 3.918 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 75 90.209 4.433 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 75 89.635 2.802 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 75 89.313 3.859 2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 75 90.668 4.821 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 75 91.196 2.105 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 75 90.681 2.032 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 93.062 2.560 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 92.218 3.864 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 92.718 3.936 2.901 1.00 0.00 H new ATOM 799 N ASP A 81 86.246 2.792 -0.217 1.00 0.00 N ATOM 800 CA ASP A 81 86.914 1.490 -0.511 1.00 0.00 C ATOM 801 C ASP A 81 87.827 1.078 0.646 1.00 0.00 C ATOM 802 O ASP A 81 89.024 1.272 0.599 1.00 0.00 O ATOM 803 CB ASP A 81 87.745 1.742 -1.770 1.00 0.00 C ATOM 804 CG ASP A 81 87.667 0.518 -2.686 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.439 -0.566 -2.174 1.00 0.00 O ATOM 806 OD2 ASP A 81 87.837 0.686 -3.883 1.00 0.00 O ATOM 0 HA ASP A 81 86.190 0.687 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.375 2.624 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 81 88.782 1.942 -1.500 1.00 0.00 H new ATOM 811 N LEU A 82 87.278 0.504 1.683 1.00 0.00 N ATOM 812 CA LEU A 82 88.133 0.082 2.822 1.00 0.00 C ATOM 813 C LEU A 82 89.110 -1.009 2.349 1.00 0.00 C ATOM 814 O LEU A 82 90.228 -1.097 2.816 1.00 0.00 O ATOM 815 CB LEU A 82 87.136 -0.428 3.882 1.00 0.00 C ATOM 816 CG LEU A 82 87.506 -1.835 4.356 1.00 0.00 C ATOM 817 CD1 LEU A 82 88.883 -1.800 5.025 1.00 0.00 C ATOM 818 CD2 LEU A 82 86.461 -2.328 5.358 1.00 0.00 C ATOM 0 H LEU A 82 86.282 0.312 1.788 1.00 0.00 H new ATOM 0 HA LEU A 82 88.753 0.880 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 82 87.124 0.254 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 82 86.129 -0.435 3.465 1.00 0.00 H new ATOM 0 HG LEU A 82 87.534 -2.512 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 82 89.149 -2.801 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 82 89.627 -1.450 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 82 88.855 -1.124 5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 82 86.725 -3.330 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 82 86.431 -1.653 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 82 85.482 -2.352 4.880 1.00 0.00 H new ATOM 830 N GLY A 83 88.696 -1.831 1.420 1.00 0.00 N ATOM 831 CA GLY A 83 89.605 -2.902 0.915 1.00 0.00 C ATOM 832 C GLY A 83 88.908 -4.261 1.011 1.00 0.00 C ATOM 833 O GLY A 83 88.028 -4.464 1.823 1.00 0.00 O ATOM 0 H GLY A 83 87.771 -1.807 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.883 -2.698 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.527 -2.914 1.497 1.00 0.00 H new ATOM 837 N TRP A 84 89.302 -5.200 0.189 1.00 0.00 N ATOM 838 CA TRP A 84 88.669 -6.549 0.239 1.00 0.00 C ATOM 839 C TRP A 84 88.510 -6.989 1.697 1.00 0.00 C ATOM 840 O TRP A 84 89.334 -6.683 2.536 1.00 0.00 O ATOM 841 CB TRP A 84 89.644 -7.466 -0.505 1.00 0.00 C ATOM 842 CG TRP A 84 89.331 -7.453 -1.961 1.00 0.00 C ATOM 843 CD1 TRP A 84 89.680 -6.469 -2.799 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.620 -8.443 -2.759 1.00 0.00 C ATOM 845 NE1 TRP A 84 89.228 -6.775 -4.072 1.00 0.00 N ATOM 846 CE2 TRP A 84 88.566 -7.987 -4.098 1.00 0.00 C ATOM 847 CE3 TRP A 84 88.020 -9.676 -2.456 1.00 0.00 C ATOM 848 CZ2 TRP A 84 87.938 -8.731 -5.100 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.389 -10.425 -3.460 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.346 -9.957 -4.778 1.00 0.00 C ATOM 0 H TRP A 84 90.034 -5.090 -0.513 1.00 0.00 H new ATOM 0 HA TRP A 84 87.676 -6.568 -0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.669 -7.134 -0.340 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.572 -8.482 -0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 84 90.227 -5.579 -2.526 1.00 0.00 H new ATOM 0 HE1 TRP A 84 89.367 -6.180 -4.888 1.00 0.00 H new ATOM 0 HE3 TRP A 84 88.045 -10.050 -1.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 87.910 -8.363 -6.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.932 -11.372 -3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.857 -10.540 -5.544 1.00 0.00 H new ATOM 861 N MET A 85 87.456 -7.691 2.014 1.00 0.00 N ATOM 862 CA MET A 85 87.259 -8.127 3.427 1.00 0.00 C ATOM 863 C MET A 85 86.490 -9.449 3.487 1.00 0.00 C ATOM 864 O MET A 85 85.677 -9.748 2.636 1.00 0.00 O ATOM 865 CB MET A 85 86.444 -7.008 4.072 1.00 0.00 C ATOM 866 CG MET A 85 87.128 -6.560 5.364 1.00 0.00 C ATOM 867 SD MET A 85 85.944 -5.656 6.392 1.00 0.00 S ATOM 868 CE MET A 85 87.037 -5.383 7.807 1.00 0.00 C ATOM 0 H MET A 85 86.727 -7.980 1.361 1.00 0.00 H new ATOM 0 HA MET A 85 88.208 -8.296 3.937 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.354 -6.167 3.385 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.433 -7.356 4.285 1.00 0.00 H new ATOM 0 HG2 MET A 85 87.509 -7.426 5.905 1.00 0.00 H new ATOM 0 HG3 MET A 85 87.984 -5.926 5.134 1.00 0.00 H new ATOM 0 HE1 MET A 85 86.475 -5.516 8.732 1.00 0.00 H new ATOM 0 HE2 MET A 85 87.859 -6.099 7.775 1.00 0.00 H new ATOM 0 HE3 MET A 85 87.437 -4.370 7.768 1.00 0.00 H new ATOM 878 N THR A 86 86.741 -10.240 4.495 1.00 0.00 N ATOM 879 CA THR A 86 86.025 -11.542 4.623 1.00 0.00 C ATOM 880 C THR A 86 85.259 -11.611 5.931 1.00 0.00 C ATOM 881 O THR A 86 85.615 -11.012 6.926 1.00 0.00 O ATOM 882 CB THR A 86 87.076 -12.632 4.595 1.00 0.00 C ATOM 883 OG1 THR A 86 86.461 -13.881 4.879 1.00 0.00 O ATOM 884 CG2 THR A 86 88.134 -12.335 5.647 1.00 0.00 C ATOM 0 H THR A 86 87.412 -10.040 5.237 1.00 0.00 H new ATOM 0 HA THR A 86 85.307 -11.658 3.811 1.00 0.00 H new ATOM 0 HB THR A 86 87.543 -12.671 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 86 85.949 -14.179 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.893 -13.117 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 86 88.600 -11.373 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.668 -12.302 6.632 1.00 0.00 H new ATOM 892 N ARG A 87 84.205 -12.347 5.912 1.00 0.00 N ATOM 893 CA ARG A 87 83.360 -12.505 7.132 1.00 0.00 C ATOM 894 C ARG A 87 84.243 -12.630 8.376 1.00 0.00 C ATOM 895 O ARG A 87 83.858 -12.248 9.465 1.00 0.00 O ATOM 896 CB ARG A 87 82.574 -13.796 6.903 1.00 0.00 C ATOM 897 CG ARG A 87 81.076 -13.516 7.038 1.00 0.00 C ATOM 898 CD ARG A 87 80.368 -14.770 7.561 1.00 0.00 C ATOM 899 NE ARG A 87 80.762 -14.862 8.995 1.00 0.00 N ATOM 900 CZ ARG A 87 79.897 -15.267 9.886 1.00 0.00 C ATOM 901 NH1 ARG A 87 79.759 -16.541 10.130 1.00 0.00 N ATOM 902 NH2 ARG A 87 79.172 -14.396 10.532 1.00 0.00 N ATOM 0 H ARG A 87 83.876 -12.861 5.094 1.00 0.00 H new ATOM 0 HA ARG A 87 82.704 -11.649 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.792 -14.195 5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.879 -14.553 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.911 -12.681 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.661 -13.227 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 87 79.287 -14.687 7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.677 -15.658 7.009 1.00 0.00 H new ATOM 0 HE ARG A 87 81.708 -14.609 9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 87 80.327 -17.221 9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 87 79.083 -16.857 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 87 79.281 -13.400 10.341 1.00 0.00 H new ATOM 0 HH22 ARG A 87 78.496 -14.711 11.228 1.00 0.00 H new ATOM 916 N GLY A 88 85.424 -13.164 8.225 1.00 0.00 N ATOM 917 CA GLY A 88 86.331 -13.319 9.397 1.00 0.00 C ATOM 918 C GLY A 88 86.568 -11.956 10.053 1.00 0.00 C ATOM 919 O GLY A 88 86.733 -11.857 11.252 1.00 0.00 O ATOM 0 H GLY A 88 85.800 -13.500 7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 88 85.893 -14.009 10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 88 87.280 -13.750 9.079 1.00 0.00 H new ATOM 923 N SER A 89 86.592 -10.904 9.280 1.00 0.00 N ATOM 924 CA SER A 89 86.823 -9.553 9.871 1.00 0.00 C ATOM 925 C SER A 89 85.554 -8.701 9.775 1.00 0.00 C ATOM 926 O SER A 89 85.603 -7.489 9.843 1.00 0.00 O ATOM 927 CB SER A 89 87.945 -8.941 9.034 1.00 0.00 C ATOM 928 OG SER A 89 89.193 -9.471 9.457 1.00 0.00 O ATOM 0 H SER A 89 86.462 -10.920 8.268 1.00 0.00 H new ATOM 0 HA SER A 89 87.084 -9.607 10.928 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.785 -9.157 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.943 -7.856 9.141 1.00 0.00 H new ATOM 0 HG SER A 89 89.913 -9.080 8.920 1.00 0.00 H new ATOM 934 N MET A 90 84.419 -9.325 9.621 1.00 0.00 N ATOM 935 CA MET A 90 83.148 -8.550 9.525 1.00 0.00 C ATOM 936 C MET A 90 82.354 -8.679 10.829 1.00 0.00 C ATOM 937 O MET A 90 82.708 -9.440 11.707 1.00 0.00 O ATOM 938 CB MET A 90 82.385 -9.183 8.361 1.00 0.00 C ATOM 939 CG MET A 90 81.962 -8.094 7.373 1.00 0.00 C ATOM 940 SD MET A 90 81.562 -8.848 5.777 1.00 0.00 S ATOM 941 CE MET A 90 82.195 -7.514 4.731 1.00 0.00 C ATOM 0 H MET A 90 84.316 -10.338 9.557 1.00 0.00 H new ATOM 0 HA MET A 90 83.321 -7.486 9.364 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.012 -9.920 7.859 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.507 -9.712 8.733 1.00 0.00 H new ATOM 0 HG2 MET A 90 81.097 -7.554 7.759 1.00 0.00 H new ATOM 0 HG3 MET A 90 82.764 -7.366 7.252 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.296 -7.872 3.706 1.00 0.00 H new ATOM 0 HE2 MET A 90 81.502 -6.673 4.755 1.00 0.00 H new ATOM 0 HE3 MET A 90 83.169 -7.193 5.101 1.00 0.00 H new ATOM 951 N VAL A 91 81.287 -7.939 10.966 1.00 0.00 N ATOM 952 CA VAL A 91 80.483 -8.024 12.219 1.00 0.00 C ATOM 953 C VAL A 91 79.135 -8.709 11.945 1.00 0.00 C ATOM 954 O VAL A 91 79.088 -9.846 11.520 1.00 0.00 O ATOM 955 CB VAL A 91 80.290 -6.572 12.662 1.00 0.00 C ATOM 956 CG1 VAL A 91 81.632 -5.995 13.114 1.00 0.00 C ATOM 957 CG2 VAL A 91 79.747 -5.750 11.491 1.00 0.00 C ATOM 0 H VAL A 91 80.938 -7.282 10.268 1.00 0.00 H new ATOM 0 HA VAL A 91 80.974 -8.617 12.991 1.00 0.00 H new ATOM 0 HB VAL A 91 79.582 -6.535 13.490 1.00 0.00 H new ATOM 0 HG11 VAL A 91 81.496 -4.961 13.430 1.00 0.00 H new ATOM 0 HG12 VAL A 91 82.018 -6.581 13.948 1.00 0.00 H new ATOM 0 HG13 VAL A 91 82.341 -6.031 12.287 1.00 0.00 H new ATOM 0 HG21 VAL A 91 79.609 -4.716 11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 91 80.454 -5.786 10.662 1.00 0.00 H new ATOM 0 HG23 VAL A 91 78.790 -6.162 11.170 1.00 0.00 H new ATOM 967 N GLY A 92 78.038 -8.037 12.189 1.00 0.00 N ATOM 968 CA GLY A 92 76.711 -8.670 11.944 1.00 0.00 C ATOM 969 C GLY A 92 76.034 -8.014 10.734 1.00 0.00 C ATOM 970 O GLY A 92 76.008 -8.582 9.661 1.00 0.00 O ATOM 0 H GLY A 92 78.006 -7.082 12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 92 76.835 -9.738 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.080 -8.564 12.826 1.00 0.00 H new ATOM 974 N PRO A 93 75.496 -6.837 10.947 1.00 0.00 N ATOM 975 CA PRO A 93 74.802 -6.106 9.859 1.00 0.00 C ATOM 976 C PRO A 93 75.740 -5.872 8.671 1.00 0.00 C ATOM 977 O PRO A 93 75.342 -5.977 7.527 1.00 0.00 O ATOM 978 CB PRO A 93 74.416 -4.786 10.534 1.00 0.00 C ATOM 979 CG PRO A 93 74.904 -4.815 11.995 1.00 0.00 C ATOM 980 CD PRO A 93 75.556 -6.175 12.273 1.00 0.00 C ATOM 0 HA PRO A 93 73.948 -6.644 9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.863 -3.946 10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.336 -4.646 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.619 -4.011 12.170 1.00 0.00 H new ATOM 0 HG3 PRO A 93 74.068 -4.651 12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 93 76.581 -6.069 12.627 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.013 -6.738 13.032 1.00 0.00 H new ATOM 988 N PHE A 94 76.978 -5.553 8.926 1.00 0.00 N ATOM 989 CA PHE A 94 77.930 -5.312 7.804 1.00 0.00 C ATOM 990 C PHE A 94 77.931 -6.503 6.840 1.00 0.00 C ATOM 991 O PHE A 94 77.861 -6.340 5.639 1.00 0.00 O ATOM 992 CB PHE A 94 79.297 -5.159 8.468 1.00 0.00 C ATOM 993 CG PHE A 94 80.157 -4.237 7.637 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.901 -2.860 7.629 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.208 -4.758 6.873 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.697 -2.005 6.857 1.00 0.00 C ATOM 997 CE2 PHE A 94 82.003 -3.901 6.101 1.00 0.00 C ATOM 998 CZ PHE A 94 81.748 -2.525 6.094 1.00 0.00 C ATOM 0 H PHE A 94 77.372 -5.449 9.861 1.00 0.00 H new ATOM 0 HA PHE A 94 77.660 -4.433 7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.182 -4.758 9.475 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.777 -6.133 8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 94 79.090 -2.458 8.218 1.00 0.00 H new ATOM 0 HD2 PHE A 94 81.406 -5.820 6.879 1.00 0.00 H new ATOM 0 HE1 PHE A 94 80.499 -0.943 6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.813 -4.303 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 94 82.362 -1.865 5.500 1.00 0.00 H new ATOM 1008 N GLN A 95 78.006 -7.699 7.358 1.00 0.00 N ATOM 1009 CA GLN A 95 78.009 -8.896 6.468 1.00 0.00 C ATOM 1010 C GLN A 95 76.573 -9.339 6.174 1.00 0.00 C ATOM 1011 O GLN A 95 76.234 -9.677 5.059 1.00 0.00 O ATOM 1012 CB GLN A 95 78.752 -9.973 7.259 1.00 0.00 C ATOM 1013 CG GLN A 95 78.629 -11.315 6.534 1.00 0.00 C ATOM 1014 CD GLN A 95 77.996 -12.344 7.472 1.00 0.00 C ATOM 1015 OE1 GLN A 95 78.070 -12.210 8.677 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.374 -13.374 6.968 1.00 0.00 N ATOM 0 H GLN A 95 78.065 -7.899 8.356 1.00 0.00 H new ATOM 0 HA GLN A 95 78.482 -8.697 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 95 79.802 -9.701 7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.338 -10.051 8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.020 -11.202 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.612 -11.658 6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 95 77.311 -13.487 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 95 76.950 -14.066 7.586 1.00 0.00 H new ATOM 1025 N GLU A 96 75.729 -9.339 7.169 1.00 0.00 N ATOM 1026 CA GLU A 96 74.315 -9.761 6.948 1.00 0.00 C ATOM 1027 C GLU A 96 73.762 -9.130 5.667 1.00 0.00 C ATOM 1028 O GLU A 96 73.475 -9.812 4.702 1.00 0.00 O ATOM 1029 CB GLU A 96 73.556 -9.245 8.170 1.00 0.00 C ATOM 1030 CG GLU A 96 73.601 -10.296 9.279 1.00 0.00 C ATOM 1031 CD GLU A 96 72.832 -9.784 10.499 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.620 -9.674 10.407 1.00 0.00 O ATOM 1033 OE2 GLU A 96 73.467 -9.510 11.503 1.00 0.00 O ATOM 0 H GLU A 96 75.956 -9.065 8.125 1.00 0.00 H new ATOM 0 HA GLU A 96 74.221 -10.841 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 96 73.999 -8.313 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.522 -9.026 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.165 -11.231 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.635 -10.509 9.551 1.00 0.00 H new ATOM 1040 N ALA A 97 73.610 -7.835 5.651 1.00 0.00 N ATOM 1041 CA ALA A 97 73.073 -7.161 4.433 1.00 0.00 C ATOM 1042 C ALA A 97 73.937 -7.492 3.216 1.00 0.00 C ATOM 1043 O ALA A 97 73.476 -8.062 2.248 1.00 0.00 O ATOM 1044 CB ALA A 97 73.143 -5.665 4.748 1.00 0.00 C ATOM 0 H ALA A 97 73.834 -7.213 6.428 1.00 0.00 H new ATOM 0 HA ALA A 97 72.059 -7.484 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 97 72.765 -5.096 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 97 72.537 -5.450 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.178 -5.382 4.942 1.00 0.00 H new ATOM 1050 N ALA A 98 75.187 -7.131 3.259 1.00 0.00 N ATOM 1051 CA ALA A 98 76.090 -7.416 2.106 1.00 0.00 C ATOM 1052 C ALA A 98 75.887 -8.850 1.607 1.00 0.00 C ATOM 1053 O ALA A 98 75.248 -9.081 0.600 1.00 0.00 O ATOM 1054 CB ALA A 98 77.505 -7.237 2.660 1.00 0.00 C ATOM 0 H ALA A 98 75.626 -6.649 4.044 1.00 0.00 H new ATOM 0 HA ALA A 98 75.894 -6.758 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.232 -7.430 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.627 -6.217 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 98 77.666 -7.937 3.480 1.00 0.00 H new ATOM 1060 N PHE A 99 76.430 -9.813 2.302 1.00 0.00 N ATOM 1061 CA PHE A 99 76.274 -11.231 1.863 1.00 0.00 C ATOM 1062 C PHE A 99 74.837 -11.497 1.410 1.00 0.00 C ATOM 1063 O PHE A 99 74.592 -12.304 0.535 1.00 0.00 O ATOM 1064 CB PHE A 99 76.610 -12.068 3.097 1.00 0.00 C ATOM 1065 CG PHE A 99 78.000 -12.637 2.951 1.00 0.00 C ATOM 1066 CD1 PHE A 99 79.110 -11.785 2.973 1.00 0.00 C ATOM 1067 CD2 PHE A 99 78.178 -14.016 2.790 1.00 0.00 C ATOM 1068 CE1 PHE A 99 80.400 -12.312 2.836 1.00 0.00 C ATOM 1069 CE2 PHE A 99 79.468 -14.543 2.653 1.00 0.00 C ATOM 1070 CZ PHE A 99 80.578 -13.691 2.676 1.00 0.00 C ATOM 0 H PHE A 99 76.975 -9.680 3.154 1.00 0.00 H new ATOM 0 HA PHE A 99 76.919 -11.471 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 99 76.549 -11.453 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 99 75.885 -12.874 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 99 78.972 -10.721 3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 99 77.321 -14.673 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 99 81.257 -11.655 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 99 79.606 -15.607 2.530 1.00 0.00 H new ATOM 0 HZ PHE A 99 81.573 -14.098 2.570 1.00 0.00 H new ATOM 1080 N ALA A 100 73.884 -10.829 1.999 1.00 0.00 N ATOM 1081 CA ALA A 100 72.464 -11.051 1.599 1.00 0.00 C ATOM 1082 C ALA A 100 72.152 -10.294 0.305 1.00 0.00 C ATOM 1083 O ALA A 100 71.497 -10.807 -0.581 1.00 0.00 O ATOM 1084 CB ALA A 100 71.633 -10.498 2.757 1.00 0.00 C ATOM 0 H ALA A 100 74.025 -10.141 2.738 1.00 0.00 H new ATOM 0 HA ALA A 100 72.250 -12.103 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 100 70.573 -10.625 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 100 71.881 -11.036 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 100 71.852 -9.438 2.888 1.00 0.00 H new ATOM 1090 N LEU A 101 72.611 -9.078 0.191 1.00 0.00 N ATOM 1091 CA LEU A 101 72.336 -8.292 -1.043 1.00 0.00 C ATOM 1092 C LEU A 101 73.423 -8.556 -2.102 1.00 0.00 C ATOM 1093 O LEU A 101 74.467 -9.096 -1.795 1.00 0.00 O ATOM 1094 CB LEU A 101 72.340 -6.836 -0.583 1.00 0.00 C ATOM 1095 CG LEU A 101 73.746 -6.440 -0.142 1.00 0.00 C ATOM 1096 CD1 LEU A 101 74.564 -6.082 -1.374 1.00 0.00 C ATOM 1097 CD2 LEU A 101 73.666 -5.227 0.783 1.00 0.00 C ATOM 0 H LEU A 101 73.164 -8.596 0.899 1.00 0.00 H new ATOM 0 HA LEU A 101 71.390 -8.561 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 101 72.006 -6.188 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 101 71.639 -6.703 0.241 1.00 0.00 H new ATOM 0 HG LEU A 101 74.215 -7.268 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 101 75.572 -5.797 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 101 74.615 -6.943 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 101 74.092 -5.249 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 101 74.670 -4.943 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 101 73.204 -4.395 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 101 73.067 -5.476 1.659 1.00 0.00 H new ATOM 1109 N PRO A 102 73.121 -8.192 -3.329 1.00 0.00 N ATOM 1110 CA PRO A 102 74.055 -8.416 -4.466 1.00 0.00 C ATOM 1111 C PRO A 102 75.322 -7.562 -4.355 1.00 0.00 C ATOM 1112 O PRO A 102 75.338 -6.526 -3.727 1.00 0.00 O ATOM 1113 CB PRO A 102 73.228 -7.958 -5.670 1.00 0.00 C ATOM 1114 CG PRO A 102 71.856 -7.466 -5.173 1.00 0.00 C ATOM 1115 CD PRO A 102 71.830 -7.539 -3.644 1.00 0.00 C ATOM 0 HA PRO A 102 74.404 -9.447 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.745 -7.159 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.101 -8.780 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.679 -6.443 -5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.060 -8.080 -5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.755 -6.550 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 102 70.983 -8.120 -3.280 1.00 0.00 H new ATOM 1123 N VAL A 103 76.376 -7.982 -5.000 1.00 0.00 N ATOM 1124 CA VAL A 103 77.646 -7.196 -4.979 1.00 0.00 C ATOM 1125 C VAL A 103 77.334 -5.725 -5.316 1.00 0.00 C ATOM 1126 O VAL A 103 76.194 -5.377 -5.535 1.00 0.00 O ATOM 1127 CB VAL A 103 78.501 -7.874 -6.070 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.444 -6.871 -6.741 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.328 -9.001 -5.442 1.00 0.00 C ATOM 0 H VAL A 103 76.413 -8.843 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 103 78.157 -7.185 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 103 77.829 -8.275 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.032 -7.380 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 103 78.860 -6.075 -7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 103 80.112 -6.443 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.933 -9.481 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 103 79.981 -8.588 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 103 78.660 -9.737 -4.994 1.00 0.00 H new ATOM 1139 N SER A 104 78.332 -4.871 -5.350 1.00 0.00 N ATOM 1140 CA SER A 104 78.110 -3.420 -5.679 1.00 0.00 C ATOM 1141 C SER A 104 77.359 -2.690 -4.562 1.00 0.00 C ATOM 1142 O SER A 104 77.055 -3.247 -3.527 1.00 0.00 O ATOM 1143 CB SER A 104 77.286 -3.396 -6.972 1.00 0.00 C ATOM 1144 OG SER A 104 78.117 -3.745 -8.069 1.00 0.00 O ATOM 0 H SER A 104 79.303 -5.119 -5.162 1.00 0.00 H new ATOM 0 HA SER A 104 79.065 -2.908 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.452 -4.094 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 104 76.860 -2.405 -7.126 1.00 0.00 H new ATOM 0 HG SER A 104 77.591 -3.732 -8.895 1.00 0.00 H new ATOM 1150 N GLY A 105 77.069 -1.431 -4.779 1.00 0.00 N ATOM 1151 CA GLY A 105 76.344 -0.626 -3.754 1.00 0.00 C ATOM 1152 C GLY A 105 75.981 0.738 -4.346 1.00 0.00 C ATOM 1153 O GLY A 105 75.283 0.831 -5.336 1.00 0.00 O ATOM 0 H GLY A 105 77.307 -0.924 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 105 75.442 -1.149 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 105 76.967 -0.497 -2.869 1.00 0.00 H new ATOM 1157 N MET A 106 76.453 1.798 -3.746 1.00 0.00 N ATOM 1158 CA MET A 106 76.146 3.159 -4.267 1.00 0.00 C ATOM 1159 C MET A 106 74.633 3.412 -4.232 1.00 0.00 C ATOM 1160 O MET A 106 74.136 4.073 -3.344 1.00 0.00 O ATOM 1161 CB MET A 106 76.684 3.162 -5.697 1.00 0.00 C ATOM 1162 CG MET A 106 76.619 4.581 -6.267 1.00 0.00 C ATOM 1163 SD MET A 106 76.920 4.527 -8.050 1.00 0.00 S ATOM 1164 CE MET A 106 75.356 3.748 -8.523 1.00 0.00 C ATOM 0 H MET A 106 77.041 1.778 -2.913 1.00 0.00 H new ATOM 0 HA MET A 106 76.599 3.950 -3.670 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.712 2.801 -5.710 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.100 2.483 -6.318 1.00 0.00 H new ATOM 0 HG2 MET A 106 75.643 5.021 -6.065 1.00 0.00 H new ATOM 0 HG3 MET A 106 77.361 5.214 -5.781 1.00 0.00 H new ATOM 0 HE1 MET A 106 75.559 2.819 -9.055 1.00 0.00 H new ATOM 0 HE2 MET A 106 74.771 3.534 -7.629 1.00 0.00 H new ATOM 0 HE3 MET A 106 74.795 4.422 -9.170 1.00 0.00 H new ATOM 1174 N ASP A 107 73.894 2.890 -5.179 1.00 0.00 N ATOM 1175 CA ASP A 107 72.415 3.108 -5.171 1.00 0.00 C ATOM 1176 C ASP A 107 71.763 2.546 -6.441 1.00 0.00 C ATOM 1177 O ASP A 107 71.209 3.282 -7.232 1.00 0.00 O ATOM 1178 CB ASP A 107 72.231 4.626 -5.123 1.00 0.00 C ATOM 1179 CG ASP A 107 73.165 5.283 -6.141 1.00 0.00 C ATOM 1180 OD1 ASP A 107 73.114 4.897 -7.297 1.00 0.00 O ATOM 1181 OD2 ASP A 107 73.916 6.160 -5.748 1.00 0.00 O ATOM 0 H ASP A 107 74.248 2.326 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 107 71.947 2.602 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 107 71.195 4.885 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 107 72.447 4.998 -4.122 1.00 0.00 H new ATOM 1186 N LYS A 108 71.808 1.255 -6.645 1.00 0.00 N ATOM 1187 CA LYS A 108 71.170 0.684 -7.863 1.00 0.00 C ATOM 1188 C LYS A 108 71.458 -0.822 -7.995 1.00 0.00 C ATOM 1189 O LYS A 108 70.538 -1.610 -8.098 1.00 0.00 O ATOM 1190 CB LYS A 108 71.781 1.455 -9.028 1.00 0.00 C ATOM 1191 CG LYS A 108 70.670 2.120 -9.843 1.00 0.00 C ATOM 1192 CD LYS A 108 70.501 1.382 -11.172 1.00 0.00 C ATOM 1193 CE LYS A 108 69.108 0.750 -11.232 1.00 0.00 C ATOM 1194 NZ LYS A 108 68.281 1.723 -12.001 1.00 0.00 N ATOM 0 H LYS A 108 72.255 0.579 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 108 70.085 0.779 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.473 2.210 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 108 72.357 0.780 -9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.734 2.103 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.914 3.167 -10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 108 70.634 2.074 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.266 0.612 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.136 -0.222 -11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 108 68.703 0.590 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 67.309 1.362 -12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 68.268 2.637 -11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 68.687 1.850 -12.950 1.00 0.00 H new ATOM 1208 N PRO A 109 72.720 -1.184 -8.004 1.00 0.00 N ATOM 1209 CA PRO A 109 73.096 -2.614 -8.145 1.00 0.00 C ATOM 1210 C PRO A 109 72.546 -3.458 -6.987 1.00 0.00 C ATOM 1211 O PRO A 109 71.759 -4.361 -7.186 1.00 0.00 O ATOM 1212 CB PRO A 109 74.624 -2.566 -8.097 1.00 0.00 C ATOM 1213 CG PRO A 109 75.073 -1.102 -7.928 1.00 0.00 C ATOM 1214 CD PRO A 109 73.831 -0.204 -7.876 1.00 0.00 C ATOM 0 HA PRO A 109 72.697 -3.071 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 109 74.994 -3.172 -7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 109 75.043 -2.985 -9.012 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.657 -0.990 -7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.717 -0.807 -8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 109 73.773 0.355 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.824 0.526 -8.686 1.00 0.00 H new ATOM 1222 N VAL A 110 72.983 -3.185 -5.786 1.00 0.00 N ATOM 1223 CA VAL A 110 72.513 -3.981 -4.603 1.00 0.00 C ATOM 1224 C VAL A 110 70.999 -4.145 -4.582 1.00 0.00 C ATOM 1225 O VAL A 110 70.294 -3.824 -5.517 1.00 0.00 O ATOM 1226 CB VAL A 110 72.908 -3.190 -3.356 1.00 0.00 C ATOM 1227 CG1 VAL A 110 74.294 -3.602 -2.888 1.00 0.00 C ATOM 1228 CG2 VAL A 110 72.859 -1.689 -3.634 1.00 0.00 C ATOM 0 H VAL A 110 73.648 -2.443 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 110 72.960 -4.974 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 110 72.194 -3.413 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 110 74.563 -3.031 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 110 74.296 -4.666 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 110 75.018 -3.405 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.143 -1.143 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 110 73.551 -1.446 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 110 71.848 -1.406 -3.926 1.00 0.00 H new ATOM 1238 N PHE A 111 70.504 -4.634 -3.480 1.00 0.00 N ATOM 1239 CA PHE A 111 69.046 -4.828 -3.322 1.00 0.00 C ATOM 1240 C PHE A 111 68.535 -3.966 -2.167 1.00 0.00 C ATOM 1241 O PHE A 111 67.352 -3.728 -2.030 1.00 0.00 O ATOM 1242 CB PHE A 111 68.899 -6.305 -2.983 1.00 0.00 C ATOM 1243 CG PHE A 111 68.335 -7.049 -4.168 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.855 -6.827 -5.449 1.00 0.00 C ATOM 1245 CD2 PHE A 111 67.291 -7.966 -3.986 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.331 -7.519 -6.547 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.768 -8.657 -5.085 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.287 -8.434 -6.365 1.00 0.00 C ATOM 0 H PHE A 111 71.062 -4.910 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 111 68.480 -4.547 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 111 69.868 -6.722 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 111 68.243 -6.426 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.661 -6.122 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 111 66.890 -8.139 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 111 68.732 -7.347 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.963 -9.363 -4.945 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.882 -8.968 -7.212 1.00 0.00 H new ATOM 1258 N THR A 112 69.423 -3.504 -1.328 1.00 0.00 N ATOM 1259 CA THR A 112 68.988 -2.664 -0.174 1.00 0.00 C ATOM 1260 C THR A 112 69.514 -1.238 -0.320 1.00 0.00 C ATOM 1261 O THR A 112 69.862 -0.793 -1.396 1.00 0.00 O ATOM 1262 CB THR A 112 69.617 -3.319 1.058 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.147 -2.666 2.229 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.139 -3.194 0.978 1.00 0.00 C ATOM 0 H THR A 112 70.427 -3.671 -1.391 1.00 0.00 H new ATOM 0 HA THR A 112 67.902 -2.605 -0.108 1.00 0.00 H new ATOM 0 HB THR A 112 69.341 -4.373 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 112 68.232 -2.347 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.589 -3.660 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.498 -3.692 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.416 -2.140 0.945 1.00 0.00 H new ATOM 1272 N ASP A 113 69.592 -0.528 0.769 1.00 0.00 N ATOM 1273 CA ASP A 113 70.117 0.861 0.724 1.00 0.00 C ATOM 1274 C ASP A 113 71.542 0.857 1.284 1.00 0.00 C ATOM 1275 O ASP A 113 71.779 0.306 2.341 1.00 0.00 O ATOM 1276 CB ASP A 113 69.182 1.672 1.622 1.00 0.00 C ATOM 1277 CG ASP A 113 69.123 1.031 3.010 1.00 0.00 C ATOM 1278 OD1 ASP A 113 70.074 1.195 3.756 1.00 0.00 O ATOM 1279 OD2 ASP A 113 68.130 0.388 3.303 1.00 0.00 O ATOM 0 H ASP A 113 69.312 -0.854 1.694 1.00 0.00 H new ATOM 0 HA ASP A 113 70.152 1.278 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.536 2.700 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.184 1.711 1.185 1.00 0.00 H new ATOM 1284 N PRO A 114 72.460 1.441 0.558 1.00 0.00 N ATOM 1285 CA PRO A 114 73.868 1.459 1.003 1.00 0.00 C ATOM 1286 C PRO A 114 74.021 2.033 2.422 1.00 0.00 C ATOM 1287 O PRO A 114 74.510 1.348 3.295 1.00 0.00 O ATOM 1288 CB PRO A 114 74.552 2.327 -0.055 1.00 0.00 C ATOM 1289 CG PRO A 114 73.491 2.775 -1.081 1.00 0.00 C ATOM 1290 CD PRO A 114 72.151 2.112 -0.728 1.00 0.00 C ATOM 0 HA PRO A 114 74.305 0.463 1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 114 75.019 3.195 0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 114 75.345 1.766 -0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 114 73.390 3.860 -1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.798 2.494 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 114 71.350 2.844 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.835 1.402 -1.492 1.00 0.00 H new ATOM 1298 N PRO A 115 73.610 3.264 2.613 1.00 0.00 N ATOM 1299 CA PRO A 115 73.732 3.914 3.944 1.00 0.00 C ATOM 1300 C PRO A 115 73.049 3.075 5.029 1.00 0.00 C ATOM 1301 O PRO A 115 71.953 3.375 5.459 1.00 0.00 O ATOM 1302 CB PRO A 115 72.995 5.238 3.736 1.00 0.00 C ATOM 1303 CG PRO A 115 72.476 5.294 2.286 1.00 0.00 C ATOM 1304 CD PRO A 115 72.984 4.058 1.534 1.00 0.00 C ATOM 0 HA PRO A 115 74.764 4.036 4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 115 72.165 5.322 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.663 6.077 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 115 71.386 5.321 2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.822 6.204 1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 115 72.172 3.516 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 115 73.700 4.322 0.756 1.00 0.00 H new ATOM 1312 N VAL A 116 73.685 2.027 5.473 1.00 0.00 N ATOM 1313 CA VAL A 116 73.074 1.174 6.526 1.00 0.00 C ATOM 1314 C VAL A 116 73.717 1.464 7.884 1.00 0.00 C ATOM 1315 O VAL A 116 74.869 1.835 7.969 1.00 0.00 O ATOM 1316 CB VAL A 116 73.375 -0.253 6.093 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.024 -0.435 4.613 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.856 -0.548 6.313 1.00 0.00 C ATOM 0 H VAL A 116 74.604 1.725 5.150 1.00 0.00 H new ATOM 0 HA VAL A 116 72.005 1.355 6.636 1.00 0.00 H new ATOM 0 HB VAL A 116 72.775 -0.944 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.242 -1.459 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 116 71.964 -0.230 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.616 0.255 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.073 -1.570 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.456 0.145 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.098 -0.430 7.369 1.00 0.00 H new ATOM 1328 N LYS A 117 72.981 1.298 8.946 1.00 0.00 N ATOM 1329 CA LYS A 117 73.555 1.567 10.295 1.00 0.00 C ATOM 1330 C LYS A 117 74.096 0.279 10.920 1.00 0.00 C ATOM 1331 O LYS A 117 73.574 -0.796 10.703 1.00 0.00 O ATOM 1332 CB LYS A 117 72.390 2.109 11.114 1.00 0.00 C ATOM 1333 CG LYS A 117 72.911 3.160 12.096 1.00 0.00 C ATOM 1334 CD LYS A 117 72.146 3.051 13.415 1.00 0.00 C ATOM 1335 CE LYS A 117 72.971 2.240 14.417 1.00 0.00 C ATOM 1336 NZ LYS A 117 74.241 3.004 14.576 1.00 0.00 N ATOM 0 H LYS A 117 72.009 0.989 8.940 1.00 0.00 H new ATOM 0 HA LYS A 117 74.390 2.266 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.641 2.549 10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.902 1.298 11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.977 3.014 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.790 4.158 11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.944 4.045 13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 117 71.181 2.572 13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 117 72.449 2.139 15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 117 73.160 1.232 14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 74.556 2.951 15.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 74.971 2.596 13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 74.083 3.998 14.316 1.00 0.00 H new ATOM 1350 N THR A 118 75.141 0.385 11.698 1.00 0.00 N ATOM 1351 CA THR A 118 75.722 -0.829 12.342 1.00 0.00 C ATOM 1352 C THR A 118 76.394 -0.456 13.668 1.00 0.00 C ATOM 1353 O THR A 118 75.811 -0.580 14.727 1.00 0.00 O ATOM 1354 CB THR A 118 76.758 -1.348 11.344 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.811 -0.398 11.224 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.093 -1.561 9.982 1.00 0.00 C ATOM 0 H THR A 118 75.617 1.260 11.915 1.00 0.00 H new ATOM 0 HA THR A 118 74.964 -1.578 12.571 1.00 0.00 H new ATOM 0 HB THR A 118 77.165 -2.296 11.695 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.478 -0.728 10.586 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.831 -1.931 9.271 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.287 -2.289 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.686 -0.615 9.624 1.00 0.00 H new ATOM 1364 N LYS A 119 77.616 -0.001 13.617 1.00 0.00 N ATOM 1365 CA LYS A 119 78.323 0.380 14.874 1.00 0.00 C ATOM 1366 C LYS A 119 79.073 1.701 14.676 1.00 0.00 C ATOM 1367 O LYS A 119 80.233 1.826 15.014 1.00 0.00 O ATOM 1368 CB LYS A 119 79.307 -0.761 15.139 1.00 0.00 C ATOM 1369 CG LYS A 119 78.533 -2.031 15.500 1.00 0.00 C ATOM 1370 CD LYS A 119 79.384 -2.899 16.431 1.00 0.00 C ATOM 1371 CE LYS A 119 80.053 -4.013 15.622 1.00 0.00 C ATOM 1372 NZ LYS A 119 80.852 -4.781 16.620 1.00 0.00 N ATOM 0 H LYS A 119 78.156 0.124 12.760 1.00 0.00 H new ATOM 0 HA LYS A 119 77.636 0.525 15.707 1.00 0.00 H new ATOM 0 HB2 LYS A 119 79.923 -0.936 14.257 1.00 0.00 H new ATOM 0 HB3 LYS A 119 79.983 -0.491 15.951 1.00 0.00 H new ATOM 0 HG2 LYS A 119 77.593 -1.771 15.986 1.00 0.00 H new ATOM 0 HG3 LYS A 119 78.282 -2.586 14.596 1.00 0.00 H new ATOM 0 HD2 LYS A 119 80.141 -2.288 16.924 1.00 0.00 H new ATOM 0 HD3 LYS A 119 78.761 -3.329 17.215 1.00 0.00 H new ATOM 0 HE2 LYS A 119 79.313 -4.648 15.135 1.00 0.00 H new ATOM 0 HE3 LYS A 119 80.689 -3.604 14.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 81.342 -5.564 16.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 81.552 -4.152 17.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 80.219 -5.163 17.352 1.00 0.00 H new ATOM 1386 N PHE A 120 78.418 2.688 14.128 1.00 0.00 N ATOM 1387 CA PHE A 120 79.092 4.000 13.906 1.00 0.00 C ATOM 1388 C PHE A 120 78.110 4.998 13.288 1.00 0.00 C ATOM 1389 O PHE A 120 78.169 6.185 13.543 1.00 0.00 O ATOM 1390 CB PHE A 120 80.228 3.698 12.928 1.00 0.00 C ATOM 1391 CG PHE A 120 81.494 4.368 13.405 1.00 0.00 C ATOM 1392 CD1 PHE A 120 81.675 5.742 13.213 1.00 0.00 C ATOM 1393 CD2 PHE A 120 82.489 3.612 14.035 1.00 0.00 C ATOM 1394 CE1 PHE A 120 82.849 6.361 13.652 1.00 0.00 C ATOM 1395 CE2 PHE A 120 83.664 4.231 14.475 1.00 0.00 C ATOM 1396 CZ PHE A 120 83.845 5.606 14.283 1.00 0.00 C ATOM 0 H PHE A 120 77.445 2.643 13.824 1.00 0.00 H new ATOM 0 HA PHE A 120 79.456 4.441 14.834 1.00 0.00 H new ATOM 0 HB2 PHE A 120 80.380 2.621 12.852 1.00 0.00 H new ATOM 0 HB3 PHE A 120 79.968 4.055 11.931 1.00 0.00 H new ATOM 0 HD1 PHE A 120 80.907 6.325 12.725 1.00 0.00 H new ATOM 0 HD2 PHE A 120 82.350 2.551 14.181 1.00 0.00 H new ATOM 0 HE1 PHE A 120 82.988 7.422 13.504 1.00 0.00 H new ATOM 0 HE2 PHE A 120 84.431 3.648 14.963 1.00 0.00 H new ATOM 0 HZ PHE A 120 84.752 6.084 14.621 1.00 0.00 H new ATOM 1406 N GLY A 121 77.211 4.522 12.473 1.00 0.00 N ATOM 1407 CA GLY A 121 76.226 5.434 11.829 1.00 0.00 C ATOM 1408 C GLY A 121 75.803 4.837 10.486 1.00 0.00 C ATOM 1409 O GLY A 121 75.913 3.649 10.267 1.00 0.00 O ATOM 0 H GLY A 121 77.116 3.537 12.224 1.00 0.00 H new ATOM 0 HA2 GLY A 121 75.357 5.566 12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 121 76.666 6.420 11.681 1.00 0.00 H new ATOM 1413 N TYR A 122 75.325 5.648 9.586 1.00 0.00 N ATOM 1414 CA TYR A 122 74.901 5.115 8.261 1.00 0.00 C ATOM 1415 C TYR A 122 76.079 5.135 7.280 1.00 0.00 C ATOM 1416 O TYR A 122 76.773 6.125 7.156 1.00 0.00 O ATOM 1417 CB TYR A 122 73.825 6.077 7.766 1.00 0.00 C ATOM 1418 CG TYR A 122 72.650 6.129 8.711 1.00 0.00 C ATOM 1419 CD1 TYR A 122 72.244 4.988 9.413 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.952 7.332 8.867 1.00 0.00 C ATOM 1421 CE1 TYR A 122 71.140 5.057 10.275 1.00 0.00 C ATOM 1422 CE2 TYR A 122 70.850 7.400 9.722 1.00 0.00 C ATOM 1423 CZ TYR A 122 70.444 6.263 10.429 1.00 0.00 C ATOM 1424 OH TYR A 122 69.355 6.329 11.275 1.00 0.00 O ATOM 0 H TYR A 122 75.209 6.654 9.709 1.00 0.00 H new ATOM 0 HA TYR A 122 74.544 4.088 8.338 1.00 0.00 H new ATOM 0 HB2 TYR A 122 74.250 7.075 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.485 5.766 6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.779 4.058 9.291 1.00 0.00 H new ATOM 0 HD2 TYR A 122 72.267 8.211 8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.826 4.179 10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 122 70.312 8.329 9.837 1.00 0.00 H new ATOM 0 HH TYR A 122 68.989 7.238 11.266 1.00 0.00 H new ATOM 1434 N HIS A 123 76.304 4.062 6.573 1.00 0.00 N ATOM 1435 CA HIS A 123 77.430 4.044 5.594 1.00 0.00 C ATOM 1436 C HIS A 123 76.994 3.376 4.286 1.00 0.00 C ATOM 1437 O HIS A 123 76.187 2.477 4.289 1.00 0.00 O ATOM 1438 CB HIS A 123 78.541 3.239 6.273 1.00 0.00 C ATOM 1439 CG HIS A 123 78.025 1.901 6.724 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.148 0.762 5.946 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.412 1.497 7.885 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.626 -0.264 6.642 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.162 0.130 7.831 1.00 0.00 N ATOM 0 H HIS A 123 75.761 3.201 6.629 1.00 0.00 H new ATOM 0 HA HIS A 123 77.762 5.049 5.334 1.00 0.00 H new ATOM 0 HB2 HIS A 123 79.372 3.100 5.581 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.928 3.793 7.128 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.560 0.710 5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 123 77.162 2.143 8.714 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.587 -1.282 6.283 1.00 0.00 H new ATOM 1451 N ILE A 124 77.532 3.804 3.168 1.00 0.00 N ATOM 1452 CA ILE A 124 77.142 3.180 1.863 1.00 0.00 C ATOM 1453 C ILE A 124 78.066 2.000 1.568 1.00 0.00 C ATOM 1454 O ILE A 124 79.270 2.146 1.506 1.00 0.00 O ATOM 1455 CB ILE A 124 77.334 4.271 0.805 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.375 5.437 1.070 1.00 0.00 C ATOM 1457 CG2 ILE A 124 77.053 3.687 -0.581 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.371 6.384 -0.139 1.00 0.00 C ATOM 0 H ILE A 124 78.220 4.554 3.103 1.00 0.00 H new ATOM 0 HA ILE A 124 76.116 2.811 1.876 1.00 0.00 H new ATOM 0 HB ILE A 124 78.360 4.637 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.369 5.060 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.681 5.976 1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 124 77.189 4.461 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.742 2.865 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 124 76.028 3.318 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.689 7.213 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.377 6.772 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.045 5.841 -1.026 1.00 0.00 H new ATOM 1470 N ILE A 125 77.522 0.828 1.403 1.00 0.00 N ATOM 1471 CA ILE A 125 78.382 -0.353 1.140 1.00 0.00 C ATOM 1472 C ILE A 125 78.383 -0.727 -0.344 1.00 0.00 C ATOM 1473 O ILE A 125 77.369 -1.079 -0.913 1.00 0.00 O ATOM 1474 CB ILE A 125 77.757 -1.469 1.976 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.104 -1.265 3.451 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.294 -2.819 1.512 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.578 -2.450 4.263 1.00 0.00 C ATOM 0 H ILE A 125 76.520 0.639 1.439 1.00 0.00 H new ATOM 0 HA ILE A 125 79.424 -0.164 1.399 1.00 0.00 H new ATOM 0 HB ILE A 125 76.674 -1.446 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.183 -1.176 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.664 -0.336 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.847 -3.613 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.042 -2.969 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.377 -2.840 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.824 -2.308 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.496 -2.518 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.039 -3.370 3.904 1.00 0.00 H new ATOM 1489 N MET A 126 79.533 -0.685 -0.957 1.00 0.00 N ATOM 1490 CA MET A 126 79.641 -1.070 -2.391 1.00 0.00 C ATOM 1491 C MET A 126 80.517 -2.316 -2.491 1.00 0.00 C ATOM 1492 O MET A 126 81.698 -2.272 -2.218 1.00 0.00 O ATOM 1493 CB MET A 126 80.316 0.117 -3.077 1.00 0.00 C ATOM 1494 CG MET A 126 79.251 1.050 -3.650 1.00 0.00 C ATOM 1495 SD MET A 126 80.001 2.106 -4.913 1.00 0.00 S ATOM 1496 CE MET A 126 80.924 3.175 -3.782 1.00 0.00 C ATOM 0 H MET A 126 80.410 -0.398 -0.522 1.00 0.00 H new ATOM 0 HA MET A 126 78.678 -1.294 -2.849 1.00 0.00 H new ATOM 0 HB2 MET A 126 80.940 0.655 -2.364 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.972 -0.235 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 126 78.436 0.469 -4.082 1.00 0.00 H new ATOM 0 HG3 MET A 126 78.821 1.661 -2.856 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.647 3.764 -4.347 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.233 3.844 -3.268 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.449 2.562 -3.049 1.00 0.00 H new ATOM 1506 N VAL A 127 79.953 -3.431 -2.861 1.00 0.00 N ATOM 1507 CA VAL A 127 80.767 -4.678 -2.938 1.00 0.00 C ATOM 1508 C VAL A 127 81.391 -4.826 -4.324 1.00 0.00 C ATOM 1509 O VAL A 127 80.791 -4.495 -5.327 1.00 0.00 O ATOM 1510 CB VAL A 127 79.769 -5.809 -2.676 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.352 -7.135 -3.167 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.483 -5.900 -1.175 1.00 0.00 C ATOM 0 H VAL A 127 78.970 -3.534 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 127 81.590 -4.679 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 127 78.842 -5.603 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.639 -7.938 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 127 80.552 -7.071 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.281 -7.343 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.772 -6.705 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.410 -6.103 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.062 -4.957 -0.827 1.00 0.00 H new ATOM 1522 N GLU A 128 82.596 -5.323 -4.386 1.00 0.00 N ATOM 1523 CA GLU A 128 83.255 -5.489 -5.703 1.00 0.00 C ATOM 1524 C GLU A 128 84.229 -6.673 -5.683 1.00 0.00 C ATOM 1525 O GLU A 128 85.388 -6.549 -5.381 1.00 0.00 O ATOM 1526 CB GLU A 128 84.001 -4.177 -5.949 1.00 0.00 C ATOM 1527 CG GLU A 128 83.543 -3.571 -7.279 1.00 0.00 C ATOM 1528 CD GLU A 128 84.432 -4.093 -8.409 1.00 0.00 C ATOM 1529 OE1 GLU A 128 85.155 -5.047 -8.174 1.00 0.00 O ATOM 1530 OE2 GLU A 128 84.375 -3.528 -9.489 1.00 0.00 O ATOM 0 H GLU A 128 83.148 -5.619 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 128 82.533 -5.700 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 128 83.810 -3.479 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 128 85.076 -4.356 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 128 82.502 -3.832 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 128 83.596 -2.483 -7.233 1.00 0.00 H new ATOM 1537 N GLY A 129 83.763 -7.822 -6.005 1.00 0.00 N ATOM 1538 CA GLY A 129 84.661 -9.007 -6.030 1.00 0.00 C ATOM 1539 C GLY A 129 84.558 -9.768 -4.720 1.00 0.00 C ATOM 1540 O GLY A 129 85.094 -9.363 -3.712 1.00 0.00 O ATOM 0 H GLY A 129 82.792 -8.007 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.392 -9.659 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.691 -8.689 -6.195 1.00 0.00 H new ATOM 1544 N ARG A 130 83.874 -10.871 -4.735 1.00 0.00 N ATOM 1545 CA ARG A 130 83.722 -11.681 -3.497 1.00 0.00 C ATOM 1546 C ARG A 130 84.772 -12.790 -3.448 1.00 0.00 C ATOM 1547 O ARG A 130 84.727 -13.671 -2.612 1.00 0.00 O ATOM 1548 CB ARG A 130 82.339 -12.279 -3.636 1.00 0.00 C ATOM 1549 CG ARG A 130 81.281 -11.194 -3.417 1.00 0.00 C ATOM 1550 CD ARG A 130 80.029 -11.819 -2.798 1.00 0.00 C ATOM 1551 NE ARG A 130 79.391 -12.579 -3.910 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.241 -13.167 -3.722 1.00 0.00 C ATOM 1553 NH1 ARG A 130 77.199 -12.467 -3.367 1.00 0.00 N ATOM 1554 NH2 ARG A 130 78.132 -14.457 -3.890 1.00 0.00 N ATOM 0 H ARG A 130 83.408 -11.252 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 130 83.849 -11.094 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.221 -12.720 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.205 -13.082 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.673 -10.416 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.032 -10.718 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.285 -12.476 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.358 -11.055 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 130 79.853 -12.640 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 130 77.282 -11.459 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 130 76.301 -12.928 -3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 130 78.946 -15.006 -4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 130 77.233 -14.916 -3.743 1.00 0.00 H new ATOM 1568 N LYS A 131 85.708 -12.750 -4.342 1.00 0.00 N ATOM 1569 CA LYS A 131 86.771 -13.797 -4.371 1.00 0.00 C ATOM 1570 C LYS A 131 86.142 -15.179 -4.577 1.00 0.00 C ATOM 1571 O LYS A 131 86.239 -15.994 -3.674 1.00 0.00 O ATOM 1572 CB LYS A 131 87.456 -13.719 -3.005 1.00 0.00 C ATOM 1573 CG LYS A 131 88.905 -13.258 -3.190 1.00 0.00 C ATOM 1574 CD LYS A 131 89.445 -12.714 -1.867 1.00 0.00 C ATOM 1575 CE LYS A 131 90.975 -12.766 -1.881 1.00 0.00 C ATOM 1576 NZ LYS A 131 91.407 -11.470 -1.285 1.00 0.00 N ATOM 1577 OXT LYS A 131 85.575 -15.398 -5.635 1.00 0.00 O ATOM 0 H LYS A 131 85.789 -12.033 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 131 87.478 -13.641 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.922 -13.025 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 131 87.432 -14.693 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 131 89.521 -14.090 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 131 88.956 -12.488 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 131 89.107 -11.689 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 131 89.058 -13.302 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 131 91.347 -13.611 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 131 91.357 -12.882 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 92.446 -11.429 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 91.043 -10.684 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 91.034 -11.391 -0.318 1.00 0.00 H new