USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.85) USER MOD Set 1.2: A 148 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 86 ASN : amide:sc= -3.77! C(o=-2.7!,f=-16!) USER MOD Set 2.2: A 95 THR OG1 : rot -58:sc= 1.05 USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.39) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 30:sc= -1.56 USER MOD Single : A 35 GLN : amide:sc= -0.878 K(o=-0.88,f=-4!) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= -2.12 (180deg=-2.15) USER MOD Single : A 49 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.31) USER MOD Single : A 59 THR OG1 : rot 82:sc= -3.19! USER MOD Single : A 64 THR OG1 : rot 86:sc= -6.31! USER MOD Single : A 65 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.26) USER MOD Single : A 74 GLN : amide:sc= -0.906 K(o=-0.91,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -3.95 (180deg=-5.63!) USER MOD Single : A 98 TYR OH : rot -117:sc= -5.4! USER MOD Single : A 104 LYS NZ :NH3+ 137:sc= 0.782 (180deg=-1.06!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -73:sc= -0.76! USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 116 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-4.4!) USER MOD Single : A 117 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1.2!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -3.31 USER MOD Single : A 129 GLN : amide:sc= -7.34! C(o=-7.3!,f=-10!) USER MOD Single : A 132 GLN : amide:sc= -10! C(o=-10!,f=-7.5!) USER MOD Single : A 134 LYS NZ :NH3+ 161:sc= -0.235 (180deg=-1.24) USER MOD Single : A 136 MET CE :methyl -152:sc= -1.53 (180deg=-4.38!) USER MOD Single : A 137 LYS NZ :NH3+ 178:sc= -5.16! (180deg=-5.38!) USER MOD Single : A 141 GLN : amide:sc= -6.39! K(o=-6.4!,f=-1.7) USER MOD Single : A 145 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.2) USER MOD Single : A 149 SER OG : rot 77:sc= 0.0222 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.833 -7.867 4.556 1.00 0.00 N ATOM 87 CA LEU A 8 6.510 -8.261 3.984 1.00 0.00 C ATOM 88 C LEU A 8 5.809 -7.019 3.432 1.00 0.00 C ATOM 89 O LEU A 8 5.819 -5.969 4.044 1.00 0.00 O ATOM 90 CB LEU A 8 5.631 -8.878 5.076 1.00 0.00 C ATOM 91 CG LEU A 8 6.486 -9.703 6.041 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.361 -8.767 6.870 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.571 -10.485 6.983 1.00 0.00 C ATOM 0 HA LEU A 8 6.669 -8.989 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.111 -8.091 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.867 -9.511 4.624 1.00 0.00 H new ATOM 0 HG LEU A 8 7.113 -10.391 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.971 -9.353 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.010 -8.194 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.728 -8.085 7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.176 -11.074 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.951 -9.789 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.933 -11.150 6.401 1.00 0.00 H new ATOM 105 N ARG A 9 5.185 -7.129 2.293 1.00 0.00 N ATOM 106 CA ARG A 9 4.473 -5.950 1.728 1.00 0.00 C ATOM 107 C ARG A 9 3.050 -5.927 2.292 1.00 0.00 C ATOM 108 O ARG A 9 2.396 -6.947 2.385 1.00 0.00 O ATOM 109 CB ARG A 9 4.425 -6.062 0.202 1.00 0.00 C ATOM 110 CG ARG A 9 4.054 -4.706 -0.399 1.00 0.00 C ATOM 111 CD ARG A 9 3.904 -4.845 -1.915 1.00 0.00 C ATOM 112 NE ARG A 9 5.212 -5.250 -2.504 1.00 0.00 N ATOM 113 CZ ARG A 9 6.103 -4.344 -2.796 1.00 0.00 C ATOM 114 NH1 ARG A 9 5.843 -3.085 -2.578 1.00 0.00 N ATOM 115 NH2 ARG A 9 7.253 -4.697 -3.303 1.00 0.00 N ATOM 0 H ARG A 9 5.137 -7.979 1.732 1.00 0.00 H new ATOM 0 HA ARG A 9 4.995 -5.031 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.393 -6.388 -0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.695 -6.815 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.123 -4.345 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.823 -3.970 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.141 -5.587 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.574 -3.900 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 9 5.410 -6.235 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.945 -2.811 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.538 -2.374 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.455 -5.682 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.949 -3.987 -3.531 1.00 0.00 H new ATOM 129 N ALA A 10 2.562 -4.782 2.684 1.00 0.00 N ATOM 130 CA ALA A 10 1.183 -4.725 3.250 1.00 0.00 C ATOM 131 C ALA A 10 0.485 -3.451 2.791 1.00 0.00 C ATOM 132 O ALA A 10 1.115 -2.477 2.433 1.00 0.00 O ATOM 133 CB ALA A 10 1.256 -4.726 4.776 1.00 0.00 C ATOM 0 H ALA A 10 3.053 -3.889 2.638 1.00 0.00 H new ATOM 0 HA ALA A 10 0.623 -5.594 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.248 -4.684 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.750 -5.636 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.822 -3.858 5.114 1.00 0.00 H new ATOM 139 N CYS A 11 -0.817 -3.450 2.808 1.00 0.00 N ATOM 140 CA CYS A 11 -1.559 -2.235 2.381 1.00 0.00 C ATOM 141 C CYS A 11 -2.875 -2.148 3.152 1.00 0.00 C ATOM 142 O CYS A 11 -3.688 -3.049 3.121 1.00 0.00 O ATOM 143 CB CYS A 11 -1.846 -2.320 0.880 1.00 0.00 C ATOM 144 SG CYS A 11 -0.525 -1.485 -0.035 1.00 0.00 S ATOM 0 H CYS A 11 -1.398 -4.236 3.099 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.961 -1.347 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.914 -3.363 0.570 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.807 -1.857 0.656 1.00 0.00 H new ATOM 0 HG CYS A 11 0.586 -1.566 0.636 1.00 0.00 H new ATOM 150 N GLY A 12 -3.094 -1.059 3.829 1.00 0.00 N ATOM 151 CA GLY A 12 -4.360 -0.888 4.594 1.00 0.00 C ATOM 152 C GLY A 12 -5.017 0.409 4.132 1.00 0.00 C ATOM 153 O GLY A 12 -4.473 1.116 3.306 1.00 0.00 O ATOM 0 H GLY A 12 -2.446 -0.273 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.026 -1.734 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.157 -0.852 5.664 1.00 0.00 H new ATOM 157 N LEU A 13 -6.179 0.732 4.624 1.00 0.00 N ATOM 158 CA LEU A 13 -6.831 1.988 4.156 1.00 0.00 C ATOM 159 C LEU A 13 -7.159 2.919 5.321 1.00 0.00 C ATOM 160 O LEU A 13 -7.982 2.611 6.157 1.00 0.00 O ATOM 161 CB LEU A 13 -8.145 1.646 3.443 1.00 0.00 C ATOM 162 CG LEU A 13 -8.036 1.925 1.943 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.409 1.776 1.288 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.527 3.347 1.711 1.00 0.00 C ATOM 0 H LEU A 13 -6.699 0.193 5.317 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.134 2.489 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.390 0.596 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.959 2.233 3.869 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.338 1.212 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.326 1.976 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.776 0.761 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.105 2.485 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.453 3.537 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.220 4.059 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.544 3.461 2.169 1.00 0.00 H new ATOM 176 N ILE A 14 -6.584 4.094 5.338 1.00 0.00 N ATOM 177 CA ILE A 14 -6.954 5.059 6.400 1.00 0.00 C ATOM 178 C ILE A 14 -8.215 5.741 5.899 1.00 0.00 C ATOM 179 O ILE A 14 -8.194 6.530 4.975 1.00 0.00 O ATOM 180 CB ILE A 14 -5.833 6.072 6.635 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.635 5.347 7.248 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.318 7.162 7.595 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.493 6.337 7.479 1.00 0.00 C ATOM 0 H ILE A 14 -5.885 4.418 4.670 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.118 4.565 7.358 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.545 6.532 5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.923 4.883 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.306 4.546 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.518 7.883 7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.180 7.670 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.602 6.710 8.545 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.642 5.815 7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.198 6.780 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.824 7.123 8.158 1.00 0.00 H new ATOM 195 N ILE A 15 -9.322 5.375 6.458 1.00 0.00 N ATOM 196 CA ILE A 15 -10.620 5.909 5.989 1.00 0.00 C ATOM 197 C ILE A 15 -11.049 7.113 6.815 1.00 0.00 C ATOM 198 O ILE A 15 -10.943 7.120 8.023 1.00 0.00 O ATOM 199 CB ILE A 15 -11.634 4.781 6.133 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.215 3.630 5.217 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.039 5.255 5.770 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.977 2.360 5.594 1.00 0.00 C ATOM 0 H ILE A 15 -9.385 4.716 7.234 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.544 6.245 4.955 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.655 4.449 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.416 3.890 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.142 3.459 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.742 4.429 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.330 6.071 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.050 5.603 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.673 1.545 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.754 2.095 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.048 2.533 5.486 1.00 0.00 H new ATOM 214 N PHE A 16 -11.544 8.130 6.162 1.00 0.00 N ATOM 215 CA PHE A 16 -11.996 9.338 6.894 1.00 0.00 C ATOM 216 C PHE A 16 -13.336 9.805 6.327 1.00 0.00 C ATOM 217 O PHE A 16 -13.453 10.108 5.156 1.00 0.00 O ATOM 218 CB PHE A 16 -10.956 10.443 6.728 1.00 0.00 C ATOM 219 CG PHE A 16 -10.899 10.867 5.283 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.094 10.165 4.379 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.647 11.966 4.846 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.039 10.559 3.037 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.592 12.360 3.504 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.787 11.658 2.601 1.00 0.00 C ATOM 0 H PHE A 16 -11.653 8.172 5.149 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.115 9.104 7.952 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.211 11.295 7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.978 10.088 7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.515 9.319 4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.266 12.510 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.420 10.015 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.171 13.206 3.166 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.743 11.965 1.566 1.00 0.00 H new ATOM 234 N ARG A 17 -14.349 9.884 7.147 1.00 0.00 N ATOM 235 CA ARG A 17 -15.671 10.348 6.643 1.00 0.00 C ATOM 236 C ARG A 17 -15.691 11.878 6.655 1.00 0.00 C ATOM 237 O ARG A 17 -15.650 12.498 7.698 1.00 0.00 O ATOM 238 CB ARG A 17 -16.782 9.809 7.549 1.00 0.00 C ATOM 239 CG ARG A 17 -18.148 10.167 6.960 1.00 0.00 C ATOM 240 CD ARG A 17 -19.249 9.651 7.886 1.00 0.00 C ATOM 241 NE ARG A 17 -19.254 10.448 9.146 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.776 11.643 9.158 1.00 0.00 C ATOM 243 NH1 ARG A 17 -20.276 12.146 8.064 1.00 0.00 N ATOM 244 NH2 ARG A 17 -19.796 12.337 10.264 1.00 0.00 N ATOM 0 H ARG A 17 -14.318 9.648 8.139 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.833 9.984 5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.690 8.727 7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.685 10.231 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.234 11.247 6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.256 9.728 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.218 9.725 7.393 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.085 8.597 8.111 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.850 10.059 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.259 11.605 7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.684 13.081 8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.403 11.944 11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.204 13.272 10.272 1.00 0.00 H new ATOM 258 N ARG A 18 -15.745 12.490 5.505 1.00 0.00 N ATOM 259 CA ARG A 18 -15.757 13.980 5.460 1.00 0.00 C ATOM 260 C ARG A 18 -17.195 14.483 5.324 1.00 0.00 C ATOM 261 O ARG A 18 -18.008 13.890 4.644 1.00 0.00 O ATOM 262 CB ARG A 18 -14.927 14.461 4.268 1.00 0.00 C ATOM 263 CG ARG A 18 -14.786 15.984 4.332 1.00 0.00 C ATOM 264 CD ARG A 18 -13.811 16.457 3.253 1.00 0.00 C ATOM 265 NE ARG A 18 -14.436 16.299 1.910 1.00 0.00 N ATOM 266 CZ ARG A 18 -14.013 17.021 0.908 1.00 0.00 C ATOM 267 NH1 ARG A 18 -13.042 17.877 1.082 1.00 0.00 N ATOM 268 NH2 ARG A 18 -14.558 16.887 -0.270 1.00 0.00 N ATOM 0 H ARG A 18 -15.781 12.026 4.597 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.328 14.372 6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.943 13.992 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.406 14.167 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.758 16.455 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.428 16.285 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.545 17.501 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.887 15.881 3.305 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.192 15.628 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.613 17.982 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.712 18.441 0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.315 16.218 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.227 17.452 -1.052 1.00 0.00 H new ATOM 434 N ILE A 29 -14.159 15.658 10.482 1.00 0.00 N ATOM 435 CA ILE A 29 -13.651 14.398 9.872 1.00 0.00 C ATOM 436 C ILE A 29 -13.517 13.298 10.924 1.00 0.00 C ATOM 437 O ILE A 29 -12.996 13.503 12.001 1.00 0.00 O ATOM 438 CB ILE A 29 -12.295 14.664 9.225 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.495 15.555 7.997 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.665 13.338 8.805 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.295 16.491 7.835 1.00 0.00 C ATOM 0 HA ILE A 29 -14.362 14.062 9.117 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.636 15.164 9.935 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.611 14.940 7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.410 16.137 8.104 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.696 13.526 8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.532 12.705 9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.317 12.836 8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.442 17.123 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.199 17.117 8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.388 15.901 7.708 1.00 0.00 H new ATOM 453 N GLU A 30 -13.975 12.123 10.593 1.00 0.00 N ATOM 454 CA GLU A 30 -13.878 10.971 11.535 1.00 0.00 C ATOM 455 C GLU A 30 -13.195 9.820 10.794 1.00 0.00 C ATOM 456 O GLU A 30 -13.235 9.760 9.584 1.00 0.00 O ATOM 457 CB GLU A 30 -15.282 10.547 11.970 1.00 0.00 C ATOM 458 CG GLU A 30 -16.000 11.737 12.612 1.00 0.00 C ATOM 459 CD GLU A 30 -17.383 11.298 13.094 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.784 10.197 12.752 1.00 0.00 O ATOM 461 OE2 GLU A 30 -18.017 12.069 13.795 1.00 0.00 O ATOM 0 H GLU A 30 -14.418 11.909 9.699 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.306 11.245 12.422 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.848 10.188 11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.221 9.721 12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.416 12.119 13.449 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.095 12.550 11.892 1.00 0.00 H new ATOM 469 N PHE A 31 -12.557 8.917 11.490 1.00 0.00 N ATOM 470 CA PHE A 31 -11.866 7.799 10.778 1.00 0.00 C ATOM 471 C PHE A 31 -12.494 6.454 11.148 1.00 0.00 C ATOM 472 O PHE A 31 -13.053 6.286 12.210 1.00 0.00 O ATOM 473 CB PHE A 31 -10.386 7.777 11.167 1.00 0.00 C ATOM 474 CG PHE A 31 -9.737 9.088 10.797 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.233 9.284 9.504 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.634 10.109 11.748 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.632 10.501 9.165 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.031 11.324 11.408 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.532 11.521 10.116 1.00 0.00 C ATOM 0 H PHE A 31 -12.484 8.903 12.507 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.970 7.960 9.705 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.285 7.601 12.238 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.880 6.955 10.660 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.309 8.496 8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.020 9.959 12.745 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.245 10.653 8.168 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.950 12.111 12.143 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.070 12.461 9.853 1.00 0.00 H new ATOM 489 N LEU A 32 -12.381 5.484 10.275 1.00 0.00 N ATOM 490 CA LEU A 32 -12.945 4.143 10.579 1.00 0.00 C ATOM 491 C LEU A 32 -11.913 3.350 11.373 1.00 0.00 C ATOM 492 O LEU A 32 -10.774 3.220 10.969 1.00 0.00 O ATOM 493 CB LEU A 32 -13.263 3.394 9.282 1.00 0.00 C ATOM 494 CG LEU A 32 -13.669 1.956 9.612 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.853 1.962 10.577 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.067 1.232 8.324 1.00 0.00 C ATOM 0 H LEU A 32 -11.922 5.567 9.368 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.864 4.259 11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.068 3.897 8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.393 3.396 8.625 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.828 1.442 10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.138 0.936 10.809 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.571 2.477 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.695 2.478 10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.357 0.207 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.907 1.750 7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.222 1.222 7.636 1.00 0.00 H new ATOM 508 N LEU A 33 -12.301 2.824 12.494 1.00 0.00 N ATOM 509 CA LEU A 33 -11.339 2.041 13.314 1.00 0.00 C ATOM 510 C LEU A 33 -11.947 0.689 13.669 1.00 0.00 C ATOM 511 O LEU A 33 -13.074 0.599 14.112 1.00 0.00 O ATOM 512 CB LEU A 33 -11.012 2.816 14.588 1.00 0.00 C ATOM 513 CG LEU A 33 -9.844 3.760 14.317 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.784 4.822 15.412 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.539 2.964 14.308 1.00 0.00 C ATOM 0 H LEU A 33 -13.242 2.901 12.880 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.423 1.879 12.746 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.883 3.382 14.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.758 2.126 15.392 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.983 4.243 13.350 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.950 5.497 15.219 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.715 5.389 15.420 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.644 4.340 16.379 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.704 3.637 14.115 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.400 2.482 15.276 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.581 2.205 13.527 1.00 0.00 H new ATOM 527 N LEU A 34 -11.204 -0.364 13.480 1.00 0.00 N ATOM 528 CA LEU A 34 -11.730 -1.714 13.802 1.00 0.00 C ATOM 529 C LEU A 34 -11.098 -2.204 15.110 1.00 0.00 C ATOM 530 O LEU A 34 -9.924 -2.002 15.355 1.00 0.00 O ATOM 531 CB LEU A 34 -11.382 -2.666 12.656 1.00 0.00 C ATOM 532 CG LEU A 34 -11.848 -2.049 11.332 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.609 -3.038 10.188 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.339 -1.733 11.417 1.00 0.00 C ATOM 0 H LEU A 34 -10.252 -0.346 13.115 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.812 -1.679 13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.307 -2.845 12.629 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.863 -3.632 12.810 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.286 -1.134 11.145 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.942 -2.595 9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.546 -3.270 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.169 -3.954 10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.672 -1.294 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.895 -2.651 11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.516 -1.028 12.229 1.00 0.00 H new ATOM 546 N GLN A 35 -11.863 -2.841 15.951 1.00 0.00 N ATOM 547 CA GLN A 35 -11.305 -3.337 17.245 1.00 0.00 C ATOM 548 C GLN A 35 -10.823 -4.778 17.076 1.00 0.00 C ATOM 549 O GLN A 35 -11.578 -5.652 16.708 1.00 0.00 O ATOM 550 CB GLN A 35 -12.398 -3.297 18.313 1.00 0.00 C ATOM 551 CG GLN A 35 -11.798 -3.667 19.670 1.00 0.00 C ATOM 552 CD GLN A 35 -12.892 -3.622 20.736 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.992 -3.171 20.476 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.642 -4.074 21.933 1.00 0.00 N ATOM 0 H GLN A 35 -12.852 -3.041 15.801 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.469 -2.705 17.546 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.841 -2.302 18.358 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.198 -3.991 18.056 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.358 -4.663 19.626 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.996 -2.975 19.927 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.721 -4.452 22.153 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.368 -4.049 22.649 1.00 0.00 H new ATOM 641 N HIS A 42 -6.438 -3.527 20.459 1.00 0.00 N ATOM 642 CA HIS A 42 -5.991 -2.222 19.898 1.00 0.00 C ATOM 643 C HIS A 42 -6.847 -1.881 18.680 1.00 0.00 C ATOM 644 O HIS A 42 -7.412 -2.748 18.042 1.00 0.00 O ATOM 645 CB HIS A 42 -4.521 -2.321 19.480 1.00 0.00 C ATOM 646 CG HIS A 42 -4.315 -3.570 18.668 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.987 -4.789 19.252 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.390 -3.810 17.317 1.00 0.00 C ATOM 649 CE1 HIS A 42 -3.879 -5.697 18.262 1.00 0.00 C ATOM 650 NE2 HIS A 42 -4.115 -5.151 17.068 1.00 0.00 N ATOM 0 HA HIS A 42 -6.099 -1.442 20.652 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.237 -1.444 18.897 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.881 -2.338 20.362 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.626 -3.072 16.565 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.632 -6.737 18.416 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.098 -5.619 16.162 1.00 0.00 H new ATOM 659 N TRP A 43 -6.953 -0.624 18.353 1.00 0.00 N ATOM 660 CA TRP A 43 -7.777 -0.225 17.179 1.00 0.00 C ATOM 661 C TRP A 43 -6.856 0.066 15.991 1.00 0.00 C ATOM 662 O TRP A 43 -5.849 0.730 16.126 1.00 0.00 O ATOM 663 CB TRP A 43 -8.569 1.033 17.530 1.00 0.00 C ATOM 664 CG TRP A 43 -9.422 0.770 18.734 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.975 0.736 20.008 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.855 0.513 18.795 1.00 0.00 C ATOM 667 NE1 TRP A 43 -10.040 0.476 20.850 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.219 0.325 20.151 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.863 0.418 17.817 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.539 0.061 20.521 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -13.192 0.152 18.189 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.528 -0.030 19.539 1.00 0.00 C ATOM 0 H TRP A 43 -6.504 0.146 18.849 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.464 -1.030 16.917 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.888 1.860 17.728 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.193 1.329 16.687 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.952 0.887 20.318 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.963 0.405 21.865 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.614 0.550 16.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.794 -0.072 21.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.959 0.087 17.431 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.550 -0.240 19.818 1.00 0.00 H new ATOM 683 N THR A 44 -7.191 -0.427 14.830 1.00 0.00 N ATOM 684 CA THR A 44 -6.328 -0.176 13.642 1.00 0.00 C ATOM 685 C THR A 44 -7.172 -0.229 12.366 1.00 0.00 C ATOM 686 O THR A 44 -8.196 -0.881 12.318 1.00 0.00 O ATOM 687 CB THR A 44 -5.239 -1.252 13.574 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.778 -2.487 14.018 1.00 0.00 O ATOM 689 CG2 THR A 44 -4.064 -0.859 14.470 1.00 0.00 C ATOM 0 H THR A 44 -8.022 -0.991 14.653 1.00 0.00 H new ATOM 0 HA THR A 44 -5.871 0.810 13.730 1.00 0.00 H new ATOM 0 HB THR A 44 -4.888 -1.349 12.547 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.086 -3.180 13.975 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.293 -1.628 14.417 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.652 0.092 14.133 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.408 -0.761 15.499 1.00 0.00 H new ATOM 697 N PRO A 45 -6.731 0.441 11.333 1.00 0.00 N ATOM 698 CA PRO A 45 -7.444 0.466 10.026 1.00 0.00 C ATOM 699 C PRO A 45 -7.317 -0.873 9.288 1.00 0.00 C ATOM 700 O PRO A 45 -6.389 -1.621 9.506 1.00 0.00 O ATOM 701 CB PRO A 45 -6.740 1.575 9.239 1.00 0.00 C ATOM 702 CG PRO A 45 -5.381 1.696 9.846 1.00 0.00 C ATOM 703 CD PRO A 45 -5.506 1.254 11.306 1.00 0.00 C ATOM 0 HA PRO A 45 -8.513 0.639 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.676 1.324 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.287 2.515 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.663 1.072 9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.020 2.722 9.783 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.638 0.676 11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.581 2.110 11.976 1.00 0.00 H new ATOM 711 N PRO A 46 -8.244 -1.169 8.421 1.00 0.00 N ATOM 712 CA PRO A 46 -8.237 -2.439 7.642 1.00 0.00 C ATOM 713 C PRO A 46 -6.853 -2.766 7.062 1.00 0.00 C ATOM 714 O PRO A 46 -6.495 -2.298 6.000 1.00 0.00 O ATOM 715 CB PRO A 46 -9.221 -2.164 6.506 1.00 0.00 C ATOM 716 CG PRO A 46 -10.160 -1.125 7.023 1.00 0.00 C ATOM 717 CD PRO A 46 -9.408 -0.329 8.092 1.00 0.00 C ATOM 0 HA PRO A 46 -8.500 -3.293 8.266 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.701 -1.812 5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.757 -3.071 6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.491 -0.470 6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.052 -1.588 7.444 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.101 0.647 7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.032 -0.153 8.968 1.00 0.00 H new ATOM 725 N LYS A 47 -6.075 -3.576 7.737 1.00 0.00 N ATOM 726 CA LYS A 47 -4.730 -3.927 7.191 1.00 0.00 C ATOM 727 C LYS A 47 -4.798 -5.295 6.513 1.00 0.00 C ATOM 728 O LYS A 47 -5.456 -6.201 6.985 1.00 0.00 O ATOM 729 CB LYS A 47 -3.687 -3.988 8.314 1.00 0.00 C ATOM 730 CG LYS A 47 -3.544 -2.624 8.985 1.00 0.00 C ATOM 731 CD LYS A 47 -2.268 -2.614 9.829 1.00 0.00 C ATOM 732 CE LYS A 47 -2.294 -1.428 10.796 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.366 -1.938 12.193 1.00 0.00 N ATOM 0 H LYS A 47 -6.310 -4.004 8.632 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.439 -3.160 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.982 -4.734 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.725 -4.303 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.503 -1.837 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.412 -2.421 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.182 -3.547 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.394 -2.548 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.401 -0.817 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.152 -0.789 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.248 -1.147 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.290 -2.388 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.610 -2.636 12.347 1.00 0.00 H new ATOM 747 N GLY A 48 -4.115 -5.459 5.416 1.00 0.00 N ATOM 748 CA GLY A 48 -4.133 -6.773 4.716 1.00 0.00 C ATOM 749 C GLY A 48 -2.772 -7.009 4.061 1.00 0.00 C ATOM 750 O GLY A 48 -1.898 -6.166 4.114 1.00 0.00 O ATOM 0 H GLY A 48 -3.544 -4.739 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.354 -7.573 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.921 -6.787 3.963 1.00 0.00 H new ATOM 754 N HIS A 49 -2.582 -8.141 3.442 1.00 0.00 N ATOM 755 CA HIS A 49 -1.273 -8.418 2.783 1.00 0.00 C ATOM 756 C HIS A 49 -1.476 -8.438 1.267 1.00 0.00 C ATOM 757 O HIS A 49 -2.287 -9.180 0.748 1.00 0.00 O ATOM 758 CB HIS A 49 -0.741 -9.775 3.250 1.00 0.00 C ATOM 759 CG HIS A 49 0.674 -9.956 2.772 1.00 0.00 C ATOM 760 ND1 HIS A 49 0.980 -10.660 1.615 1.00 0.00 N ATOM 761 CD2 HIS A 49 1.878 -9.537 3.283 1.00 0.00 C ATOM 762 CE1 HIS A 49 2.318 -10.645 1.471 1.00 0.00 C ATOM 763 NE2 HIS A 49 2.909 -9.976 2.459 1.00 0.00 N ATOM 0 H HIS A 49 -3.275 -8.886 3.363 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.554 -7.643 3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.778 -9.836 4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.371 -10.576 2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.005 -8.957 4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.846 -11.117 0.656 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.909 -9.818 2.585 1.00 0.00 H new ATOM 772 N VAL A 50 -0.755 -7.618 0.553 1.00 0.00 N ATOM 773 CA VAL A 50 -0.920 -7.578 -0.929 1.00 0.00 C ATOM 774 C VAL A 50 -0.267 -8.806 -1.568 1.00 0.00 C ATOM 775 O VAL A 50 0.824 -9.206 -1.214 1.00 0.00 O ATOM 776 CB VAL A 50 -0.277 -6.299 -1.478 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.617 -5.677 -0.409 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.563 -6.623 -2.717 1.00 0.00 C ATOM 0 H VAL A 50 -0.059 -6.974 0.930 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.983 -7.584 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.064 -5.597 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.074 -4.768 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.019 -5.434 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.398 -6.385 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.015 -5.708 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.347 -7.331 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.075 -7.061 -3.485 1.00 0.00 H new ATOM 788 N GLU A 51 -0.938 -9.396 -2.521 1.00 0.00 N ATOM 789 CA GLU A 51 -0.387 -10.591 -3.219 1.00 0.00 C ATOM 790 C GLU A 51 0.761 -10.140 -4.137 1.00 0.00 C ATOM 791 O GLU A 51 1.146 -8.987 -4.120 1.00 0.00 O ATOM 792 CB GLU A 51 -1.510 -11.235 -4.036 1.00 0.00 C ATOM 793 CG GLU A 51 -1.706 -12.701 -3.624 1.00 0.00 C ATOM 794 CD GLU A 51 -2.789 -12.790 -2.549 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.458 -12.615 -1.387 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.929 -13.033 -2.906 1.00 0.00 O ATOM 0 H GLU A 51 -1.856 -9.096 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.002 -11.319 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.438 -10.683 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.272 -11.179 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.989 -13.298 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.770 -13.112 -3.246 1.00 0.00 H new ATOM 804 N PRO A 52 1.324 -11.029 -4.919 1.00 0.00 N ATOM 805 CA PRO A 52 2.455 -10.683 -5.828 1.00 0.00 C ATOM 806 C PRO A 52 2.005 -9.861 -7.035 1.00 0.00 C ATOM 807 O PRO A 52 2.289 -8.685 -7.136 1.00 0.00 O ATOM 808 CB PRO A 52 2.997 -12.039 -6.276 1.00 0.00 C ATOM 809 CG PRO A 52 1.845 -12.982 -6.161 1.00 0.00 C ATOM 810 CD PRO A 52 0.947 -12.450 -5.042 1.00 0.00 C ATOM 0 HA PRO A 52 3.197 -10.064 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.369 -11.995 -7.300 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.829 -12.357 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.297 -13.039 -7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.192 -13.990 -5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.108 -12.562 -5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.113 -12.988 -4.109 1.00 0.00 H new ATOM 818 N GLY A 53 1.300 -10.466 -7.948 1.00 0.00 N ATOM 819 CA GLY A 53 0.832 -9.706 -9.138 1.00 0.00 C ATOM 820 C GLY A 53 -0.381 -8.865 -8.738 1.00 0.00 C ATOM 821 O GLY A 53 -1.139 -8.411 -9.572 1.00 0.00 O ATOM 0 H GLY A 53 1.029 -11.449 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.629 -9.064 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.568 -10.391 -9.944 1.00 0.00 H new ATOM 825 N GLU A 54 -0.570 -8.661 -7.459 1.00 0.00 N ATOM 826 CA GLU A 54 -1.733 -7.856 -6.989 1.00 0.00 C ATOM 827 C GLU A 54 -1.320 -6.393 -6.857 1.00 0.00 C ATOM 828 O GLU A 54 -0.175 -6.083 -6.592 1.00 0.00 O ATOM 829 CB GLU A 54 -2.196 -8.364 -5.620 1.00 0.00 C ATOM 830 CG GLU A 54 -3.494 -7.662 -5.221 1.00 0.00 C ATOM 831 CD GLU A 54 -3.868 -8.043 -3.785 1.00 0.00 C ATOM 832 OE1 GLU A 54 -3.073 -8.710 -3.146 1.00 0.00 O ATOM 833 OE2 GLU A 54 -4.941 -7.661 -3.351 1.00 0.00 O ATOM 0 H GLU A 54 0.034 -9.019 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.545 -7.950 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.351 -9.442 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.425 -8.177 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.374 -6.582 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.296 -7.945 -5.903 1.00 0.00 H new ATOM 841 N ASP A 55 -2.239 -5.488 -7.035 1.00 0.00 N ATOM 842 CA ASP A 55 -1.893 -4.047 -6.912 1.00 0.00 C ATOM 843 C ASP A 55 -1.725 -3.688 -5.442 1.00 0.00 C ATOM 844 O ASP A 55 -2.188 -4.384 -4.559 1.00 0.00 O ATOM 845 CB ASP A 55 -3.003 -3.182 -7.493 1.00 0.00 C ATOM 846 CG ASP A 55 -2.520 -1.734 -7.581 1.00 0.00 C ATOM 847 OD1 ASP A 55 -2.035 -1.353 -8.634 1.00 0.00 O ATOM 848 OD2 ASP A 55 -2.636 -1.031 -6.590 1.00 0.00 O ATOM 0 H ASP A 55 -3.214 -5.684 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.967 -3.867 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.283 -3.545 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.893 -3.243 -6.867 1.00 0.00 H new ATOM 854 N ASP A 56 -1.069 -2.601 -5.182 1.00 0.00 N ATOM 855 CA ASP A 56 -0.860 -2.172 -3.771 1.00 0.00 C ATOM 856 C ASP A 56 -2.161 -1.583 -3.211 1.00 0.00 C ATOM 857 O ASP A 56 -2.642 -1.991 -2.174 1.00 0.00 O ATOM 858 CB ASP A 56 0.240 -1.113 -3.728 1.00 0.00 C ATOM 859 CG ASP A 56 1.542 -1.719 -4.251 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.633 -2.935 -4.286 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.425 -0.958 -4.612 1.00 0.00 O ATOM 0 H ASP A 56 -0.664 -1.984 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.568 -3.031 -3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.044 -0.252 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.376 -0.754 -2.708 1.00 0.00 H new ATOM 867 N LEU A 57 -2.735 -0.624 -3.894 1.00 0.00 N ATOM 868 CA LEU A 57 -4.002 -0.014 -3.397 1.00 0.00 C ATOM 869 C LEU A 57 -5.134 -1.041 -3.433 1.00 0.00 C ATOM 870 O LEU A 57 -5.908 -1.149 -2.503 1.00 0.00 O ATOM 871 CB LEU A 57 -4.374 1.187 -4.273 1.00 0.00 C ATOM 872 CG LEU A 57 -5.705 1.782 -3.793 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.578 2.232 -2.338 1.00 0.00 C ATOM 874 CD2 LEU A 57 -6.075 2.987 -4.662 1.00 0.00 C ATOM 0 H LEU A 57 -2.381 -0.240 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.854 0.315 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.589 1.941 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.457 0.878 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.482 1.021 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.526 2.653 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.321 1.376 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.797 2.988 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.020 3.407 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.294 3.743 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.175 2.670 -5.700 1.00 0.00 H new ATOM 886 N GLU A 58 -5.246 -1.798 -4.492 1.00 0.00 N ATOM 887 CA GLU A 58 -6.345 -2.806 -4.563 1.00 0.00 C ATOM 888 C GLU A 58 -6.297 -3.675 -3.309 1.00 0.00 C ATOM 889 O GLU A 58 -7.314 -3.995 -2.728 1.00 0.00 O ATOM 890 CB GLU A 58 -6.162 -3.689 -5.797 1.00 0.00 C ATOM 891 CG GLU A 58 -6.591 -2.927 -7.056 1.00 0.00 C ATOM 892 CD GLU A 58 -5.989 -1.518 -7.054 1.00 0.00 C ATOM 893 OE1 GLU A 58 -4.868 -1.367 -6.606 1.00 0.00 O ATOM 894 OE2 GLU A 58 -6.667 -0.609 -7.507 1.00 0.00 O ATOM 0 H GLU A 58 -4.630 -1.763 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.306 -2.295 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.119 -3.994 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.753 -4.599 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.266 -3.468 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.678 -2.865 -7.100 1.00 0.00 H new ATOM 902 N THR A 59 -5.124 -4.037 -2.869 1.00 0.00 N ATOM 903 CA THR A 59 -5.034 -4.859 -1.634 1.00 0.00 C ATOM 904 C THR A 59 -5.684 -4.083 -0.498 1.00 0.00 C ATOM 905 O THR A 59 -6.451 -4.620 0.279 1.00 0.00 O ATOM 906 CB THR A 59 -3.565 -5.134 -1.310 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.993 -5.886 -2.370 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.465 -5.915 0.002 1.00 0.00 C ATOM 0 H THR A 59 -4.233 -3.801 -3.307 1.00 0.00 H new ATOM 0 HA THR A 59 -5.544 -5.812 -1.772 1.00 0.00 H new ATOM 0 HB THR A 59 -3.026 -4.193 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.739 -5.283 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.417 -6.110 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.910 -5.331 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.997 -6.861 -0.096 1.00 0.00 H new ATOM 916 N ALA A 60 -5.409 -2.813 -0.412 1.00 0.00 N ATOM 917 CA ALA A 60 -6.043 -1.997 0.652 1.00 0.00 C ATOM 918 C ALA A 60 -7.546 -1.974 0.387 1.00 0.00 C ATOM 919 O ALA A 60 -8.352 -2.123 1.282 1.00 0.00 O ATOM 920 CB ALA A 60 -5.492 -0.572 0.605 1.00 0.00 C ATOM 0 H ALA A 60 -4.775 -2.308 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.833 -2.420 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.960 0.025 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.413 -0.594 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.709 -0.130 -0.367 1.00 0.00 H new ATOM 926 N LEU A 61 -7.923 -1.808 -0.858 1.00 0.00 N ATOM 927 CA LEU A 61 -9.369 -1.795 -1.217 1.00 0.00 C ATOM 928 C LEU A 61 -9.984 -3.133 -0.823 1.00 0.00 C ATOM 929 O LEU A 61 -10.988 -3.200 -0.142 1.00 0.00 O ATOM 930 CB LEU A 61 -9.501 -1.632 -2.731 1.00 0.00 C ATOM 931 CG LEU A 61 -8.855 -0.322 -3.166 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.919 -0.212 -4.690 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.611 0.851 -2.537 1.00 0.00 C ATOM 0 H LEU A 61 -7.284 -1.680 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.873 -0.977 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.024 -2.470 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.553 -1.642 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.815 -0.299 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.458 0.724 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.385 -1.050 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.960 -0.231 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.150 1.789 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.650 0.832 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.571 0.769 -1.451 1.00 0.00 H new ATOM 945 N ARG A 62 -9.375 -4.198 -1.254 1.00 0.00 N ATOM 946 CA ARG A 62 -9.893 -5.548 -0.921 1.00 0.00 C ATOM 947 C ARG A 62 -9.882 -5.733 0.596 1.00 0.00 C ATOM 948 O ARG A 62 -10.823 -6.230 1.179 1.00 0.00 O ATOM 949 CB ARG A 62 -8.998 -6.597 -1.581 1.00 0.00 C ATOM 950 CG ARG A 62 -9.565 -7.992 -1.329 1.00 0.00 C ATOM 951 CD ARG A 62 -8.657 -9.033 -1.983 1.00 0.00 C ATOM 952 NE ARG A 62 -9.267 -10.383 -1.840 1.00 0.00 N ATOM 953 CZ ARG A 62 -8.861 -11.366 -2.593 1.00 0.00 C ATOM 954 NH1 ARG A 62 -7.914 -11.165 -3.468 1.00 0.00 N ATOM 955 NH2 ARG A 62 -9.401 -12.547 -2.473 1.00 0.00 N ATOM 0 H ARG A 62 -8.532 -4.190 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.914 -5.659 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.932 -6.409 -2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.986 -6.528 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.639 -8.179 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.574 -8.066 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.515 -8.796 -3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.672 -9.016 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.004 -10.539 -1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.494 -10.240 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.594 -11.933 -4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.142 -12.702 -1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.082 -13.316 -3.063 1.00 0.00 H new ATOM 969 N ALA A 63 -8.822 -5.329 1.239 1.00 0.00 N ATOM 970 CA ALA A 63 -8.753 -5.475 2.719 1.00 0.00 C ATOM 971 C ALA A 63 -9.773 -4.542 3.372 1.00 0.00 C ATOM 972 O ALA A 63 -10.360 -4.859 4.388 1.00 0.00 O ATOM 973 CB ALA A 63 -7.349 -5.106 3.201 1.00 0.00 C ATOM 0 H ALA A 63 -8.002 -4.905 0.804 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.975 -6.506 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.297 -5.212 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.619 -5.768 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.130 -4.074 2.927 1.00 0.00 H new ATOM 979 N THR A 64 -9.979 -3.389 2.801 1.00 0.00 N ATOM 980 CA THR A 64 -10.950 -2.427 3.391 1.00 0.00 C ATOM 981 C THR A 64 -12.337 -3.073 3.473 1.00 0.00 C ATOM 982 O THR A 64 -13.017 -2.981 4.474 1.00 0.00 O ATOM 983 CB THR A 64 -11.024 -1.185 2.501 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.719 -0.657 2.325 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.910 -0.128 3.153 1.00 0.00 C ATOM 0 H THR A 64 -9.516 -3.071 1.950 1.00 0.00 H new ATOM 0 HA THR A 64 -10.623 -2.150 4.393 1.00 0.00 H new ATOM 0 HB THR A 64 -11.447 -1.461 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.281 -1.111 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.957 0.753 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.914 -0.530 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.493 0.149 4.121 1.00 0.00 H new ATOM 993 N GLN A 65 -12.760 -3.717 2.421 1.00 0.00 N ATOM 994 CA GLN A 65 -14.102 -4.359 2.434 1.00 0.00 C ATOM 995 C GLN A 65 -14.048 -5.700 3.173 1.00 0.00 C ATOM 996 O GLN A 65 -14.954 -6.048 3.903 1.00 0.00 O ATOM 997 CB GLN A 65 -14.575 -4.561 0.991 1.00 0.00 C ATOM 998 CG GLN A 65 -15.234 -5.934 0.842 1.00 0.00 C ATOM 999 CD GLN A 65 -15.884 -6.039 -0.540 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -15.239 -5.817 -1.544 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.142 -6.373 -0.633 1.00 0.00 N ATOM 0 H GLN A 65 -12.234 -3.826 1.554 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.806 -3.714 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.282 -3.778 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.730 -4.478 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.491 -6.722 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.984 -6.076 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.684 -6.560 0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.583 -6.448 -1.549 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.005 -6.459 2.990 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.918 -7.775 3.685 1.00 0.00 C ATOM 1012 C GLU A 66 -12.903 -7.568 5.203 1.00 0.00 C ATOM 1013 O GLU A 66 -13.473 -8.341 5.945 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.633 -8.489 3.263 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.751 -8.941 1.805 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.854 -9.994 1.685 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.257 -10.522 2.707 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.276 -10.255 0.570 1.00 0.00 O ATOM 0 H GLU A 66 -12.212 -6.228 2.392 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.784 -8.378 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.779 -7.821 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.455 -9.350 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.977 -8.088 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.802 -9.353 1.463 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.251 -6.540 5.670 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.195 -6.300 7.143 1.00 0.00 C ATOM 1028 C GLU A 67 -13.238 -5.262 7.561 1.00 0.00 C ATOM 1029 O GLU A 67 -13.482 -5.064 8.736 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.803 -5.791 7.516 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.770 -6.893 7.276 1.00 0.00 C ATOM 1032 CD GLU A 67 -10.056 -8.067 8.212 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -9.544 -9.143 7.953 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -10.781 -7.868 9.175 1.00 0.00 O ATOM 0 H GLU A 67 -11.755 -5.856 5.099 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.406 -7.237 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.555 -4.911 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.786 -5.484 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.808 -7.223 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.765 -6.510 7.452 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.848 -4.582 6.626 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.858 -3.551 7.010 1.00 0.00 C ATOM 1044 C ALA A 68 -16.095 -3.662 6.119 1.00 0.00 C ATOM 1045 O ALA A 68 -17.170 -3.234 6.482 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.252 -2.155 6.847 1.00 0.00 C ATOM 0 H ALA A 68 -13.694 -4.693 5.624 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.146 -3.715 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.990 -1.403 7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.376 -2.061 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.958 -2.005 5.808 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.961 -4.222 4.953 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.144 -4.340 4.055 1.00 0.00 C ATOM 1054 C GLY A 69 -17.209 -3.114 3.151 1.00 0.00 C ATOM 1055 O GLY A 69 -18.047 -3.016 2.277 1.00 0.00 O ATOM 0 H GLY A 69 -15.090 -4.602 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.071 -5.247 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.057 -4.421 4.645 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.326 -2.175 3.355 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.332 -0.957 2.507 1.00 0.00 C ATOM 1061 C ILE A 70 -15.223 -1.080 1.461 1.00 0.00 C ATOM 1062 O ILE A 70 -14.072 -1.288 1.783 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.075 0.276 3.370 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.889 0.204 4.667 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.512 1.510 2.587 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.263 1.123 5.721 1.00 0.00 C ATOM 0 H ILE A 70 -15.602 -2.202 4.073 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.301 -0.856 2.018 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.015 0.325 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.920 0.502 4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.916 -0.822 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.336 2.403 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.939 1.576 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.574 1.434 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.844 1.069 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.239 0.805 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.260 2.149 5.353 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.566 -0.957 0.209 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.544 -1.069 -0.870 1.00 0.00 C ATOM 1080 C GLU A 71 -14.444 0.255 -1.629 1.00 0.00 C ATOM 1081 O GLU A 71 -15.258 1.142 -1.461 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.940 -2.200 -1.824 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.210 -2.052 -3.160 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.584 -3.218 -4.075 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -14.073 -3.264 -5.181 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -15.374 -4.045 -3.652 1.00 0.00 O ATOM 0 H GLU A 71 -16.517 -0.782 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.571 -1.293 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.699 -3.164 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.018 -2.186 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.478 -1.106 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.132 -2.034 -2.998 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.449 0.397 -2.463 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.298 1.668 -3.230 1.00 0.00 C ATOM 1096 C ALA A 72 -14.652 2.069 -3.810 1.00 0.00 C ATOM 1097 O ALA A 72 -14.986 3.235 -3.886 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.285 1.476 -4.356 1.00 0.00 C ATOM 0 H ALA A 72 -12.736 -0.309 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.941 2.455 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.179 2.407 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.321 1.194 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.631 0.690 -5.027 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.448 1.114 -4.197 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.787 1.445 -4.742 1.00 0.00 C ATOM 1106 C GLY A 73 -17.606 2.127 -3.646 1.00 0.00 C ATOM 1107 O GLY A 73 -18.537 2.859 -3.916 1.00 0.00 O ATOM 0 H GLY A 73 -15.227 0.119 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.691 2.102 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.291 0.540 -5.083 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.273 1.881 -2.404 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.044 2.508 -1.295 1.00 0.00 C ATOM 1113 C GLN A 74 -17.276 3.686 -0.687 1.00 0.00 C ATOM 1114 O GLN A 74 -17.822 4.428 0.103 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.329 1.468 -0.211 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.256 0.388 -0.766 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.654 -0.563 0.365 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -19.417 -0.281 1.522 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.258 -1.684 0.079 1.00 0.00 N ATOM 0 H GLN A 74 -16.505 1.276 -2.114 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.983 2.883 -1.702 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.396 1.020 0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.789 1.946 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.144 0.844 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.756 -0.164 -1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -20.458 -1.922 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.530 -2.322 0.827 1.00 0.00 H new ATOM 1128 N LEU A 75 -16.032 3.890 -1.045 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.299 5.064 -0.470 1.00 0.00 C ATOM 1130 C LEU A 75 -14.641 5.860 -1.588 1.00 0.00 C ATOM 1131 O LEU A 75 -14.800 5.575 -2.758 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.201 4.660 0.541 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.992 3.142 0.594 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.724 2.775 -0.171 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.811 2.701 2.045 1.00 0.00 C ATOM 0 H LEU A 75 -15.501 3.310 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.044 5.659 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.263 5.145 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.472 5.023 1.533 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.859 2.651 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.576 1.696 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.821 3.092 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.868 3.275 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.663 1.622 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.942 3.201 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.699 2.965 2.619 1.00 0.00 H new ATOM 1147 N THR A 76 -13.894 6.857 -1.219 1.00 0.00 N ATOM 1148 CA THR A 76 -13.195 7.692 -2.226 1.00 0.00 C ATOM 1149 C THR A 76 -11.734 7.821 -1.806 1.00 0.00 C ATOM 1150 O THR A 76 -11.415 8.492 -0.847 1.00 0.00 O ATOM 1151 CB THR A 76 -13.848 9.077 -2.279 1.00 0.00 C ATOM 1152 OG1 THR A 76 -15.129 8.968 -2.881 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.975 10.034 -3.090 1.00 0.00 C ATOM 0 H THR A 76 -13.736 7.132 -0.250 1.00 0.00 H new ATOM 0 HA THR A 76 -13.260 7.235 -3.213 1.00 0.00 H new ATOM 0 HB THR A 76 -13.953 9.467 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.551 9.852 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.446 11.016 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.994 10.117 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.861 9.652 -4.104 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.846 7.176 -2.506 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.412 7.260 -2.128 1.00 0.00 C ATOM 1163 C ILE A 77 -8.883 8.638 -2.519 1.00 0.00 C ATOM 1164 O ILE A 77 -9.044 9.078 -3.639 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.620 6.179 -2.864 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.392 4.850 -2.830 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.256 6.000 -2.193 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.438 4.295 -1.404 1.00 0.00 C ATOM 0 H ILE A 77 -11.051 6.597 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.303 7.110 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.478 6.481 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.406 5.002 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.915 4.128 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.691 5.229 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.707 6.941 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.398 5.702 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.988 3.354 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.422 4.124 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.936 5.011 -0.751 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.263 9.328 -1.604 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.737 10.681 -1.931 1.00 0.00 C ATOM 1182 C ILE A 78 -6.348 10.554 -2.548 1.00 0.00 C ATOM 1183 O ILE A 78 -5.563 9.700 -2.181 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.678 11.529 -0.663 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.724 12.644 -0.752 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.284 12.147 -0.510 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -10.104 12.035 -1.021 1.00 0.00 C ATOM 0 H ILE A 78 -8.098 9.015 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.399 11.166 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.884 10.898 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.742 13.214 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.461 13.340 -1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.251 12.750 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.539 11.354 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.069 12.777 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.847 12.830 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.082 11.484 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.367 11.357 -0.209 1.00 0.00 H new ATOM 1199 N GLU A 79 -6.053 11.393 -3.497 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.729 11.335 -4.180 1.00 0.00 C ATOM 1201 C GLU A 79 -3.832 12.480 -3.702 1.00 0.00 C ATOM 1202 O GLU A 79 -4.302 13.525 -3.299 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.949 11.451 -5.683 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.849 10.304 -6.144 1.00 0.00 C ATOM 1205 CD GLU A 79 -6.064 10.397 -7.653 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -6.566 9.442 -8.219 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -5.726 11.426 -8.217 1.00 0.00 O ATOM 0 H GLU A 79 -6.678 12.125 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.240 10.390 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.408 12.410 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.994 11.414 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.394 9.347 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.807 10.349 -5.626 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.542 12.286 -3.742 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.608 13.356 -3.294 1.00 0.00 C ATOM 1217 C GLY A 80 -0.998 12.957 -1.956 1.00 0.00 C ATOM 1218 O GLY A 80 0.092 13.369 -1.612 1.00 0.00 O ATOM 0 H GLY A 80 -2.094 11.429 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.823 13.505 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.139 14.303 -3.198 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.684 12.146 -1.199 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.132 11.715 0.112 1.00 0.00 C ATOM 1224 C PHE A 81 -0.743 10.240 0.050 1.00 0.00 C ATOM 1225 O PHE A 81 -1.550 9.391 -0.279 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.189 11.895 1.197 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.681 11.284 2.479 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.929 9.934 2.758 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -0.959 12.065 3.385 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.452 9.367 3.945 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.484 11.499 4.571 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.732 10.150 4.854 1.00 0.00 C ATOM 0 H PHE A 81 -2.601 11.765 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.255 12.320 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.403 12.954 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.123 11.419 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.488 9.331 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.768 13.106 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.640 8.325 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.075 12.103 5.270 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.368 9.715 5.773 1.00 0.00 H new ATOM 1242 N LYS A 82 0.475 9.919 0.382 1.00 0.00 N ATOM 1243 CA LYS A 82 0.885 8.491 0.361 1.00 0.00 C ATOM 1244 C LYS A 82 2.087 8.283 1.276 1.00 0.00 C ATOM 1245 O LYS A 82 3.050 9.023 1.241 1.00 0.00 O ATOM 1246 CB LYS A 82 1.272 8.060 -1.047 1.00 0.00 C ATOM 1247 CG LYS A 82 1.118 6.539 -1.149 1.00 0.00 C ATOM 1248 CD LYS A 82 1.649 6.054 -2.497 1.00 0.00 C ATOM 1249 CE LYS A 82 3.175 5.968 -2.445 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.751 6.719 -3.593 1.00 0.00 N ATOM 0 H LYS A 82 1.199 10.579 0.665 1.00 0.00 H new ATOM 0 HA LYS A 82 0.040 7.894 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.638 8.555 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.300 8.352 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.661 6.054 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.069 6.262 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.227 5.078 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.340 6.737 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.542 6.381 -1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.493 4.926 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.789 6.662 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.410 6.306 -4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.457 7.715 -3.539 1.00 0.00 H new ATOM 1264 N ARG A 83 2.039 7.264 2.076 1.00 0.00 N ATOM 1265 CA ARG A 83 3.174 6.959 2.986 1.00 0.00 C ATOM 1266 C ARG A 83 3.005 5.535 3.488 1.00 0.00 C ATOM 1267 O ARG A 83 1.947 4.950 3.363 1.00 0.00 O ATOM 1268 CB ARG A 83 3.189 7.923 4.174 1.00 0.00 C ATOM 1269 CG ARG A 83 2.039 7.588 5.124 1.00 0.00 C ATOM 1270 CD ARG A 83 2.023 8.597 6.269 1.00 0.00 C ATOM 1271 NE ARG A 83 3.258 8.441 7.090 1.00 0.00 N ATOM 1272 CZ ARG A 83 4.312 9.168 6.840 1.00 0.00 C ATOM 1273 NH1 ARG A 83 4.298 10.035 5.862 1.00 0.00 N ATOM 1274 NH2 ARG A 83 5.386 9.028 7.568 1.00 0.00 N ATOM 0 H ARG A 83 1.252 6.619 2.141 1.00 0.00 H new ATOM 0 HA ARG A 83 4.115 7.070 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.141 7.852 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.095 8.950 3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.090 7.613 4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.158 6.578 5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.963 9.611 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.140 8.444 6.889 1.00 0.00 H new ATOM 0 HE ARG A 83 3.279 7.762 7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.460 10.145 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.125 10.601 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.400 8.351 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.211 9.595 7.374 1.00 0.00 H new ATOM 1288 N GLU A 84 4.024 4.961 4.051 1.00 0.00 N ATOM 1289 CA GLU A 84 3.880 3.572 4.548 1.00 0.00 C ATOM 1290 C GLU A 84 4.512 3.433 5.927 1.00 0.00 C ATOM 1291 O GLU A 84 5.548 4.004 6.210 1.00 0.00 O ATOM 1292 CB GLU A 84 4.546 2.614 3.567 1.00 0.00 C ATOM 1293 CG GLU A 84 6.063 2.679 3.734 1.00 0.00 C ATOM 1294 CD GLU A 84 6.507 4.142 3.791 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.149 4.885 2.893 1.00 0.00 O ATOM 1296 OE2 GLU A 84 7.201 4.493 4.731 1.00 0.00 O ATOM 0 H GLU A 84 4.941 5.387 4.188 1.00 0.00 H new ATOM 0 HA GLU A 84 2.821 3.329 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.194 1.597 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.271 2.875 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.362 2.161 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.553 2.171 2.903 1.00 0.00 H new ATOM 1304 N LEU A 85 3.912 2.662 6.789 1.00 0.00 N ATOM 1305 CA LEU A 85 4.503 2.483 8.135 1.00 0.00 C ATOM 1306 C LEU A 85 5.409 1.254 8.089 1.00 0.00 C ATOM 1307 O LEU A 85 5.006 0.190 7.666 1.00 0.00 O ATOM 1308 CB LEU A 85 3.396 2.282 9.174 1.00 0.00 C ATOM 1309 CG LEU A 85 2.328 3.368 9.005 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.481 3.465 10.273 1.00 0.00 C ATOM 1311 CD2 LEU A 85 2.988 4.721 8.737 1.00 0.00 C ATOM 0 H LEU A 85 3.045 2.153 6.618 1.00 0.00 H new ATOM 0 HA LEU A 85 5.076 3.366 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.948 1.296 9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.815 2.323 10.179 1.00 0.00 H new ATOM 0 HG LEU A 85 1.693 3.103 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.724 4.239 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.994 2.508 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.120 3.718 11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.219 5.484 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.634 4.983 9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.583 4.661 7.826 1.00 0.00 H new ATOM 1323 N ASN A 86 6.638 1.395 8.503 1.00 0.00 N ATOM 1324 CA ASN A 86 7.569 0.236 8.458 1.00 0.00 C ATOM 1325 C ASN A 86 8.095 -0.066 9.860 1.00 0.00 C ATOM 1326 O ASN A 86 8.630 0.794 10.534 1.00 0.00 O ATOM 1327 CB ASN A 86 8.751 0.572 7.542 1.00 0.00 C ATOM 1328 CG ASN A 86 8.239 0.950 6.151 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.342 0.325 5.631 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.777 1.958 5.523 1.00 0.00 N ATOM 0 H ASN A 86 7.036 2.260 8.869 1.00 0.00 H new ATOM 0 HA ASN A 86 7.036 -0.635 8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.327 1.396 7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.423 -0.283 7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.442 2.219 4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.533 2.486 5.959 1.00 0.00 H new ATOM 1337 N TYR A 87 7.962 -1.284 10.298 1.00 0.00 N ATOM 1338 CA TYR A 87 8.466 -1.655 11.642 1.00 0.00 C ATOM 1339 C TYR A 87 8.482 -3.166 11.762 1.00 0.00 C ATOM 1340 O TYR A 87 7.686 -3.857 11.156 1.00 0.00 O ATOM 1341 CB TYR A 87 7.555 -1.079 12.720 1.00 0.00 C ATOM 1342 CG TYR A 87 6.121 -1.432 12.406 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.599 -2.675 12.793 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.314 -0.521 11.713 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.269 -2.999 12.494 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.986 -0.847 11.415 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.464 -2.086 11.805 1.00 0.00 C ATOM 1348 OH TYR A 87 2.156 -2.406 11.509 1.00 0.00 O ATOM 0 H TYR A 87 7.522 -2.043 9.777 1.00 0.00 H new ATOM 0 HA TYR A 87 9.472 -1.255 11.772 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.833 -1.475 13.697 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.672 0.004 12.770 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.222 -3.382 13.321 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.717 0.434 11.408 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.865 -3.954 12.796 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.363 -0.142 10.884 1.00 0.00 H new ATOM 0 HH TYR A 87 1.738 -1.661 11.029 1.00 0.00 H new ATOM 1444 N PRO A 93 9.950 -7.194 9.577 1.00 0.00 N ATOM 1445 CA PRO A 93 9.564 -5.804 9.191 1.00 0.00 C ATOM 1446 C PRO A 93 8.340 -5.812 8.303 1.00 0.00 C ATOM 1447 O PRO A 93 8.212 -6.657 7.453 1.00 0.00 O ATOM 1448 CB PRO A 93 10.767 -5.317 8.400 1.00 0.00 C ATOM 1449 CG PRO A 93 11.294 -6.554 7.766 1.00 0.00 C ATOM 1450 CD PRO A 93 11.089 -7.664 8.788 1.00 0.00 C ATOM 0 HA PRO A 93 9.320 -5.180 10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.482 -4.575 7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.510 -4.851 9.047 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.765 -6.774 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.349 -6.445 7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.878 -8.619 8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.974 -7.808 9.407 1.00 0.00 H new ATOM 1458 N LYS A 94 7.444 -4.892 8.470 1.00 0.00 N ATOM 1459 CA LYS A 94 6.240 -4.902 7.598 1.00 0.00 C ATOM 1460 C LYS A 94 5.976 -3.510 7.043 1.00 0.00 C ATOM 1461 O LYS A 94 5.751 -2.567 7.775 1.00 0.00 O ATOM 1462 CB LYS A 94 5.028 -5.371 8.403 1.00 0.00 C ATOM 1463 CG LYS A 94 4.405 -6.581 7.710 1.00 0.00 C ATOM 1464 CD LYS A 94 3.103 -6.965 8.411 1.00 0.00 C ATOM 1465 CE LYS A 94 1.934 -6.267 7.721 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.046 -4.793 7.920 1.00 0.00 N ATOM 0 H LYS A 94 7.487 -4.142 9.160 1.00 0.00 H new ATOM 0 HA LYS A 94 6.414 -5.585 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.329 -5.632 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.297 -4.567 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.211 -6.351 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.100 -7.420 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.965 -8.046 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.144 -6.678 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.934 -6.502 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.990 -6.629 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.115 -4.352 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.379 -4.597 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.722 -4.401 7.234 1.00 0.00 H new ATOM 1480 N THR A 95 5.979 -3.375 5.747 1.00 0.00 N ATOM 1481 CA THR A 95 5.704 -2.046 5.158 1.00 0.00 C ATOM 1482 C THR A 95 4.206 -1.926 4.928 1.00 0.00 C ATOM 1483 O THR A 95 3.597 -2.746 4.272 1.00 0.00 O ATOM 1484 CB THR A 95 6.442 -1.891 3.827 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.841 -1.824 4.072 1.00 0.00 O ATOM 1486 CG2 THR A 95 5.972 -0.611 3.133 1.00 0.00 C ATOM 0 H THR A 95 6.159 -4.124 5.078 1.00 0.00 H new ATOM 0 HA THR A 95 6.049 -1.265 5.836 1.00 0.00 H new ATOM 0 HB THR A 95 6.230 -2.745 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.033 -1.070 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.496 -0.498 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.899 -0.669 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.185 0.248 3.770 1.00 0.00 H new ATOM 1494 N VAL A 96 3.610 -0.910 5.467 1.00 0.00 N ATOM 1495 CA VAL A 96 2.151 -0.731 5.288 1.00 0.00 C ATOM 1496 C VAL A 96 1.917 0.574 4.542 1.00 0.00 C ATOM 1497 O VAL A 96 2.285 1.629 5.005 1.00 0.00 O ATOM 1498 CB VAL A 96 1.488 -0.668 6.668 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.029 -0.555 6.512 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.820 -1.942 7.452 1.00 0.00 C ATOM 0 H VAL A 96 4.071 -0.192 6.026 1.00 0.00 H new ATOM 0 HA VAL A 96 1.726 -1.560 4.722 1.00 0.00 H new ATOM 0 HB VAL A 96 1.862 0.204 7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.494 -0.511 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.271 0.350 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.405 -1.424 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.349 -1.898 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.447 -2.811 6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.900 -2.025 7.571 1.00 0.00 H new ATOM 1510 N ILE A 97 1.303 0.512 3.395 1.00 0.00 N ATOM 1511 CA ILE A 97 1.050 1.759 2.623 1.00 0.00 C ATOM 1512 C ILE A 97 -0.371 2.222 2.928 1.00 0.00 C ATOM 1513 O ILE A 97 -1.314 1.462 2.831 1.00 0.00 O ATOM 1514 CB ILE A 97 1.214 1.474 1.127 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.575 0.801 0.886 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.129 2.781 0.334 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.634 1.837 0.498 1.00 0.00 C ATOM 0 H ILE A 97 0.966 -0.346 2.959 1.00 0.00 H new ATOM 0 HA ILE A 97 1.759 2.539 2.902 1.00 0.00 H new ATOM 0 HB ILE A 97 0.417 0.810 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.889 0.273 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.482 0.056 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.247 2.570 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.160 3.249 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.920 3.456 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.588 1.337 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.328 2.346 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.741 2.566 1.301 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.533 3.453 3.336 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.897 3.932 3.689 1.00 0.00 C ATOM 1531 C TYR A 98 -2.365 5.049 2.757 1.00 0.00 C ATOM 1532 O TYR A 98 -1.690 6.038 2.552 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.886 4.471 5.117 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.957 3.330 6.101 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.079 2.492 6.125 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.903 3.112 6.993 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.144 1.439 7.042 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.969 2.058 7.910 1.00 0.00 C ATOM 1539 CZ TYR A 98 -2.088 1.222 7.935 1.00 0.00 C ATOM 1540 OH TYR A 98 -2.154 0.183 8.836 1.00 0.00 O ATOM 0 H TYR A 98 0.214 4.140 3.439 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.580 3.089 3.591 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.980 5.053 5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.730 5.144 5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.893 2.659 5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.037 3.758 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -4.009 0.793 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.154 1.890 8.599 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.153 0.541 9.748 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.550 4.905 2.241 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.137 5.953 1.367 1.00 0.00 C ATOM 1552 C TRP A 99 -5.339 6.533 2.108 1.00 0.00 C ATOM 1553 O TRP A 99 -6.069 5.815 2.760 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.613 5.332 0.052 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.467 5.155 -0.887 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.981 6.113 -1.709 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.667 3.965 -1.124 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.932 5.584 -2.440 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.700 4.262 -2.115 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.687 2.668 -0.585 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.785 3.304 -2.550 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.768 1.704 -1.022 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.820 2.019 -2.004 1.00 0.00 C ATOM 0 H TRP A 99 -4.147 4.091 2.391 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.398 6.722 1.142 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.083 4.368 0.247 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.370 5.969 -0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.351 7.125 -1.783 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.396 6.106 -3.133 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.415 2.412 0.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.054 3.554 -3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.791 0.711 -0.598 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.118 1.270 -2.338 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.568 7.810 2.026 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.742 8.370 2.745 1.00 0.00 C ATOM 1576 C LEU A 100 -8.002 8.005 1.958 1.00 0.00 C ATOM 1577 O LEU A 100 -8.014 8.047 0.744 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.613 9.891 2.843 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.137 10.277 2.937 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -5.019 11.768 3.246 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.464 9.468 4.047 1.00 0.00 C ATOM 0 H LEU A 100 -5.005 8.481 1.503 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.797 7.961 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.067 10.361 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.151 10.256 3.718 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.646 10.064 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.967 12.043 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.495 12.343 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.512 11.983 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.412 9.745 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.954 9.677 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.546 8.404 3.823 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.055 7.634 2.629 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.296 7.255 1.897 1.00 0.00 C ATOM 1595 C ALA A 101 -11.518 7.814 2.618 1.00 0.00 C ATOM 1596 O ALA A 101 -11.484 8.086 3.801 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.398 5.732 1.826 1.00 0.00 C ATOM 0 H ALA A 101 -9.111 7.577 3.646 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.257 7.668 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.306 5.453 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.530 5.333 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.431 5.322 2.835 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.597 7.985 1.909 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.833 8.527 2.535 1.00 0.00 C ATOM 1605 C GLU A 102 -15.019 7.632 2.172 1.00 0.00 C ATOM 1606 O GLU A 102 -15.334 7.455 1.014 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.076 9.941 1.995 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.316 10.543 2.652 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.634 11.892 2.004 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.897 12.290 1.116 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.610 12.502 2.404 1.00 0.00 O ATOM 0 H GLU A 102 -12.676 7.771 0.915 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.722 8.556 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.208 10.569 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.206 9.909 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.163 9.866 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.148 10.672 3.721 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.690 7.073 3.146 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.857 6.203 2.829 1.00 0.00 C ATOM 1621 C VAL A 103 -18.051 7.084 2.468 1.00 0.00 C ATOM 1622 O VAL A 103 -18.353 8.055 3.134 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.181 5.302 4.020 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.903 4.632 4.493 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.758 6.131 5.160 1.00 0.00 C ATOM 0 H VAL A 103 -15.481 7.181 4.139 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.621 5.561 1.980 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.911 4.552 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.124 3.987 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.484 4.035 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.183 5.393 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.986 5.480 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.031 6.883 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.671 6.624 4.826 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.696 6.769 1.383 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.847 7.586 0.900 1.00 0.00 C ATOM 1637 C LYS A 104 -20.971 7.660 1.938 1.00 0.00 C ATOM 1638 O LYS A 104 -21.578 8.696 2.126 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.399 6.918 -0.355 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.282 6.771 -1.388 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.792 5.930 -2.556 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.634 5.611 -3.508 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.176 5.058 -4.779 1.00 0.00 N ATOM 0 H LYS A 104 -18.472 5.965 0.797 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.496 8.600 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.811 5.940 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.214 7.512 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.964 7.752 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.411 6.298 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.235 5.006 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.576 6.468 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -18.055 6.512 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.956 4.893 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.673 5.483 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.044 4.027 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.190 5.278 -4.849 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.289 6.571 2.579 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.417 6.598 3.557 1.00 0.00 C ATOM 1659 C ASP A 105 -21.922 6.610 4.999 1.00 0.00 C ATOM 1660 O ASP A 105 -21.018 5.889 5.370 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.290 5.365 3.354 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.764 5.770 3.377 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.549 5.114 2.713 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.080 6.730 4.061 1.00 0.00 O ATOM 0 H ASP A 105 -20.823 5.670 2.472 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.983 7.512 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -23.048 4.888 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.091 4.633 4.137 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.551 7.400 5.823 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.174 7.439 7.261 1.00 0.00 C ATOM 1672 C TYR A 106 -22.547 6.097 7.880 1.00 0.00 C ATOM 1673 O TYR A 106 -21.799 5.511 8.636 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.944 8.558 7.962 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.914 8.328 9.453 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.712 8.444 10.157 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -24.097 8.002 10.131 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.688 8.234 11.541 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -24.072 7.792 11.517 1.00 0.00 C ATOM 1680 CZ TYR A 106 -22.868 7.907 12.221 1.00 0.00 C ATOM 1681 OH TYR A 106 -22.844 7.702 13.585 1.00 0.00 O ATOM 0 H TYR A 106 -23.314 8.023 5.560 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.106 7.625 7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.501 9.525 7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.974 8.583 7.607 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.802 8.696 9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.026 7.913 9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.759 8.324 12.085 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -24.982 7.541 12.042 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.747 7.485 13.899 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.703 5.600 7.534 1.00 0.00 N ATOM 1692 CA ASP A 107 -24.143 4.287 8.063 1.00 0.00 C ATOM 1693 C ASP A 107 -23.617 3.199 7.131 1.00 0.00 C ATOM 1694 O ASP A 107 -24.039 2.060 7.179 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.673 4.236 8.115 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.246 4.296 6.697 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -27.447 4.474 6.575 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -25.476 4.167 5.761 1.00 0.00 O ATOM 0 H ASP A 107 -24.363 6.054 6.903 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.757 4.136 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.998 3.321 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -26.053 5.070 8.706 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.686 3.551 6.282 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.112 2.551 5.349 1.00 0.00 C ATOM 1706 C VAL A 108 -21.931 1.238 6.112 1.00 0.00 C ATOM 1707 O VAL A 108 -21.637 1.231 7.290 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.772 3.078 4.836 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.881 3.440 6.022 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.079 2.017 3.985 1.00 0.00 C ATOM 0 H VAL A 108 -22.301 4.492 6.199 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.767 2.378 4.495 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.949 3.963 4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.925 3.816 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.368 4.209 6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.713 2.554 6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.126 2.404 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.904 1.125 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.711 1.763 3.134 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.136 0.131 5.459 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.014 -1.176 6.155 1.00 0.00 C ATOM 1722 C GLU A 109 -20.601 -1.370 6.689 1.00 0.00 C ATOM 1723 O GLU A 109 -19.623 -0.990 6.078 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.373 -2.316 5.197 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.118 -3.101 4.812 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.432 -4.008 3.620 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -22.567 -3.993 3.174 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -20.533 -4.701 3.176 1.00 0.00 O ATOM 0 H GLU A 109 -22.383 0.075 4.471 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.706 -1.185 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.096 -2.982 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -22.847 -1.913 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.310 -2.415 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -20.775 -3.698 5.657 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.512 -1.985 7.824 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.190 -2.259 8.448 1.00 0.00 C ATOM 1738 C ILE A 110 -19.072 -3.760 8.711 1.00 0.00 C ATOM 1739 O ILE A 110 -19.626 -4.282 9.657 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.065 -1.490 9.767 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.956 0.011 9.475 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.822 -1.963 10.521 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.709 0.294 8.628 1.00 0.00 C ATOM 0 H ILE A 110 -21.313 -2.318 8.360 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.393 -1.936 7.778 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.947 -1.674 10.380 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.848 0.353 8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.904 0.569 10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.735 -1.415 11.459 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.907 -3.029 10.730 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.936 -1.783 9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.641 1.363 8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.820 -0.030 9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.778 -0.249 7.686 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.360 -4.460 7.871 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.211 -5.931 8.058 1.00 0.00 C ATOM 1757 C ARG A 111 -16.862 -6.206 8.716 1.00 0.00 C ATOM 1758 O ARG A 111 -15.817 -5.953 8.148 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.260 -6.630 6.689 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.708 -6.930 6.240 1.00 0.00 C ATOM 1761 CD ARG A 111 -20.736 -6.079 6.995 1.00 0.00 C ATOM 1762 NE ARG A 111 -21.136 -6.774 8.251 1.00 0.00 N ATOM 1763 CZ ARG A 111 -22.099 -7.659 8.231 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -22.695 -7.948 7.105 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -22.465 -8.258 9.334 1.00 0.00 N ATOM 0 H ARG A 111 -17.874 -4.075 7.061 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.018 -6.309 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.773 -6.001 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.696 -7.561 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -19.801 -6.744 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.925 -7.986 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.313 -5.102 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.611 -5.907 6.368 1.00 0.00 H new ATOM 0 HE ARG A 111 -20.659 -6.560 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -22.409 -7.484 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -23.446 -8.638 7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -21.999 -8.036 10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.216 -8.948 9.315 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.872 -6.711 9.915 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.586 -6.988 10.604 1.00 0.00 C ATOM 1781 C LEU A 112 -15.246 -8.473 10.474 1.00 0.00 C ATOM 1782 O LEU A 112 -16.092 -9.329 10.634 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.709 -6.632 12.085 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.386 -5.269 12.238 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.247 -4.790 13.683 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.734 -4.253 11.294 1.00 0.00 C ATOM 0 H LEU A 112 -17.712 -6.943 10.446 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.799 -6.388 10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.288 -7.396 12.605 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.722 -6.611 12.546 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.442 -5.363 11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.729 -3.819 13.792 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.722 -5.508 14.352 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.191 -4.701 13.937 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.221 -3.285 11.409 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.676 -4.158 11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.840 -4.593 10.264 1.00 0.00 H new ATOM 1798 N SER A 113 -14.012 -8.787 10.197 1.00 0.00 N ATOM 1799 CA SER A 113 -13.624 -10.218 10.074 1.00 0.00 C ATOM 1800 C SER A 113 -13.195 -10.731 11.447 1.00 0.00 C ATOM 1801 O SER A 113 -13.150 -9.992 12.410 1.00 0.00 O ATOM 1802 CB SER A 113 -12.462 -10.358 9.092 1.00 0.00 C ATOM 1803 OG SER A 113 -11.253 -9.978 9.731 1.00 0.00 O ATOM 0 H SER A 113 -13.257 -8.116 10.051 1.00 0.00 H new ATOM 0 HA SER A 113 -14.471 -10.798 9.706 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.392 -11.387 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.635 -9.733 8.216 1.00 0.00 H new ATOM 0 HG SER A 113 -11.232 -9.004 9.839 1.00 0.00 H new ATOM 1809 N HIS A 114 -12.877 -11.990 11.547 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.447 -12.545 12.859 1.00 0.00 C ATOM 1811 C HIS A 114 -11.344 -11.659 13.442 1.00 0.00 C ATOM 1812 O HIS A 114 -11.219 -11.514 14.642 1.00 0.00 O ATOM 1813 CB HIS A 114 -11.906 -13.961 12.653 1.00 0.00 C ATOM 1814 CG HIS A 114 -11.617 -14.590 13.988 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -12.616 -14.856 14.914 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -10.444 -15.017 14.566 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -12.033 -15.420 15.989 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -10.715 -15.540 15.827 1.00 0.00 N ATOM 0 H HIS A 114 -12.896 -12.659 10.777 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.294 -12.573 13.544 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -12.632 -14.562 12.106 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.998 -13.930 12.050 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.466 -14.956 14.112 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -12.567 -15.736 16.873 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.045 -15.933 16.489 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.540 -11.067 12.603 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.444 -10.196 13.114 1.00 0.00 C ATOM 1829 C GLU A 115 -10.034 -9.037 13.918 1.00 0.00 C ATOM 1830 O GLU A 115 -9.430 -8.550 14.852 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.643 -9.644 11.934 1.00 0.00 C ATOM 1832 CG GLU A 115 -7.956 -10.796 11.196 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.087 -10.233 10.072 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -7.180 -9.043 9.816 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -6.343 -10.999 9.482 1.00 0.00 O ATOM 0 H GLU A 115 -10.594 -11.148 11.588 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.789 -10.782 13.759 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.303 -9.105 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.899 -8.931 12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.344 -11.373 11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.702 -11.477 10.787 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.207 -8.584 13.564 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.825 -7.453 14.313 1.00 0.00 C ATOM 1845 C HIS A 116 -13.207 -7.866 14.828 1.00 0.00 C ATOM 1846 O HIS A 116 -13.885 -8.676 14.229 1.00 0.00 O ATOM 1847 CB HIS A 116 -11.961 -6.242 13.389 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.592 -5.713 13.058 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.751 -5.183 14.026 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.906 -5.616 11.873 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.618 -4.793 13.412 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.663 -5.035 12.101 1.00 0.00 N ATOM 0 H HIS A 116 -11.763 -8.948 12.790 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.191 -7.193 15.160 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.485 -6.524 12.476 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.556 -5.467 13.872 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.275 -5.941 10.911 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.778 -4.341 13.918 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.939 -4.836 11.411 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.623 -7.317 15.940 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.957 -7.681 16.500 1.00 0.00 C ATOM 1863 C GLN A 117 -15.853 -6.441 16.595 1.00 0.00 C ATOM 1864 O GLN A 117 -17.063 -6.541 16.558 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.781 -8.280 17.897 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.223 -7.213 18.841 1.00 0.00 C ATOM 1867 CD GLN A 117 -13.902 -7.849 20.196 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -13.505 -8.994 20.263 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.050 -7.147 21.285 1.00 0.00 N ATOM 0 H GLN A 117 -13.096 -6.633 16.483 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.425 -8.410 15.839 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.737 -8.647 18.270 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.105 -9.134 17.856 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.324 -6.768 18.414 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.948 -6.409 18.967 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -14.384 -6.185 21.230 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.832 -7.560 22.192 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.278 -5.275 16.725 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.120 -4.047 16.831 1.00 0.00 C ATOM 1880 C ALA A 118 -15.387 -2.850 16.217 1.00 0.00 C ATOM 1881 O ALA A 118 -14.177 -2.837 16.109 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.416 -3.759 18.304 1.00 0.00 C ATOM 0 H ALA A 118 -14.271 -5.120 16.762 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.053 -4.208 16.291 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.031 -2.862 18.383 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.949 -4.604 18.740 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.479 -3.605 18.840 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.119 -1.843 15.819 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.476 -0.640 15.217 1.00 0.00 C ATOM 1890 C TYR A 119 -16.127 0.627 15.776 1.00 0.00 C ATOM 1891 O TYR A 119 -17.257 0.610 16.222 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.675 -0.672 13.704 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.131 -0.425 13.393 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -18.041 -1.488 13.436 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.568 0.859 13.059 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.390 -1.265 13.147 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.919 1.084 12.769 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.831 0.020 12.812 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.161 0.242 12.524 1.00 0.00 O ATOM 0 H TYR A 119 -17.136 -1.802 15.885 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.413 -0.640 15.456 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -15.054 0.087 13.227 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.363 -1.637 13.304 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.701 -2.480 13.692 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.864 1.677 13.025 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.092 -2.085 13.182 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.258 2.077 12.512 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.296 1.189 12.313 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.431 1.730 15.739 1.00 0.00 N ATOM 1910 CA ARG A 120 -16.019 2.999 16.253 1.00 0.00 C ATOM 1911 C ARG A 120 -15.661 4.150 15.317 1.00 0.00 C ATOM 1912 O ARG A 120 -14.614 4.159 14.701 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.461 3.327 17.639 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.920 2.282 18.655 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.500 2.731 20.057 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.714 1.622 21.027 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.742 1.876 22.307 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -15.589 3.099 22.731 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.924 0.907 23.162 1.00 0.00 N ATOM 0 H ARG A 120 -14.481 1.807 15.375 1.00 0.00 H new ATOM 0 HA ARG A 120 -17.100 2.872 16.310 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.372 3.356 17.603 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.796 4.317 17.949 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -17.002 2.160 18.607 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.480 1.312 18.423 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.451 3.027 20.055 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -16.078 3.605 20.357 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.838 0.667 20.692 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.448 3.857 22.063 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -15.611 3.299 23.731 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -16.045 -0.050 22.830 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.946 1.107 24.162 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.509 5.134 15.236 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.211 6.309 14.375 1.00 0.00 C ATOM 1935 C TRP A 121 -15.837 7.474 15.285 1.00 0.00 C ATOM 1936 O TRP A 121 -16.667 8.018 15.986 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.444 6.656 13.539 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.505 5.736 12.365 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.185 4.568 12.325 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.862 5.881 11.069 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -18.002 3.988 11.080 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.193 4.762 10.271 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.029 6.871 10.514 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.715 4.630 8.966 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.548 6.740 9.204 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.889 5.624 8.431 1.00 0.00 C ATOM 0 H TRP A 121 -17.400 5.175 15.731 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.388 6.092 13.694 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.347 6.559 14.141 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.393 7.692 13.204 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.774 4.155 13.131 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.414 3.099 10.796 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.759 7.736 11.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.981 3.767 8.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.910 7.506 8.788 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.515 5.530 7.422 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.585 7.841 15.307 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.152 8.946 16.209 1.00 0.00 C ATOM 1959 C LEU A 122 -13.347 9.983 15.430 1.00 0.00 C ATOM 1960 O LEU A 122 -13.027 9.805 14.271 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.276 8.381 17.331 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.634 6.912 17.599 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.515 6.006 17.087 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.816 6.705 19.105 1.00 0.00 C ATOM 0 H LEU A 122 -13.845 7.425 14.741 1.00 0.00 H new ATOM 0 HA LEU A 122 -15.040 9.419 16.629 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.224 8.462 17.056 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.414 8.967 18.239 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.560 6.662 17.081 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.773 4.965 17.279 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.387 6.156 16.015 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.585 6.250 17.601 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -14.070 5.663 19.301 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.889 6.956 19.621 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.618 7.349 19.466 1.00 0.00 H new ATOM 1976 N GLY A 123 -13.013 11.071 16.071 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.223 12.130 15.387 1.00 0.00 C ATOM 1978 C GLY A 123 -10.735 11.781 15.457 1.00 0.00 C ATOM 1979 O GLY A 123 -10.353 10.735 15.944 1.00 0.00 O ATOM 0 H GLY A 123 -13.255 11.271 17.042 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.538 12.219 14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.404 13.096 15.859 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.890 12.645 14.966 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.426 12.360 14.994 1.00 0.00 C ATOM 1985 C LEU A 124 -7.945 12.168 16.436 1.00 0.00 C ATOM 1986 O LEU A 124 -7.138 11.307 16.718 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.676 13.537 14.361 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.166 13.290 14.423 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.838 11.885 13.920 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.461 14.318 13.537 1.00 0.00 C ATOM 0 H LEU A 124 -10.150 13.537 14.546 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.231 11.445 14.435 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.990 13.664 13.325 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.924 14.460 14.884 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.828 13.384 15.455 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.761 11.723 13.970 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.345 11.148 14.543 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.174 11.780 12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.384 14.152 13.573 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.810 14.213 12.510 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.685 15.322 13.896 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.424 12.973 17.349 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.982 12.847 18.772 1.00 0.00 C ATOM 2004 C GLU A 125 -8.269 11.442 19.301 1.00 0.00 C ATOM 2005 O GLU A 125 -7.389 10.754 19.779 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.740 13.868 19.622 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.230 13.506 19.641 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.030 14.646 20.269 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -11.756 15.305 19.541 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -10.911 14.838 21.468 1.00 0.00 O ATOM 0 H GLU A 125 -9.103 13.713 17.171 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.909 13.031 18.827 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.344 13.879 20.637 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.603 14.870 19.216 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.581 13.318 18.626 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.383 12.587 20.206 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.494 11.007 19.220 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.832 9.649 19.721 1.00 0.00 C ATOM 2020 C GLU A 126 -9.203 8.616 18.799 1.00 0.00 C ATOM 2021 O GLU A 126 -8.600 7.659 19.238 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.347 9.476 19.718 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.905 9.642 21.135 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.263 10.852 21.817 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -10.217 10.686 22.420 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -11.841 11.925 21.738 1.00 0.00 O ATOM 0 H GLU A 126 -10.275 11.533 18.829 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.454 9.519 20.735 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.802 10.210 19.053 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.606 8.491 19.331 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.987 9.769 21.095 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.711 8.742 21.718 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.314 8.804 17.521 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.692 7.829 16.598 1.00 0.00 C ATOM 2036 C ALA A 127 -7.218 7.734 16.971 1.00 0.00 C ATOM 2037 O ALA A 127 -6.614 6.683 16.925 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.848 8.318 15.162 1.00 0.00 C ATOM 0 H ALA A 127 -9.803 9.582 17.079 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.166 6.851 16.676 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.390 7.600 14.481 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.907 8.418 14.925 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.358 9.286 15.052 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.653 8.834 17.376 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.231 8.835 17.798 1.00 0.00 C ATOM 2046 C CYS A 128 -5.131 8.195 19.183 1.00 0.00 C ATOM 2047 O CYS A 128 -4.207 7.462 19.478 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.725 10.279 17.860 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.070 10.762 16.243 1.00 0.00 S ATOM 0 H CYS A 128 -7.121 9.739 17.433 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.626 8.272 17.087 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.536 10.947 18.150 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.949 10.371 18.620 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.643 11.989 16.297 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.082 8.461 20.040 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.040 7.866 21.406 1.00 0.00 C ATOM 2057 C GLN A 129 -6.191 6.346 21.309 1.00 0.00 C ATOM 2058 O GLN A 129 -5.447 5.601 21.914 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.163 8.468 22.264 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.431 7.612 22.210 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.289 6.405 23.137 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.210 6.108 23.606 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.348 5.701 23.428 1.00 0.00 N ATOM 0 H GLN A 129 -6.884 9.063 19.853 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.083 8.091 21.876 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.826 8.556 23.297 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.388 9.476 21.915 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.294 8.208 22.506 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.610 7.277 21.188 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.253 5.954 23.032 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.271 4.898 24.052 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.139 5.883 20.548 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.334 4.409 20.401 1.00 0.00 C ATOM 2074 C LEU A 130 -6.149 3.815 19.644 1.00 0.00 C ATOM 2075 O LEU A 130 -5.616 2.790 20.014 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.613 4.145 19.617 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.823 4.574 20.443 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.872 5.173 19.519 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.420 3.357 21.150 1.00 0.00 C ATOM 0 H LEU A 130 -7.792 6.460 20.018 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.407 3.951 21.387 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.592 4.692 18.674 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.687 3.086 19.370 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.513 5.311 21.183 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.739 5.481 20.104 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.453 6.039 19.006 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.177 4.429 18.784 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.284 3.666 21.739 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.731 2.621 20.408 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.672 2.915 21.808 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.717 4.459 18.594 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.554 3.933 17.832 1.00 0.00 C ATOM 2093 C ALA A 131 -3.289 4.270 18.619 1.00 0.00 C ATOM 2094 O ALA A 131 -2.379 4.902 18.125 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.498 4.580 16.450 1.00 0.00 C ATOM 0 H ALA A 131 -6.119 5.324 18.233 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.643 2.855 17.699 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.643 4.188 15.899 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.415 4.354 15.905 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.397 5.660 16.558 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.258 3.851 19.855 1.00 0.00 N ATOM 2102 CA GLN A 132 -2.089 4.135 20.737 1.00 0.00 C ATOM 2103 C GLN A 132 -0.797 4.067 19.927 1.00 0.00 C ATOM 2104 O GLN A 132 0.139 4.796 20.180 1.00 0.00 O ATOM 2105 CB GLN A 132 -2.026 3.090 21.858 1.00 0.00 C ATOM 2106 CG GLN A 132 -3.088 2.009 21.627 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.426 2.451 22.230 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -5.413 1.754 22.116 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -4.502 3.587 22.871 1.00 0.00 N ATOM 0 H GLN A 132 -4.005 3.316 20.298 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.202 5.132 21.163 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -1.035 2.637 21.889 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.188 3.570 22.823 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.204 1.824 20.559 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.768 1.071 22.080 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.674 4.174 22.968 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.390 3.887 23.274 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.735 3.202 18.956 1.00 0.00 N ATOM 2119 CA PHE A 133 0.510 3.104 18.143 1.00 0.00 C ATOM 2120 C PHE A 133 0.830 4.486 17.561 1.00 0.00 C ATOM 2121 O PHE A 133 0.043 5.069 16.846 1.00 0.00 O ATOM 2122 CB PHE A 133 0.298 2.102 17.005 1.00 0.00 C ATOM 2123 CG PHE A 133 -0.284 0.813 17.551 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.115 0.328 18.805 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -1.225 0.102 16.797 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.431 -0.860 19.303 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.773 -1.086 17.298 1.00 0.00 C ATOM 2128 CZ PHE A 133 -1.372 -1.567 18.548 1.00 0.00 C ATOM 0 H PHE A 133 -1.484 2.563 18.690 1.00 0.00 H new ATOM 0 HA PHE A 133 1.337 2.766 18.767 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.372 2.525 16.257 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.246 1.900 16.506 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.844 0.872 19.387 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.529 0.470 15.828 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -0.126 -1.231 20.270 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.505 -1.630 16.719 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.790 -2.486 18.931 1.00 0.00 H new ATOM 2138 N LYS A 134 1.988 5.008 17.869 1.00 0.00 N ATOM 2139 CA LYS A 134 2.377 6.351 17.348 1.00 0.00 C ATOM 2140 C LYS A 134 2.332 6.354 15.821 1.00 0.00 C ATOM 2141 O LYS A 134 2.022 7.350 15.199 1.00 0.00 O ATOM 2142 CB LYS A 134 3.800 6.672 17.809 1.00 0.00 C ATOM 2143 CG LYS A 134 4.238 8.029 17.255 1.00 0.00 C ATOM 2144 CD LYS A 134 5.681 8.308 17.683 1.00 0.00 C ATOM 2145 CE LYS A 134 6.112 9.689 17.180 1.00 0.00 C ATOM 2146 NZ LYS A 134 5.020 10.671 17.432 1.00 0.00 N ATOM 0 H LYS A 134 2.685 4.559 18.463 1.00 0.00 H new ATOM 0 HA LYS A 134 1.681 7.099 17.728 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.844 6.684 18.898 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.484 5.894 17.471 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.162 8.033 16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.579 8.815 17.623 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.763 8.264 18.769 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.344 7.541 17.282 1.00 0.00 H new ATOM 0 HE2 LYS A 134 7.024 10.005 17.687 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.338 9.646 16.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.406 11.636 17.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.285 10.567 16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.605 10.496 18.370 1.00 0.00 H new ATOM 2160 N GLU A 135 2.656 5.250 15.214 1.00 0.00 N ATOM 2161 CA GLU A 135 2.651 5.188 13.726 1.00 0.00 C ATOM 2162 C GLU A 135 1.265 5.541 13.204 1.00 0.00 C ATOM 2163 O GLU A 135 1.114 6.287 12.257 1.00 0.00 O ATOM 2164 CB GLU A 135 2.967 3.761 13.289 1.00 0.00 C ATOM 2165 CG GLU A 135 4.106 3.207 14.139 1.00 0.00 C ATOM 2166 CD GLU A 135 4.429 1.781 13.690 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.423 1.247 14.152 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.672 1.246 12.897 1.00 0.00 O ATOM 0 H GLU A 135 2.925 4.385 15.683 1.00 0.00 H new ATOM 0 HA GLU A 135 3.390 5.887 13.335 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.082 3.133 13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.245 3.746 12.235 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.988 3.839 14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.825 3.213 15.192 1.00 0.00 H new ATOM 2176 N MET A 136 0.248 4.994 13.806 1.00 0.00 N ATOM 2177 CA MET A 136 -1.131 5.273 13.343 1.00 0.00 C ATOM 2178 C MET A 136 -1.550 6.662 13.814 1.00 0.00 C ATOM 2179 O MET A 136 -2.061 7.457 13.046 1.00 0.00 O ATOM 2180 CB MET A 136 -2.059 4.211 13.914 1.00 0.00 C ATOM 2181 CG MET A 136 -1.491 2.827 13.581 1.00 0.00 C ATOM 2182 SD MET A 136 -1.108 2.727 11.815 1.00 0.00 S ATOM 2183 CE MET A 136 -2.726 3.230 11.187 1.00 0.00 C ATOM 0 H MET A 136 0.317 4.362 14.604 1.00 0.00 H new ATOM 0 HA MET A 136 -1.182 5.247 12.255 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.151 4.331 14.993 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.059 4.319 13.495 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.591 2.643 14.168 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.211 2.054 13.850 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.890 2.785 10.205 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.503 2.892 11.872 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.762 4.316 11.104 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.303 6.988 15.052 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.656 8.350 15.521 1.00 0.00 C ATOM 2195 C LYS A 137 -0.981 9.323 14.568 1.00 0.00 C ATOM 2196 O LYS A 137 -1.493 10.384 14.275 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.152 8.560 16.952 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.139 7.914 17.930 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.396 7.093 18.982 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.651 8.011 19.950 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.347 9.304 19.283 1.00 0.00 N ATOM 0 H LYS A 137 -0.877 6.377 15.749 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.735 8.501 15.530 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.162 8.119 17.071 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.055 9.625 17.164 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.734 8.686 18.418 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.833 7.274 17.385 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.102 6.471 19.532 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.691 6.420 18.495 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.256 8.184 20.840 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.273 7.535 20.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.130 9.938 19.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.274 9.136 18.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.232 9.744 18.960 1.00 0.00 H new ATOM 2215 N ALA A 138 0.158 8.934 14.057 1.00 0.00 N ATOM 2216 CA ALA A 138 0.880 9.790 13.082 1.00 0.00 C ATOM 2217 C ALA A 138 0.218 9.628 11.709 1.00 0.00 C ATOM 2218 O ALA A 138 -0.078 10.593 11.033 1.00 0.00 O ATOM 2219 CB ALA A 138 2.334 9.345 12.994 1.00 0.00 C ATOM 0 H ALA A 138 0.619 8.052 14.278 1.00 0.00 H new ATOM 0 HA ALA A 138 0.841 10.832 13.399 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.864 9.973 12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.802 9.437 13.974 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.377 8.306 12.667 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.028 8.406 11.301 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.684 8.175 9.981 1.00 0.00 C ATOM 2227 C ALA A 139 -2.021 8.907 9.971 1.00 0.00 C ATOM 2228 O ALA A 139 -2.304 9.702 9.097 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.923 6.673 9.790 1.00 0.00 C ATOM 0 H ALA A 139 0.198 7.561 11.826 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.049 8.544 9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.402 6.500 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.031 6.146 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.568 6.303 10.587 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.835 8.668 10.961 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.138 9.375 11.035 1.00 0.00 C ATOM 2237 C LEU A 140 -3.834 10.872 11.102 1.00 0.00 C ATOM 2238 O LEU A 140 -4.581 11.703 10.627 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.880 8.939 12.303 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.987 7.408 12.331 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.864 6.915 13.775 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.343 6.967 11.774 1.00 0.00 C ATOM 0 H LEU A 140 -2.652 8.013 11.721 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.761 9.145 10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.351 9.294 13.187 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.875 9.384 12.327 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.188 6.987 11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.940 5.828 13.796 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.900 7.219 14.183 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.664 7.346 14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.410 5.879 11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.142 7.393 12.381 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.444 7.314 10.746 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.719 11.203 11.700 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.306 12.629 11.828 1.00 0.00 C ATOM 2256 C GLN A 141 -1.816 13.167 10.486 1.00 0.00 C ATOM 2257 O GLN A 141 -2.250 14.203 10.027 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.158 12.717 12.834 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.689 13.196 14.184 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.967 14.696 14.104 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.983 15.381 15.106 1.00 0.00 O ATOM 2262 NE2 GLN A 141 -2.180 15.236 12.936 1.00 0.00 N ATOM 0 H GLN A 141 -2.068 10.533 12.111 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.162 13.218 12.159 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.684 11.742 12.945 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.394 13.404 12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.601 12.657 14.443 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.962 12.989 14.970 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.166 14.657 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.361 16.237 12.862 1.00 0.00 H new ATOM 2271 N GLU A 142 -0.903 12.480 9.856 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.380 12.973 8.551 1.00 0.00 C ATOM 2273 C GLU A 142 -1.502 12.944 7.514 1.00 0.00 C ATOM 2274 O GLU A 142 -1.606 13.818 6.675 1.00 0.00 O ATOM 2275 CB GLU A 142 0.774 12.080 8.087 1.00 0.00 C ATOM 2276 CG GLU A 142 1.922 12.157 9.096 1.00 0.00 C ATOM 2277 CD GLU A 142 2.461 13.587 9.147 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.215 14.325 8.210 1.00 0.00 O ATOM 2279 OE2 GLU A 142 3.110 13.920 10.126 1.00 0.00 O ATOM 0 H GLU A 142 -0.499 11.604 10.186 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.017 13.994 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.432 11.050 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 142 1.120 12.397 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.574 11.853 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 142 2.717 11.467 8.812 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.347 11.952 7.563 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.458 11.884 6.576 1.00 0.00 C ATOM 2289 C GLY A 143 -4.377 13.091 6.772 1.00 0.00 C ATOM 2290 O GLY A 143 -4.729 13.773 5.833 1.00 0.00 O ATOM 0 H GLY A 143 -2.316 11.190 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.060 11.876 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.020 10.959 6.705 1.00 0.00 H new ATOM 2294 N HIS A 144 -4.754 13.365 7.992 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.639 14.535 8.250 1.00 0.00 C ATOM 2296 C HIS A 144 -4.911 15.809 7.826 1.00 0.00 C ATOM 2297 O HIS A 144 -5.487 16.709 7.248 1.00 0.00 O ATOM 2298 CB HIS A 144 -5.959 14.615 9.745 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.013 15.662 9.980 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -7.263 16.186 11.239 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -7.885 16.299 9.127 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -8.246 17.096 11.114 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -8.659 17.202 9.850 1.00 0.00 N ATOM 0 H HIS A 144 -4.488 12.830 8.819 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.565 14.427 7.685 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.307 13.647 10.105 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.058 14.859 10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -7.957 16.125 8.063 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -8.650 17.669 11.935 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -9.389 17.816 9.489 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.647 15.886 8.127 1.00 0.00 N ATOM 2313 CA GLN A 145 -2.859 17.096 7.767 1.00 0.00 C ATOM 2314 C GLN A 145 -2.967 17.368 6.265 1.00 0.00 C ATOM 2315 O GLN A 145 -3.143 18.492 5.839 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.391 16.852 8.125 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.602 18.152 7.954 1.00 0.00 C ATOM 2318 CD GLN A 145 -0.988 19.136 9.057 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.208 18.745 10.188 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.084 20.407 8.777 1.00 0.00 N ATOM 0 H GLN A 145 -3.122 15.158 8.610 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.247 17.955 8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.310 16.497 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -0.974 16.074 7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.468 17.947 7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.807 18.588 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -0.900 20.736 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.343 21.072 9.506 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.846 16.351 5.455 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.924 16.562 3.982 1.00 0.00 C ATOM 2331 C PHE A 146 -4.351 16.914 3.546 1.00 0.00 C ATOM 2332 O PHE A 146 -4.556 17.821 2.767 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.479 15.293 3.266 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.633 15.493 1.778 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.881 15.295 1.182 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.538 15.884 1.000 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -4.039 15.485 -0.193 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.696 16.076 -0.379 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.947 15.875 -0.975 1.00 0.00 C ATOM 0 H PHE A 146 -2.697 15.386 5.749 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.269 17.394 3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.441 15.066 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.077 14.444 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.725 14.995 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.573 16.037 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -5.004 15.331 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.853 16.379 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 146 -3.069 16.021 -2.038 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.335 16.205 4.021 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.732 16.515 3.602 1.00 0.00 C ATOM 2351 C LEU A 147 -7.022 17.996 3.843 1.00 0.00 C ATOM 2352 O LEU A 147 -7.788 18.610 3.128 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.724 15.651 4.380 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.522 14.179 4.005 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.566 13.323 4.717 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.688 14.008 2.493 1.00 0.00 C ATOM 0 H LEU A 147 -5.236 15.430 4.676 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.842 16.296 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.579 15.788 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.745 15.958 4.154 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.521 13.867 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.422 12.276 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.459 13.440 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.564 13.640 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.544 12.961 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.689 14.323 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.949 14.619 1.974 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.404 18.585 4.826 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.636 20.030 5.079 1.00 0.00 C ATOM 2370 C CYS A 148 -5.835 20.842 4.055 1.00 0.00 C ATOM 2371 O CYS A 148 -6.042 22.026 3.881 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.177 20.382 6.497 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.295 19.615 7.696 1.00 0.00 S ATOM 0 H CYS A 148 -5.750 18.129 5.463 1.00 0.00 H new ATOM 0 HA CYS A 148 -7.697 20.261 4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.157 20.033 6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.169 21.464 6.631 1.00 0.00 H new ATOM 0 HG CYS A 148 -6.907 19.910 8.901 1.00 0.00 H new ATOM 2379 N SER A 149 -4.912 20.205 3.381 1.00 0.00 N ATOM 2380 CA SER A 149 -4.084 20.926 2.371 1.00 0.00 C ATOM 2381 C SER A 149 -4.778 20.917 1.005 1.00 0.00 C ATOM 2382 O SER A 149 -4.301 21.514 0.058 1.00 0.00 O ATOM 2383 CB SER A 149 -2.727 20.229 2.244 1.00 0.00 C ATOM 2384 OG SER A 149 -1.982 20.429 3.439 1.00 0.00 O ATOM 0 H SER A 149 -4.696 19.214 3.488 1.00 0.00 H new ATOM 0 HA SER A 149 -3.951 21.958 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.868 19.163 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.179 20.627 1.390 1.00 0.00 H new ATOM 0 HG SER A 149 -2.326 19.839 4.142 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.888 20.242 0.881 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.582 20.205 -0.437 1.00 0.00 C ATOM 2392 C ILE A 150 -7.526 21.401 -0.551 1.00 0.00 C ATOM 2393 O ILE A 150 -7.141 22.536 -0.340 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.393 18.910 -0.561 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.728 17.794 0.243 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.453 18.497 -2.032 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.600 16.538 0.176 1.00 0.00 C ATOM 0 H ILE A 150 -6.342 19.718 1.629 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.838 20.246 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.398 19.079 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.735 17.584 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.596 18.105 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.028 17.576 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.931 19.286 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.442 18.334 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.130 15.738 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.583 16.755 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.709 16.226 -0.863 1.00 0.00 H new