USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 915 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 25 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-2.1!) USER MOD Set 1.2: A 114 SER OG : rot 53:sc= 0.00849 USER MOD Set 2.1: A 87 ASN : amide:sc= -1.61! C(o=-1.7!,f=-6.1!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -171:sc= -0.0972 (180deg=-0.249) USER MOD Set 3.1: A 84 ASN : amide:sc= 0 X(o=-0.32,f=-0.019) USER MOD Set 3.2: A 124 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.019) USER MOD Set 4.1: A 64 GLN : amide:sc= -6.68! C(o=-15!,f=-15!) USER MOD Set 4.2: A 69 TYR OH : rot 150:sc= -0.26 USER MOD Set 4.3: A 94 GLN : amide:sc= -8.19! C(o=-15!,f=-15!) USER MOD Set 5.1: A 48 ASN : amide:sc= -0.789 K(o=-0.79,f=-1.3) USER MOD Set 5.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 37:sc= 0.379 USER MOD Single : A 20 THR OG1 : rot 74:sc= 0.559 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.584 (180deg=-1.35) USER MOD Single : A 28 CYS SG : rot 29:sc= 0.177 USER MOD Single : A 31 ASN : amide:sc= -0.0774 K(o=-0.077,f=-1.4!) USER MOD Single : A 36 THR OG1 : rot -174:sc= 0.96 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0846 (180deg=-0.484) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 38:sc= 0.847 USER MOD Single : A 54 HIS : no HD1:sc= -0.0742 X(o=-0.074,f=-0.18) USER MOD Single : A 56 ASN : amide:sc= -0.44 K(o=-0.44,f=-4.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.6!) USER MOD Single : A 63 CYS SG : rot -90:sc= -1.2 USER MOD Single : A 71 CYS SG : rot 19:sc= -4.64! USER MOD Single : A 73 THR OG1 : rot -170:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 73:sc= 0.0176 USER MOD Single : A 96 THR OG1 : rot 76:sc= 1.03 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.059) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 107 TYR OH : rot 155:sc= -0.553 USER MOD Single : A 109 MET CE :methyl -164:sc= -3.2! (180deg=-3.86!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0.017 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0702 K(o=-0.07,f=-0.88) USER MOD Single : A 122 LYS NZ :NH3+ -136:sc= 1.52 (180deg=-0.28) USER MOD Single : A 123 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.352 7.476 6.676 1.00 0.00 N ATOM 94 CA ILE A 10 -2.244 6.903 5.340 1.00 0.00 C ATOM 95 C ILE A 10 -3.467 7.243 4.496 1.00 0.00 C ATOM 96 O ILE A 10 -4.604 7.130 4.956 1.00 0.00 O ATOM 97 CB ILE A 10 -2.081 5.372 5.395 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.910 4.994 6.304 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.876 4.810 3.996 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.079 3.652 6.982 1.00 0.00 C ATOM 0 HA ILE A 10 -1.356 7.338 4.881 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.992 4.939 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.007 4.981 5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.789 5.764 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.762 3.727 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.739 5.053 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.979 5.247 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.211 3.450 7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.978 3.666 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.170 2.872 6.227 1.00 0.00 H new ATOM 112 N LEU A 11 -3.227 7.657 3.256 1.00 0.00 N ATOM 113 CA LEU A 11 -4.310 8.012 2.345 1.00 0.00 C ATOM 114 C LEU A 11 -4.338 7.075 1.142 1.00 0.00 C ATOM 115 O LEU A 11 -5.406 6.718 0.644 1.00 0.00 O ATOM 116 CB LEU A 11 -4.154 9.459 1.875 1.00 0.00 C ATOM 117 CG LEU A 11 -4.330 10.535 2.947 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.665 11.833 2.515 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.807 10.762 3.238 1.00 0.00 C ATOM 0 H LEU A 11 -2.293 7.755 2.859 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.252 7.911 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.164 9.572 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.879 9.643 1.082 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.848 10.191 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.801 12.587 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.600 11.662 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.117 12.182 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.913 11.531 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.312 11.084 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.255 9.834 3.592 1.00 0.00 H new ATOM 131 N PHE A 12 -3.157 6.677 0.680 1.00 0.00 N ATOM 132 CA PHE A 12 -3.046 5.780 -0.464 1.00 0.00 C ATOM 133 C PHE A 12 -2.447 4.440 -0.048 1.00 0.00 C ATOM 134 O PHE A 12 -1.480 4.389 0.712 1.00 0.00 O ATOM 135 CB PHE A 12 -2.187 6.418 -1.558 1.00 0.00 C ATOM 136 CG PHE A 12 -2.279 5.712 -2.880 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.264 6.051 -3.794 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.380 4.711 -3.210 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.351 5.402 -5.011 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.462 4.059 -4.426 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.448 4.406 -5.328 1.00 0.00 C ATOM 0 H PHE A 12 -2.263 6.962 1.081 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.048 5.604 -0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.491 7.457 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.147 6.428 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.971 6.831 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.606 4.437 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.125 5.673 -5.714 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.756 3.279 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.513 3.900 -6.280 1.00 0.00 H new ATOM 151 N ALA A 13 -3.029 3.357 -0.552 1.00 0.00 N ATOM 152 CA ALA A 13 -2.552 2.016 -0.234 1.00 0.00 C ATOM 153 C ALA A 13 -2.994 1.012 -1.294 1.00 0.00 C ATOM 154 O ALA A 13 -4.187 0.764 -1.470 1.00 0.00 O ATOM 155 CB ALA A 13 -3.049 1.590 1.139 1.00 0.00 C ATOM 0 H ALA A 13 -3.831 3.381 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.462 2.038 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.685 0.587 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.680 2.286 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.139 1.591 1.148 1.00 0.00 H new ATOM 161 N VAL A 14 -2.024 0.435 -1.997 1.00 0.00 N ATOM 162 CA VAL A 14 -2.313 -0.543 -3.039 1.00 0.00 C ATOM 163 C VAL A 14 -1.275 -1.660 -3.047 1.00 0.00 C ATOM 164 O VAL A 14 -0.119 -1.450 -2.679 1.00 0.00 O ATOM 165 CB VAL A 14 -2.354 0.115 -4.431 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.027 1.477 -4.358 1.00 0.00 C ATOM 167 CG2 VAL A 14 -0.950 0.235 -5.004 1.00 0.00 C ATOM 0 H VAL A 14 -1.031 0.628 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.293 -0.963 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.941 -0.518 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.047 1.927 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.047 1.360 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.470 2.122 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.997 0.702 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.338 0.846 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.508 -0.757 -5.094 1.00 0.00 H new ATOM 177 N VAL A 15 -1.696 -2.848 -3.470 1.00 0.00 N ATOM 178 CA VAL A 15 -0.802 -3.999 -3.528 1.00 0.00 C ATOM 179 C VAL A 15 -0.535 -4.414 -4.970 1.00 0.00 C ATOM 180 O VAL A 15 -1.462 -4.576 -5.762 1.00 0.00 O ATOM 181 CB VAL A 15 -1.384 -5.200 -2.758 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.359 -6.320 -2.665 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.846 -4.772 -1.374 1.00 0.00 C ATOM 0 H VAL A 15 -2.650 -3.039 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 15 0.135 -3.697 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.249 -5.576 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.787 -7.160 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.082 -6.644 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.527 -5.960 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.254 -5.633 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.000 -4.370 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.615 -4.006 -1.468 1.00 0.00 H new ATOM 193 N ALA A 16 0.740 -4.585 -5.304 1.00 0.00 N ATOM 194 CA ALA A 16 1.131 -4.985 -6.650 1.00 0.00 C ATOM 195 C ALA A 16 2.314 -5.946 -6.616 1.00 0.00 C ATOM 196 O ALA A 16 3.196 -5.830 -5.766 1.00 0.00 O ATOM 197 CB ALA A 16 1.467 -3.760 -7.487 1.00 0.00 C ATOM 0 H ALA A 16 1.520 -4.453 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 16 0.289 -5.504 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.757 -4.073 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.594 -3.110 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.291 -3.217 -7.023 1.00 0.00 H new ATOM 203 N ARG A 17 2.325 -6.896 -7.546 1.00 0.00 N ATOM 204 CA ARG A 17 3.399 -7.879 -7.620 1.00 0.00 C ATOM 205 C ARG A 17 4.071 -7.847 -8.990 1.00 0.00 C ATOM 206 O ARG A 17 3.418 -8.022 -10.018 1.00 0.00 O ATOM 207 CB ARG A 17 2.856 -9.282 -7.340 1.00 0.00 C ATOM 208 CG ARG A 17 1.613 -9.626 -8.143 1.00 0.00 C ATOM 209 CD ARG A 17 1.250 -11.096 -8.007 1.00 0.00 C ATOM 210 NE ARG A 17 0.583 -11.608 -9.202 1.00 0.00 N ATOM 211 CZ ARG A 17 1.188 -11.754 -10.376 1.00 0.00 C ATOM 212 NH1 ARG A 17 2.466 -11.427 -10.512 1.00 0.00 N ATOM 213 NH2 ARG A 17 0.514 -12.226 -11.416 1.00 0.00 N ATOM 0 H ARG A 17 1.603 -7.005 -8.258 1.00 0.00 H new ATOM 0 HA ARG A 17 4.142 -7.626 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.634 -10.014 -7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.627 -9.368 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.779 -9.011 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.780 -9.387 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.153 -11.677 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.599 -11.230 -7.143 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.401 -11.868 -9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.987 -11.063 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.928 -11.540 -11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.469 -12.477 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.979 -12.338 -12.317 1.00 0.00 H new ATOM 227 N GLY A 18 5.382 -7.621 -8.995 1.00 0.00 N ATOM 228 CA GLY A 18 6.120 -7.569 -10.243 1.00 0.00 C ATOM 229 C GLY A 18 5.437 -6.706 -11.286 1.00 0.00 C ATOM 230 O GLY A 18 4.913 -7.214 -12.278 1.00 0.00 O ATOM 0 H GLY A 18 5.945 -7.473 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.121 -7.181 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.239 -8.580 -10.634 1.00 0.00 H new ATOM 234 N THR A 19 5.441 -5.395 -11.061 1.00 0.00 N ATOM 235 CA THR A 19 4.815 -4.460 -11.987 1.00 0.00 C ATOM 236 C THR A 19 3.398 -4.900 -12.339 1.00 0.00 C ATOM 237 O THR A 19 3.030 -4.966 -13.512 1.00 0.00 O ATOM 238 CB THR A 19 5.634 -4.320 -13.284 1.00 0.00 C ATOM 239 OG1 THR A 19 6.020 -5.614 -13.761 1.00 0.00 O ATOM 240 CG2 THR A 19 6.873 -3.469 -13.053 1.00 0.00 C ATOM 0 H THR A 19 5.871 -4.958 -10.246 1.00 0.00 H new ATOM 0 HA THR A 19 4.778 -3.494 -11.484 1.00 0.00 H new ATOM 0 HB THR A 19 5.010 -3.829 -14.030 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.293 -6.252 -13.601 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.435 -3.385 -13.983 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.575 -2.476 -12.718 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.498 -3.936 -12.292 1.00 0.00 H new ATOM 248 N THR A 20 2.605 -5.198 -11.315 1.00 0.00 N ATOM 249 CA THR A 20 1.228 -5.632 -11.516 1.00 0.00 C ATOM 250 C THR A 20 0.349 -5.237 -10.335 1.00 0.00 C ATOM 251 O THR A 20 0.415 -5.848 -9.268 1.00 0.00 O ATOM 252 CB THR A 20 1.143 -7.157 -11.717 1.00 0.00 C ATOM 253 OG1 THR A 20 2.064 -7.569 -12.733 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.268 -7.574 -12.105 1.00 0.00 C ATOM 0 H THR A 20 2.893 -5.147 -10.338 1.00 0.00 H new ATOM 0 HA THR A 20 0.868 -5.134 -12.416 1.00 0.00 H new ATOM 0 HB THR A 20 1.402 -7.641 -10.775 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.977 -7.536 -12.379 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.303 -8.655 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.963 -7.285 -11.316 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.550 -7.081 -13.035 1.00 0.00 H new ATOM 262 N ILE A 21 -0.474 -4.212 -10.532 1.00 0.00 N ATOM 263 CA ILE A 21 -1.367 -3.738 -9.483 1.00 0.00 C ATOM 264 C ILE A 21 -2.565 -4.667 -9.319 1.00 0.00 C ATOM 265 O ILE A 21 -3.499 -4.641 -10.121 1.00 0.00 O ATOM 266 CB ILE A 21 -1.873 -2.313 -9.777 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.693 -1.358 -9.969 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.775 -1.829 -8.651 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.084 -0.030 -10.578 1.00 0.00 C ATOM 0 H ILE A 21 -0.540 -3.694 -11.408 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.790 -3.727 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.454 -2.333 -10.699 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.219 -1.180 -9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.051 -1.836 -10.606 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.125 -0.821 -8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.631 -2.498 -8.557 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.216 -1.822 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.198 0.596 -10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.531 -0.197 -11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.805 0.469 -9.930 1.00 0.00 H new ATOM 281 N LEU A 22 -2.533 -5.486 -8.274 1.00 0.00 N ATOM 282 CA LEU A 22 -3.617 -6.423 -8.002 1.00 0.00 C ATOM 283 C LEU A 22 -4.867 -5.688 -7.530 1.00 0.00 C ATOM 284 O LEU A 22 -5.838 -5.553 -8.274 1.00 0.00 O ATOM 285 CB LEU A 22 -3.183 -7.444 -6.948 1.00 0.00 C ATOM 286 CG LEU A 22 -2.484 -8.698 -7.476 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.742 -9.407 -6.354 1.00 0.00 C ATOM 288 CD2 LEU A 22 -3.491 -9.635 -8.128 1.00 0.00 C ATOM 0 H LEU A 22 -1.768 -5.520 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.854 -6.945 -8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.514 -6.948 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.064 -7.753 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.757 -8.396 -8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.251 -10.297 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.994 -8.736 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.449 -9.697 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.976 -10.522 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.241 -9.930 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.978 -9.125 -8.959 1.00 0.00 H new ATOM 300 N ALA A 23 -4.834 -5.212 -6.290 1.00 0.00 N ATOM 301 CA ALA A 23 -5.963 -4.486 -5.720 1.00 0.00 C ATOM 302 C ALA A 23 -5.545 -3.092 -5.265 1.00 0.00 C ATOM 303 O ALA A 23 -4.714 -2.942 -4.369 1.00 0.00 O ATOM 304 CB ALA A 23 -6.559 -5.266 -4.558 1.00 0.00 C ATOM 0 H ALA A 23 -4.038 -5.316 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.721 -4.375 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.401 -4.713 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.903 -6.238 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.801 -5.407 -3.787 1.00 0.00 H new ATOM 310 N LYS A 24 -6.127 -2.072 -5.888 1.00 0.00 N ATOM 311 CA LYS A 24 -5.817 -0.689 -5.547 1.00 0.00 C ATOM 312 C LYS A 24 -7.011 -0.011 -4.883 1.00 0.00 C ATOM 313 O LYS A 24 -8.136 -0.090 -5.377 1.00 0.00 O ATOM 314 CB LYS A 24 -5.408 0.087 -6.801 1.00 0.00 C ATOM 315 CG LYS A 24 -6.428 0.009 -7.924 1.00 0.00 C ATOM 316 CD LYS A 24 -6.121 1.008 -9.027 1.00 0.00 C ATOM 317 CE LYS A 24 -7.339 1.266 -9.901 1.00 0.00 C ATOM 318 NZ LYS A 24 -7.258 2.583 -10.591 1.00 0.00 N ATOM 0 H LYS A 24 -6.816 -2.178 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.986 -0.692 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.251 1.133 -6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.454 -0.297 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.438 -0.999 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.424 0.200 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.783 1.946 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.303 0.632 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.428 0.472 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.240 1.232 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.207 2.869 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.882 3.296 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.628 2.505 -11.415 1.00 0.00 H new ATOM 332 N HIS A 25 -6.758 0.656 -3.762 1.00 0.00 N ATOM 333 CA HIS A 25 -7.813 1.350 -3.031 1.00 0.00 C ATOM 334 C HIS A 25 -7.243 2.518 -2.232 1.00 0.00 C ATOM 335 O HIS A 25 -6.550 2.319 -1.234 1.00 0.00 O ATOM 336 CB HIS A 25 -8.537 0.382 -2.096 1.00 0.00 C ATOM 337 CG HIS A 25 -9.513 1.052 -1.179 1.00 0.00 C ATOM 338 ND1 HIS A 25 -10.870 1.091 -1.422 1.00 0.00 N ATOM 339 CD2 HIS A 25 -9.323 1.709 -0.011 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.472 1.746 -0.445 1.00 0.00 C ATOM 341 NE2 HIS A 25 -10.555 2.131 0.424 1.00 0.00 N ATOM 0 H HIS A 25 -5.833 0.731 -3.340 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.525 1.743 -3.757 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.064 -0.362 -2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.799 -0.154 -1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.378 1.871 0.486 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.533 1.934 -0.370 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.733 2.657 1.280 1.00 0.00 H new ATOM 350 N ALA A 26 -7.538 3.735 -2.677 1.00 0.00 N ATOM 351 CA ALA A 26 -7.055 4.933 -2.003 1.00 0.00 C ATOM 352 C ALA A 26 -8.170 5.961 -1.845 1.00 0.00 C ATOM 353 O ALA A 26 -9.223 5.850 -2.474 1.00 0.00 O ATOM 354 CB ALA A 26 -5.885 5.534 -2.767 1.00 0.00 C ATOM 0 H ALA A 26 -8.110 3.917 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.716 4.647 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.535 6.428 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.075 4.807 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.206 5.798 -3.775 1.00 0.00 H new ATOM 360 N TRP A 27 -7.933 6.960 -1.003 1.00 0.00 N ATOM 361 CA TRP A 27 -8.919 8.007 -0.763 1.00 0.00 C ATOM 362 C TRP A 27 -9.035 8.933 -1.969 1.00 0.00 C ATOM 363 O TRP A 27 -8.092 9.071 -2.750 1.00 0.00 O ATOM 364 CB TRP A 27 -8.543 8.815 0.481 1.00 0.00 C ATOM 365 CG TRP A 27 -8.902 8.130 1.765 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.275 7.052 2.322 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.973 8.476 2.650 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.892 6.706 3.500 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.935 7.565 3.725 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.957 9.467 2.642 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.846 7.618 4.777 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.861 9.517 3.687 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.799 8.598 4.742 1.00 0.00 C ATOM 0 H TRP A 27 -7.067 7.067 -0.475 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.886 7.530 -0.600 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.471 9.009 0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.043 9.783 0.442 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.420 6.546 1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.618 5.935 4.108 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.011 10.182 1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.801 6.910 5.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.628 10.278 3.690 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.519 8.665 5.544 1.00 0.00 H new ATOM 384 N CYS A 28 -10.194 9.565 -2.115 1.00 0.00 N ATOM 385 CA CYS A 28 -10.432 10.477 -3.228 1.00 0.00 C ATOM 386 C CYS A 28 -9.752 11.820 -2.985 1.00 0.00 C ATOM 387 O CYS A 28 -9.907 12.423 -1.924 1.00 0.00 O ATOM 388 CB CYS A 28 -11.934 10.682 -3.433 1.00 0.00 C ATOM 389 SG CYS A 28 -12.781 11.411 -2.012 1.00 0.00 S ATOM 0 H CYS A 28 -10.983 9.463 -1.477 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.007 10.033 -4.128 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.087 11.323 -4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.393 9.720 -3.662 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.949 12.156 -1.346 1.00 0.00 H new ATOM 395 N GLY A 29 -8.995 12.283 -3.976 1.00 0.00 N ATOM 396 CA GLY A 29 -8.301 13.550 -3.849 1.00 0.00 C ATOM 397 C GLY A 29 -6.893 13.498 -4.408 1.00 0.00 C ATOM 398 O GLY A 29 -5.925 13.361 -3.661 1.00 0.00 O ATOM 0 H GLY A 29 -8.851 11.802 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.866 14.324 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.261 13.835 -2.798 1.00 0.00 H new ATOM 402 N GLY A 30 -6.777 13.606 -5.729 1.00 0.00 N ATOM 403 CA GLY A 30 -5.474 13.566 -6.365 1.00 0.00 C ATOM 404 C GLY A 30 -5.206 12.243 -7.056 1.00 0.00 C ATOM 405 O GLY A 30 -5.957 11.284 -6.886 1.00 0.00 O ATOM 0 H GLY A 30 -7.563 13.720 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.404 14.374 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.702 13.744 -5.616 1.00 0.00 H new ATOM 409 N ASN A 31 -4.133 12.193 -7.839 1.00 0.00 N ATOM 410 CA ASN A 31 -3.770 10.979 -8.561 1.00 0.00 C ATOM 411 C ASN A 31 -2.452 10.412 -8.042 1.00 0.00 C ATOM 412 O ASN A 31 -1.391 11.010 -8.225 1.00 0.00 O ATOM 413 CB ASN A 31 -3.660 11.265 -10.060 1.00 0.00 C ATOM 414 CG ASN A 31 -5.017 11.376 -10.728 1.00 0.00 C ATOM 415 OD1 ASN A 31 -5.991 10.766 -10.285 1.00 0.00 O ATOM 416 ND2 ASN A 31 -5.086 12.157 -11.800 1.00 0.00 N ATOM 0 H ASN A 31 -3.500 12.979 -7.990 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.554 10.240 -8.396 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.107 12.192 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.087 10.471 -10.538 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.972 12.271 -12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.253 12.643 -12.131 1.00 0.00 H new ATOM 423 N PHE A 32 -2.526 9.254 -7.394 1.00 0.00 N ATOM 424 CA PHE A 32 -1.339 8.606 -6.848 1.00 0.00 C ATOM 425 C PHE A 32 -0.923 7.418 -7.711 1.00 0.00 C ATOM 426 O PHE A 32 0.257 7.241 -8.016 1.00 0.00 O ATOM 427 CB PHE A 32 -1.600 8.142 -5.413 1.00 0.00 C ATOM 428 CG PHE A 32 -1.388 9.219 -4.388 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.254 10.015 -4.423 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.323 9.436 -3.388 1.00 0.00 C ATOM 431 CE1 PHE A 32 -0.056 11.005 -3.480 1.00 0.00 C ATOM 432 CE2 PHE A 32 -2.131 10.426 -2.443 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.996 11.212 -2.490 1.00 0.00 C ATOM 0 H PHE A 32 -3.395 8.745 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.527 9.333 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.624 7.777 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.944 7.301 -5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.484 9.860 -5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.212 8.824 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.833 11.617 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.867 10.585 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.844 11.987 -1.754 1.00 0.00 H new ATOM 443 N LEU A 33 -1.900 6.606 -8.100 1.00 0.00 N ATOM 444 CA LEU A 33 -1.637 5.434 -8.927 1.00 0.00 C ATOM 445 C LEU A 33 -0.547 5.726 -9.954 1.00 0.00 C ATOM 446 O LEU A 33 0.183 4.827 -10.369 1.00 0.00 O ATOM 447 CB LEU A 33 -2.917 4.989 -9.637 1.00 0.00 C ATOM 448 CG LEU A 33 -2.904 3.575 -10.220 1.00 0.00 C ATOM 449 CD1 LEU A 33 -3.014 2.540 -9.112 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.031 3.404 -11.228 1.00 0.00 C ATOM 0 H LEU A 33 -2.882 6.738 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.292 4.630 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.744 5.062 -8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.124 5.691 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.956 3.424 -10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.003 1.540 -9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.172 2.648 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.946 2.689 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.007 2.392 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.988 3.575 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.906 4.122 -12.039 1.00 0.00 H new ATOM 462 N GLU A 34 -0.444 6.988 -10.357 1.00 0.00 N ATOM 463 CA GLU A 34 0.558 7.398 -11.334 1.00 0.00 C ATOM 464 C GLU A 34 1.967 7.227 -10.773 1.00 0.00 C ATOM 465 O GLU A 34 2.730 6.375 -11.228 1.00 0.00 O ATOM 466 CB GLU A 34 0.335 8.854 -11.747 1.00 0.00 C ATOM 467 CG GLU A 34 -0.764 9.031 -12.782 1.00 0.00 C ATOM 468 CD GLU A 34 -1.359 10.426 -12.768 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.614 11.386 -12.484 1.00 0.00 O ATOM 470 OE2 GLU A 34 -2.570 10.556 -13.042 1.00 0.00 O ATOM 0 H GLU A 34 -1.042 7.744 -10.023 1.00 0.00 H new ATOM 0 HA GLU A 34 0.455 6.760 -12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.087 9.440 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.266 9.257 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.362 8.822 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.553 8.302 -12.597 1.00 0.00 H new ATOM 477 N VAL A 35 2.306 8.045 -9.781 1.00 0.00 N ATOM 478 CA VAL A 35 3.622 7.986 -9.156 1.00 0.00 C ATOM 479 C VAL A 35 3.911 6.590 -8.617 1.00 0.00 C ATOM 480 O VAL A 35 5.014 6.066 -8.778 1.00 0.00 O ATOM 481 CB VAL A 35 3.744 9.004 -8.007 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.850 8.606 -6.843 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.192 9.129 -7.559 1.00 0.00 C ATOM 0 H VAL A 35 1.687 8.757 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 35 4.351 8.233 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 35 3.414 9.977 -8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.950 9.337 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.813 8.572 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.146 7.623 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.260 9.852 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.551 8.160 -7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.804 9.465 -8.396 1.00 0.00 H new ATOM 493 N THR A 36 2.913 5.990 -7.975 1.00 0.00 N ATOM 494 CA THR A 36 3.060 4.655 -7.411 1.00 0.00 C ATOM 495 C THR A 36 3.551 3.665 -8.461 1.00 0.00 C ATOM 496 O THR A 36 4.556 2.984 -8.263 1.00 0.00 O ATOM 497 CB THR A 36 1.732 4.144 -6.822 1.00 0.00 C ATOM 498 OG1 THR A 36 1.242 5.068 -5.844 1.00 0.00 O ATOM 499 CG2 THR A 36 1.912 2.774 -6.187 1.00 0.00 C ATOM 0 H THR A 36 1.994 6.409 -7.833 1.00 0.00 H new ATOM 0 HA THR A 36 3.798 4.730 -6.612 1.00 0.00 H new ATOM 0 HB THR A 36 1.010 4.058 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.450 4.691 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.960 2.435 -5.778 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.256 2.066 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.649 2.838 -5.386 1.00 0.00 H new ATOM 507 N GLU A 37 2.835 3.592 -9.579 1.00 0.00 N ATOM 508 CA GLU A 37 3.200 2.684 -10.661 1.00 0.00 C ATOM 509 C GLU A 37 4.640 2.919 -11.106 1.00 0.00 C ATOM 510 O GLU A 37 5.428 1.980 -11.212 1.00 0.00 O ATOM 511 CB GLU A 37 2.251 2.863 -11.848 1.00 0.00 C ATOM 512 CG GLU A 37 0.937 2.117 -11.695 1.00 0.00 C ATOM 513 CD GLU A 37 0.250 1.867 -13.024 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.222 2.843 -13.642 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.185 0.693 -13.445 1.00 0.00 O ATOM 0 H GLU A 37 2.000 4.150 -9.759 1.00 0.00 H new ATOM 0 HA GLU A 37 3.116 1.663 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.043 3.925 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.749 2.522 -12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.120 1.163 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.272 2.689 -11.048 1.00 0.00 H new ATOM 522 N GLN A 38 4.975 4.179 -11.365 1.00 0.00 N ATOM 523 CA GLN A 38 6.320 4.537 -11.800 1.00 0.00 C ATOM 524 C GLN A 38 7.369 3.972 -10.848 1.00 0.00 C ATOM 525 O GLN A 38 8.425 3.507 -11.278 1.00 0.00 O ATOM 526 CB GLN A 38 6.462 6.057 -11.890 1.00 0.00 C ATOM 527 CG GLN A 38 5.545 6.694 -12.922 1.00 0.00 C ATOM 528 CD GLN A 38 6.025 6.474 -14.343 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.827 7.249 -14.867 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.535 5.415 -14.977 1.00 0.00 N ATOM 0 H GLN A 38 4.334 4.968 -11.281 1.00 0.00 H new ATOM 0 HA GLN A 38 6.482 4.105 -12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.252 6.492 -10.913 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.496 6.303 -12.133 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.541 6.283 -12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.474 7.764 -12.728 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.873 4.799 -14.505 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.821 5.217 -15.936 1.00 0.00 H new ATOM 539 N ILE A 39 7.071 4.016 -9.554 1.00 0.00 N ATOM 540 CA ILE A 39 7.988 3.507 -8.542 1.00 0.00 C ATOM 541 C ILE A 39 8.064 1.985 -8.584 1.00 0.00 C ATOM 542 O ILE A 39 9.144 1.403 -8.473 1.00 0.00 O ATOM 543 CB ILE A 39 7.568 3.951 -7.128 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.598 5.476 -7.018 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.477 3.320 -6.083 1.00 0.00 C ATOM 546 CD1 ILE A 39 8.987 6.063 -7.134 1.00 0.00 C ATOM 0 H ILE A 39 6.202 4.399 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 39 8.970 3.923 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 39 6.548 3.613 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.966 5.901 -7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.166 5.772 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.168 3.643 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.409 2.234 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.507 3.630 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.932 7.148 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.617 5.667 -6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.414 5.798 -8.101 1.00 0.00 H new ATOM 558 N LEU A 40 6.911 1.345 -8.745 1.00 0.00 N ATOM 559 CA LEU A 40 6.847 -0.111 -8.804 1.00 0.00 C ATOM 560 C LEU A 40 7.836 -0.659 -9.827 1.00 0.00 C ATOM 561 O LEU A 40 8.625 -1.554 -9.525 1.00 0.00 O ATOM 562 CB LEU A 40 5.428 -0.565 -9.155 1.00 0.00 C ATOM 563 CG LEU A 40 4.359 -0.306 -8.094 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.992 -0.743 -8.596 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.708 -1.025 -6.799 1.00 0.00 C ATOM 0 H LEU A 40 6.008 1.811 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 40 7.115 -0.502 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.126 -0.066 -10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.452 -1.634 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 40 4.325 0.765 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.244 -0.551 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.739 -0.183 -9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.012 -1.809 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.936 -0.829 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.771 -2.097 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.668 -0.664 -6.430 1.00 0.00 H new ATOM 577 N ALA A 41 7.789 -0.115 -11.039 1.00 0.00 N ATOM 578 CA ALA A 41 8.684 -0.547 -12.105 1.00 0.00 C ATOM 579 C ALA A 41 10.141 -0.478 -11.661 1.00 0.00 C ATOM 580 O ALA A 41 11.024 -1.050 -12.301 1.00 0.00 O ATOM 581 CB ALA A 41 8.469 0.302 -13.350 1.00 0.00 C ATOM 0 H ALA A 41 7.141 0.626 -11.307 1.00 0.00 H new ATOM 0 HA ALA A 41 8.453 -1.586 -12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.144 -0.031 -14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.438 0.199 -13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.671 1.347 -13.117 1.00 0.00 H new ATOM 587 N LYS A 42 10.387 0.225 -10.561 1.00 0.00 N ATOM 588 CA LYS A 42 11.737 0.369 -10.029 1.00 0.00 C ATOM 589 C LYS A 42 11.930 -0.503 -8.793 1.00 0.00 C ATOM 590 O LYS A 42 13.042 -0.943 -8.500 1.00 0.00 O ATOM 591 CB LYS A 42 12.018 1.833 -9.684 1.00 0.00 C ATOM 592 CG LYS A 42 12.322 2.696 -10.896 1.00 0.00 C ATOM 593 CD LYS A 42 12.131 4.173 -10.591 1.00 0.00 C ATOM 594 CE LYS A 42 13.407 4.800 -10.051 1.00 0.00 C ATOM 595 NZ LYS A 42 14.480 4.851 -11.083 1.00 0.00 N ATOM 0 H LYS A 42 9.668 0.705 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 42 12.440 0.042 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.155 2.246 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.861 1.880 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.347 2.520 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.672 2.407 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.822 4.696 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.328 4.295 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.195 5.809 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.757 4.228 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.162 5.597 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.969 3.934 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.059 5.058 -12.011 1.00 0.00 H new ATOM 609 N ILE A 43 10.841 -0.749 -8.072 1.00 0.00 N ATOM 610 CA ILE A 43 10.891 -1.570 -6.869 1.00 0.00 C ATOM 611 C ILE A 43 11.242 -3.015 -7.204 1.00 0.00 C ATOM 612 O ILE A 43 10.590 -3.665 -8.022 1.00 0.00 O ATOM 613 CB ILE A 43 9.551 -1.541 -6.111 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.264 -0.131 -5.591 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.569 -2.540 -4.964 1.00 0.00 C ATOM 616 CD1 ILE A 43 7.951 -0.016 -4.849 1.00 0.00 C ATOM 0 H ILE A 43 9.913 -0.391 -8.300 1.00 0.00 H new ATOM 0 HA ILE A 43 11.668 -1.148 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 43 8.755 -1.823 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.074 0.175 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.259 0.563 -6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.615 -2.507 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.732 -3.543 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.373 -2.286 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.814 1.011 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.132 -0.291 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.960 -0.685 -3.988 1.00 0.00 H new ATOM 628 N PRO A 44 12.296 -3.534 -6.556 1.00 0.00 N ATOM 629 CA PRO A 44 12.756 -4.910 -6.767 1.00 0.00 C ATOM 630 C PRO A 44 11.780 -5.940 -6.207 1.00 0.00 C ATOM 631 O PRO A 44 10.936 -5.619 -5.371 1.00 0.00 O ATOM 632 CB PRO A 44 14.083 -4.961 -6.006 1.00 0.00 C ATOM 633 CG PRO A 44 13.961 -3.906 -4.961 1.00 0.00 C ATOM 634 CD PRO A 44 13.119 -2.818 -5.568 1.00 0.00 C ATOM 0 HA PRO A 44 12.847 -5.152 -7.826 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.247 -5.942 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.927 -4.767 -6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.495 -4.302 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.941 -3.526 -4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.504 -2.320 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.733 -2.050 -6.038 1.00 0.00 H new ATOM 642 N SER A 45 11.903 -7.179 -6.673 1.00 0.00 N ATOM 643 CA SER A 45 11.029 -8.255 -6.221 1.00 0.00 C ATOM 644 C SER A 45 11.786 -9.226 -5.320 1.00 0.00 C ATOM 645 O SER A 45 11.561 -10.435 -5.367 1.00 0.00 O ATOM 646 CB SER A 45 10.445 -9.004 -7.420 1.00 0.00 C ATOM 647 OG SER A 45 9.780 -8.115 -8.302 1.00 0.00 O ATOM 0 H SER A 45 12.599 -7.462 -7.363 1.00 0.00 H new ATOM 0 HA SER A 45 10.215 -7.812 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.243 -9.521 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.747 -9.766 -7.072 1.00 0.00 H new ATOM 0 HG SER A 45 9.417 -8.618 -9.061 1.00 0.00 H new ATOM 653 N GLU A 46 12.684 -8.687 -4.501 1.00 0.00 N ATOM 654 CA GLU A 46 13.474 -9.506 -3.590 1.00 0.00 C ATOM 655 C GLU A 46 13.034 -9.293 -2.145 1.00 0.00 C ATOM 656 O GLU A 46 12.563 -8.216 -1.781 1.00 0.00 O ATOM 657 CB GLU A 46 14.962 -9.178 -3.735 1.00 0.00 C ATOM 658 CG GLU A 46 15.635 -9.902 -4.889 1.00 0.00 C ATOM 659 CD GLU A 46 15.734 -11.398 -4.662 1.00 0.00 C ATOM 660 OE1 GLU A 46 16.222 -11.804 -3.587 1.00 0.00 O ATOM 661 OE2 GLU A 46 15.323 -12.162 -5.560 1.00 0.00 O ATOM 0 H GLU A 46 12.882 -7.688 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 46 13.312 -10.552 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.077 -8.103 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.474 -9.435 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.077 -9.714 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.635 -9.494 -5.035 1.00 0.00 H new ATOM 668 N ASN A 47 13.190 -10.328 -1.326 1.00 0.00 N ATOM 669 CA ASN A 47 12.807 -10.255 0.080 1.00 0.00 C ATOM 670 C ASN A 47 13.577 -9.150 0.796 1.00 0.00 C ATOM 671 O ASN A 47 14.562 -9.412 1.485 1.00 0.00 O ATOM 672 CB ASN A 47 13.059 -11.597 0.769 1.00 0.00 C ATOM 673 CG ASN A 47 12.091 -12.672 0.313 1.00 0.00 C ATOM 674 OD1 ASN A 47 11.010 -12.374 -0.196 1.00 0.00 O ATOM 675 ND2 ASN A 47 12.476 -13.930 0.494 1.00 0.00 N ATOM 0 H ASN A 47 13.579 -11.227 -1.611 1.00 0.00 H new ATOM 0 HA ASN A 47 11.743 -10.023 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.080 -11.921 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.974 -11.470 1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.867 -14.696 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.381 -14.130 0.920 1.00 0.00 H new ATOM 682 N ASN A 48 13.120 -7.913 0.629 1.00 0.00 N ATOM 683 CA ASN A 48 13.766 -6.768 1.260 1.00 0.00 C ATOM 684 C ASN A 48 12.954 -5.495 1.038 1.00 0.00 C ATOM 685 O ASN A 48 12.370 -5.296 -0.027 1.00 0.00 O ATOM 686 CB ASN A 48 15.181 -6.586 0.708 1.00 0.00 C ATOM 687 CG ASN A 48 15.184 -6.142 -0.742 1.00 0.00 C ATOM 688 OD1 ASN A 48 15.329 -6.958 -1.652 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.023 -4.843 -0.964 1.00 0.00 N ATOM 0 H ASN A 48 12.305 -7.678 0.062 1.00 0.00 H new ATOM 0 HA ASN A 48 13.823 -6.960 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.711 -5.850 1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.727 -7.525 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.016 -4.486 -1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.906 -4.202 -0.179 1.00 0.00 H new ATOM 696 N LYS A 49 12.923 -4.636 2.051 1.00 0.00 N ATOM 697 CA LYS A 49 12.185 -3.381 1.968 1.00 0.00 C ATOM 698 C LYS A 49 13.135 -2.188 2.008 1.00 0.00 C ATOM 699 O LYS A 49 14.234 -2.274 2.557 1.00 0.00 O ATOM 700 CB LYS A 49 11.176 -3.282 3.114 1.00 0.00 C ATOM 701 CG LYS A 49 11.768 -3.601 4.475 1.00 0.00 C ATOM 702 CD LYS A 49 11.651 -5.081 4.801 1.00 0.00 C ATOM 703 CE LYS A 49 12.334 -5.418 6.118 1.00 0.00 C ATOM 704 NZ LYS A 49 12.698 -6.859 6.201 1.00 0.00 N ATOM 0 H LYS A 49 13.401 -4.786 2.940 1.00 0.00 H new ATOM 0 HA LYS A 49 11.650 -3.365 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.761 -2.274 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.349 -3.964 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.817 -3.305 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.257 -3.017 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.599 -5.361 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.097 -5.668 3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.232 -4.810 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.673 -5.162 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.161 -7.048 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.839 -7.439 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.349 -7.098 5.426 1.00 0.00 H new ATOM 718 N LEU A 50 12.704 -1.075 1.425 1.00 0.00 N ATOM 719 CA LEU A 50 13.515 0.137 1.396 1.00 0.00 C ATOM 720 C LEU A 50 12.641 1.381 1.521 1.00 0.00 C ATOM 721 O LEU A 50 11.547 1.444 0.960 1.00 0.00 O ATOM 722 CB LEU A 50 14.328 0.200 0.101 1.00 0.00 C ATOM 723 CG LEU A 50 14.889 1.572 -0.274 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.144 1.422 -1.119 1.00 0.00 C ATOM 725 CD2 LEU A 50 13.842 2.393 -1.012 1.00 0.00 C ATOM 0 H LEU A 50 11.797 -0.987 0.966 1.00 0.00 H new ATOM 0 HA LEU A 50 14.197 0.108 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.159 -0.500 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.698 -0.148 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 50 15.154 2.098 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.529 2.409 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.899 0.873 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.905 0.876 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.259 3.366 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.546 1.871 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.970 2.530 -0.372 1.00 0.00 H new ATOM 737 N THR A 51 13.132 2.371 2.260 1.00 0.00 N ATOM 738 CA THR A 51 12.397 3.614 2.459 1.00 0.00 C ATOM 739 C THR A 51 12.646 4.589 1.314 1.00 0.00 C ATOM 740 O THR A 51 13.770 5.048 1.110 1.00 0.00 O ATOM 741 CB THR A 51 12.785 4.290 3.787 1.00 0.00 C ATOM 742 OG1 THR A 51 12.597 3.378 4.875 1.00 0.00 O ATOM 743 CG2 THR A 51 11.954 5.542 4.020 1.00 0.00 C ATOM 0 H THR A 51 14.036 2.336 2.731 1.00 0.00 H new ATOM 0 HA THR A 51 11.339 3.354 2.488 1.00 0.00 H new ATOM 0 HB THR A 51 13.835 4.575 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.848 3.815 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.246 6.002 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.122 6.247 3.206 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.898 5.276 4.058 1.00 0.00 H new ATOM 751 N TYR A 52 11.591 4.902 0.570 1.00 0.00 N ATOM 752 CA TYR A 52 11.696 5.822 -0.557 1.00 0.00 C ATOM 753 C TYR A 52 11.044 7.162 -0.228 1.00 0.00 C ATOM 754 O TYR A 52 9.850 7.229 0.061 1.00 0.00 O ATOM 755 CB TYR A 52 11.042 5.215 -1.800 1.00 0.00 C ATOM 756 CG TYR A 52 11.644 5.703 -3.099 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.692 7.059 -3.399 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.163 4.808 -4.026 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.239 7.509 -4.584 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.714 5.249 -5.213 1.00 0.00 C ATOM 761 CZ TYR A 52 12.749 6.601 -5.488 1.00 0.00 C ATOM 762 OH TYR A 52 13.296 7.044 -6.671 1.00 0.00 O ATOM 0 H TYR A 52 10.653 4.532 0.727 1.00 0.00 H new ATOM 0 HA TYR A 52 12.754 5.993 -0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.130 4.130 -1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.978 5.449 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.295 7.773 -2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.135 3.749 -3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.267 8.566 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.115 4.540 -5.922 1.00 0.00 H new ATOM 0 HH TYR A 52 13.610 6.277 -7.194 1.00 0.00 H new ATOM 772 N SER A 53 11.839 8.226 -0.276 1.00 0.00 N ATOM 773 CA SER A 53 11.342 9.565 0.019 1.00 0.00 C ATOM 774 C SER A 53 11.011 10.317 -1.267 1.00 0.00 C ATOM 775 O SER A 53 11.903 10.694 -2.027 1.00 0.00 O ATOM 776 CB SER A 53 12.377 10.348 0.829 1.00 0.00 C ATOM 777 OG SER A 53 13.568 10.541 0.085 1.00 0.00 O ATOM 0 H SER A 53 12.830 8.187 -0.516 1.00 0.00 H new ATOM 0 HA SER A 53 10.429 9.466 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.963 11.315 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.603 9.812 1.751 1.00 0.00 H new ATOM 0 HG SER A 53 13.343 10.713 -0.853 1.00 0.00 H new ATOM 783 N HIS A 54 9.720 10.531 -1.503 1.00 0.00 N ATOM 784 CA HIS A 54 9.269 11.238 -2.696 1.00 0.00 C ATOM 785 C HIS A 54 8.529 12.519 -2.321 1.00 0.00 C ATOM 786 O HIS A 54 7.671 12.516 -1.439 1.00 0.00 O ATOM 787 CB HIS A 54 8.361 10.338 -3.535 1.00 0.00 C ATOM 788 CG HIS A 54 8.371 10.672 -4.995 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.932 11.880 -5.494 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.774 9.948 -6.066 1.00 0.00 C ATOM 791 CE1 HIS A 54 8.061 11.884 -6.809 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.570 10.724 -7.181 1.00 0.00 N ATOM 0 H HIS A 54 8.969 10.225 -0.884 1.00 0.00 H new ATOM 0 HA HIS A 54 10.147 11.505 -3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.671 9.301 -3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.340 10.415 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.180 8.947 -6.047 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.795 12.698 -7.467 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.778 10.449 -8.141 1.00 0.00 H new ATOM 801 N GLY A 55 8.868 13.613 -2.997 1.00 0.00 N ATOM 802 CA GLY A 55 8.228 14.885 -2.719 1.00 0.00 C ATOM 803 C GLY A 55 7.954 15.086 -1.242 1.00 0.00 C ATOM 804 O GLY A 55 8.821 14.841 -0.404 1.00 0.00 O ATOM 0 H GLY A 55 9.575 13.641 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.862 15.694 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.290 14.944 -3.271 1.00 0.00 H new ATOM 808 N ASN A 56 6.745 15.536 -0.922 1.00 0.00 N ATOM 809 CA ASN A 56 6.360 15.773 0.465 1.00 0.00 C ATOM 810 C ASN A 56 5.561 14.596 1.016 1.00 0.00 C ATOM 811 O ASN A 56 4.589 14.780 1.748 1.00 0.00 O ATOM 812 CB ASN A 56 5.538 17.058 0.576 1.00 0.00 C ATOM 813 CG ASN A 56 6.281 18.268 0.043 1.00 0.00 C ATOM 814 OD1 ASN A 56 7.333 18.138 -0.583 1.00 0.00 O ATOM 815 ND2 ASN A 56 5.736 19.453 0.291 1.00 0.00 N ATOM 0 H ASN A 56 6.015 15.744 -1.604 1.00 0.00 H new ATOM 0 HA ASN A 56 7.270 15.880 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.604 16.937 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.274 17.228 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.191 20.303 -0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.862 19.513 0.814 1.00 0.00 H new ATOM 822 N TYR A 57 5.979 13.386 0.660 1.00 0.00 N ATOM 823 CA TYR A 57 5.302 12.178 1.118 1.00 0.00 C ATOM 824 C TYR A 57 6.275 11.006 1.200 1.00 0.00 C ATOM 825 O TYR A 57 7.224 10.916 0.420 1.00 0.00 O ATOM 826 CB TYR A 57 4.145 11.831 0.180 1.00 0.00 C ATOM 827 CG TYR A 57 2.971 12.776 0.290 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.966 13.992 -0.383 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.866 12.455 1.069 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.896 14.860 -0.285 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.790 13.316 1.172 1.00 0.00 C ATOM 832 CZ TYR A 57 0.810 14.517 0.494 1.00 0.00 C ATOM 833 OH TYR A 57 -0.259 15.378 0.595 1.00 0.00 O ATOM 0 H TYR A 57 6.783 13.216 0.056 1.00 0.00 H new ATOM 0 HA TYR A 57 4.907 12.369 2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.508 11.835 -0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.806 10.818 0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.814 14.263 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.848 11.517 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.909 15.801 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.062 13.050 1.780 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.940 14.986 1.180 1.00 0.00 H new ATOM 843 N LEU A 58 6.032 10.109 2.149 1.00 0.00 N ATOM 844 CA LEU A 58 6.885 8.941 2.334 1.00 0.00 C ATOM 845 C LEU A 58 6.330 7.736 1.580 1.00 0.00 C ATOM 846 O LEU A 58 5.139 7.435 1.660 1.00 0.00 O ATOM 847 CB LEU A 58 7.014 8.610 3.822 1.00 0.00 C ATOM 848 CG LEU A 58 7.498 9.747 4.723 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.187 9.442 6.180 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.989 9.982 4.532 1.00 0.00 C ATOM 0 H LEU A 58 5.251 10.168 2.802 1.00 0.00 H new ATOM 0 HA LEU A 58 7.871 9.175 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.042 8.274 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.701 7.771 3.929 1.00 0.00 H new ATOM 0 HG LEU A 58 6.969 10.658 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.539 10.262 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.111 9.325 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.689 8.520 6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.315 10.795 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.536 9.074 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.185 10.246 3.493 1.00 0.00 H new ATOM 862 N PHE A 59 7.202 7.049 0.850 1.00 0.00 N ATOM 863 CA PHE A 59 6.800 5.877 0.082 1.00 0.00 C ATOM 864 C PHE A 59 7.494 4.621 0.603 1.00 0.00 C ATOM 865 O PHE A 59 8.631 4.328 0.233 1.00 0.00 O ATOM 866 CB PHE A 59 7.125 6.075 -1.400 1.00 0.00 C ATOM 867 CG PHE A 59 6.173 6.999 -2.104 1.00 0.00 C ATOM 868 CD1 PHE A 59 5.957 8.284 -1.632 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.494 6.583 -3.238 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.081 9.136 -2.278 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.616 7.431 -3.888 1.00 0.00 C ATOM 872 CZ PHE A 59 4.411 8.709 -3.407 1.00 0.00 C ATOM 0 H PHE A 59 8.192 7.284 0.774 1.00 0.00 H new ATOM 0 HA PHE A 59 5.723 5.751 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.137 6.470 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.114 5.106 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.479 8.623 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.652 5.585 -3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.921 10.135 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.092 7.094 -4.770 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.727 9.374 -3.914 1.00 0.00 H new ATOM 882 N HIS A 60 6.801 3.884 1.465 1.00 0.00 N ATOM 883 CA HIS A 60 7.349 2.659 2.037 1.00 0.00 C ATOM 884 C HIS A 60 6.790 1.430 1.328 1.00 0.00 C ATOM 885 O HIS A 60 5.575 1.267 1.212 1.00 0.00 O ATOM 886 CB HIS A 60 7.037 2.586 3.532 1.00 0.00 C ATOM 887 CG HIS A 60 7.220 3.890 4.247 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.446 4.340 4.690 1.00 0.00 N ATOM 889 CD2 HIS A 60 6.323 4.843 4.593 1.00 0.00 C ATOM 890 CE1 HIS A 60 8.295 5.512 5.280 1.00 0.00 C ATOM 891 NE2 HIS A 60 7.016 5.841 5.233 1.00 0.00 N ATOM 0 H HIS A 60 5.859 4.113 1.783 1.00 0.00 H new ATOM 0 HA HIS A 60 8.430 2.675 1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.009 2.250 3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.679 1.835 3.993 1.00 0.00 H new ATOM 0 HD1 HIS A 60 9.331 3.845 4.579 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.260 4.822 4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.083 6.101 5.725 1.00 0.00 H new ATOM 900 N TYR A 61 7.684 0.568 0.856 1.00 0.00 N ATOM 901 CA TYR A 61 7.280 -0.645 0.155 1.00 0.00 C ATOM 902 C TYR A 61 7.848 -1.884 0.839 1.00 0.00 C ATOM 903 O TYR A 61 9.013 -1.907 1.240 1.00 0.00 O ATOM 904 CB TYR A 61 7.743 -0.596 -1.302 1.00 0.00 C ATOM 905 CG TYR A 61 9.137 -1.140 -1.513 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.415 -2.488 -1.326 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.178 -0.304 -1.900 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.688 -2.989 -1.517 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.454 -0.797 -2.095 1.00 0.00 C ATOM 910 CZ TYR A 61 11.704 -2.139 -1.902 1.00 0.00 C ATOM 911 OH TYR A 61 12.973 -2.635 -2.095 1.00 0.00 O ATOM 0 H TYR A 61 8.693 0.687 0.946 1.00 0.00 H new ATOM 0 HA TYR A 61 6.192 -0.704 0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.044 -1.164 -1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.708 0.436 -1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.622 -3.156 -1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.986 0.748 -2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.887 -4.040 -1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.252 -0.134 -2.397 1.00 0.00 H new ATOM 0 HH TYR A 61 13.571 -1.907 -2.365 1.00 0.00 H new ATOM 921 N ILE A 62 7.018 -2.914 0.969 1.00 0.00 N ATOM 922 CA ILE A 62 7.438 -4.158 1.603 1.00 0.00 C ATOM 923 C ILE A 62 7.314 -5.334 0.641 1.00 0.00 C ATOM 924 O ILE A 62 6.225 -5.636 0.151 1.00 0.00 O ATOM 925 CB ILE A 62 6.609 -4.453 2.867 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.787 -3.333 3.893 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.011 -5.794 3.463 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.848 -3.441 5.075 1.00 0.00 C ATOM 0 H ILE A 62 6.051 -2.912 0.644 1.00 0.00 H new ATOM 0 HA ILE A 62 8.483 -4.032 1.885 1.00 0.00 H new ATOM 0 HB ILE A 62 5.556 -4.502 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.815 -3.342 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.630 -2.373 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.416 -5.988 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.837 -6.584 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.068 -5.772 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.031 -2.614 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.816 -3.401 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.020 -4.386 5.591 1.00 0.00 H new ATOM 940 N CYS A 63 8.435 -5.995 0.376 1.00 0.00 N ATOM 941 CA CYS A 63 8.452 -7.140 -0.528 1.00 0.00 C ATOM 942 C CYS A 63 8.208 -8.438 0.235 1.00 0.00 C ATOM 943 O CYS A 63 8.747 -8.640 1.323 1.00 0.00 O ATOM 944 CB CYS A 63 9.789 -7.212 -1.267 1.00 0.00 C ATOM 945 SG CYS A 63 9.807 -8.381 -2.647 1.00 0.00 S ATOM 0 H CYS A 63 9.344 -5.758 0.774 1.00 0.00 H new ATOM 0 HA CYS A 63 7.650 -7.011 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.039 -6.219 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.569 -7.490 -0.559 1.00 0.00 H new ATOM 0 HG CYS A 63 10.184 -9.550 -2.221 1.00 0.00 H new ATOM 951 N GLN A 64 7.392 -9.313 -0.343 1.00 0.00 N ATOM 952 CA GLN A 64 7.075 -10.591 0.285 1.00 0.00 C ATOM 953 C GLN A 64 6.334 -11.505 -0.686 1.00 0.00 C ATOM 954 O GLN A 64 5.293 -11.135 -1.230 1.00 0.00 O ATOM 955 CB GLN A 64 6.232 -10.371 1.542 1.00 0.00 C ATOM 956 CG GLN A 64 6.191 -11.577 2.466 1.00 0.00 C ATOM 957 CD GLN A 64 5.342 -12.705 1.915 1.00 0.00 C ATOM 958 OE1 GLN A 64 4.263 -12.476 1.366 1.00 0.00 O ATOM 959 NE2 GLN A 64 5.824 -13.934 2.058 1.00 0.00 N ATOM 0 H GLN A 64 6.939 -9.161 -1.244 1.00 0.00 H new ATOM 0 HA GLN A 64 8.012 -11.072 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.629 -9.517 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.214 -10.115 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.206 -11.938 2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.799 -11.273 3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.722 -14.079 2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.296 -14.733 1.707 1.00 0.00 H new ATOM 968 N ASP A 65 6.876 -12.699 -0.897 1.00 0.00 N ATOM 969 CA ASP A 65 6.265 -13.666 -1.802 1.00 0.00 C ATOM 970 C ASP A 65 6.003 -13.042 -3.169 1.00 0.00 C ATOM 971 O ASP A 65 4.971 -13.296 -3.791 1.00 0.00 O ATOM 972 CB ASP A 65 4.958 -14.195 -1.210 1.00 0.00 C ATOM 973 CG ASP A 65 4.515 -15.494 -1.853 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.929 -16.568 -1.368 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.754 -15.438 -2.842 1.00 0.00 O ATOM 0 H ASP A 65 7.737 -13.021 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 65 6.960 -14.496 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.084 -14.348 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.176 -13.446 -1.335 1.00 0.00 H new ATOM 980 N ARG A 66 6.944 -12.225 -3.630 1.00 0.00 N ATOM 981 CA ARG A 66 6.814 -11.562 -4.923 1.00 0.00 C ATOM 982 C ARG A 66 5.663 -10.561 -4.907 1.00 0.00 C ATOM 983 O ARG A 66 5.075 -10.259 -5.946 1.00 0.00 O ATOM 984 CB ARG A 66 6.590 -12.595 -6.029 1.00 0.00 C ATOM 985 CG ARG A 66 7.696 -13.633 -6.126 1.00 0.00 C ATOM 986 CD ARG A 66 8.918 -13.079 -6.842 1.00 0.00 C ATOM 987 NE ARG A 66 9.655 -14.120 -7.552 1.00 0.00 N ATOM 988 CZ ARG A 66 9.275 -14.622 -8.722 1.00 0.00 C ATOM 989 NH1 ARG A 66 8.172 -14.179 -9.310 1.00 0.00 N ATOM 990 NH2 ARG A 66 9.999 -15.568 -9.307 1.00 0.00 N ATOM 0 H ARG A 66 7.805 -12.006 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 66 7.740 -11.022 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.641 -13.102 -5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.503 -12.078 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.977 -13.962 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.328 -14.510 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.606 -12.310 -7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.576 -12.599 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 66 10.509 -14.482 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.613 -13.451 -8.864 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.882 -14.566 -10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.849 -15.911 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.706 -15.952 -10.205 1.00 0.00 H new ATOM 1004 N ILE A 67 5.347 -10.049 -3.722 1.00 0.00 N ATOM 1005 CA ILE A 67 4.267 -9.082 -3.572 1.00 0.00 C ATOM 1006 C ILE A 67 4.771 -7.790 -2.936 1.00 0.00 C ATOM 1007 O ILE A 67 5.347 -7.804 -1.848 1.00 0.00 O ATOM 1008 CB ILE A 67 3.119 -9.648 -2.715 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.852 -11.109 -3.083 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.861 -8.812 -2.897 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.370 -11.296 -4.505 1.00 0.00 C ATOM 0 H ILE A 67 5.824 -10.288 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 67 3.892 -8.870 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 67 3.412 -9.605 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.767 -11.684 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.108 -11.517 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.059 -9.224 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.059 -7.785 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.562 -8.827 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.201 -12.356 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.438 -10.749 -4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.123 -10.918 -5.197 1.00 0.00 H new ATOM 1023 N VAL A 68 4.549 -6.674 -3.622 1.00 0.00 N ATOM 1024 CA VAL A 68 4.977 -5.372 -3.124 1.00 0.00 C ATOM 1025 C VAL A 68 3.796 -4.576 -2.579 1.00 0.00 C ATOM 1026 O VAL A 68 2.716 -4.566 -3.170 1.00 0.00 O ATOM 1027 CB VAL A 68 5.672 -4.550 -4.226 1.00 0.00 C ATOM 1028 CG1 VAL A 68 5.929 -3.129 -3.750 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.968 -5.221 -4.653 1.00 0.00 C ATOM 0 H VAL A 68 4.075 -6.645 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 68 5.687 -5.559 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 68 5.012 -4.503 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.420 -2.563 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.981 -2.653 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.570 -3.151 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.446 -4.627 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.636 -5.300 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.752 -6.218 -5.038 1.00 0.00 H new ATOM 1039 N TYR A 69 4.010 -3.909 -1.450 1.00 0.00 N ATOM 1040 CA TYR A 69 2.962 -3.111 -0.824 1.00 0.00 C ATOM 1041 C TYR A 69 3.421 -1.670 -0.627 1.00 0.00 C ATOM 1042 O TYR A 69 4.109 -1.352 0.344 1.00 0.00 O ATOM 1043 CB TYR A 69 2.563 -3.721 0.521 1.00 0.00 C ATOM 1044 CG TYR A 69 2.077 -5.149 0.418 1.00 0.00 C ATOM 1045 CD1 TYR A 69 2.960 -6.185 0.139 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.736 -5.462 0.600 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.521 -7.491 0.044 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.288 -6.766 0.508 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.185 -7.777 0.229 1.00 0.00 C ATOM 1050 OH TYR A 69 0.742 -9.076 0.136 1.00 0.00 O ATOM 0 H TYR A 69 4.899 -3.905 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 69 2.096 -3.110 -1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.419 -3.685 1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.779 -3.111 0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.007 -5.965 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.031 -4.673 0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.221 -8.284 -0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.758 -6.993 0.654 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.034 -9.200 0.722 1.00 0.00 H new ATOM 1060 N LEU A 70 3.034 -0.801 -1.553 1.00 0.00 N ATOM 1061 CA LEU A 70 3.403 0.609 -1.483 1.00 0.00 C ATOM 1062 C LEU A 70 2.285 1.434 -0.854 1.00 0.00 C ATOM 1063 O LEU A 70 1.104 1.127 -1.022 1.00 0.00 O ATOM 1064 CB LEU A 70 3.724 1.143 -2.880 1.00 0.00 C ATOM 1065 CG LEU A 70 4.423 2.503 -2.934 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.260 2.622 -4.198 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.403 3.630 -2.859 1.00 0.00 C ATOM 0 H LEU A 70 2.464 -1.048 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 70 4.290 0.696 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.352 0.413 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.794 1.212 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 70 5.087 2.584 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.750 3.595 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.015 1.836 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.616 2.520 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.918 4.590 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.713 3.553 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.846 3.555 -1.925 1.00 0.00 H new ATOM 1079 N CYS A 71 2.664 2.483 -0.133 1.00 0.00 N ATOM 1080 CA CYS A 71 1.693 3.354 0.519 1.00 0.00 C ATOM 1081 C CYS A 71 2.220 4.782 0.612 1.00 0.00 C ATOM 1082 O CYS A 71 3.430 5.007 0.655 1.00 0.00 O ATOM 1083 CB CYS A 71 1.363 2.828 1.917 1.00 0.00 C ATOM 1084 SG CYS A 71 2.703 3.023 3.115 1.00 0.00 S ATOM 0 H CYS A 71 3.637 2.751 0.015 1.00 0.00 H new ATOM 0 HA CYS A 71 0.785 3.359 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.479 3.346 2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.106 1.771 1.844 1.00 0.00 H new ATOM 0 HG CYS A 71 3.544 3.915 2.684 1.00 0.00 H new ATOM 1090 N ILE A 72 1.304 5.745 0.640 1.00 0.00 N ATOM 1091 CA ILE A 72 1.677 7.151 0.727 1.00 0.00 C ATOM 1092 C ILE A 72 1.158 7.779 2.016 1.00 0.00 C ATOM 1093 O ILE A 72 -0.033 7.709 2.319 1.00 0.00 O ATOM 1094 CB ILE A 72 1.137 7.951 -0.473 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.700 7.392 -1.782 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.487 9.425 -0.327 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.794 7.615 -2.973 1.00 0.00 C ATOM 0 H ILE A 72 0.299 5.577 0.604 1.00 0.00 H new ATOM 0 HA ILE A 72 2.766 7.190 0.720 1.00 0.00 H new ATOM 0 HB ILE A 72 0.051 7.855 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.667 7.855 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.877 6.323 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.099 9.978 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.043 9.815 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.570 9.539 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.256 7.193 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.165 7.128 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.637 8.684 -3.116 1.00 0.00 H new ATOM 1109 N THR A 73 2.062 8.394 2.773 1.00 0.00 N ATOM 1110 CA THR A 73 1.696 9.035 4.030 1.00 0.00 C ATOM 1111 C THR A 73 2.296 10.433 4.129 1.00 0.00 C ATOM 1112 O THR A 73 3.100 10.835 3.288 1.00 0.00 O ATOM 1113 CB THR A 73 2.160 8.203 5.241 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.585 8.064 5.224 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.511 6.827 5.231 1.00 0.00 C ATOM 0 H THR A 73 3.052 8.462 2.537 1.00 0.00 H new ATOM 0 HA THR A 73 0.608 9.107 4.043 1.00 0.00 H new ATOM 0 HB THR A 73 1.858 8.724 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.858 7.409 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.853 6.257 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.427 6.936 5.274 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.787 6.301 4.317 1.00 0.00 H new ATOM 1123 N ASP A 74 1.902 11.169 5.162 1.00 0.00 N ATOM 1124 CA ASP A 74 2.403 12.523 5.372 1.00 0.00 C ATOM 1125 C ASP A 74 3.733 12.500 6.119 1.00 0.00 C ATOM 1126 O ASP A 74 3.985 11.610 6.932 1.00 0.00 O ATOM 1127 CB ASP A 74 1.381 13.352 6.151 1.00 0.00 C ATOM 1128 CG ASP A 74 0.148 13.673 5.328 1.00 0.00 C ATOM 1129 OD1 ASP A 74 0.288 13.874 4.104 1.00 0.00 O ATOM 1130 OD2 ASP A 74 -0.957 13.723 5.909 1.00 0.00 O ATOM 0 H ASP A 74 1.237 10.851 5.867 1.00 0.00 H new ATOM 0 HA ASP A 74 2.563 12.981 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.084 12.808 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.846 14.281 6.481 1.00 0.00 H new ATOM 1135 N ASP A 75 4.580 13.483 5.836 1.00 0.00 N ATOM 1136 CA ASP A 75 5.885 13.576 6.480 1.00 0.00 C ATOM 1137 C ASP A 75 5.763 13.375 7.988 1.00 0.00 C ATOM 1138 O ASP A 75 6.444 12.529 8.569 1.00 0.00 O ATOM 1139 CB ASP A 75 6.528 14.932 6.185 1.00 0.00 C ATOM 1140 CG ASP A 75 5.724 16.088 6.746 1.00 0.00 C ATOM 1141 OD1 ASP A 75 4.481 16.054 6.636 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.338 17.028 7.293 1.00 0.00 O ATOM 0 H ASP A 75 4.387 14.227 5.165 1.00 0.00 H new ATOM 0 HA ASP A 75 6.519 12.786 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.533 14.954 6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.632 15.055 5.107 1.00 0.00 H new ATOM 1147 N ASP A 76 4.891 14.157 8.615 1.00 0.00 N ATOM 1148 CA ASP A 76 4.679 14.066 10.055 1.00 0.00 C ATOM 1149 C ASP A 76 4.422 12.622 10.475 1.00 0.00 C ATOM 1150 O ASP A 76 4.962 12.150 11.476 1.00 0.00 O ATOM 1151 CB ASP A 76 3.504 14.949 10.476 1.00 0.00 C ATOM 1152 CG ASP A 76 3.712 16.404 10.104 1.00 0.00 C ATOM 1153 OD1 ASP A 76 3.316 16.794 8.985 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.269 17.154 10.933 1.00 0.00 O ATOM 0 H ASP A 76 4.319 14.861 8.148 1.00 0.00 H new ATOM 0 HA ASP A 76 5.583 14.416 10.554 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.591 14.583 10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.361 14.869 11.554 1.00 0.00 H new ATOM 1159 N PHE A 77 3.595 11.925 9.704 1.00 0.00 N ATOM 1160 CA PHE A 77 3.264 10.535 9.997 1.00 0.00 C ATOM 1161 C PHE A 77 4.513 9.750 10.389 1.00 0.00 C ATOM 1162 O PHE A 77 5.527 9.792 9.694 1.00 0.00 O ATOM 1163 CB PHE A 77 2.596 9.881 8.786 1.00 0.00 C ATOM 1164 CG PHE A 77 1.917 8.580 9.106 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.860 8.537 10.001 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.335 7.400 8.512 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.233 7.341 10.298 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.712 6.202 8.804 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.660 6.172 9.699 1.00 0.00 C ATOM 0 H PHE A 77 3.141 12.300 8.871 1.00 0.00 H new ATOM 0 HA PHE A 77 2.569 10.522 10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.863 10.571 8.369 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.347 9.710 8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.522 9.448 10.472 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.158 7.417 7.812 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.590 7.321 10.997 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.047 5.290 8.333 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.172 5.236 9.930 1.00 0.00 H new ATOM 1179 N GLU A 78 4.429 9.036 11.507 1.00 0.00 N ATOM 1180 CA GLU A 78 5.552 8.243 11.992 1.00 0.00 C ATOM 1181 C GLU A 78 5.803 7.042 11.084 1.00 0.00 C ATOM 1182 O GLU A 78 4.872 6.328 10.711 1.00 0.00 O ATOM 1183 CB GLU A 78 5.291 7.769 13.423 1.00 0.00 C ATOM 1184 CG GLU A 78 6.557 7.555 14.234 1.00 0.00 C ATOM 1185 CD GLU A 78 7.394 8.814 14.352 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.043 9.684 15.176 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.399 8.929 13.620 1.00 0.00 O ATOM 0 H GLU A 78 3.596 8.991 12.093 1.00 0.00 H new ATOM 0 HA GLU A 78 6.440 8.875 11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.664 8.502 13.931 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.728 6.836 13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.290 7.206 15.231 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.153 6.769 13.770 1.00 0.00 H new ATOM 1194 N ARG A 79 7.066 6.826 10.732 1.00 0.00 N ATOM 1195 CA ARG A 79 7.439 5.714 9.867 1.00 0.00 C ATOM 1196 C ARG A 79 6.870 4.400 10.395 1.00 0.00 C ATOM 1197 O ARG A 79 6.218 3.655 9.663 1.00 0.00 O ATOM 1198 CB ARG A 79 8.961 5.615 9.756 1.00 0.00 C ATOM 1199 CG ARG A 79 9.552 6.499 8.669 1.00 0.00 C ATOM 1200 CD ARG A 79 11.045 6.702 8.867 1.00 0.00 C ATOM 1201 NE ARG A 79 11.716 7.079 7.625 1.00 0.00 N ATOM 1202 CZ ARG A 79 12.985 7.465 7.563 1.00 0.00 C ATOM 1203 NH1 ARG A 79 13.718 7.524 8.666 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.524 7.791 6.395 1.00 0.00 N ATOM 0 H ARG A 79 7.849 7.407 11.033 1.00 0.00 H new ATOM 0 HA ARG A 79 7.021 5.900 8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.405 5.886 10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.236 4.579 9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.371 6.048 7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.049 7.466 8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.209 7.476 9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.487 5.784 9.254 1.00 0.00 H new ATOM 0 HE ARG A 79 11.180 7.044 6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.307 7.273 9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.693 7.821 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.963 7.745 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.499 8.087 6.348 1.00 0.00 H new ATOM 1218 N SER A 80 7.122 4.122 11.670 1.00 0.00 N ATOM 1219 CA SER A 80 6.639 2.896 12.295 1.00 0.00 C ATOM 1220 C SER A 80 5.175 2.650 11.948 1.00 0.00 C ATOM 1221 O SER A 80 4.798 1.550 11.542 1.00 0.00 O ATOM 1222 CB SER A 80 6.809 2.972 13.814 1.00 0.00 C ATOM 1223 OG SER A 80 8.141 3.306 14.162 1.00 0.00 O ATOM 0 H SER A 80 7.658 4.729 12.290 1.00 0.00 H new ATOM 0 HA SER A 80 7.230 2.064 11.911 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.126 3.716 14.223 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.542 2.014 14.261 1.00 0.00 H new ATOM 0 HG SER A 80 8.223 3.350 15.138 1.00 0.00 H new ATOM 1229 N ARG A 81 4.353 3.682 12.109 1.00 0.00 N ATOM 1230 CA ARG A 81 2.929 3.578 11.814 1.00 0.00 C ATOM 1231 C ARG A 81 2.703 2.991 10.423 1.00 0.00 C ATOM 1232 O ARG A 81 1.970 2.017 10.262 1.00 0.00 O ATOM 1233 CB ARG A 81 2.264 4.952 11.913 1.00 0.00 C ATOM 1234 CG ARG A 81 2.483 5.640 13.251 1.00 0.00 C ATOM 1235 CD ARG A 81 1.393 5.278 14.247 1.00 0.00 C ATOM 1236 NE ARG A 81 0.212 6.124 14.097 1.00 0.00 N ATOM 1237 CZ ARG A 81 -0.743 6.223 15.015 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.656 5.532 16.144 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -1.788 7.014 14.806 1.00 0.00 N ATOM 0 H ARG A 81 4.649 4.600 12.442 1.00 0.00 H new ATOM 0 HA ARG A 81 2.479 2.910 12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.649 5.591 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.193 4.841 11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.455 5.355 13.654 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.502 6.720 13.107 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.111 4.234 14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.782 5.374 15.261 1.00 0.00 H new ATOM 0 HE ARG A 81 0.115 6.669 13.240 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.145 4.923 16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.391 5.610 16.847 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.859 7.547 13.939 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.520 7.089 15.512 1.00 0.00 H new ATOM 1253 N ALA A 82 3.339 3.592 9.423 1.00 0.00 N ATOM 1254 CA ALA A 82 3.209 3.129 8.047 1.00 0.00 C ATOM 1255 C ALA A 82 3.515 1.639 7.939 1.00 0.00 C ATOM 1256 O ALA A 82 2.656 0.844 7.556 1.00 0.00 O ATOM 1257 CB ALA A 82 4.127 3.926 7.132 1.00 0.00 C ATOM 0 H ALA A 82 3.950 4.401 9.540 1.00 0.00 H new ATOM 0 HA ALA A 82 2.177 3.286 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.019 3.569 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.860 4.982 7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.161 3.799 7.453 1.00 0.00 H new ATOM 1263 N PHE A 83 4.745 1.266 8.277 1.00 0.00 N ATOM 1264 CA PHE A 83 5.165 -0.129 8.216 1.00 0.00 C ATOM 1265 C PHE A 83 4.183 -1.026 8.963 1.00 0.00 C ATOM 1266 O PHE A 83 3.855 -2.121 8.507 1.00 0.00 O ATOM 1267 CB PHE A 83 6.568 -0.287 8.806 1.00 0.00 C ATOM 1268 CG PHE A 83 7.661 0.181 7.888 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.869 -0.436 6.666 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.479 1.240 8.248 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.874 -0.007 5.820 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.486 1.674 7.406 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.683 1.050 6.190 1.00 0.00 C ATOM 0 H PHE A 83 5.468 1.911 8.596 1.00 0.00 H new ATOM 0 HA PHE A 83 5.182 -0.432 7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.625 0.271 9.740 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.734 -1.336 9.051 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.239 -1.262 6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.328 1.732 9.197 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.027 -0.498 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.118 2.500 7.699 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.468 1.388 5.529 1.00 0.00 H new ATOM 1283 N ASN A 84 3.717 -0.553 10.115 1.00 0.00 N ATOM 1284 CA ASN A 84 2.773 -1.313 10.927 1.00 0.00 C ATOM 1285 C ASN A 84 1.531 -1.678 10.119 1.00 0.00 C ATOM 1286 O ASN A 84 1.199 -2.854 9.968 1.00 0.00 O ATOM 1287 CB ASN A 84 2.371 -0.508 12.165 1.00 0.00 C ATOM 1288 CG ASN A 84 1.182 -1.112 12.886 1.00 0.00 C ATOM 1289 OD1 ASN A 84 0.051 -0.649 12.737 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.432 -2.153 13.672 1.00 0.00 N ATOM 0 H ASN A 84 3.977 0.352 10.507 1.00 0.00 H new ATOM 0 HA ASN A 84 3.263 -2.234 11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.218 -0.452 12.849 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.132 0.514 11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.671 -2.602 14.182 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.385 -2.504 13.766 1.00 0.00 H new ATOM 1297 N PHE A 85 0.849 -0.661 9.601 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.356 -0.875 8.809 1.00 0.00 C ATOM 1299 C PHE A 85 -0.073 -1.796 7.626 1.00 0.00 C ATOM 1300 O PHE A 85 -0.785 -2.776 7.403 1.00 0.00 O ATOM 1301 CB PHE A 85 -0.906 0.463 8.308 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.785 0.334 7.097 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.112 -0.043 7.224 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.284 0.590 5.831 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -3.922 -0.164 6.111 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.090 0.472 4.714 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.411 0.096 4.855 1.00 0.00 C ATOM 0 H PHE A 85 1.110 0.318 9.716 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.101 -1.351 9.447 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.473 0.937 9.110 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.072 1.124 8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.518 -0.245 8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.252 0.885 5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.954 -0.462 6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.687 0.674 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.044 0.005 3.984 1.00 0.00 H new ATOM 1317 N LEU A 86 0.971 -1.474 6.869 1.00 0.00 N ATOM 1318 CA LEU A 86 1.349 -2.272 5.708 1.00 0.00 C ATOM 1319 C LEU A 86 1.498 -3.743 6.083 1.00 0.00 C ATOM 1320 O LEU A 86 0.971 -4.623 5.405 1.00 0.00 O ATOM 1321 CB LEU A 86 2.657 -1.750 5.111 1.00 0.00 C ATOM 1322 CG LEU A 86 2.611 -0.339 4.525 1.00 0.00 C ATOM 1323 CD1 LEU A 86 4.002 0.108 4.101 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.649 -0.281 3.347 1.00 0.00 C ATOM 0 H LEU A 86 1.570 -0.666 7.039 1.00 0.00 H new ATOM 0 HA LEU A 86 0.557 -2.185 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.422 -1.775 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.975 -2.437 4.327 1.00 0.00 H new ATOM 0 HG LEU A 86 2.251 0.342 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.950 1.115 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.664 0.106 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.390 -0.576 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.629 0.731 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.979 -0.974 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.649 -0.558 3.680 1.00 0.00 H new ATOM 1336 N ASN A 87 2.220 -4.001 7.169 1.00 0.00 N ATOM 1337 CA ASN A 87 2.438 -5.366 7.635 1.00 0.00 C ATOM 1338 C ASN A 87 1.111 -6.057 7.933 1.00 0.00 C ATOM 1339 O ASN A 87 0.925 -7.230 7.610 1.00 0.00 O ATOM 1340 CB ASN A 87 3.318 -5.364 8.887 1.00 0.00 C ATOM 1341 CG ASN A 87 4.797 -5.362 8.554 1.00 0.00 C ATOM 1342 OD1 ASN A 87 5.195 -4.996 7.448 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.620 -5.771 9.513 1.00 0.00 N ATOM 0 H ASN A 87 2.664 -3.283 7.742 1.00 0.00 H new ATOM 0 HA ASN A 87 2.945 -5.918 6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.083 -4.488 9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.086 -6.240 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.626 -5.790 9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.246 -6.066 10.415 1.00 0.00 H new ATOM 1350 N GLU A 88 0.192 -5.321 8.550 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.118 -5.864 8.892 1.00 0.00 C ATOM 1352 C GLU A 88 -1.824 -6.401 7.650 1.00 0.00 C ATOM 1353 O GLU A 88 -2.039 -7.606 7.518 1.00 0.00 O ATOM 1354 CB GLU A 88 -1.981 -4.791 9.560 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.719 -4.640 11.049 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.599 -5.543 11.890 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.491 -6.779 11.745 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -3.396 -5.015 12.694 1.00 0.00 O ATOM 0 H GLU A 88 0.330 -4.348 8.823 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.971 -6.688 9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.801 -3.835 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.032 -5.035 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.672 -4.865 11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.885 -3.603 11.340 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.184 -5.498 6.744 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.865 -5.880 5.514 1.00 0.00 C ATOM 1367 C ILE A 89 -1.999 -6.810 4.672 1.00 0.00 C ATOM 1368 O ILE A 89 -2.503 -7.718 4.011 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.243 -4.647 4.673 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.023 -3.745 4.473 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.374 -3.877 5.340 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.298 -2.540 3.601 1.00 0.00 C ATOM 0 H ILE A 89 -2.015 -4.497 6.839 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.776 -6.402 5.807 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.586 -4.984 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.669 -3.406 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.218 -4.330 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.630 -3.008 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.247 -4.523 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.056 -3.548 6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.389 -1.947 3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.623 -2.871 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.081 -1.933 4.056 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.691 -6.578 4.700 1.00 0.00 N ATOM 1385 CA LYS A 90 0.248 -7.396 3.942 1.00 0.00 C ATOM 1386 C LYS A 90 0.018 -8.880 4.211 1.00 0.00 C ATOM 1387 O LYS A 90 -0.235 -9.657 3.290 1.00 0.00 O ATOM 1388 CB LYS A 90 1.688 -7.020 4.300 1.00 0.00 C ATOM 1389 CG LYS A 90 2.726 -7.965 3.719 1.00 0.00 C ATOM 1390 CD LYS A 90 4.128 -7.603 4.179 1.00 0.00 C ATOM 1391 CE LYS A 90 4.478 -8.287 5.491 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.773 -7.800 6.043 1.00 0.00 N ATOM 0 H LYS A 90 -0.257 -5.829 5.240 1.00 0.00 H new ATOM 0 HA LYS A 90 0.082 -7.207 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.890 -6.009 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.791 -7.003 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.496 -8.988 4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.680 -7.933 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.849 -7.891 3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.205 -6.522 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.684 -8.109 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.532 -9.365 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.051 -8.393 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.506 -7.852 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.668 -6.814 6.357 1.00 0.00 H new ATOM 1406 N LYS A 91 0.106 -9.267 5.479 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.096 -10.657 5.871 1.00 0.00 C ATOM 1408 C LYS A 91 -1.516 -11.112 5.550 1.00 0.00 C ATOM 1409 O LYS A 91 -1.721 -12.193 4.997 1.00 0.00 O ATOM 1410 CB LYS A 91 0.182 -10.833 7.366 1.00 0.00 C ATOM 1411 CG LYS A 91 1.630 -11.165 7.680 1.00 0.00 C ATOM 1412 CD LYS A 91 1.815 -11.522 9.146 1.00 0.00 C ATOM 1413 CE LYS A 91 1.844 -10.279 10.022 1.00 0.00 C ATOM 1414 NZ LYS A 91 2.229 -10.598 11.425 1.00 0.00 N ATOM 0 H LYS A 91 0.316 -8.637 6.253 1.00 0.00 H new ATOM 0 HA LYS A 91 0.601 -11.273 5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.094 -9.917 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.456 -11.626 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.956 -11.998 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.262 -10.313 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.005 -12.176 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.743 -12.079 9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.549 -9.559 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.862 -9.806 10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.237 -9.725 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.542 -11.266 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.177 -11.026 11.436 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.492 -10.281 5.900 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.892 -10.599 5.648 1.00 0.00 C ATOM 1430 C ARG A 92 -4.098 -11.043 4.203 1.00 0.00 C ATOM 1431 O ARG A 92 -4.709 -12.080 3.942 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.775 -9.386 5.951 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.180 -9.277 7.412 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.412 -8.403 7.584 1.00 0.00 C ATOM 1435 NE ARG A 92 -6.956 -8.485 8.937 1.00 0.00 N ATOM 1436 CZ ARG A 92 -6.488 -7.781 9.961 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -5.473 -6.946 9.787 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -7.037 -7.910 11.163 1.00 0.00 N ATOM 0 H ARG A 92 -2.339 -9.383 6.359 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.176 -11.420 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.244 -8.479 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.674 -9.439 5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.380 -10.272 7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.354 -8.862 7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.157 -7.368 7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.175 -8.707 6.867 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.738 -9.118 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.050 -6.843 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.116 -6.406 10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.819 -8.550 11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.677 -7.369 11.949 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.585 -10.252 3.267 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.713 -10.563 1.848 1.00 0.00 C ATOM 1454 C PHE A 93 -2.935 -11.827 1.496 1.00 0.00 C ATOM 1455 O PHE A 93 -3.345 -12.599 0.630 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.215 -9.390 1.000 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.326 -9.630 -0.478 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.547 -9.517 -1.123 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.208 -9.970 -1.223 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.651 -9.737 -2.483 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.306 -10.190 -2.584 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.530 -10.075 -3.215 1.00 0.00 C ATOM 0 H PHE A 93 -3.076 -9.390 3.465 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.768 -10.735 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.784 -8.497 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.174 -9.188 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.428 -9.254 -0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.249 -10.064 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.609 -9.645 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.427 -10.452 -3.154 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.610 -10.249 -4.278 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.809 -12.029 2.173 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.972 -13.198 1.930 1.00 0.00 C ATOM 1474 C GLN A 94 -1.610 -14.455 2.513 1.00 0.00 C ATOM 1475 O GLN A 94 -1.389 -15.562 2.021 1.00 0.00 O ATOM 1476 CB GLN A 94 0.418 -12.991 2.534 1.00 0.00 C ATOM 1477 CG GLN A 94 1.230 -11.913 1.835 1.00 0.00 C ATOM 1478 CD GLN A 94 2.271 -11.286 2.741 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.299 -11.544 3.945 1.00 0.00 O ATOM 1480 NE2 GLN A 94 3.135 -10.457 2.167 1.00 0.00 N ATOM 0 H GLN A 94 -1.456 -11.399 2.893 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.877 -13.327 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.312 -12.729 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.967 -13.932 2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.724 -12.343 0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.558 -11.137 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.076 -10.272 1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.858 -10.006 2.727 1.00 0.00 H new ATOM 1489 N THR A 95 -2.403 -14.277 3.565 1.00 0.00 N ATOM 1490 CA THR A 95 -3.072 -15.396 4.216 1.00 0.00 C ATOM 1491 C THR A 95 -4.476 -15.597 3.659 1.00 0.00 C ATOM 1492 O THR A 95 -5.030 -16.695 3.722 1.00 0.00 O ATOM 1493 CB THR A 95 -3.162 -15.187 5.740 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.847 -15.101 6.301 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.925 -16.326 6.398 1.00 0.00 C ATOM 0 H THR A 95 -2.598 -13.368 3.984 1.00 0.00 H new ATOM 0 HA THR A 95 -2.473 -16.284 4.013 1.00 0.00 H new ATOM 0 HB THR A 95 -3.698 -14.256 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.444 -14.240 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.976 -16.157 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.935 -16.371 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.412 -17.268 6.203 1.00 0.00 H new ATOM 1503 N THR A 96 -5.049 -14.530 3.111 1.00 0.00 N ATOM 1504 CA THR A 96 -6.389 -14.589 2.542 1.00 0.00 C ATOM 1505 C THR A 96 -6.341 -14.906 1.052 1.00 0.00 C ATOM 1506 O THR A 96 -6.766 -15.979 0.621 1.00 0.00 O ATOM 1507 CB THR A 96 -7.146 -13.263 2.748 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.029 -12.840 4.111 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.615 -13.417 2.384 1.00 0.00 C ATOM 0 H THR A 96 -4.605 -13.614 3.049 1.00 0.00 H new ATOM 0 HA THR A 96 -6.918 -15.387 3.064 1.00 0.00 H new ATOM 0 HB THR A 96 -6.703 -12.511 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.134 -12.470 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.129 -12.468 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.702 -13.712 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.068 -14.181 3.015 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.820 -13.968 0.269 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.717 -14.148 -1.175 1.00 0.00 C ATOM 1519 C TYR A 97 -4.258 -14.150 -1.621 1.00 0.00 C ATOM 1520 O TYR A 97 -3.922 -13.634 -2.686 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.483 -13.042 -1.903 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.788 -12.668 -1.236 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.820 -13.591 -1.120 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.988 -11.393 -0.722 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -10.014 -13.254 -0.513 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.178 -11.048 -0.111 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.188 -11.981 -0.010 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.376 -11.642 0.598 1.00 0.00 O ATOM 0 H TYR A 97 -5.462 -13.075 0.609 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.157 -15.113 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.851 -12.156 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.686 -13.364 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.686 -14.589 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.200 -10.659 -0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.807 -13.983 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.316 -10.053 0.285 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.336 -10.710 0.898 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.395 -14.738 -0.798 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.983 -14.799 -1.124 1.00 0.00 C ATOM 1540 C GLY A 98 -1.682 -15.810 -2.212 1.00 0.00 C ATOM 1541 O GLY A 98 -1.153 -15.458 -3.267 1.00 0.00 O ATOM 0 H GLY A 98 -3.649 -15.173 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.644 -13.814 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.417 -15.055 -0.228 1.00 0.00 H new ATOM 1545 N SER A 99 -2.017 -17.070 -1.956 1.00 0.00 N ATOM 1546 CA SER A 99 -1.775 -18.137 -2.920 1.00 0.00 C ATOM 1547 C SER A 99 -2.371 -17.786 -4.280 1.00 0.00 C ATOM 1548 O SER A 99 -1.715 -17.928 -5.313 1.00 0.00 O ATOM 1549 CB SER A 99 -2.367 -19.454 -2.415 1.00 0.00 C ATOM 1550 OG SER A 99 -1.556 -20.023 -1.402 1.00 0.00 O ATOM 0 H SER A 99 -2.457 -17.377 -1.089 1.00 0.00 H new ATOM 0 HA SER A 99 -0.697 -18.252 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.370 -19.280 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.463 -20.155 -3.244 1.00 0.00 H new ATOM 0 HG SER A 99 -1.957 -20.863 -1.095 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.618 -17.328 -4.272 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.304 -16.958 -5.504 1.00 0.00 C ATOM 1558 C ARG A 100 -3.576 -15.818 -6.210 1.00 0.00 C ATOM 1559 O ARG A 100 -3.632 -15.696 -7.433 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.747 -16.548 -5.205 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.696 -17.726 -5.054 1.00 0.00 C ATOM 1562 CD ARG A 100 -6.501 -18.430 -3.721 1.00 0.00 C ATOM 1563 NE ARG A 100 -7.245 -19.686 -3.651 1.00 0.00 N ATOM 1564 CZ ARG A 100 -6.789 -20.837 -4.131 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -5.598 -20.893 -4.712 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -7.525 -21.937 -4.030 1.00 0.00 N ATOM 0 H ARG A 100 -4.174 -17.204 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.309 -17.826 -6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.766 -15.958 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.106 -15.903 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.726 -17.378 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.533 -18.433 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.440 -18.628 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.823 -17.773 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.164 -19.678 -3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.029 -20.050 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.251 -21.779 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.441 -21.898 -3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.174 -22.821 -4.399 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.894 -14.985 -5.430 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.154 -13.856 -5.981 1.00 0.00 C ATOM 1582 C ALA A 101 -1.013 -14.331 -6.873 1.00 0.00 C ATOM 1583 O ALA A 101 -0.336 -13.525 -7.512 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.620 -12.978 -4.859 1.00 0.00 C ATOM 0 H ALA A 101 -2.839 -15.071 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.838 -13.268 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.070 -12.139 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.452 -12.602 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.955 -13.563 -4.224 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.805 -15.643 -6.912 1.00 0.00 N ATOM 1591 CA GLN A 102 0.257 -16.224 -7.726 1.00 0.00 C ATOM 1592 C GLN A 102 -0.265 -16.612 -9.105 1.00 0.00 C ATOM 1593 O GLN A 102 0.476 -16.597 -10.089 1.00 0.00 O ATOM 1594 CB GLN A 102 0.850 -17.450 -7.028 1.00 0.00 C ATOM 1595 CG GLN A 102 1.366 -17.162 -5.627 1.00 0.00 C ATOM 1596 CD GLN A 102 2.565 -16.235 -5.625 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.657 -16.613 -6.050 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.367 -15.012 -5.146 1.00 0.00 N ATOM 0 H GLN A 102 -1.357 -16.324 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 102 1.037 -15.473 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.090 -18.230 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.667 -17.843 -7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.567 -16.717 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.637 -18.101 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.445 -14.741 -4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.137 -14.344 -5.120 1.00 0.00 H new ATOM 1607 N THR A 103 -1.546 -16.961 -9.171 1.00 0.00 N ATOM 1608 CA THR A 103 -2.167 -17.355 -10.429 1.00 0.00 C ATOM 1609 C THR A 103 -3.262 -16.374 -10.833 1.00 0.00 C ATOM 1610 O THR A 103 -3.223 -15.799 -11.920 1.00 0.00 O ATOM 1611 CB THR A 103 -2.770 -18.770 -10.340 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.725 -18.830 -9.274 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.681 -19.808 -10.110 1.00 0.00 C ATOM 0 H THR A 103 -2.174 -16.979 -8.367 1.00 0.00 H new ATOM 0 HA THR A 103 -1.381 -17.350 -11.184 1.00 0.00 H new ATOM 0 HB THR A 103 -3.267 -18.989 -11.285 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.105 -19.732 -9.225 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.130 -20.799 -10.050 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.971 -19.780 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.161 -19.589 -9.178 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.238 -16.187 -9.950 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.342 -15.273 -10.214 1.00 0.00 C ATOM 1623 C ALA A 104 -4.850 -14.001 -10.896 1.00 0.00 C ATOM 1624 O ALA A 104 -3.690 -13.608 -10.769 1.00 0.00 O ATOM 1625 CB ALA A 104 -6.067 -14.934 -8.920 1.00 0.00 C ATOM 0 H ALA A 104 -4.286 -16.657 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.039 -15.769 -10.889 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.889 -14.251 -9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.460 -15.847 -8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.372 -14.461 -8.227 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.751 -13.340 -11.637 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.431 -12.101 -12.354 1.00 0.00 C ATOM 1633 C PRO A 105 -5.202 -10.927 -11.409 1.00 0.00 C ATOM 1634 O PRO A 105 -5.446 -11.011 -10.205 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.673 -11.860 -13.216 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.777 -12.552 -12.493 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.152 -13.749 -11.833 1.00 0.00 C ATOM 0 HA PRO A 105 -4.508 -12.188 -12.927 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.878 -10.795 -13.326 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.543 -12.264 -14.220 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.233 -11.893 -11.754 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.566 -12.854 -13.182 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.638 -13.985 -10.886 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.227 -14.638 -12.460 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.723 -9.804 -11.964 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.452 -8.591 -11.188 1.00 0.00 C ATOM 1647 C PRO A 106 -5.729 -7.919 -10.697 1.00 0.00 C ATOM 1648 O PRO A 106 -5.858 -7.595 -9.516 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.722 -7.687 -12.186 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.182 -8.152 -13.524 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.410 -9.633 -13.393 1.00 0.00 C ATOM 0 HA PRO A 106 -3.879 -8.804 -10.286 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.970 -6.638 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.640 -7.778 -12.085 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.098 -7.641 -13.821 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.436 -7.938 -14.289 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.229 -9.971 -14.027 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.527 -10.203 -13.682 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.672 -7.712 -11.610 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.939 -7.077 -11.269 1.00 0.00 C ATOM 1661 C TYR A 107 -8.980 -8.118 -10.868 1.00 0.00 C ATOM 1662 O TYR A 107 -10.090 -8.139 -11.399 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.455 -6.254 -12.451 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.988 -4.816 -12.437 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -6.646 -4.499 -12.609 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -8.888 -3.774 -12.250 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.214 -3.187 -12.596 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -8.465 -2.459 -12.237 1.00 0.00 C ATOM 1669 CZ TYR A 107 -7.127 -2.170 -12.410 1.00 0.00 C ATOM 1670 OH TYR A 107 -6.702 -0.862 -12.396 1.00 0.00 O ATOM 0 H TYR A 107 -6.583 -7.975 -12.591 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.767 -6.415 -10.420 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.130 -6.724 -13.379 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.545 -6.273 -12.448 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.928 -5.292 -12.755 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.936 -3.996 -12.112 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.167 -2.959 -12.731 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.178 -1.661 -12.092 1.00 0.00 H new ATOM 0 HH TYR A 107 -7.443 -0.275 -12.654 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.612 -8.980 -9.926 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.513 -10.022 -9.450 1.00 0.00 C ATOM 1682 C ALA A 108 -9.996 -9.726 -8.034 1.00 0.00 C ATOM 1683 O ALA A 108 -11.197 -9.642 -7.783 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.826 -11.379 -9.503 1.00 0.00 C ATOM 0 H ALA A 108 -7.696 -8.977 -9.477 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.384 -10.042 -10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.511 -12.148 -9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.537 -11.601 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.937 -11.362 -8.872 1.00 0.00 H new ATOM 1690 N MET A 109 -9.051 -9.570 -7.113 1.00 0.00 N ATOM 1691 CA MET A 109 -9.381 -9.284 -5.721 1.00 0.00 C ATOM 1692 C MET A 109 -9.453 -7.779 -5.478 1.00 0.00 C ATOM 1693 O MET A 109 -8.979 -7.283 -4.458 1.00 0.00 O ATOM 1694 CB MET A 109 -8.344 -9.914 -4.789 1.00 0.00 C ATOM 1695 CG MET A 109 -7.865 -11.281 -5.248 1.00 0.00 C ATOM 1696 SD MET A 109 -6.165 -11.624 -4.753 1.00 0.00 S ATOM 1697 CE MET A 109 -6.023 -13.351 -5.205 1.00 0.00 C ATOM 0 H MET A 109 -8.051 -9.637 -7.305 1.00 0.00 H new ATOM 0 HA MET A 109 -10.359 -9.716 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.487 -9.246 -4.709 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.772 -10.005 -3.791 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.521 -12.048 -4.837 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.943 -11.343 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.151 -13.785 -4.715 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.920 -13.885 -4.890 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.911 -13.436 -6.286 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.048 -7.060 -6.424 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.181 -5.612 -6.313 1.00 0.00 C ATOM 1709 C ASN A 110 -11.347 -5.241 -5.402 1.00 0.00 C ATOM 1710 O ASN A 110 -11.239 -4.334 -4.576 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.381 -4.989 -7.696 1.00 0.00 C ATOM 1712 CG ASN A 110 -10.971 -3.594 -7.622 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -12.104 -3.363 -8.044 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -10.202 -2.655 -7.083 1.00 0.00 N ATOM 0 H ASN A 110 -10.446 -7.456 -7.276 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.263 -5.221 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.423 -4.948 -8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.037 -5.627 -8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.545 -1.697 -7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.269 -2.891 -6.746 1.00 0.00 H new ATOM 1721 N SER A 111 -12.461 -5.949 -5.558 1.00 0.00 N ATOM 1722 CA SER A 111 -13.649 -5.692 -4.752 1.00 0.00 C ATOM 1723 C SER A 111 -13.446 -6.170 -3.317 1.00 0.00 C ATOM 1724 O SER A 111 -13.436 -5.370 -2.382 1.00 0.00 O ATOM 1725 CB SER A 111 -14.867 -6.387 -5.365 1.00 0.00 C ATOM 1726 OG SER A 111 -14.603 -7.758 -5.607 1.00 0.00 O ATOM 0 H SER A 111 -12.566 -6.705 -6.235 1.00 0.00 H new ATOM 0 HA SER A 111 -13.822 -4.616 -4.737 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.721 -6.291 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.139 -5.895 -6.299 1.00 0.00 H new ATOM 0 HG SER A 111 -15.397 -8.180 -5.997 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.283 -7.479 -3.153 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.081 -8.063 -1.832 1.00 0.00 C ATOM 1734 C GLU A 112 -12.070 -7.252 -1.028 1.00 0.00 C ATOM 1735 O GLU A 112 -12.359 -6.801 0.081 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.605 -9.512 -1.959 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.712 -10.487 -2.320 1.00 0.00 C ATOM 1738 CD GLU A 112 -13.180 -11.810 -2.836 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -12.576 -11.821 -3.929 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -13.366 -12.834 -2.145 1.00 0.00 O ATOM 0 H GLU A 112 -13.287 -8.154 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.035 -8.046 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.825 -9.564 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.153 -9.821 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.333 -10.667 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.354 -10.038 -3.078 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.881 -7.071 -1.594 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.825 -6.316 -0.929 1.00 0.00 C ATOM 1749 C PHE A 113 -10.243 -4.863 -0.723 1.00 0.00 C ATOM 1750 O PHE A 113 -10.114 -4.319 0.374 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.534 -6.376 -1.748 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.289 -6.338 -0.908 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.126 -7.216 0.151 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.282 -5.425 -1.178 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.981 -7.184 0.926 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.136 -5.389 -0.408 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.986 -6.269 0.647 1.00 0.00 C ATOM 0 H PHE A 113 -10.625 -7.437 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.649 -6.767 0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.533 -7.289 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.517 -5.539 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.902 -7.934 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.395 -4.734 -2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.866 -7.874 1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.358 -4.674 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.092 -6.241 1.252 1.00 0.00 H new ATOM 1767 N SER A 114 -10.744 -4.241 -1.785 1.00 0.00 N ATOM 1768 CA SER A 114 -11.177 -2.850 -1.722 1.00 0.00 C ATOM 1769 C SER A 114 -11.933 -2.574 -0.426 1.00 0.00 C ATOM 1770 O SER A 114 -11.643 -1.610 0.281 1.00 0.00 O ATOM 1771 CB SER A 114 -12.062 -2.515 -2.924 1.00 0.00 C ATOM 1772 OG SER A 114 -12.934 -1.436 -2.631 1.00 0.00 O ATOM 0 H SER A 114 -10.860 -4.678 -2.699 1.00 0.00 H new ATOM 0 HA SER A 114 -10.290 -2.217 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.437 -2.259 -3.780 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.645 -3.392 -3.206 1.00 0.00 H new ATOM 0 HG SER A 114 -12.413 -0.676 -2.296 1.00 0.00 H new ATOM 1778 N SER A 115 -12.905 -3.429 -0.122 1.00 0.00 N ATOM 1779 CA SER A 115 -13.706 -3.277 1.086 1.00 0.00 C ATOM 1780 C SER A 115 -12.853 -3.485 2.334 1.00 0.00 C ATOM 1781 O SER A 115 -12.854 -2.658 3.246 1.00 0.00 O ATOM 1782 CB SER A 115 -14.871 -4.269 1.079 1.00 0.00 C ATOM 1783 OG SER A 115 -15.513 -4.310 2.342 1.00 0.00 O ATOM 0 H SER A 115 -13.156 -4.234 -0.696 1.00 0.00 H new ATOM 0 HA SER A 115 -14.103 -2.262 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.590 -3.985 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.505 -5.263 0.821 1.00 0.00 H new ATOM 0 HG SER A 115 -16.255 -4.950 2.311 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.125 -4.596 2.367 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.266 -4.914 3.501 1.00 0.00 C ATOM 1791 C VAL A 116 -10.330 -3.755 3.824 1.00 0.00 C ATOM 1792 O VAL A 116 -10.359 -3.208 4.927 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.427 -6.178 3.233 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.496 -6.459 4.402 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.332 -7.370 2.962 1.00 0.00 C ATOM 0 H VAL A 116 -12.113 -5.291 1.621 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.921 -5.096 4.353 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.816 -6.006 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.912 -7.355 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.824 -5.613 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.084 -6.611 5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.723 -8.254 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.971 -7.546 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.952 -7.165 2.089 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.502 -3.383 2.854 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.556 -2.287 3.034 1.00 0.00 C ATOM 1807 C LEU A 117 -9.249 -1.061 3.621 1.00 0.00 C ATOM 1808 O LEU A 117 -8.851 -0.554 4.669 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.903 -1.927 1.699 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.714 -2.791 1.279 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.279 -2.449 -0.138 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.556 -2.615 2.251 1.00 0.00 C ATOM 0 H LEU A 117 -9.466 -3.824 1.935 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.785 -2.615 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.662 -1.985 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.573 -0.889 1.747 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.024 -3.836 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.432 -3.074 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.106 -2.628 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.988 -1.400 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.719 -3.238 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.247 -1.570 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.872 -2.911 3.251 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.289 -0.592 2.939 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.040 0.571 3.396 1.00 0.00 C ATOM 1826 C ALA A 118 -11.251 0.530 4.905 1.00 0.00 C ATOM 1827 O ALA A 118 -10.920 1.481 5.613 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.378 0.651 2.676 1.00 0.00 C ATOM 0 H ALA A 118 -10.630 -0.999 2.068 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.459 1.463 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.928 1.524 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.209 0.736 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.956 -0.250 2.882 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.805 -0.576 5.391 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.059 -0.740 6.817 1.00 0.00 C ATOM 1836 C ALA A 119 -10.779 -0.564 7.627 1.00 0.00 C ATOM 1837 O ALA A 119 -10.791 0.038 8.700 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.675 -2.104 7.090 1.00 0.00 C ATOM 0 H ALA A 119 -12.086 -1.372 4.818 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.763 0.033 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.859 -2.213 8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.617 -2.193 6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.991 -2.885 6.759 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.677 -1.094 7.105 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.389 -0.996 7.782 1.00 0.00 C ATOM 1846 C GLN A 120 -7.925 0.454 7.861 1.00 0.00 C ATOM 1847 O GLN A 120 -7.409 0.897 8.888 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.341 -1.840 7.054 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.591 -3.337 7.151 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.443 -3.863 8.565 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.694 -3.309 9.370 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.159 -4.937 8.876 1.00 0.00 N ATOM 0 H GLN A 120 -9.650 -1.595 6.217 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.510 -1.376 8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.320 -1.551 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.357 -1.617 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.595 -3.558 6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.893 -3.861 6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.767 -5.364 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.101 -5.335 9.813 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.110 1.190 6.770 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.710 2.592 6.716 1.00 0.00 C ATOM 1863 C LEU A 121 -8.486 3.420 7.735 1.00 0.00 C ATOM 1864 O LEU A 121 -7.910 3.965 8.676 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.933 3.152 5.310 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.758 3.021 4.341 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.258 2.913 2.908 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.810 4.202 4.489 1.00 0.00 C ATOM 0 H LEU A 121 -8.534 0.839 5.911 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.649 2.651 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.796 2.649 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.190 4.208 5.398 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.212 2.110 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.408 2.820 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.896 2.035 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.828 3.806 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.980 4.092 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.345 5.127 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.426 4.234 5.508 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.798 3.508 7.542 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.655 4.266 8.446 1.00 0.00 C ATOM 1882 C LYS A 122 -10.354 3.919 9.901 1.00 0.00 C ATOM 1883 O LYS A 122 -10.330 4.795 10.766 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.128 3.987 8.138 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.685 4.838 7.011 1.00 0.00 C ATOM 1886 CD LYS A 122 -12.507 4.162 5.661 1.00 0.00 C ATOM 1887 CE LYS A 122 -13.593 4.579 4.681 1.00 0.00 C ATOM 1888 NZ LYS A 122 -13.337 5.931 4.112 1.00 0.00 N ATOM 0 H LYS A 122 -10.291 3.064 6.767 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.453 5.326 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.243 2.935 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.718 4.160 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -13.744 5.028 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.184 5.806 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.529 4.416 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.527 3.080 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.652 3.850 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.559 4.574 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -14.221 6.479 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.627 6.423 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -12.984 5.837 3.138 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.124 2.636 10.163 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.822 2.174 11.513 1.00 0.00 C ATOM 1904 C HIS A 123 -8.552 2.835 12.042 1.00 0.00 C ATOM 1905 O HIS A 123 -8.549 3.416 13.128 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.665 0.654 11.532 1.00 0.00 C ATOM 1907 CG HIS A 123 -8.893 0.145 12.710 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -9.493 -0.270 13.880 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -7.562 -0.015 12.894 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -8.564 -0.662 14.734 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -7.383 -0.518 14.160 1.00 0.00 N ATOM 0 H HIS A 123 -10.141 1.898 9.459 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.653 2.454 12.160 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.654 0.195 11.531 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.165 0.337 10.617 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -6.785 0.211 12.179 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -8.740 -1.036 15.732 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -6.485 -0.743 14.587 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.476 2.742 11.268 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.200 3.331 11.659 1.00 0.00 C ATOM 1922 C HIS A 124 -6.306 4.850 11.747 1.00 0.00 C ATOM 1923 O HIS A 124 -6.181 5.430 12.826 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.107 2.941 10.663 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.414 1.658 11.005 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.539 1.535 12.063 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -4.474 0.438 10.423 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.088 0.294 12.116 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -3.640 -0.392 11.132 1.00 0.00 N ATOM 0 H HIS A 124 -7.462 2.265 10.367 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.938 2.946 12.644 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.547 2.853 9.670 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.369 3.741 10.615 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.067 0.167 9.562 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.387 -0.093 12.841 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -3.474 -1.378 10.931 1.00 0.00 H new