USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 180:sc= 0.294 USER MOD Set 1.2: A 90 SER OG : rot 78:sc= 0.3 USER MOD Set 2.1: A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0.267 (180deg=0.266) USER MOD Single : A 20 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -108:sc= 0.076 (180deg=0) USER MOD Single : A 39 CYS SG : rot 32:sc= 0.303 USER MOD Single : A 42 TYR OH : rot 165:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.677) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 22:sc= 0.244! USER MOD Single : A 54 SER OG : rot 14:sc= 0.176 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -163:sc= -0.0258 (180deg=-0.221) USER MOD Single : A 75 HIS : no HD1:sc= -5.47! C(o=-5.5!,f=-5!) USER MOD Single : A 81 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-2.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.42! C(o=-2.4!,f=-5.3!) USER MOD Single : A 102 GLN : amide:sc= -0.0185 K(o=-0.019,f=-0.98) USER MOD Single : A 104 MET CE :methyl -178:sc= -1.26 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.765 -0.716 12.510 1.00 0.00 N ATOM 105 CA VAL A 11 -0.756 -1.572 11.330 1.00 0.00 C ATOM 106 C VAL A 11 -2.156 -1.709 10.740 1.00 0.00 C ATOM 107 O VAL A 11 -3.142 -1.809 11.470 1.00 0.00 O ATOM 108 CB VAL A 11 -0.210 -2.974 11.657 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.299 -3.880 10.438 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.223 -2.883 12.161 1.00 0.00 C ATOM 0 HA VAL A 11 -0.101 -1.097 10.600 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.822 -3.408 12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.091 -4.866 10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.340 -3.970 10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.287 -3.454 9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.593 -3.883 12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.850 -2.429 11.394 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.253 -2.272 13.063 1.00 0.00 H new ATOM 120 N THR A 12 -2.235 -1.712 9.413 1.00 0.00 N ATOM 121 CA THR A 12 -3.513 -1.836 8.724 1.00 0.00 C ATOM 122 C THR A 12 -3.873 -3.299 8.490 1.00 0.00 C ATOM 123 O THR A 12 -4.966 -3.744 8.840 1.00 0.00 O ATOM 124 CB THR A 12 -3.496 -1.101 7.371 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.989 0.227 7.541 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.891 -1.043 6.768 1.00 0.00 C ATOM 0 H THR A 12 -1.428 -1.630 8.794 1.00 0.00 H new ATOM 0 HA THR A 12 -4.264 -1.379 9.368 1.00 0.00 H new ATOM 0 HB THR A 12 -2.847 -1.653 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.980 0.687 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.853 -0.519 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.262 -2.056 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.559 -0.512 7.447 1.00 0.00 H new ATOM 134 N LYS A 13 -2.945 -4.044 7.898 1.00 0.00 N ATOM 135 CA LYS A 13 -3.163 -5.458 7.618 1.00 0.00 C ATOM 136 C LYS A 13 -1.845 -6.226 7.640 1.00 0.00 C ATOM 137 O LYS A 13 -0.777 -5.650 7.431 1.00 0.00 O ATOM 138 CB LYS A 13 -3.844 -5.632 6.259 1.00 0.00 C ATOM 139 CG LYS A 13 -4.488 -6.995 6.071 1.00 0.00 C ATOM 140 CD LYS A 13 -5.557 -6.963 4.992 1.00 0.00 C ATOM 141 CE LYS A 13 -5.829 -8.352 4.436 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.724 -9.141 5.327 1.00 0.00 N ATOM 0 H LYS A 13 -2.034 -3.691 7.603 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.812 -5.861 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.605 -4.861 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.108 -5.475 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.724 -7.726 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.930 -7.323 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.477 -6.548 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.241 -6.302 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.284 -8.265 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.886 -8.883 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.885 -10.081 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.279 -9.246 6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.634 -8.648 5.430 1.00 0.00 H new ATOM 156 N ALA A 14 -1.927 -7.528 7.892 1.00 0.00 N ATOM 157 CA ALA A 14 -0.742 -8.374 7.937 1.00 0.00 C ATOM 158 C ALA A 14 -1.099 -9.835 7.683 1.00 0.00 C ATOM 159 O ALA A 14 -2.101 -10.336 8.192 1.00 0.00 O ATOM 160 CB ALA A 14 -0.038 -8.227 9.278 1.00 0.00 C ATOM 0 H ALA A 14 -2.803 -8.020 8.068 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.066 -8.050 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.846 -8.865 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.261 -7.189 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.716 -8.522 10.079 1.00 0.00 H new ATOM 166 N GLY A 15 -0.274 -10.513 6.891 1.00 0.00 N ATOM 167 CA GLY A 15 -0.521 -11.909 6.583 1.00 0.00 C ATOM 168 C GLY A 15 0.550 -12.505 5.692 1.00 0.00 C ATOM 169 O GLY A 15 1.296 -11.778 5.035 1.00 0.00 O ATOM 0 H GLY A 15 0.561 -10.120 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.575 -12.478 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.490 -12.004 6.094 1.00 0.00 H new ATOM 173 N TRP A 16 0.629 -13.830 5.669 1.00 0.00 N ATOM 174 CA TRP A 16 1.619 -14.523 4.853 1.00 0.00 C ATOM 175 C TRP A 16 1.253 -14.450 3.374 1.00 0.00 C ATOM 176 O TRP A 16 0.265 -15.044 2.939 1.00 0.00 O ATOM 177 CB TRP A 16 1.738 -15.984 5.290 1.00 0.00 C ATOM 178 CG TRP A 16 2.443 -16.156 6.601 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.868 -16.216 7.839 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.854 -16.289 6.805 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.837 -16.377 8.800 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.063 -16.426 8.191 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.960 -16.307 5.951 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.334 -16.578 8.740 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.220 -16.458 6.498 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.399 -16.592 7.881 1.00 0.00 C ATOM 0 H TRP A 16 0.019 -14.446 6.206 1.00 0.00 H new ATOM 0 HA TRP A 16 2.580 -14.029 4.995 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.740 -16.416 5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.273 -16.543 4.522 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.808 -16.147 8.034 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.670 -16.448 9.804 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.832 -16.205 4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.474 -16.681 9.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.082 -16.473 5.848 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.397 -16.709 8.277 1.00 0.00 H new ATOM 197 N LEU A 17 2.053 -13.719 2.606 1.00 0.00 N ATOM 198 CA LEU A 17 1.813 -13.569 1.175 1.00 0.00 C ATOM 199 C LEU A 17 2.994 -14.098 0.367 1.00 0.00 C ATOM 200 O LEU A 17 4.146 -13.988 0.786 1.00 0.00 O ATOM 201 CB LEU A 17 1.562 -12.100 0.832 1.00 0.00 C ATOM 202 CG LEU A 17 0.129 -11.602 1.019 1.00 0.00 C ATOM 203 CD1 LEU A 17 0.067 -10.089 0.882 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.802 -12.269 0.016 1.00 0.00 C ATOM 0 H LEU A 17 2.874 -13.221 2.950 1.00 0.00 H new ATOM 0 HA LEU A 17 0.929 -14.152 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.221 -11.487 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.850 -11.936 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.200 -11.869 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.961 -9.753 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.702 -9.629 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.415 -9.799 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.818 -11.903 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.475 -12.033 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.781 -13.349 0.162 1.00 0.00 H new ATOM 216 N PHE A 18 2.699 -14.671 -0.795 1.00 0.00 N ATOM 217 CA PHE A 18 3.736 -15.216 -1.664 1.00 0.00 C ATOM 218 C PHE A 18 4.253 -14.152 -2.627 1.00 0.00 C ATOM 219 O PHE A 18 3.507 -13.633 -3.457 1.00 0.00 O ATOM 220 CB PHE A 18 3.195 -16.412 -2.451 1.00 0.00 C ATOM 221 CG PHE A 18 3.118 -17.676 -1.642 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.416 -17.708 -0.448 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.747 -18.831 -2.077 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.344 -18.870 0.298 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.679 -19.996 -1.335 1.00 0.00 C ATOM 226 CZ PHE A 18 2.975 -20.015 -0.147 1.00 0.00 C ATOM 0 H PHE A 18 1.751 -14.770 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 18 4.564 -15.547 -1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.201 -16.170 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.831 -16.584 -3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.920 -16.816 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.297 -18.822 -3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.795 -18.882 1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.176 -20.889 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.918 -20.924 0.433 1.00 0.00 H new ATOM 236 N LYS A 19 5.537 -13.830 -2.509 1.00 0.00 N ATOM 237 CA LYS A 19 6.157 -12.829 -3.369 1.00 0.00 C ATOM 238 C LYS A 19 6.829 -13.484 -4.571 1.00 0.00 C ATOM 239 O LYS A 19 7.779 -14.251 -4.420 1.00 0.00 O ATOM 240 CB LYS A 19 7.184 -12.015 -2.578 1.00 0.00 C ATOM 241 CG LYS A 19 7.477 -10.653 -3.184 1.00 0.00 C ATOM 242 CD LYS A 19 8.661 -9.984 -2.506 1.00 0.00 C ATOM 243 CE LYS A 19 8.973 -8.634 -3.133 1.00 0.00 C ATOM 244 NZ LYS A 19 10.095 -7.945 -2.437 1.00 0.00 N ATOM 0 H LYS A 19 6.169 -14.248 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 19 5.374 -12.163 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.821 -11.880 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.113 -12.582 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.681 -10.764 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.597 -10.016 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.448 -9.853 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.536 -10.630 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.228 -8.772 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.084 -8.004 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.299 -7.044 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.829 -7.760 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.941 -8.549 -2.461 1.00 0.00 H new ATOM 258 N GLN A 20 6.329 -13.175 -5.763 1.00 0.00 N ATOM 259 CA GLN A 20 6.882 -13.734 -6.991 1.00 0.00 C ATOM 260 C GLN A 20 8.396 -13.552 -7.039 1.00 0.00 C ATOM 261 O GLN A 20 8.931 -12.584 -6.499 1.00 0.00 O ATOM 262 CB GLN A 20 6.238 -13.075 -8.212 1.00 0.00 C ATOM 263 CG GLN A 20 6.267 -13.945 -9.459 1.00 0.00 C ATOM 264 CD GLN A 20 5.613 -13.275 -10.652 1.00 0.00 C ATOM 265 OE1 GLN A 20 6.115 -12.278 -11.170 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.487 -13.823 -11.095 1.00 0.00 N ATOM 0 H GLN A 20 5.543 -12.541 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 20 6.662 -14.802 -7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.203 -12.826 -7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.752 -12.137 -8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.301 -14.187 -9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.759 -14.887 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.107 -14.650 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.003 -13.417 -11.896 1.00 0.00 H new ATOM 275 N ALA A 21 9.079 -14.488 -7.688 1.00 0.00 N ATOM 276 CA ALA A 21 10.531 -14.429 -7.808 1.00 0.00 C ATOM 277 C ALA A 21 10.957 -13.353 -8.800 1.00 0.00 C ATOM 278 O ALA A 21 10.118 -12.710 -9.432 1.00 0.00 O ATOM 279 CB ALA A 21 11.081 -15.784 -8.227 1.00 0.00 C ATOM 0 H ALA A 21 8.651 -15.296 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 21 10.941 -14.169 -6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.166 -15.726 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.816 -16.531 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.656 -16.067 -9.190 1.00 0.00 H new ATOM 352 N GLN A 27 8.792 -19.026 -9.914 1.00 0.00 N ATOM 353 CA GLN A 27 8.285 -19.651 -8.698 1.00 0.00 C ATOM 354 C GLN A 27 7.806 -18.597 -7.704 1.00 0.00 C ATOM 355 O GLN A 27 7.906 -17.398 -7.961 1.00 0.00 O ATOM 356 CB GLN A 27 9.368 -20.519 -8.056 1.00 0.00 C ATOM 357 CG GLN A 27 10.555 -19.726 -7.535 1.00 0.00 C ATOM 358 CD GLN A 27 11.603 -20.605 -6.882 1.00 0.00 C ATOM 359 OE1 GLN A 27 11.385 -21.798 -6.669 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.751 -20.019 -6.560 1.00 0.00 N ATOM 0 HA GLN A 27 7.438 -20.281 -8.969 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.929 -21.083 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.720 -21.246 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.010 -19.176 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.205 -18.987 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.890 -19.027 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.494 -20.561 -6.118 1.00 0.00 H new ATOM 369 N TRP A 28 7.287 -19.054 -6.570 1.00 0.00 N ATOM 370 CA TRP A 28 6.792 -18.150 -5.538 1.00 0.00 C ATOM 371 C TRP A 28 7.390 -18.496 -4.179 1.00 0.00 C ATOM 372 O TRP A 28 7.368 -19.652 -3.758 1.00 0.00 O ATOM 373 CB TRP A 28 5.265 -18.210 -5.467 1.00 0.00 C ATOM 374 CG TRP A 28 4.594 -17.739 -6.722 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.534 -18.397 -7.917 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.888 -16.507 -6.904 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.834 -17.648 -8.831 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.426 -16.484 -8.235 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.600 -15.421 -6.073 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.694 -15.418 -8.751 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.873 -14.363 -6.587 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.426 -14.369 -7.915 1.00 0.00 C ATOM 0 H TRP A 28 7.198 -20.044 -6.342 1.00 0.00 H new ATOM 0 HA TRP A 28 7.097 -17.137 -5.801 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.958 -19.236 -5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.923 -17.601 -4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.972 -19.364 -8.114 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.648 -17.915 -9.798 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.939 -15.408 -5.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.350 -15.419 -9.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.646 -13.518 -5.954 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.858 -13.528 -8.286 1.00 0.00 H new ATOM 393 N ASN A 29 7.924 -17.487 -3.498 1.00 0.00 N ATOM 394 CA ASN A 29 8.529 -17.686 -2.186 1.00 0.00 C ATOM 395 C ASN A 29 7.669 -17.063 -1.090 1.00 0.00 C ATOM 396 O ASN A 29 7.533 -15.842 -1.012 1.00 0.00 O ATOM 397 CB ASN A 29 9.934 -17.083 -2.152 1.00 0.00 C ATOM 398 CG ASN A 29 10.864 -17.727 -3.163 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.449 -18.778 -2.904 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.004 -17.096 -4.323 1.00 0.00 N ATOM 0 H ASN A 29 7.950 -16.524 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 29 8.597 -18.759 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.872 -16.013 -2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.352 -17.199 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.616 -17.481 -5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.499 -16.226 -4.495 1.00 0.00 H new ATOM 407 N LYS A 30 7.092 -17.909 -0.245 1.00 0.00 N ATOM 408 CA LYS A 30 6.247 -17.443 0.848 1.00 0.00 C ATOM 409 C LYS A 30 6.998 -16.455 1.733 1.00 0.00 C ATOM 410 O LYS A 30 8.123 -16.719 2.159 1.00 0.00 O ATOM 411 CB LYS A 30 5.762 -18.628 1.686 1.00 0.00 C ATOM 412 CG LYS A 30 4.865 -18.227 2.845 1.00 0.00 C ATOM 413 CD LYS A 30 4.354 -19.442 3.601 1.00 0.00 C ATOM 414 CE LYS A 30 3.235 -19.070 4.561 1.00 0.00 C ATOM 415 NZ LYS A 30 2.543 -20.274 5.099 1.00 0.00 N ATOM 0 H LYS A 30 7.194 -18.923 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 30 5.385 -16.934 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.221 -19.321 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.627 -19.165 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.417 -17.579 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.020 -17.649 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.994 -20.188 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.174 -19.898 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.643 -18.487 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.513 -18.435 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.596 -20.349 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.095 -21.124 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.454 -20.191 6.132 1.00 0.00 H new ATOM 429 N ARG A 31 6.370 -15.316 2.007 1.00 0.00 N ATOM 430 CA ARG A 31 6.980 -14.288 2.842 1.00 0.00 C ATOM 431 C ARG A 31 5.918 -13.531 3.634 1.00 0.00 C ATOM 432 O ARG A 31 4.790 -13.359 3.172 1.00 0.00 O ATOM 433 CB ARG A 31 7.783 -13.312 1.981 1.00 0.00 C ATOM 434 CG ARG A 31 8.906 -12.618 2.734 1.00 0.00 C ATOM 435 CD ARG A 31 10.128 -13.515 2.862 1.00 0.00 C ATOM 436 NE ARG A 31 9.925 -14.577 3.843 1.00 0.00 N ATOM 437 CZ ARG A 31 10.623 -15.708 3.857 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.563 -15.921 2.947 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.380 -16.628 4.782 1.00 0.00 N ATOM 0 H ARG A 31 5.439 -15.082 1.663 1.00 0.00 H new ATOM 0 HA ARG A 31 7.653 -14.778 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.205 -13.851 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.108 -12.558 1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.180 -11.699 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.558 -12.332 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.357 -13.956 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.990 -12.914 3.151 1.00 0.00 H new ATOM 0 HE ARG A 31 9.208 -14.444 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.752 -15.216 2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.098 -16.790 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.657 -16.468 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.916 -17.496 4.792 1.00 0.00 H new ATOM 453 N TRP A 32 6.288 -13.081 4.828 1.00 0.00 N ATOM 454 CA TRP A 32 5.367 -12.343 5.685 1.00 0.00 C ATOM 455 C TRP A 32 5.252 -10.890 5.236 1.00 0.00 C ATOM 456 O TRP A 32 6.248 -10.170 5.171 1.00 0.00 O ATOM 457 CB TRP A 32 5.832 -12.404 7.141 1.00 0.00 C ATOM 458 CG TRP A 32 4.884 -11.744 8.095 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.126 -10.637 8.858 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.543 -12.151 8.390 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.017 -10.331 9.609 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.032 -11.244 9.340 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.724 -13.191 7.943 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.741 -11.349 9.849 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.442 -13.294 8.450 1.00 0.00 C ATOM 466 CH2 TRP A 32 0.960 -12.377 9.394 1.00 0.00 C ATOM 0 H TRP A 32 7.218 -13.214 5.224 1.00 0.00 H new ATOM 0 HA TRP A 32 4.384 -12.808 5.605 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.960 -13.447 7.431 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.809 -11.928 7.223 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.053 -10.083 8.869 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.940 -9.551 10.261 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.086 -13.902 7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.368 -10.644 10.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.801 -14.095 8.113 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.047 -12.483 9.770 1.00 0.00 H new ATOM 477 N PHE A 33 4.031 -10.466 4.926 1.00 0.00 N ATOM 478 CA PHE A 33 3.786 -9.099 4.482 1.00 0.00 C ATOM 479 C PHE A 33 2.964 -8.331 5.513 1.00 0.00 C ATOM 480 O PHE A 33 2.034 -8.873 6.111 1.00 0.00 O ATOM 481 CB PHE A 33 3.062 -9.100 3.134 1.00 0.00 C ATOM 482 CG PHE A 33 3.984 -9.263 1.959 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.424 -10.520 1.576 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.410 -8.159 1.238 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.272 -10.673 0.495 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.258 -8.307 0.156 1.00 0.00 C ATOM 487 CZ PHE A 33 5.690 -9.565 -0.215 1.00 0.00 C ATOM 0 H PHE A 33 3.196 -11.050 4.974 1.00 0.00 H new ATOM 0 HA PHE A 33 4.750 -8.602 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.329 -9.906 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.510 -8.166 3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.101 -11.390 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.076 -7.173 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.607 -11.658 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.582 -7.439 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.354 -9.682 -1.059 1.00 0.00 H new ATOM 497 N VAL A 34 3.314 -7.065 5.716 1.00 0.00 N ATOM 498 CA VAL A 34 2.609 -6.221 6.673 1.00 0.00 C ATOM 499 C VAL A 34 2.272 -4.864 6.066 1.00 0.00 C ATOM 500 O VAL A 34 3.159 -4.045 5.818 1.00 0.00 O ATOM 501 CB VAL A 34 3.441 -6.007 7.952 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.668 -5.169 8.958 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.843 -7.344 8.555 1.00 0.00 C ATOM 0 H VAL A 34 4.082 -6.601 5.230 1.00 0.00 H new ATOM 0 HA VAL A 34 1.685 -6.739 6.931 1.00 0.00 H new ATOM 0 HB VAL A 34 4.350 -5.466 7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.272 -5.029 9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.436 -4.198 8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.741 -5.679 9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.430 -7.174 9.458 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.948 -7.914 8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.439 -7.904 7.834 1.00 0.00 H new ATOM 513 N LEU A 35 0.986 -4.631 5.829 1.00 0.00 N ATOM 514 CA LEU A 35 0.531 -3.371 5.251 1.00 0.00 C ATOM 515 C LEU A 35 0.640 -2.236 6.264 1.00 0.00 C ATOM 516 O LEU A 35 0.049 -2.293 7.343 1.00 0.00 O ATOM 517 CB LEU A 35 -0.915 -3.502 4.769 1.00 0.00 C ATOM 518 CG LEU A 35 -1.598 -2.205 4.336 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.868 -1.585 3.154 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.058 -2.460 3.989 1.00 0.00 C ATOM 0 H LEU A 35 0.240 -5.298 6.028 1.00 0.00 H new ATOM 0 HA LEU A 35 1.172 -3.137 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.936 -4.198 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.504 -3.950 5.569 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.561 -1.503 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.369 -0.663 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.161 -1.365 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.873 -2.283 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.528 -1.525 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.118 -3.180 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.575 -2.857 4.862 1.00 0.00 H new ATOM 532 N VAL A 36 1.398 -1.204 5.908 1.00 0.00 N ATOM 533 CA VAL A 36 1.582 -0.053 6.785 1.00 0.00 C ATOM 534 C VAL A 36 1.016 1.214 6.154 1.00 0.00 C ATOM 535 O VAL A 36 0.429 1.173 5.072 1.00 0.00 O ATOM 536 CB VAL A 36 3.071 0.170 7.112 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.732 1.020 6.038 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.224 0.814 8.482 1.00 0.00 C ATOM 0 H VAL A 36 1.894 -1.141 5.019 1.00 0.00 H new ATOM 0 HA VAL A 36 1.043 -0.268 7.708 1.00 0.00 H new ATOM 0 HB VAL A 36 3.570 -0.799 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.783 1.167 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.653 0.515 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.234 1.988 5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.282 0.964 8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.711 1.776 8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.788 0.164 9.240 1.00 0.00 H new ATOM 548 N ASP A 37 1.196 2.339 6.837 1.00 0.00 N ATOM 549 CA ASP A 37 0.705 3.620 6.343 1.00 0.00 C ATOM 550 C ASP A 37 1.148 3.854 4.902 1.00 0.00 C ATOM 551 O ASP A 37 2.343 3.937 4.616 1.00 0.00 O ATOM 552 CB ASP A 37 1.202 4.760 7.234 1.00 0.00 C ATOM 553 CG ASP A 37 2.715 4.849 7.269 1.00 0.00 C ATOM 554 OD1 ASP A 37 3.371 3.786 7.283 1.00 0.00 O ATOM 555 OD2 ASP A 37 3.243 5.980 7.283 1.00 0.00 O ATOM 0 H ASP A 37 1.678 2.390 7.734 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.384 3.597 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.794 5.704 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.826 4.616 8.247 1.00 0.00 H new ATOM 560 N ARG A 38 0.179 3.958 3.999 1.00 0.00 N ATOM 561 CA ARG A 38 0.470 4.179 2.588 1.00 0.00 C ATOM 562 C ARG A 38 1.753 3.463 2.178 1.00 0.00 C ATOM 563 O ARG A 38 2.488 3.933 1.309 1.00 0.00 O ATOM 564 CB ARG A 38 0.595 5.676 2.299 1.00 0.00 C ATOM 565 CG ARG A 38 -0.735 6.413 2.317 1.00 0.00 C ATOM 566 CD ARG A 38 -0.656 7.724 1.550 1.00 0.00 C ATOM 567 NE ARG A 38 -1.872 8.518 1.696 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.040 9.714 1.144 1.00 0.00 C ATOM 569 NH1 ARG A 38 -1.073 10.252 0.413 1.00 0.00 N ATOM 570 NH2 ARG A 38 -3.176 10.376 1.323 1.00 0.00 N ATOM 0 H ARG A 38 -0.815 3.893 4.219 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.356 3.771 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.260 6.126 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.063 5.811 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.508 5.781 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.029 6.610 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.198 8.301 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.483 7.516 0.494 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.635 8.133 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.198 9.747 0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.204 11.171 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.922 9.966 1.885 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.303 11.295 0.898 1.00 0.00 H new ATOM 584 N CYS A 39 2.016 2.324 2.810 1.00 0.00 N ATOM 585 CA CYS A 39 3.212 1.543 2.513 1.00 0.00 C ATOM 586 C CYS A 39 2.998 0.072 2.853 1.00 0.00 C ATOM 587 O CYS A 39 2.021 -0.289 3.509 1.00 0.00 O ATOM 588 CB CYS A 39 4.410 2.090 3.289 1.00 0.00 C ATOM 589 SG CYS A 39 5.352 3.352 2.401 1.00 0.00 S ATOM 0 H CYS A 39 1.417 1.921 3.531 1.00 0.00 H new ATOM 0 HA CYS A 39 3.414 1.625 1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.058 2.511 4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.076 1.264 3.538 1.00 0.00 H new ATOM 0 HG CYS A 39 4.550 4.039 1.643 1.00 0.00 H new ATOM 595 N LEU A 40 3.918 -0.774 2.401 1.00 0.00 N ATOM 596 CA LEU A 40 3.831 -2.207 2.657 1.00 0.00 C ATOM 597 C LEU A 40 5.217 -2.809 2.862 1.00 0.00 C ATOM 598 O LEU A 40 6.090 -2.693 2.002 1.00 0.00 O ATOM 599 CB LEU A 40 3.124 -2.910 1.496 1.00 0.00 C ATOM 600 CG LEU A 40 3.148 -4.438 1.522 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.596 -4.958 2.841 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.357 -5.004 0.351 1.00 0.00 C ATOM 0 H LEU A 40 4.732 -0.492 1.856 1.00 0.00 H new ATOM 0 HA LEU A 40 3.253 -2.354 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.084 -2.583 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.579 -2.575 0.564 1.00 0.00 H new ATOM 0 HG LEU A 40 4.183 -4.768 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.621 -6.048 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.204 -4.581 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.568 -4.618 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.385 -6.093 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.323 -4.665 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.796 -4.659 -0.585 1.00 0.00 H new ATOM 614 N PHE A 41 5.412 -3.456 4.007 1.00 0.00 N ATOM 615 CA PHE A 41 6.692 -4.078 4.325 1.00 0.00 C ATOM 616 C PHE A 41 6.577 -5.599 4.304 1.00 0.00 C ATOM 617 O PHE A 41 5.478 -6.149 4.226 1.00 0.00 O ATOM 618 CB PHE A 41 7.183 -3.611 5.697 1.00 0.00 C ATOM 619 CG PHE A 41 7.704 -2.202 5.700 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.995 -1.926 5.281 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.902 -1.154 6.121 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.477 -0.631 5.283 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.378 0.144 6.125 1.00 0.00 C ATOM 624 CZ PHE A 41 8.667 0.406 5.704 1.00 0.00 C ATOM 0 H PHE A 41 4.700 -3.563 4.730 1.00 0.00 H new ATOM 0 HA PHE A 41 7.414 -3.775 3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.364 -3.689 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.971 -4.282 6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.632 -2.732 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.893 -1.353 6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.486 -0.430 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.743 0.952 6.457 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.041 1.419 5.704 1.00 0.00 H new ATOM 634 N TYR A 42 7.719 -6.273 4.374 1.00 0.00 N ATOM 635 CA TYR A 42 7.749 -7.731 4.361 1.00 0.00 C ATOM 636 C TYR A 42 8.961 -8.259 5.122 1.00 0.00 C ATOM 637 O TYR A 42 10.046 -7.681 5.061 1.00 0.00 O ATOM 638 CB TYR A 42 7.772 -8.248 2.921 1.00 0.00 C ATOM 639 CG TYR A 42 9.102 -8.051 2.228 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.153 -8.935 2.434 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.306 -6.979 1.367 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.369 -8.758 1.804 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.518 -6.795 0.731 1.00 0.00 C ATOM 644 CZ TYR A 42 11.547 -7.687 0.953 1.00 0.00 C ATOM 645 OH TYR A 42 12.757 -7.508 0.322 1.00 0.00 O ATOM 0 H TYR A 42 8.637 -5.833 4.440 1.00 0.00 H new ATOM 0 HA TYR A 42 6.847 -8.092 4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.526 -9.310 2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.995 -7.741 2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.017 -9.775 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.503 -6.278 1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.176 -9.454 1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.660 -5.958 0.064 1.00 0.00 H new ATOM 0 HH TYR A 42 12.651 -6.867 -0.412 1.00 0.00 H new ATOM 655 N TYR A 43 8.767 -9.361 5.839 1.00 0.00 N ATOM 656 CA TYR A 43 9.842 -9.967 6.614 1.00 0.00 C ATOM 657 C TYR A 43 9.901 -11.473 6.379 1.00 0.00 C ATOM 658 O TYR A 43 8.957 -12.071 5.863 1.00 0.00 O ATOM 659 CB TYR A 43 9.650 -9.679 8.104 1.00 0.00 C ATOM 660 CG TYR A 43 9.138 -8.285 8.390 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.827 -7.931 8.097 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.966 -7.323 8.955 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.356 -6.659 8.356 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.502 -6.048 9.219 1.00 0.00 C ATOM 665 CZ TYR A 43 8.197 -5.721 8.917 1.00 0.00 C ATOM 666 OH TYR A 43 7.731 -4.453 9.178 1.00 0.00 O ATOM 0 H TYR A 43 7.875 -9.852 5.899 1.00 0.00 H new ATOM 0 HA TYR A 43 10.784 -9.529 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.952 -10.406 8.519 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.601 -9.821 8.618 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.165 -8.663 7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.989 -7.576 9.192 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.334 -6.400 8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.158 -5.312 9.659 1.00 0.00 H new ATOM 0 HH TYR A 43 8.449 -3.916 9.574 1.00 0.00 H new ATOM 676 N LYS A 44 11.018 -12.082 6.763 1.00 0.00 N ATOM 677 CA LYS A 44 11.202 -13.519 6.598 1.00 0.00 C ATOM 678 C LYS A 44 10.114 -14.295 7.332 1.00 0.00 C ATOM 679 O LYS A 44 9.596 -15.289 6.822 1.00 0.00 O ATOM 680 CB LYS A 44 12.580 -13.940 7.114 1.00 0.00 C ATOM 681 CG LYS A 44 13.712 -13.629 6.150 1.00 0.00 C ATOM 682 CD LYS A 44 13.894 -14.738 5.127 1.00 0.00 C ATOM 683 CE LYS A 44 14.756 -14.283 3.960 1.00 0.00 C ATOM 684 NZ LYS A 44 14.689 -15.235 2.817 1.00 0.00 N ATOM 0 H LYS A 44 11.810 -11.602 7.191 1.00 0.00 H new ATOM 0 HA LYS A 44 11.133 -13.749 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.773 -13.437 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.571 -15.011 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.506 -12.690 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.638 -13.491 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.354 -15.603 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.919 -15.058 4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.430 -13.296 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.790 -14.183 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.538 -15.128 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.639 -16.209 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.843 -15.034 2.247 1.00 0.00 H new ATOM 698 N ASP A 45 9.771 -13.835 8.530 1.00 0.00 N ATOM 699 CA ASP A 45 8.742 -14.485 9.333 1.00 0.00 C ATOM 700 C ASP A 45 8.126 -13.503 10.325 1.00 0.00 C ATOM 701 O ASP A 45 8.598 -12.377 10.471 1.00 0.00 O ATOM 702 CB ASP A 45 9.329 -15.684 10.080 1.00 0.00 C ATOM 703 CG ASP A 45 8.267 -16.499 10.792 1.00 0.00 C ATOM 704 OD1 ASP A 45 7.842 -16.088 11.892 1.00 0.00 O ATOM 705 OD2 ASP A 45 7.861 -17.547 10.248 1.00 0.00 O ATOM 0 H ASP A 45 10.191 -13.014 8.967 1.00 0.00 H new ATOM 0 HA ASP A 45 7.958 -14.834 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.861 -16.323 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.061 -15.333 10.807 1.00 0.00 H new ATOM 710 N GLU A 46 7.069 -13.940 11.003 1.00 0.00 N ATOM 711 CA GLU A 46 6.388 -13.098 11.980 1.00 0.00 C ATOM 712 C GLU A 46 7.386 -12.227 12.737 1.00 0.00 C ATOM 713 O GLU A 46 7.137 -11.046 12.980 1.00 0.00 O ATOM 714 CB GLU A 46 5.597 -13.960 12.966 1.00 0.00 C ATOM 715 CG GLU A 46 4.556 -14.845 12.301 1.00 0.00 C ATOM 716 CD GLU A 46 3.347 -14.065 11.823 1.00 0.00 C ATOM 717 OE1 GLU A 46 3.469 -13.339 10.815 1.00 0.00 O ATOM 718 OE2 GLU A 46 2.278 -14.182 12.458 1.00 0.00 O ATOM 0 H GLU A 46 6.666 -14.871 10.894 1.00 0.00 H new ATOM 0 HA GLU A 46 5.698 -12.447 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.291 -14.587 13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.102 -13.310 13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.010 -15.360 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.234 -15.612 13.005 1.00 0.00 H new ATOM 725 N LYS A 47 8.517 -12.818 13.107 1.00 0.00 N ATOM 726 CA LYS A 47 9.555 -12.097 13.836 1.00 0.00 C ATOM 727 C LYS A 47 9.642 -10.648 13.368 1.00 0.00 C ATOM 728 O LYS A 47 9.702 -9.727 14.181 1.00 0.00 O ATOM 729 CB LYS A 47 10.908 -12.787 13.651 1.00 0.00 C ATOM 730 CG LYS A 47 10.984 -14.160 14.295 1.00 0.00 C ATOM 731 CD LYS A 47 12.275 -14.875 13.934 1.00 0.00 C ATOM 732 CE LYS A 47 12.646 -15.918 14.977 1.00 0.00 C ATOM 733 NZ LYS A 47 13.647 -16.890 14.458 1.00 0.00 N ATOM 0 H LYS A 47 8.739 -13.795 12.914 1.00 0.00 H new ATOM 0 HA LYS A 47 9.293 -12.103 14.894 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.115 -12.883 12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.690 -12.154 14.071 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.914 -14.059 15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.133 -14.761 13.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.167 -15.355 12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.082 -14.148 13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.047 -15.421 15.861 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.749 -16.453 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.873 -17.584 15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.256 -17.383 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.512 -16.383 14.182 1.00 0.00 H new ATOM 747 N GLU A 48 9.647 -10.455 12.052 1.00 0.00 N ATOM 748 CA GLU A 48 9.727 -9.118 11.477 1.00 0.00 C ATOM 749 C GLU A 48 10.759 -8.269 12.214 1.00 0.00 C ATOM 750 O GLU A 48 10.662 -7.043 12.244 1.00 0.00 O ATOM 751 CB GLU A 48 8.358 -8.434 11.529 1.00 0.00 C ATOM 752 CG GLU A 48 7.929 -8.037 12.931 1.00 0.00 C ATOM 753 CD GLU A 48 6.844 -6.977 12.930 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.653 -7.346 12.882 1.00 0.00 O ATOM 755 OE2 GLU A 48 7.189 -5.778 12.978 1.00 0.00 O ATOM 0 H GLU A 48 9.597 -11.207 11.365 1.00 0.00 H new ATOM 0 HA GLU A 48 10.038 -9.216 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.382 -7.544 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.610 -9.104 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.570 -8.919 13.461 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.794 -7.666 13.480 1.00 0.00 H new ATOM 762 N GLU A 49 11.746 -8.932 12.808 1.00 0.00 N ATOM 763 CA GLU A 49 12.796 -8.239 13.546 1.00 0.00 C ATOM 764 C GLU A 49 13.386 -7.103 12.715 1.00 0.00 C ATOM 765 O GLU A 49 13.301 -5.935 13.093 1.00 0.00 O ATOM 766 CB GLU A 49 13.900 -9.219 13.948 1.00 0.00 C ATOM 767 CG GLU A 49 13.641 -9.919 15.271 1.00 0.00 C ATOM 768 CD GLU A 49 13.565 -8.952 16.437 1.00 0.00 C ATOM 769 OE1 GLU A 49 14.632 -8.497 16.900 1.00 0.00 O ATOM 770 OE2 GLU A 49 12.440 -8.650 16.886 1.00 0.00 O ATOM 0 H GLU A 49 11.841 -9.947 12.793 1.00 0.00 H new ATOM 0 HA GLU A 49 12.352 -7.815 14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.011 -9.969 13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.846 -8.681 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.707 -10.478 15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.434 -10.644 15.456 1.00 0.00 H new ATOM 777 N SER A 50 13.984 -7.456 11.582 1.00 0.00 N ATOM 778 CA SER A 50 14.593 -6.468 10.699 1.00 0.00 C ATOM 779 C SER A 50 13.950 -6.506 9.316 1.00 0.00 C ATOM 780 O SER A 50 13.827 -7.568 8.706 1.00 0.00 O ATOM 781 CB SER A 50 16.098 -6.716 10.582 1.00 0.00 C ATOM 782 OG SER A 50 16.365 -7.867 9.800 1.00 0.00 O ATOM 0 H SER A 50 14.060 -8.419 11.254 1.00 0.00 H new ATOM 0 HA SER A 50 14.428 -5.481 11.130 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.579 -5.847 10.133 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.528 -6.840 11.576 1.00 0.00 H new ATOM 0 HG SER A 50 15.595 -8.057 9.224 1.00 0.00 H new ATOM 788 N ILE A 51 13.542 -5.339 8.828 1.00 0.00 N ATOM 789 CA ILE A 51 12.912 -5.238 7.517 1.00 0.00 C ATOM 790 C ILE A 51 13.900 -5.578 6.406 1.00 0.00 C ATOM 791 O ILE A 51 15.075 -5.214 6.472 1.00 0.00 O ATOM 792 CB ILE A 51 12.346 -3.828 7.272 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.280 -3.494 8.318 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.768 -3.725 5.868 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.964 -2.017 8.409 1.00 0.00 C ATOM 0 H ILE A 51 13.636 -4.451 9.320 1.00 0.00 H new ATOM 0 HA ILE A 51 12.092 -5.956 7.504 1.00 0.00 H new ATOM 0 HB ILE A 51 13.158 -3.106 7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.366 -4.039 8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.617 -3.846 9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.372 -2.722 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.551 -3.925 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.967 -4.454 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.201 -1.854 9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.867 -1.468 8.677 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.597 -1.663 7.446 1.00 0.00 H new ATOM 807 N LEU A 52 13.415 -6.274 5.384 1.00 0.00 N ATOM 808 CA LEU A 52 14.255 -6.661 4.255 1.00 0.00 C ATOM 809 C LEU A 52 14.046 -5.721 3.073 1.00 0.00 C ATOM 810 O LEU A 52 14.994 -5.364 2.375 1.00 0.00 O ATOM 811 CB LEU A 52 13.949 -8.101 3.837 1.00 0.00 C ATOM 812 CG LEU A 52 14.072 -9.159 4.933 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.269 -10.399 4.571 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.532 -9.516 5.168 1.00 0.00 C ATOM 0 H LEU A 52 12.445 -6.582 5.313 1.00 0.00 H new ATOM 0 HA LEU A 52 15.297 -6.593 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.935 -8.135 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.620 -8.372 3.022 1.00 0.00 H new ATOM 0 HG LEU A 52 13.667 -8.746 5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.369 -11.141 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.219 -10.131 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.643 -10.814 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.600 -10.271 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.963 -9.909 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.080 -8.625 5.474 1.00 0.00 H new ATOM 826 N GLY A 53 12.797 -5.320 2.856 1.00 0.00 N ATOM 827 CA GLY A 53 12.486 -4.422 1.759 1.00 0.00 C ATOM 828 C GLY A 53 11.208 -3.641 1.993 1.00 0.00 C ATOM 829 O GLY A 53 10.342 -4.069 2.757 1.00 0.00 O ATOM 0 H GLY A 53 11.995 -5.601 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.313 -3.726 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.393 -4.997 0.838 1.00 0.00 H new ATOM 833 N SER A 54 11.089 -2.492 1.335 1.00 0.00 N ATOM 834 CA SER A 54 9.910 -1.647 1.480 1.00 0.00 C ATOM 835 C SER A 54 9.247 -1.404 0.127 1.00 0.00 C ATOM 836 O SER A 54 9.904 -1.013 -0.837 1.00 0.00 O ATOM 837 CB SER A 54 10.289 -0.311 2.122 1.00 0.00 C ATOM 838 OG SER A 54 11.027 0.496 1.221 1.00 0.00 O ATOM 0 H SER A 54 11.795 -2.125 0.696 1.00 0.00 H new ATOM 0 HA SER A 54 9.200 -2.164 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.387 0.216 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.878 -0.490 3.021 1.00 0.00 H new ATOM 0 HG SER A 54 10.951 0.129 0.316 1.00 0.00 H new ATOM 844 N ILE A 55 7.940 -1.639 0.066 1.00 0.00 N ATOM 845 CA ILE A 55 7.187 -1.445 -1.167 1.00 0.00 C ATOM 846 C ILE A 55 6.245 -0.251 -1.054 1.00 0.00 C ATOM 847 O ILE A 55 5.346 -0.215 -0.214 1.00 0.00 O ATOM 848 CB ILE A 55 6.368 -2.698 -1.530 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.274 -3.930 -1.576 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.663 -2.502 -2.864 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.525 -5.236 -1.439 1.00 0.00 C ATOM 0 H ILE A 55 7.381 -1.964 0.855 1.00 0.00 H new ATOM 0 HA ILE A 55 7.916 -1.257 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 55 5.611 -2.855 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.823 -3.932 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.012 -3.858 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.088 -3.396 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.992 -1.646 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.403 -2.324 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.230 -6.066 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.998 -5.255 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.806 -5.330 -2.253 1.00 0.00 H new ATOM 863 N PRO A 56 6.454 0.752 -1.921 1.00 0.00 N ATOM 864 CA PRO A 56 5.632 1.965 -1.940 1.00 0.00 C ATOM 865 C PRO A 56 4.216 1.699 -2.438 1.00 0.00 C ATOM 866 O PRO A 56 4.017 0.979 -3.418 1.00 0.00 O ATOM 867 CB PRO A 56 6.377 2.883 -2.913 1.00 0.00 C ATOM 868 CG PRO A 56 7.134 1.958 -3.802 1.00 0.00 C ATOM 869 CD PRO A 56 7.508 0.777 -2.949 1.00 0.00 C ATOM 0 HA PRO A 56 5.507 2.388 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.684 3.501 -3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.047 3.560 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.526 1.648 -4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.022 2.444 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.527 -0.147 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.497 0.897 -2.508 1.00 0.00 H new ATOM 877 N LEU A 57 3.235 2.283 -1.759 1.00 0.00 N ATOM 878 CA LEU A 57 1.836 2.109 -2.134 1.00 0.00 C ATOM 879 C LEU A 57 1.160 3.458 -2.356 1.00 0.00 C ATOM 880 O LEU A 57 0.009 3.660 -1.965 1.00 0.00 O ATOM 881 CB LEU A 57 1.092 1.325 -1.051 1.00 0.00 C ATOM 882 CG LEU A 57 1.196 -0.198 -1.134 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.564 -0.844 0.088 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.541 -0.709 -2.409 1.00 0.00 C ATOM 0 H LEU A 57 3.382 2.881 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 57 1.802 1.549 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.468 1.642 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.038 1.600 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 57 2.251 -0.470 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.648 -1.928 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.078 -0.503 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.488 -0.564 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.625 -1.795 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.511 -0.426 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.040 -0.273 -3.274 1.00 0.00 H new ATOM 896 N LEU A 58 1.880 4.378 -2.988 1.00 0.00 N ATOM 897 CA LEU A 58 1.349 5.708 -3.266 1.00 0.00 C ATOM 898 C LEU A 58 0.657 5.746 -4.624 1.00 0.00 C ATOM 899 O LEU A 58 1.291 5.545 -5.661 1.00 0.00 O ATOM 900 CB LEU A 58 2.472 6.746 -3.224 1.00 0.00 C ATOM 901 CG LEU A 58 2.062 8.191 -3.507 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.154 8.714 -2.404 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.291 9.076 -3.653 1.00 0.00 C ATOM 0 H LEU A 58 2.833 4.227 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 58 0.613 5.946 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.938 6.708 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.234 6.457 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 58 1.509 8.214 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.872 9.744 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.257 8.097 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.681 8.676 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.979 10.101 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.872 9.048 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.904 8.714 -4.479 1.00 0.00 H new ATOM 915 N SER A 59 -0.646 6.006 -4.612 1.00 0.00 N ATOM 916 CA SER A 59 -1.425 6.069 -5.843 1.00 0.00 C ATOM 917 C SER A 59 -1.220 4.810 -6.680 1.00 0.00 C ATOM 918 O SER A 59 -1.097 4.877 -7.903 1.00 0.00 O ATOM 919 CB SER A 59 -1.035 7.305 -6.656 1.00 0.00 C ATOM 920 OG SER A 59 -1.504 8.491 -6.037 1.00 0.00 O ATOM 0 H SER A 59 -1.185 6.177 -3.763 1.00 0.00 H new ATOM 0 HA SER A 59 -2.479 6.138 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.049 7.349 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.448 7.228 -7.662 1.00 0.00 H new ATOM 0 HG SER A 59 -1.241 9.267 -6.575 1.00 0.00 H new ATOM 926 N PHE A 60 -1.184 3.662 -6.012 1.00 0.00 N ATOM 927 CA PHE A 60 -0.993 2.387 -6.693 1.00 0.00 C ATOM 928 C PHE A 60 -2.333 1.788 -7.112 1.00 0.00 C ATOM 929 O PHE A 60 -3.377 2.125 -6.555 1.00 0.00 O ATOM 930 CB PHE A 60 -0.245 1.407 -5.786 1.00 0.00 C ATOM 931 CG PHE A 60 1.249 1.488 -5.919 1.00 0.00 C ATOM 932 CD1 PHE A 60 1.936 2.612 -5.488 1.00 0.00 C ATOM 933 CD2 PHE A 60 1.966 0.441 -6.474 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.310 2.689 -5.610 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.341 0.512 -6.598 1.00 0.00 C ATOM 936 CZ PHE A 60 4.014 1.638 -6.164 1.00 0.00 C ATOM 0 H PHE A 60 -1.285 3.588 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.399 2.568 -7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.521 1.601 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.568 0.392 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.391 3.436 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.445 -0.442 -6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.834 3.571 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.888 -0.311 -7.033 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.088 1.696 -6.258 1.00 0.00 H new ATOM 946 N ARG A 61 -2.293 0.898 -8.099 1.00 0.00 N ATOM 947 CA ARG A 61 -3.503 0.254 -8.595 1.00 0.00 C ATOM 948 C ARG A 61 -3.532 -1.221 -8.206 1.00 0.00 C ATOM 949 O ARG A 61 -2.960 -2.067 -8.894 1.00 0.00 O ATOM 950 CB ARG A 61 -3.594 0.392 -10.116 1.00 0.00 C ATOM 951 CG ARG A 61 -4.768 -0.355 -10.727 1.00 0.00 C ATOM 952 CD ARG A 61 -4.690 -0.370 -12.245 1.00 0.00 C ATOM 953 NE ARG A 61 -6.012 -0.449 -12.861 1.00 0.00 N ATOM 954 CZ ARG A 61 -6.211 -0.765 -14.136 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.180 -1.030 -14.925 1.00 0.00 N ATOM 956 NH2 ARG A 61 -7.444 -0.816 -14.623 1.00 0.00 N ATOM 0 H ARG A 61 -1.436 0.607 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.360 0.750 -8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.674 1.448 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.669 0.025 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.784 -1.378 -10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.701 0.114 -10.414 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.182 0.531 -12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.088 -1.219 -12.569 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.827 -0.251 -12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.231 -0.992 -14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.336 -1.272 -15.903 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.240 -0.613 -14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.596 -1.059 -15.602 1.00 0.00 H new ATOM 970 N VAL A 62 -4.200 -1.523 -7.097 1.00 0.00 N ATOM 971 CA VAL A 62 -4.304 -2.895 -6.616 1.00 0.00 C ATOM 972 C VAL A 62 -5.617 -3.534 -7.056 1.00 0.00 C ATOM 973 O VAL A 62 -6.692 -2.973 -6.849 1.00 0.00 O ATOM 974 CB VAL A 62 -4.204 -2.960 -5.080 1.00 0.00 C ATOM 975 CG1 VAL A 62 -4.245 -4.404 -4.603 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.938 -2.267 -4.599 1.00 0.00 C ATOM 0 H VAL A 62 -4.677 -0.835 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.471 -3.447 -7.051 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.061 -2.437 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.173 -4.430 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.182 -4.864 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.409 -4.954 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.884 -2.322 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.067 -2.759 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.955 -1.222 -4.909 1.00 0.00 H new ATOM 986 N ALA A 63 -5.520 -4.712 -7.664 1.00 0.00 N ATOM 987 CA ALA A 63 -6.700 -5.429 -8.132 1.00 0.00 C ATOM 988 C ALA A 63 -6.333 -6.821 -8.635 1.00 0.00 C ATOM 989 O ALA A 63 -5.197 -7.064 -9.042 1.00 0.00 O ATOM 990 CB ALA A 63 -7.399 -4.637 -9.227 1.00 0.00 C ATOM 0 H ALA A 63 -4.637 -5.190 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.383 -5.544 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.278 -5.184 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.704 -3.667 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.716 -4.492 -10.064 1.00 0.00 H new ATOM 996 N ALA A 64 -7.301 -7.731 -8.603 1.00 0.00 N ATOM 997 CA ALA A 64 -7.079 -9.098 -9.056 1.00 0.00 C ATOM 998 C ALA A 64 -6.249 -9.124 -10.335 1.00 0.00 C ATOM 999 O ALA A 64 -6.511 -8.371 -11.273 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.409 -9.804 -9.273 1.00 0.00 C ATOM 0 H ALA A 64 -8.246 -7.546 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.522 -9.626 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.228 -10.824 -9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.967 -9.826 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.986 -9.269 -10.027 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.246 -9.996 -10.367 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.378 -10.121 -11.532 1.00 0.00 C ATOM 1008 C VAL A 65 -5.191 -10.327 -12.804 1.00 0.00 C ATOM 1009 O VAL A 65 -6.416 -10.437 -12.758 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.389 -11.291 -11.372 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.386 -10.997 -10.267 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.138 -12.586 -11.093 1.00 0.00 C ATOM 0 H VAL A 65 -5.015 -10.626 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.817 -9.189 -11.610 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.839 -11.409 -12.306 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.696 -11.835 -10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.827 -10.094 -10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.915 -10.851 -9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.424 -13.403 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.715 -12.482 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.812 -12.803 -11.922 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.502 -10.378 -13.939 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.161 -10.571 -15.225 1.00 0.00 C ATOM 1024 C GLN A 66 -4.722 -11.881 -15.871 1.00 0.00 C ATOM 1025 O GLN A 66 -3.676 -12.442 -15.546 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.854 -9.400 -16.160 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.777 -8.207 -15.965 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.810 -7.291 -17.173 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -6.583 -7.504 -18.107 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -4.969 -6.263 -17.159 1.00 0.00 N ATOM 0 H GLN A 66 -3.487 -10.288 -13.994 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.236 -10.616 -15.050 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.824 -9.081 -16.003 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.928 -9.741 -17.193 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.786 -8.563 -15.756 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.452 -7.640 -15.093 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.346 -6.125 -16.364 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.947 -5.612 -17.944 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.540 -12.382 -16.809 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.257 -13.632 -17.520 1.00 0.00 C ATOM 1041 C PRO A 67 -4.079 -13.499 -18.479 1.00 0.00 C ATOM 1042 O PRO A 67 -3.702 -14.459 -19.150 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.550 -13.900 -18.295 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.170 -12.557 -18.473 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.804 -11.766 -17.247 1.00 0.00 C ATOM 0 HA PRO A 67 -4.979 -14.435 -16.838 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.345 -14.372 -19.256 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.210 -14.571 -17.745 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.798 -12.072 -19.376 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.252 -12.637 -18.577 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.678 -10.708 -17.474 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.573 -11.837 -16.478 1.00 0.00 H new ATOM 1053 N SER A 68 -3.501 -12.303 -18.538 1.00 0.00 N ATOM 1054 CA SER A 68 -2.367 -12.045 -19.417 1.00 0.00 C ATOM 1055 C SER A 68 -1.144 -11.613 -18.614 1.00 0.00 C ATOM 1056 O SER A 68 -0.360 -10.775 -19.059 1.00 0.00 O ATOM 1057 CB SER A 68 -2.725 -10.966 -20.442 1.00 0.00 C ATOM 1058 OG SER A 68 -3.635 -11.462 -21.408 1.00 0.00 O ATOM 0 H SER A 68 -3.800 -11.498 -17.987 1.00 0.00 H new ATOM 0 HA SER A 68 -2.127 -12.970 -19.941 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.163 -10.107 -19.933 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.819 -10.616 -20.937 1.00 0.00 H new ATOM 0 HG SER A 68 -3.849 -10.753 -22.050 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.296 -19.024 -8.092 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.633 -18.572 -7.726 1.00 0.00 C ATOM 1146 C LYS A 74 -5.581 -17.638 -6.521 1.00 0.00 C ATOM 1147 O LYS A 74 -4.775 -17.829 -5.610 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.532 -19.772 -7.416 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.214 -20.353 -8.642 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.487 -19.596 -8.983 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.642 -20.014 -8.087 1.00 0.00 C ATOM 1152 NZ LYS A 74 -10.115 -21.391 -8.398 1.00 0.00 N ATOM 0 HA LYS A 74 -6.048 -18.023 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.935 -20.550 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.293 -19.469 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.531 -20.318 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.450 -21.402 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.313 -18.525 -8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.750 -19.776 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.329 -19.964 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.467 -19.311 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.059 -21.535 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.164 -21.517 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.453 -22.085 -7.996 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.446 -16.629 -6.523 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.499 -15.666 -5.428 1.00 0.00 C ATOM 1168 C HIS A 75 -5.244 -14.798 -5.406 1.00 0.00 C ATOM 1169 O HIS A 75 -4.649 -14.574 -4.352 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.655 -16.391 -4.091 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.470 -17.644 -4.180 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.629 -17.737 -4.921 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.287 -18.861 -3.617 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.124 -18.956 -4.809 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.328 -19.659 -4.024 1.00 0.00 N ATOM 0 H HIS A 75 -7.119 -16.457 -7.270 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.363 -15.020 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.667 -16.637 -3.703 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.120 -15.715 -3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.474 -19.151 -2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.027 -19.317 -5.280 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.464 -20.635 -3.763 1.00 0.00 H new ATOM 1184 N THR A 76 -4.847 -14.312 -6.578 1.00 0.00 N ATOM 1185 CA THR A 76 -3.662 -13.471 -6.694 1.00 0.00 C ATOM 1186 C THR A 76 -4.017 -12.095 -7.247 1.00 0.00 C ATOM 1187 O THR A 76 -4.930 -11.959 -8.061 1.00 0.00 O ATOM 1188 CB THR A 76 -2.600 -14.118 -7.602 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.389 -15.481 -7.215 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.286 -13.356 -7.527 1.00 0.00 C ATOM 0 H THR A 76 -5.329 -14.486 -7.460 1.00 0.00 H new ATOM 0 HA THR A 76 -3.252 -13.362 -5.690 1.00 0.00 H new ATOM 0 HB THR A 76 -2.963 -14.084 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.713 -15.886 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.552 -13.832 -8.177 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.443 -12.327 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.920 -13.362 -6.500 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.288 -11.077 -6.801 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.527 -9.711 -7.252 1.00 0.00 C ATOM 1200 C PHE A 77 -2.219 -9.034 -7.651 1.00 0.00 C ATOM 1201 O PHE A 77 -1.135 -9.479 -7.272 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.217 -8.902 -6.152 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.596 -9.080 -4.796 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.772 -10.258 -4.088 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.836 -8.070 -4.230 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.201 -10.426 -2.841 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.262 -8.232 -2.983 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.446 -9.411 -2.287 1.00 0.00 C ATOM 0 H PHE A 77 -2.527 -11.172 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.177 -9.752 -8.126 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.191 -7.845 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.266 -9.192 -6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.363 -11.054 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.690 -7.146 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.345 -11.350 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.670 -7.437 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.000 -9.539 -1.312 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.328 -7.956 -8.420 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.156 -7.216 -8.872 1.00 0.00 C ATOM 1220 C LYS A 78 -1.238 -5.754 -8.445 1.00 0.00 C ATOM 1221 O LYS A 78 -2.323 -5.177 -8.379 1.00 0.00 O ATOM 1222 CB LYS A 78 -1.026 -7.307 -10.394 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.185 -6.672 -11.143 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.786 -6.270 -12.553 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.927 -5.575 -13.279 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.592 -5.300 -14.704 1.00 0.00 N ATOM 0 H LYS A 78 -3.217 -7.575 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.275 -7.662 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.098 -6.824 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.950 -8.356 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.019 -7.373 -11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.534 -5.794 -10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.922 -5.607 -12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.483 -7.155 -13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.821 -6.197 -13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.162 -4.638 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.395 -4.826 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.754 -4.686 -14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.393 -6.196 -15.193 1.00 0.00 H new ATOM 1240 N ALA A 79 -0.084 -5.161 -8.156 1.00 0.00 N ATOM 1241 CA ALA A 79 -0.026 -3.766 -7.738 1.00 0.00 C ATOM 1242 C ALA A 79 0.903 -2.961 -8.641 1.00 0.00 C ATOM 1243 O ALA A 79 2.125 -3.069 -8.544 1.00 0.00 O ATOM 1244 CB ALA A 79 0.428 -3.667 -6.290 1.00 0.00 C ATOM 0 H ALA A 79 0.823 -5.625 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.028 -3.345 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.467 -2.619 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.275 -4.201 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.419 -4.110 -6.188 1.00 0.00 H new ATOM 1250 N GLU A 80 0.315 -2.155 -9.520 1.00 0.00 N ATOM 1251 CA GLU A 80 1.091 -1.334 -10.441 1.00 0.00 C ATOM 1252 C GLU A 80 0.897 0.150 -10.143 1.00 0.00 C ATOM 1253 O GLU A 80 -0.224 0.609 -9.920 1.00 0.00 O ATOM 1254 CB GLU A 80 0.689 -1.631 -11.887 1.00 0.00 C ATOM 1255 CG GLU A 80 1.396 -0.755 -12.908 1.00 0.00 C ATOM 1256 CD GLU A 80 2.878 -1.061 -13.012 1.00 0.00 C ATOM 1257 OE1 GLU A 80 3.609 -0.797 -12.034 1.00 0.00 O ATOM 1258 OE2 GLU A 80 3.306 -1.565 -14.071 1.00 0.00 O ATOM 0 H GLU A 80 -0.696 -2.054 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 80 2.144 -1.580 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.904 -2.677 -12.107 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.388 -1.498 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.931 -0.893 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.263 0.292 -12.637 1.00 0.00 H new ATOM 1265 N HIS A 81 1.997 0.896 -10.139 1.00 0.00 N ATOM 1266 CA HIS A 81 1.949 2.329 -9.868 1.00 0.00 C ATOM 1267 C HIS A 81 2.309 3.130 -11.115 1.00 0.00 C ATOM 1268 O HIS A 81 3.352 3.781 -11.166 1.00 0.00 O ATOM 1269 CB HIS A 81 2.900 2.685 -8.726 1.00 0.00 C ATOM 1270 CG HIS A 81 3.164 4.154 -8.602 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.237 4.670 -7.906 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.489 5.219 -9.094 1.00 0.00 C ATOM 1273 CE1 HIS A 81 4.208 5.990 -7.972 1.00 0.00 C ATOM 1274 NE2 HIS A 81 3.158 6.348 -8.688 1.00 0.00 N ATOM 0 H HIS A 81 2.933 0.532 -10.320 1.00 0.00 H new ATOM 0 HA HIS A 81 0.931 2.585 -9.575 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.482 2.319 -7.788 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.846 2.166 -8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.592 5.187 -9.694 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.922 6.661 -7.518 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.887 7.307 -8.905 1.00 0.00 H new ATOM 1316 N ARG A 85 6.337 0.177 -10.852 1.00 0.00 N ATOM 1317 CA ARG A 85 6.655 -1.194 -10.473 1.00 0.00 C ATOM 1318 C ARG A 85 5.383 -2.016 -10.288 1.00 0.00 C ATOM 1319 O ARG A 85 4.383 -1.525 -9.763 1.00 0.00 O ATOM 1320 CB ARG A 85 7.478 -1.210 -9.183 1.00 0.00 C ATOM 1321 CG ARG A 85 8.354 -2.444 -9.036 1.00 0.00 C ATOM 1322 CD ARG A 85 9.634 -2.319 -9.846 1.00 0.00 C ATOM 1323 NE ARG A 85 10.182 -3.623 -10.210 1.00 0.00 N ATOM 1324 CZ ARG A 85 10.983 -3.819 -11.251 1.00 0.00 C ATOM 1325 NH1 ARG A 85 11.328 -2.801 -12.027 1.00 0.00 N ATOM 1326 NH2 ARG A 85 11.441 -5.035 -11.517 1.00 0.00 N ATOM 0 HA ARG A 85 7.241 -1.640 -11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.108 -0.321 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.802 -1.150 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.601 -2.593 -7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.801 -3.325 -9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.436 -1.744 -10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.374 -1.763 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 85 9.936 -4.427 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.978 -1.864 -11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.943 -2.954 -12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.178 -5.821 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.056 -5.185 -12.317 1.00 0.00 H new ATOM 1340 N THR A 86 5.428 -3.272 -10.723 1.00 0.00 N ATOM 1341 CA THR A 86 4.279 -4.162 -10.607 1.00 0.00 C ATOM 1342 C THR A 86 4.572 -5.315 -9.654 1.00 0.00 C ATOM 1343 O THR A 86 5.293 -6.251 -10.000 1.00 0.00 O ATOM 1344 CB THR A 86 3.872 -4.734 -11.978 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.950 -3.712 -12.978 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.459 -5.297 -11.931 1.00 0.00 C ATOM 0 H THR A 86 6.247 -3.695 -11.159 1.00 0.00 H new ATOM 0 HA THR A 86 3.456 -3.567 -10.211 1.00 0.00 H new ATOM 0 HB THR A 86 4.560 -5.541 -12.229 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.691 -4.084 -13.847 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.193 -5.695 -12.910 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.409 -6.094 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.761 -4.505 -11.660 1.00 0.00 H new ATOM 1354 N TYR A 87 4.008 -5.242 -8.454 1.00 0.00 N ATOM 1355 CA TYR A 87 4.210 -6.280 -7.450 1.00 0.00 C ATOM 1356 C TYR A 87 3.090 -7.315 -7.503 1.00 0.00 C ATOM 1357 O TYR A 87 1.914 -6.968 -7.618 1.00 0.00 O ATOM 1358 CB TYR A 87 4.281 -5.661 -6.053 1.00 0.00 C ATOM 1359 CG TYR A 87 5.430 -4.693 -5.878 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.314 -3.368 -6.279 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.631 -5.104 -5.313 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.361 -2.480 -6.121 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.682 -4.223 -5.150 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.542 -2.912 -5.556 1.00 0.00 C ATOM 1365 OH TYR A 87 8.588 -2.032 -5.397 1.00 0.00 O ATOM 0 H TYR A 87 3.407 -4.475 -8.152 1.00 0.00 H new ATOM 0 HA TYR A 87 5.154 -6.781 -7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.345 -5.142 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.373 -6.458 -5.316 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.390 -3.026 -6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.745 -6.130 -4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.255 -1.453 -6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.608 -4.558 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 87 9.346 -2.496 -4.983 1.00 0.00 H new ATOM 1375 N PHE A 88 3.464 -8.587 -7.418 1.00 0.00 N ATOM 1376 CA PHE A 88 2.493 -9.674 -7.457 1.00 0.00 C ATOM 1377 C PHE A 88 2.428 -10.394 -6.113 1.00 0.00 C ATOM 1378 O PHE A 88 3.457 -10.697 -5.509 1.00 0.00 O ATOM 1379 CB PHE A 88 2.851 -10.667 -8.564 1.00 0.00 C ATOM 1380 CG PHE A 88 2.570 -10.151 -9.946 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.273 -10.102 -10.432 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.603 -9.716 -10.760 1.00 0.00 C ATOM 1383 CE1 PHE A 88 1.011 -9.627 -11.703 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.347 -9.239 -12.032 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.050 -9.197 -12.505 1.00 0.00 C ATOM 0 H PHE A 88 4.433 -8.891 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 88 1.513 -9.245 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.909 -10.919 -8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.292 -11.589 -8.409 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.457 -10.439 -9.810 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.620 -9.750 -10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.005 -9.592 -12.069 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.161 -8.899 -12.656 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.849 -8.829 -13.500 1.00 0.00 H new ATOM 1395 N PHE A 89 1.212 -10.664 -5.651 1.00 0.00 N ATOM 1396 CA PHE A 89 1.012 -11.347 -4.378 1.00 0.00 C ATOM 1397 C PHE A 89 -0.113 -12.372 -4.482 1.00 0.00 C ATOM 1398 O PHE A 89 -1.240 -12.038 -4.846 1.00 0.00 O ATOM 1399 CB PHE A 89 0.694 -10.334 -3.276 1.00 0.00 C ATOM 1400 CG PHE A 89 1.657 -9.182 -3.225 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.960 -9.370 -2.792 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.260 -7.912 -3.609 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.848 -8.312 -2.743 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.143 -6.850 -3.563 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.439 -7.051 -3.130 1.00 0.00 C ATOM 0 H PHE A 89 0.350 -10.420 -6.139 1.00 0.00 H new ATOM 0 HA PHE A 89 1.934 -11.870 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.314 -9.948 -3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.698 -10.844 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.285 -10.354 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.248 -7.750 -3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.860 -8.471 -2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.820 -5.865 -3.865 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.132 -6.223 -3.094 1.00 0.00 H new ATOM 1415 N SER A 90 0.202 -13.622 -4.159 1.00 0.00 N ATOM 1416 CA SER A 90 -0.780 -14.698 -4.219 1.00 0.00 C ATOM 1417 C SER A 90 -1.240 -15.094 -2.819 1.00 0.00 C ATOM 1418 O SER A 90 -0.431 -15.471 -1.972 1.00 0.00 O ATOM 1419 CB SER A 90 -0.192 -15.914 -4.938 1.00 0.00 C ATOM 1420 OG SER A 90 -1.130 -16.975 -4.996 1.00 0.00 O ATOM 0 H SER A 90 1.130 -13.915 -3.853 1.00 0.00 H new ATOM 0 HA SER A 90 -1.644 -14.337 -4.777 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.108 -15.634 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.707 -16.247 -4.420 1.00 0.00 H new ATOM 0 HG SER A 90 -1.782 -16.797 -5.706 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.545 -15.004 -2.585 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.114 -15.354 -1.289 1.00 0.00 C ATOM 1428 C ALA A 91 -3.563 -16.811 -1.262 1.00 0.00 C ATOM 1429 O ALA A 91 -4.224 -17.283 -2.187 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.280 -14.434 -0.959 1.00 0.00 C ATOM 0 H ALA A 91 -3.228 -14.692 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.339 -15.226 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.695 -14.707 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.931 -13.402 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.050 -14.534 -1.724 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.199 -17.518 -0.197 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.565 -18.923 -0.052 1.00 0.00 C ATOM 1438 C GLU A 92 -5.072 -19.110 -0.194 1.00 0.00 C ATOM 1439 O GLU A 92 -5.533 -20.030 -0.870 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.099 -19.456 1.304 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.604 -19.311 1.535 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.086 -20.246 2.611 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.647 -21.352 2.757 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.120 -19.871 3.307 1.00 0.00 O ATOM 0 H GLU A 92 -2.652 -17.142 0.577 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.071 -19.485 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.633 -18.929 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.370 -20.509 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.075 -19.508 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.382 -18.282 1.816 1.00 0.00 H new ATOM 1451 N SER A 93 -5.835 -18.232 0.448 1.00 0.00 N ATOM 1452 CA SER A 93 -7.291 -18.303 0.398 1.00 0.00 C ATOM 1453 C SER A 93 -7.862 -17.154 -0.429 1.00 0.00 C ATOM 1454 O SER A 93 -7.285 -16.070 -0.515 1.00 0.00 O ATOM 1455 CB SER A 93 -7.874 -18.267 1.812 1.00 0.00 C ATOM 1456 OG SER A 93 -7.467 -19.400 2.559 1.00 0.00 O ATOM 0 H SER A 93 -5.469 -17.463 1.009 1.00 0.00 H new ATOM 0 HA SER A 93 -7.568 -19.244 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.551 -17.358 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.962 -18.233 1.760 1.00 0.00 H new ATOM 0 HG SER A 93 -7.851 -19.353 3.459 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.025 -17.397 -1.053 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.701 -16.396 -1.883 1.00 0.00 C ATOM 1464 C PRO A 94 -10.270 -15.247 -1.059 1.00 0.00 C ATOM 1465 O PRO A 94 -10.433 -14.134 -1.558 1.00 0.00 O ATOM 1466 CB PRO A 94 -10.830 -17.189 -2.546 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.095 -18.321 -1.614 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.769 -18.666 -0.994 1.00 0.00 C ATOM 0 HA PRO A 94 -9.018 -15.926 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.719 -16.573 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.535 -17.548 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.820 -18.037 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.511 -19.176 -2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.884 -19.017 0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.260 -19.456 -1.546 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.569 -15.524 0.207 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.121 -14.511 1.100 1.00 0.00 C ATOM 1478 C GLU A 95 -10.075 -13.450 1.431 1.00 0.00 C ATOM 1479 O GLU A 95 -10.406 -12.286 1.652 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.631 -15.160 2.388 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.571 -15.956 3.131 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.017 -16.366 4.521 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.519 -15.497 5.264 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.864 -17.557 4.865 1.00 0.00 O ATOM 0 H GLU A 95 -10.438 -16.440 0.637 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.954 -14.028 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.018 -14.383 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.465 -15.819 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.322 -16.848 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.661 -15.361 3.206 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.812 -13.863 1.464 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.718 -12.948 1.770 1.00 0.00 C ATOM 1493 C GLU A 96 -7.399 -12.061 0.570 1.00 0.00 C ATOM 1494 O GLU A 96 -7.277 -10.844 0.702 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.471 -13.731 2.186 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.422 -14.055 3.669 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.440 -15.165 3.992 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.639 -16.296 3.500 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.473 -14.903 4.737 1.00 0.00 O ATOM 0 H GLU A 96 -8.521 -14.824 1.283 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.031 -12.311 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.430 -14.661 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.585 -13.155 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.146 -13.158 4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.417 -14.346 4.007 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.265 -12.681 -0.598 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.959 -11.948 -1.820 1.00 0.00 C ATOM 1508 C GLN A 97 -7.803 -10.682 -1.922 1.00 0.00 C ATOM 1509 O GLN A 97 -7.270 -9.577 -2.023 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.198 -12.834 -3.044 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.104 -12.086 -4.364 1.00 0.00 C ATOM 1512 CD GLN A 97 -7.975 -12.697 -5.445 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -8.907 -13.448 -5.156 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.674 -12.378 -6.698 1.00 0.00 N ATOM 0 H GLN A 97 -7.364 -13.688 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.908 -11.660 -1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.470 -13.645 -3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.184 -13.291 -2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.397 -11.047 -4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.067 -12.078 -4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.893 -11.752 -6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.224 -12.759 -7.468 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.121 -10.851 -1.894 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.038 -9.721 -1.984 1.00 0.00 C ATOM 1525 C GLU A 98 -9.783 -8.723 -0.858 1.00 0.00 C ATOM 1526 O GLU A 98 -9.606 -7.529 -1.100 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.488 -10.206 -1.932 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.863 -11.126 -3.081 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.055 -12.007 -2.759 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -12.945 -12.835 -1.830 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -14.096 -11.869 -3.434 1.00 0.00 O ATOM 0 H GLU A 98 -9.578 -11.759 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.865 -9.220 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.654 -10.729 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.152 -9.342 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.087 -10.526 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.009 -11.755 -3.332 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.767 -9.221 0.374 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.533 -8.375 1.537 1.00 0.00 C ATOM 1540 C ALA A 99 -8.333 -7.460 1.318 1.00 0.00 C ATOM 1541 O ALA A 99 -8.410 -6.254 1.552 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.327 -9.230 2.779 1.00 0.00 C ATOM 0 H ALA A 99 -9.913 -10.207 0.592 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.413 -7.748 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.153 -8.585 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.215 -9.837 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.465 -9.881 2.634 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.226 -8.041 0.870 1.00 0.00 N ATOM 1549 CA TRP A 100 -6.009 -7.276 0.620 1.00 0.00 C ATOM 1550 C TRP A 100 -6.258 -6.176 -0.405 1.00 0.00 C ATOM 1551 O TRP A 100 -6.079 -4.993 -0.116 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.892 -8.201 0.134 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.160 -8.885 1.248 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.367 -10.155 1.707 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.105 -8.336 2.045 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.504 -10.428 2.741 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.719 -9.328 2.967 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.448 -7.103 2.068 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.706 -9.123 3.900 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.443 -6.900 2.995 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -1.080 -7.906 3.900 1.00 0.00 C ATOM 0 H TRP A 100 -7.146 -9.038 0.672 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.703 -6.810 1.557 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.317 -8.955 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.182 -7.622 -0.456 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.101 -10.843 1.315 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.456 -11.307 3.257 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.721 -6.322 1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.424 -9.897 4.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.929 -5.950 3.022 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.290 -7.717 4.612 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.672 -6.574 -1.604 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.947 -5.620 -2.672 1.00 0.00 C ATOM 1574 C ILE A 101 -7.579 -4.346 -2.121 1.00 0.00 C ATOM 1575 O ILE A 101 -7.316 -3.249 -2.614 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.879 -6.223 -3.739 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.169 -7.352 -4.489 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.342 -5.145 -4.708 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -8.085 -8.146 -5.393 1.00 0.00 C ATOM 0 H ILE A 101 -6.824 -7.550 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.990 -5.378 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.756 -6.638 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.361 -6.929 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.712 -8.027 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.000 -5.587 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.882 -4.372 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.476 -4.703 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.514 -8.929 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.879 -8.598 -4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.523 -7.484 -6.140 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.412 -4.500 -1.097 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.081 -3.361 -0.479 1.00 0.00 C ATOM 1593 C GLN A 102 -8.208 -2.741 0.607 1.00 0.00 C ATOM 1594 O GLN A 102 -8.012 -1.527 0.641 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.424 -3.791 0.113 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.421 -4.272 -0.929 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.284 -3.151 -1.473 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -11.972 -1.972 -1.301 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.377 -3.513 -2.135 1.00 0.00 N ATOM 0 H GLN A 102 -8.640 -5.402 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.256 -2.612 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.254 -4.588 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.857 -2.952 0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.882 -4.742 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -12.061 -5.037 -0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.597 -4.502 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.996 -2.802 -2.525 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.687 -3.583 1.493 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.835 -3.118 2.580 1.00 0.00 C ATOM 1610 C ALA A 103 -5.668 -2.293 2.048 1.00 0.00 C ATOM 1611 O ALA A 103 -5.480 -1.142 2.441 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.321 -4.299 3.391 1.00 0.00 C ATOM 0 H ALA A 103 -7.840 -4.591 1.479 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.433 -2.478 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.686 -3.936 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.165 -4.847 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.744 -4.960 2.745 1.00 0.00 H new ATOM 1618 N MET A 104 -4.888 -2.888 1.152 1.00 0.00 N ATOM 1619 CA MET A 104 -3.740 -2.206 0.565 1.00 0.00 C ATOM 1620 C MET A 104 -4.182 -1.239 -0.528 1.00 0.00 C ATOM 1621 O MET A 104 -3.491 -0.266 -0.826 1.00 0.00 O ATOM 1622 CB MET A 104 -2.753 -3.225 -0.007 1.00 0.00 C ATOM 1623 CG MET A 104 -3.259 -3.926 -1.257 1.00 0.00 C ATOM 1624 SD MET A 104 -1.933 -4.688 -2.211 1.00 0.00 S ATOM 1625 CE MET A 104 -1.162 -5.713 -0.961 1.00 0.00 C ATOM 0 H MET A 104 -5.030 -3.841 0.816 1.00 0.00 H new ATOM 0 HA MET A 104 -3.247 -1.635 1.352 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.815 -2.720 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.533 -3.973 0.755 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.982 -4.690 -0.973 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.786 -3.207 -1.884 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.299 -6.223 -1.390 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.838 -5.089 -0.128 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.879 -6.452 -0.603 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.339 -1.514 -1.123 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.853 -0.659 -2.177 1.00 0.00 C ATOM 1637 C GLY A 105 -6.262 0.708 -1.667 1.00 0.00 C ATOM 1638 O GLY A 105 -5.986 1.723 -2.306 1.00 0.00 O ATOM 0 H GLY A 105 -5.929 -2.314 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.093 -0.543 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.712 -1.141 -2.645 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.921 0.735 -0.513 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.371 1.989 0.080 1.00 0.00 C ATOM 1644 C GLU A 106 -6.190 2.918 0.347 1.00 0.00 C ATOM 1645 O GLU A 106 -6.259 4.119 0.085 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.127 1.721 1.383 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.234 1.694 2.611 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.019 1.551 3.901 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.050 2.240 4.046 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.602 0.752 4.764 1.00 0.00 O ATOM 0 H GLU A 106 -7.155 -0.096 0.030 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.042 2.476 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.889 2.489 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.647 0.767 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.530 0.867 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.646 2.611 2.648 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.107 2.354 0.871 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.911 3.130 1.173 1.00 0.00 C ATOM 1659 C ALA A 107 -3.346 3.779 -0.086 1.00 0.00 C ATOM 1660 O ALA A 107 -2.729 4.842 -0.024 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.860 2.247 1.830 1.00 0.00 C ATOM 0 H ALA A 107 -5.033 1.362 1.095 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.189 3.923 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.972 2.840 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.259 1.834 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.595 1.433 1.155 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.560 3.132 -1.227 1.00 0.00 N ATOM 1668 CA ALA A 108 -3.073 3.647 -2.501 1.00 0.00 C ATOM 1669 C ALA A 108 -4.028 4.690 -3.072 1.00 0.00 C ATOM 1670 O ALA A 108 -3.598 5.688 -3.650 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.877 2.509 -3.491 1.00 0.00 C ATOM 0 H ALA A 108 -4.068 2.250 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.112 4.130 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.513 2.909 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.150 1.801 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.827 2.000 -3.653 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.325 4.451 -2.908 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.340 5.369 -3.409 1.00 0.00 C ATOM 1679 C ARG A 109 -6.463 6.591 -2.505 1.00 0.00 C ATOM 1680 O ARG A 109 -5.847 6.653 -1.440 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.692 4.660 -3.513 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.521 4.741 -2.241 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.779 3.894 -2.342 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.899 4.642 -2.906 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.109 4.778 -4.211 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -10.279 4.219 -5.081 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.151 5.474 -4.648 1.00 0.00 N ATOM 0 H ARG A 109 -5.697 3.629 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.034 5.702 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.259 5.096 -4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.525 3.612 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.923 4.406 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.794 5.779 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.579 3.020 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.050 3.528 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.556 5.084 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.477 3.683 -4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.442 4.325 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.792 5.905 -3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.311 5.578 -5.650 1.00 0.00 H new