USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 Single : A 5 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= 0.33 (180deg=-0.554) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 64:sc= -0.0128 USER MOD Single : A 26 THR OG1 : rot 170:sc= -3.55! USER MOD Single : A 27 GLN : amide:sc= -1.28 K(o=-1.3,f=-8.2!) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.4 F(o=-2.6!,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0375) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= -0.0183 (180deg=-0.884) USER MOD Single : A 37 SER OG : rot 51:sc= 0.0761 USER MOD Single : A 38 SER OG : rot 177:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.14 K(o=-0.14,f=-3!) USER MOD Single : A 42 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.18) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -59:sc= 0.995 USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 64 THR OG1 : rot 59:sc= 0.644 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 68 THR OG1 : rot 54:sc= 0.84 USER MOD Single : A 69 MET CE :methyl -146:sc= -0.0998 (180deg=-1.07) USER MOD Single : A 72 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.7) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= 0.118 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -146:sc= -1.59 (180deg=-3.5!) USER MOD Single : A 83 ASN :FLIP amide:sc= -3.62! C(o=-6.5!,f=-3.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -58:sc= 0.231 USER MOD Single : A 96 ASN : amide:sc= -0.0725 X(o=-0.073,f=-0.3) USER MOD Single : A 100 GLN : amide:sc= -2.08! C(o=-2.1!,f=-3.9!) USER MOD Single : A 101 THR OG1 : rot -96:sc= 0.252 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 90:sc= -1.01 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.129) USER MOD Single : A 114 LYS NZ :NH3+ -166:sc= -0.178 (180deg=-0.657) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 11.574 -11.851 3.856 1.00 0.00 N ATOM 14 CA PHE A 2 10.479 -10.944 4.160 1.00 0.00 C ATOM 15 C PHE A 2 10.213 -11.220 5.666 1.00 0.00 C ATOM 16 O PHE A 2 9.152 -11.649 6.081 1.00 0.00 O ATOM 17 CB PHE A 2 9.225 -11.262 3.389 1.00 0.00 C ATOM 18 CG PHE A 2 9.065 -10.480 2.086 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.099 -10.453 1.161 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.903 -9.803 1.827 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.905 -9.731 0.005 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.848 -9.119 0.625 1.00 0.00 C ATOM 23 CZ PHE A 2 8.892 -9.118 -0.258 1.00 0.00 C ATOM 0 HA PHE A 2 10.734 -9.915 3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.214 -12.328 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.363 -11.063 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.024 -10.980 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.076 -9.803 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.709 -9.709 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.952 -8.569 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.815 -8.573 -1.187 1.00 0.00 H new ATOM 33 N ASP A 3 11.316 -10.919 6.398 1.00 0.00 N ATOM 34 CA ASP A 3 11.218 -11.131 7.827 1.00 0.00 C ATOM 35 C ASP A 3 11.980 -10.082 8.585 1.00 0.00 C ATOM 36 O ASP A 3 12.878 -10.379 9.373 1.00 0.00 O ATOM 37 CB ASP A 3 11.749 -12.534 8.156 1.00 0.00 C ATOM 38 CG ASP A 3 10.638 -13.575 8.232 1.00 0.00 C ATOM 39 OD1 ASP A 3 9.604 -13.333 8.859 1.00 0.00 O ATOM 40 OD2 ASP A 3 10.821 -14.653 7.639 1.00 0.00 O ATOM 0 H ASP A 3 12.203 -10.560 6.044 1.00 0.00 H new ATOM 0 HA ASP A 3 10.174 -11.053 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.471 -12.833 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.280 -12.504 9.107 1.00 0.00 H new ATOM 45 N GLY A 4 11.624 -8.799 8.356 1.00 0.00 N ATOM 46 CA GLY A 4 12.399 -7.817 9.120 1.00 0.00 C ATOM 47 C GLY A 4 11.619 -6.510 9.007 1.00 0.00 C ATOM 48 O GLY A 4 10.594 -6.525 8.300 1.00 0.00 O ATOM 0 H GLY A 4 10.898 -8.453 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.504 -8.123 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.406 -7.710 8.716 1.00 0.00 H new ATOM 52 N THR A 5 12.090 -5.447 9.672 1.00 0.00 N ATOM 53 CA THR A 5 11.278 -4.228 9.500 1.00 0.00 C ATOM 54 C THR A 5 11.717 -3.678 8.152 1.00 0.00 C ATOM 55 O THR A 5 12.618 -4.313 7.575 1.00 0.00 O ATOM 56 CB THR A 5 11.806 -3.224 10.528 1.00 0.00 C ATOM 57 OG1 THR A 5 13.196 -3.129 10.448 1.00 0.00 O ATOM 58 CG2 THR A 5 11.375 -3.601 11.968 1.00 0.00 C ATOM 0 H THR A 5 12.920 -5.393 10.263 1.00 0.00 H new ATOM 0 HA THR A 5 10.205 -4.401 9.589 1.00 0.00 H new ATOM 0 HB THR A 5 11.370 -2.253 10.294 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.518 -2.482 11.110 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.768 -2.866 12.670 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.287 -3.616 12.030 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.766 -4.587 12.219 1.00 0.00 H new ATOM 66 N TRP A 6 11.145 -2.580 7.648 1.00 0.00 N ATOM 67 CA TRP A 6 11.449 -1.948 6.419 1.00 0.00 C ATOM 68 C TRP A 6 11.183 -0.435 6.463 1.00 0.00 C ATOM 69 O TRP A 6 10.551 -0.048 7.409 1.00 0.00 O ATOM 70 CB TRP A 6 10.489 -2.468 5.307 1.00 0.00 C ATOM 71 CG TRP A 6 10.715 -3.864 4.865 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.209 -4.967 5.576 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.395 -4.520 3.769 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.530 -6.083 5.001 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.278 -5.918 3.861 1.00 0.00 C ATOM 76 CE3 TRP A 6 12.108 -4.081 2.695 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.817 -6.781 2.983 1.00 0.00 C ATOM 78 CZ3 TRP A 6 12.671 -4.953 1.779 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.540 -6.323 1.907 1.00 0.00 C ATOM 0 H TRP A 6 10.402 -2.094 8.151 1.00 0.00 H new ATOM 0 HA TRP A 6 12.500 -2.162 6.227 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.464 -2.382 5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.578 -1.813 4.440 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.628 -4.893 6.484 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.254 -6.997 5.361 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.238 -3.018 2.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.681 -7.843 3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.226 -4.553 0.944 1.00 0.00 H new ATOM 0 HH2 TRP A 6 12.985 -7.002 1.195 1.00 0.00 H new ATOM 90 N LYS A 7 11.662 0.280 5.462 1.00 0.00 N ATOM 91 CA LYS A 7 11.456 1.684 5.359 1.00 0.00 C ATOM 92 C LYS A 7 11.786 2.571 6.568 1.00 0.00 C ATOM 93 O LYS A 7 12.172 2.099 7.598 1.00 0.00 O ATOM 94 CB LYS A 7 9.923 1.932 5.122 1.00 0.00 C ATOM 95 CG LYS A 7 9.733 1.290 3.774 1.00 0.00 C ATOM 96 CD LYS A 7 8.525 1.871 3.005 1.00 0.00 C ATOM 97 CE LYS A 7 7.468 2.483 3.874 1.00 0.00 C ATOM 98 NZ LYS A 7 6.365 3.146 3.133 1.00 0.00 N ATOM 0 H LYS A 7 12.209 -0.117 4.698 1.00 0.00 H new ATOM 0 HA LYS A 7 12.147 1.966 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.306 1.467 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.674 2.993 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.637 1.426 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.595 0.217 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.885 2.626 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.073 1.077 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.045 1.706 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.936 3.214 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.541 3.253 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.678 4.084 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.102 2.566 2.310 1.00 0.00 H new ATOM 112 N VAL A 8 11.513 3.818 6.173 1.00 0.00 N ATOM 113 CA VAL A 8 11.556 5.009 6.967 1.00 0.00 C ATOM 114 C VAL A 8 12.528 5.163 8.080 1.00 0.00 C ATOM 115 O VAL A 8 12.669 4.623 9.159 1.00 0.00 O ATOM 116 CB VAL A 8 10.079 5.055 7.483 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.891 4.971 8.978 1.00 0.00 C ATOM 118 CG2 VAL A 8 9.414 6.374 7.115 1.00 0.00 C ATOM 0 H VAL A 8 11.237 4.016 5.211 1.00 0.00 H new ATOM 0 HA VAL A 8 11.930 5.828 6.352 1.00 0.00 H new ATOM 0 HB VAL A 8 9.648 4.173 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.828 5.013 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.308 4.033 9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.402 5.807 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.389 6.380 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.967 7.198 7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.409 6.489 6.031 1.00 0.00 H new ATOM 300 N LEU A 21 5.057 6.218 7.510 1.00 0.00 N ATOM 301 CA LEU A 21 4.779 4.778 7.416 1.00 0.00 C ATOM 302 C LEU A 21 6.101 4.059 7.710 1.00 0.00 C ATOM 303 O LEU A 21 6.951 4.766 8.237 1.00 0.00 O ATOM 304 CB LEU A 21 4.239 4.500 6.017 1.00 0.00 C ATOM 305 CG LEU A 21 3.919 5.684 5.109 1.00 0.00 C ATOM 306 CD1 LEU A 21 5.222 6.180 4.435 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.979 5.355 3.922 1.00 0.00 C ATOM 0 HA LEU A 21 4.031 4.425 8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.966 3.873 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.329 3.910 6.125 1.00 0.00 H new ATOM 0 HG LEU A 21 3.437 6.408 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.997 7.026 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.933 6.490 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.655 5.374 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.808 6.256 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.439 4.592 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.027 4.985 4.303 1.00 0.00 H new ATOM 319 N LYS A 22 6.083 2.798 7.337 1.00 0.00 N ATOM 320 CA LYS A 22 7.125 1.824 7.457 1.00 0.00 C ATOM 321 C LYS A 22 6.496 0.541 6.816 1.00 0.00 C ATOM 322 O LYS A 22 5.349 0.602 6.474 1.00 0.00 O ATOM 323 CB LYS A 22 7.273 1.297 8.919 1.00 0.00 C ATOM 324 CG LYS A 22 6.091 1.591 9.866 1.00 0.00 C ATOM 325 CD LYS A 22 6.382 2.146 11.247 1.00 0.00 C ATOM 326 CE LYS A 22 7.812 2.048 11.774 1.00 0.00 C ATOM 327 NZ LYS A 22 7.827 1.840 13.212 1.00 0.00 N ATOM 0 H LYS A 22 5.252 2.399 6.900 1.00 0.00 H new ATOM 0 HA LYS A 22 8.048 2.249 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.424 0.218 8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.175 1.730 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.430 2.295 9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.532 0.664 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.096 3.198 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.730 1.636 11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.330 1.226 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.356 2.960 11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.811 1.777 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.353 2.637 13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.328 0.957 13.440 1.00 0.00 H new ATOM 341 N LEU A 23 7.411 -0.408 6.782 1.00 0.00 N ATOM 342 CA LEU A 23 7.026 -1.710 6.258 1.00 0.00 C ATOM 343 C LEU A 23 7.738 -2.590 7.339 1.00 0.00 C ATOM 344 O LEU A 23 8.660 -1.943 7.875 1.00 0.00 O ATOM 345 CB LEU A 23 7.315 -2.048 4.854 1.00 0.00 C ATOM 346 CG LEU A 23 6.125 -1.975 3.854 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.749 -2.271 2.471 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.987 -2.953 4.014 1.00 0.00 C ATOM 0 H LEU A 23 8.378 -0.316 7.092 1.00 0.00 H new ATOM 0 HA LEU A 23 5.949 -1.831 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.099 -1.379 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.721 -3.059 4.825 1.00 0.00 H new ATOM 0 HG LEU A 23 5.669 -0.998 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.972 -2.238 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.510 -1.523 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.206 -3.261 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.240 -2.771 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.366 -3.971 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.532 -2.824 4.996 1.00 0.00 H new ATOM 360 N THR A 24 7.306 -3.803 7.524 1.00 0.00 N ATOM 361 CA THR A 24 7.954 -4.663 8.537 1.00 0.00 C ATOM 362 C THR A 24 7.185 -5.981 8.543 1.00 0.00 C ATOM 363 O THR A 24 6.318 -6.351 9.322 1.00 0.00 O ATOM 364 CB THR A 24 7.819 -3.990 9.890 1.00 0.00 C ATOM 365 OG1 THR A 24 8.708 -2.916 10.163 1.00 0.00 O ATOM 366 CG2 THR A 24 7.812 -4.920 11.115 1.00 0.00 C ATOM 0 H THR A 24 6.533 -4.232 7.016 1.00 0.00 H new ATOM 0 HA THR A 24 9.010 -4.828 8.321 1.00 0.00 H new ATOM 0 HB THR A 24 6.819 -3.578 9.754 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.539 -2.183 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.711 -4.325 12.023 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.975 -5.614 11.040 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.746 -5.481 11.151 1.00 0.00 H new ATOM 374 N ILE A 25 7.591 -6.729 7.542 1.00 0.00 N ATOM 375 CA ILE A 25 6.944 -8.018 7.432 1.00 0.00 C ATOM 376 C ILE A 25 7.811 -9.072 8.118 1.00 0.00 C ATOM 377 O ILE A 25 8.924 -9.250 7.679 1.00 0.00 O ATOM 378 CB ILE A 25 6.744 -8.271 5.932 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.141 -7.068 5.211 1.00 0.00 C ATOM 380 CG2 ILE A 25 5.779 -9.440 5.670 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.125 -6.367 4.288 1.00 0.00 C ATOM 0 H ILE A 25 8.302 -6.499 6.848 1.00 0.00 H new ATOM 0 HA ILE A 25 5.974 -8.058 7.928 1.00 0.00 H new ATOM 0 HB ILE A 25 7.744 -8.487 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.279 -7.396 4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.776 -6.355 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.666 -9.585 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.179 -10.349 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.807 -9.215 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.633 -5.522 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.976 -6.010 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.472 -7.066 3.527 1.00 0.00 H new ATOM 393 N THR A 26 7.214 -9.671 9.133 1.00 0.00 N ATOM 394 CA THR A 26 7.955 -10.670 9.854 1.00 0.00 C ATOM 395 C THR A 26 7.017 -11.357 10.859 1.00 0.00 C ATOM 396 O THR A 26 7.166 -11.185 12.063 1.00 0.00 O ATOM 397 CB THR A 26 9.090 -10.058 10.662 1.00 0.00 C ATOM 398 OG1 THR A 26 9.793 -9.000 10.074 1.00 0.00 O ATOM 399 CG2 THR A 26 10.085 -11.155 11.118 1.00 0.00 C ATOM 0 H THR A 26 6.265 -9.491 9.460 1.00 0.00 H new ATOM 0 HA THR A 26 8.362 -11.367 9.121 1.00 0.00 H new ATOM 0 HB THR A 26 8.577 -9.602 11.508 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.382 -8.588 10.740 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.890 -10.699 11.694 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.563 -11.885 11.737 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.502 -11.654 10.243 1.00 0.00 H new ATOM 407 N GLN A 27 6.083 -12.109 10.230 1.00 0.00 N ATOM 408 CA GLN A 27 5.202 -12.750 11.195 1.00 0.00 C ATOM 409 C GLN A 27 5.808 -13.919 11.961 1.00 0.00 C ATOM 410 O GLN A 27 6.449 -13.614 12.963 1.00 0.00 O ATOM 411 CB GLN A 27 3.793 -13.002 10.617 1.00 0.00 C ATOM 412 CG GLN A 27 2.712 -12.414 11.503 1.00 0.00 C ATOM 413 CD GLN A 27 2.892 -10.918 11.672 1.00 0.00 C ATOM 414 OE1 GLN A 27 2.918 -10.204 10.688 1.00 0.00 O ATOM 415 NE2 GLN A 27 3.003 -10.561 12.940 1.00 0.00 N ATOM 0 H GLN A 27 5.938 -12.265 9.233 1.00 0.00 H new ATOM 0 HA GLN A 27 5.067 -12.019 11.992 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.725 -12.566 9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.631 -14.074 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.733 -12.618 11.070 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.736 -12.898 12.479 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.964 -11.268 13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.128 -9.579 13.184 1.00 0.00 H new ATOM 424 N GLU A 28 5.567 -15.138 11.464 1.00 0.00 N ATOM 425 CA GLU A 28 6.121 -16.290 12.180 1.00 0.00 C ATOM 426 C GLU A 28 5.502 -17.544 11.533 1.00 0.00 C ATOM 427 O GLU A 28 4.325 -17.383 11.165 1.00 0.00 O ATOM 428 CB GLU A 28 5.684 -16.198 13.640 1.00 0.00 C ATOM 429 CG GLU A 28 4.232 -15.724 13.810 1.00 0.00 C ATOM 430 CD GLU A 28 4.053 -15.106 15.194 1.00 0.00 C ATOM 431 OE1 GLU A 28 4.631 -14.030 15.367 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.356 -15.723 15.997 1.00 0.00 O ATOM 0 H GLU A 28 5.028 -15.346 10.624 1.00 0.00 H new ATOM 0 HA GLU A 28 7.209 -16.323 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.797 -17.176 14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.347 -15.513 14.168 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.985 -14.993 13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.548 -16.563 13.684 1.00 0.00 H new ATOM 439 N GLY A 29 6.295 -18.604 11.466 1.00 0.00 N ATOM 440 CA GLY A 29 5.642 -19.742 10.843 1.00 0.00 C ATOM 441 C GLY A 29 5.644 -19.344 9.336 1.00 0.00 C ATOM 442 O GLY A 29 6.640 -19.551 8.698 1.00 0.00 O ATOM 0 H GLY A 29 7.259 -18.703 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.187 -20.670 11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.631 -19.889 11.223 1.00 0.00 H new ATOM 446 N ASN A 30 4.440 -18.809 9.037 1.00 0.00 N ATOM 447 CA ASN A 30 4.168 -18.364 7.724 1.00 0.00 C ATOM 448 C ASN A 30 3.122 -17.244 7.694 1.00 0.00 C ATOM 449 O ASN A 30 2.226 -17.441 6.843 1.00 0.00 O ATOM 450 CB ASN A 30 3.573 -19.501 6.859 1.00 0.00 C ATOM 451 CG ASN A 30 4.327 -20.801 6.883 1.00 0.00 C ATOM 452 OD1 ASN A 30 5.656 -20.775 6.730 1.00 0.00 O flip ATOM 453 ND2 ASN A 30 3.715 -21.857 7.034 1.00 0.00 N flip ATOM 0 H ASN A 30 3.675 -18.691 9.701 1.00 0.00 H new ATOM 0 HA ASN A 30 5.126 -18.014 7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.552 -19.688 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.515 -19.155 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.701 -21.847 7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.221 -22.743 7.045 1.00 0.00 H new ATOM 460 N LYS A 31 3.225 -16.216 8.513 1.00 0.00 N ATOM 461 CA LYS A 31 2.167 -15.206 8.382 1.00 0.00 C ATOM 462 C LYS A 31 3.094 -14.029 7.976 1.00 0.00 C ATOM 463 O LYS A 31 4.296 -14.220 8.247 1.00 0.00 O ATOM 464 CB LYS A 31 1.313 -15.001 9.594 1.00 0.00 C ATOM 465 CG LYS A 31 1.153 -16.416 10.201 1.00 0.00 C ATOM 466 CD LYS A 31 -0.261 -16.780 10.610 1.00 0.00 C ATOM 467 CE LYS A 31 -0.297 -18.088 11.390 1.00 0.00 C ATOM 468 NZ LYS A 31 0.272 -18.020 12.741 1.00 0.00 N ATOM 0 H LYS A 31 3.948 -16.053 9.213 1.00 0.00 H new ATOM 0 HA LYS A 31 1.356 -15.431 7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.784 -14.317 10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.347 -14.571 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.505 -17.149 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.800 -16.496 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.682 -15.980 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.887 -16.867 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.332 -18.421 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.242 -18.847 10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.098 -18.918 13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.296 -17.852 12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.175 -17.242 13.267 1.00 0.00 H new ATOM 482 N PHE A 32 2.568 -12.980 7.403 1.00 0.00 N ATOM 483 CA PHE A 32 3.610 -11.989 7.093 1.00 0.00 C ATOM 484 C PHE A 32 2.722 -10.780 6.748 1.00 0.00 C ATOM 485 O PHE A 32 2.529 -10.447 5.615 1.00 0.00 O ATOM 486 CB PHE A 32 4.568 -12.465 6.057 1.00 0.00 C ATOM 487 CG PHE A 32 3.837 -12.695 4.730 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.056 -13.839 4.675 1.00 0.00 C ATOM 489 CD2 PHE A 32 3.890 -11.890 3.639 1.00 0.00 C ATOM 490 CE1 PHE A 32 2.383 -14.065 3.493 1.00 0.00 C ATOM 491 CE2 PHE A 32 3.156 -12.238 2.493 1.00 0.00 C ATOM 492 CZ PHE A 32 2.397 -13.382 2.491 1.00 0.00 C ATOM 0 H PHE A 32 1.596 -12.785 7.165 1.00 0.00 H new ATOM 0 HA PHE A 32 4.325 -11.758 7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.363 -11.732 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.041 -13.390 6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.979 -14.516 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.490 -10.992 3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.772 -14.955 3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.189 -11.608 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.827 -13.667 1.619 1.00 0.00 H new ATOM 502 N THR A 33 2.275 -10.271 7.895 1.00 0.00 N ATOM 503 CA THR A 33 1.406 -9.104 7.756 1.00 0.00 C ATOM 504 C THR A 33 2.360 -8.124 7.127 1.00 0.00 C ATOM 505 O THR A 33 3.530 -8.043 7.528 1.00 0.00 O ATOM 506 CB THR A 33 0.872 -8.684 9.094 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.504 -8.307 8.960 1.00 0.00 O ATOM 508 CG2 THR A 33 1.491 -7.413 9.583 1.00 0.00 C ATOM 0 H THR A 33 2.472 -10.604 8.839 1.00 0.00 H new ATOM 0 HA THR A 33 0.500 -9.242 7.165 1.00 0.00 H new ATOM 0 HB THR A 33 1.065 -9.526 9.759 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.855 -8.034 9.833 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.070 -7.154 10.554 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.569 -7.546 9.678 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.286 -6.612 8.873 1.00 0.00 H new ATOM 516 N VAL A 34 1.796 -7.434 6.169 1.00 0.00 N ATOM 517 CA VAL A 34 2.703 -6.441 5.518 1.00 0.00 C ATOM 518 C VAL A 34 2.410 -5.249 6.383 1.00 0.00 C ATOM 519 O VAL A 34 1.283 -4.903 6.666 1.00 0.00 O ATOM 520 CB VAL A 34 2.161 -6.445 4.115 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.468 -5.246 3.234 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.728 -7.610 3.268 1.00 0.00 C ATOM 0 H VAL A 34 0.836 -7.500 5.831 1.00 0.00 H new ATOM 0 HA VAL A 34 3.784 -6.559 5.445 1.00 0.00 H new ATOM 0 HB VAL A 34 1.095 -6.490 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.014 -5.389 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.064 -4.344 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.547 -5.143 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.306 -7.569 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.813 -7.523 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.465 -8.560 3.733 1.00 0.00 H new ATOM 532 N LYS A 35 3.531 -4.630 6.793 1.00 0.00 N ATOM 533 CA LYS A 35 3.410 -3.475 7.636 1.00 0.00 C ATOM 534 C LYS A 35 2.946 -2.208 6.998 1.00 0.00 C ATOM 535 O LYS A 35 3.486 -1.136 7.053 1.00 0.00 O ATOM 536 CB LYS A 35 4.672 -3.265 8.537 1.00 0.00 C ATOM 537 CG LYS A 35 4.262 -2.545 9.835 1.00 0.00 C ATOM 538 CD LYS A 35 5.253 -2.397 10.960 1.00 0.00 C ATOM 539 CE LYS A 35 4.633 -1.883 12.267 1.00 0.00 C ATOM 540 NZ LYS A 35 5.508 -0.965 12.992 1.00 0.00 N ATOM 0 H LYS A 35 4.483 -4.910 6.556 1.00 0.00 H new ATOM 0 HA LYS A 35 2.566 -3.734 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.129 -4.226 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.419 -2.678 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.932 -1.543 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.393 -3.068 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.724 -3.362 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.042 -1.712 10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.693 -1.379 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.395 -2.732 12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.931 -0.276 13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.097 -1.502 13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.120 -0.463 12.317 1.00 0.00 H new ATOM 554 N GLU A 36 1.798 -2.357 6.307 1.00 0.00 N ATOM 555 CA GLU A 36 1.189 -1.248 5.613 1.00 0.00 C ATOM 556 C GLU A 36 0.577 -0.278 6.621 1.00 0.00 C ATOM 557 O GLU A 36 -0.649 -0.176 6.660 1.00 0.00 O ATOM 558 CB GLU A 36 0.010 -1.872 4.828 1.00 0.00 C ATOM 559 CG GLU A 36 0.470 -2.801 3.683 1.00 0.00 C ATOM 560 CD GLU A 36 -0.745 -2.865 2.736 1.00 0.00 C ATOM 561 OE1 GLU A 36 -1.858 -2.618 3.215 1.00 0.00 O ATOM 562 OE2 GLU A 36 -0.521 -3.159 1.576 1.00 0.00 O ATOM 0 H GLU A 36 1.290 -3.238 6.226 1.00 0.00 H new ATOM 0 HA GLU A 36 1.914 -0.723 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.619 -2.437 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.607 -1.074 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.349 -2.403 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.737 -3.790 4.056 1.00 0.00 H new ATOM 569 N SER A 37 1.462 0.371 7.368 1.00 0.00 N ATOM 570 CA SER A 37 0.867 1.306 8.334 1.00 0.00 C ATOM 571 C SER A 37 0.600 2.627 7.637 1.00 0.00 C ATOM 572 O SER A 37 1.501 3.471 7.620 1.00 0.00 O ATOM 573 CB SER A 37 1.826 1.357 9.510 1.00 0.00 C ATOM 574 OG SER A 37 3.132 1.305 8.958 1.00 0.00 O ATOM 0 H SER A 37 2.479 0.292 7.343 1.00 0.00 H new ATOM 0 HA SER A 37 -0.106 1.003 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.684 2.270 10.089 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.656 0.520 10.188 1.00 0.00 H new ATOM 0 HG SER A 37 3.219 1.986 8.259 1.00 0.00 H new ATOM 580 N SER A 38 -0.643 2.750 7.082 1.00 0.00 N ATOM 581 CA SER A 38 -0.938 4.007 6.407 1.00 0.00 C ATOM 582 C SER A 38 -1.484 5.113 7.259 1.00 0.00 C ATOM 583 O SER A 38 -1.643 4.948 8.467 1.00 0.00 O ATOM 584 CB SER A 38 -1.956 3.575 5.313 1.00 0.00 C ATOM 585 OG SER A 38 -1.525 2.461 4.576 1.00 0.00 O ATOM 0 H SER A 38 -1.384 2.050 7.093 1.00 0.00 H new ATOM 0 HA SER A 38 -0.019 4.461 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.912 3.345 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.128 4.410 4.633 1.00 0.00 H new ATOM 0 HG SER A 38 -2.222 2.201 3.938 1.00 0.00 H new ATOM 591 N ASN A 39 -1.758 6.234 6.570 1.00 0.00 N ATOM 592 CA ASN A 39 -2.287 7.430 7.205 1.00 0.00 C ATOM 593 C ASN A 39 -3.803 7.247 7.396 1.00 0.00 C ATOM 594 O ASN A 39 -4.444 8.034 8.061 1.00 0.00 O ATOM 595 CB ASN A 39 -2.067 8.607 6.262 1.00 0.00 C ATOM 596 CG ASN A 39 -2.088 9.911 7.076 1.00 0.00 C ATOM 597 OD1 ASN A 39 -2.260 9.845 8.292 1.00 0.00 O ATOM 598 ND2 ASN A 39 -1.899 11.024 6.331 1.00 0.00 N ATOM 0 H ASN A 39 -1.616 6.326 5.564 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.797 7.604 8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.114 8.502 5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.844 8.628 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.889 11.941 6.778 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.767 10.946 5.323 1.00 0.00 H new ATOM 605 N PHE A 40 -4.258 6.144 6.758 1.00 0.00 N ATOM 606 CA PHE A 40 -5.660 5.940 6.913 1.00 0.00 C ATOM 607 C PHE A 40 -5.900 5.552 8.395 1.00 0.00 C ATOM 608 O PHE A 40 -6.685 6.207 9.044 1.00 0.00 O ATOM 609 CB PHE A 40 -6.223 4.821 5.989 1.00 0.00 C ATOM 610 CG PHE A 40 -5.668 4.953 4.615 1.00 0.00 C ATOM 611 CD1 PHE A 40 -5.973 6.050 3.838 1.00 0.00 C ATOM 612 CD2 PHE A 40 -4.845 4.041 4.030 1.00 0.00 C ATOM 613 CE1 PHE A 40 -5.444 6.149 2.570 1.00 0.00 C ATOM 614 CE2 PHE A 40 -4.368 4.216 2.763 1.00 0.00 C ATOM 615 CZ PHE A 40 -4.633 5.170 2.084 1.00 0.00 C ATOM 0 H PHE A 40 -3.729 5.472 6.202 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.179 6.857 6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.970 3.842 6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.311 4.881 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.621 6.825 4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.562 3.157 4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.674 7.009 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.719 3.458 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.227 5.251 1.086 1.00 0.00 H new ATOM 625 N ARG A 41 -5.196 4.499 8.823 1.00 0.00 N ATOM 626 CA ARG A 41 -5.289 4.006 10.156 1.00 0.00 C ATOM 627 C ARG A 41 -4.134 3.160 10.671 1.00 0.00 C ATOM 628 O ARG A 41 -4.331 2.646 11.789 1.00 0.00 O ATOM 629 CB ARG A 41 -6.506 3.032 10.201 1.00 0.00 C ATOM 630 CG ARG A 41 -7.848 3.724 9.993 1.00 0.00 C ATOM 631 CD ARG A 41 -8.319 3.804 8.518 1.00 0.00 C ATOM 632 NE ARG A 41 -9.156 5.011 8.527 1.00 0.00 N ATOM 633 CZ ARG A 41 -10.328 5.054 7.829 1.00 0.00 C ATOM 634 NH1 ARG A 41 -10.801 4.047 7.110 1.00 0.00 N ATOM 635 NH2 ARG A 41 -11.056 6.157 7.853 1.00 0.00 N ATOM 0 H ARG A 41 -4.548 3.978 8.232 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.336 4.906 10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.378 2.268 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.516 2.520 11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.606 3.197 10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.785 4.735 10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.481 3.894 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.883 2.919 8.222 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.858 5.827 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.281 3.171 7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.686 4.147 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.740 6.965 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.934 6.200 7.335 1.00 0.00 H new ATOM 649 N ASN A 42 -3.038 3.026 9.921 1.00 0.00 N ATOM 650 CA ASN A 42 -1.996 2.178 10.514 1.00 0.00 C ATOM 651 C ASN A 42 -2.701 0.802 10.577 1.00 0.00 C ATOM 652 O ASN A 42 -2.958 0.204 11.623 1.00 0.00 O ATOM 653 CB ASN A 42 -1.542 2.659 11.877 1.00 0.00 C ATOM 654 CG ASN A 42 -0.125 3.260 11.889 1.00 0.00 C ATOM 655 OD1 ASN A 42 0.185 4.290 11.292 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.689 2.505 12.639 1.00 0.00 N ATOM 0 H ASN A 42 -2.854 3.439 9.006 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.070 2.172 9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.246 3.408 12.240 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.577 1.823 12.576 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.667 2.770 12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.331 1.665 13.094 1.00 0.00 H new ATOM 663 N ILE A 43 -2.963 0.446 9.316 1.00 0.00 N ATOM 664 CA ILE A 43 -3.665 -0.813 9.163 1.00 0.00 C ATOM 665 C ILE A 43 -3.052 -1.648 8.083 1.00 0.00 C ATOM 666 O ILE A 43 -2.990 -1.478 6.890 1.00 0.00 O ATOM 667 CB ILE A 43 -5.092 -0.345 8.795 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.903 -1.369 8.021 1.00 0.00 C ATOM 669 CG2 ILE A 43 -4.980 0.816 7.798 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.084 -1.144 6.522 1.00 0.00 C ATOM 0 H ILE A 43 -2.725 0.959 8.467 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.635 -1.448 10.048 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.570 -0.117 9.748 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.434 -2.343 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.893 -1.425 8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.978 1.160 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.426 1.636 8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.457 0.478 6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.683 -1.952 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.590 -0.193 6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.108 -1.126 6.036 1.00 0.00 H new ATOM 682 N ASP A 44 -2.507 -2.755 8.684 1.00 0.00 N ATOM 683 CA ASP A 44 -1.837 -3.758 7.905 1.00 0.00 C ATOM 684 C ASP A 44 -2.854 -4.694 7.304 1.00 0.00 C ATOM 685 O ASP A 44 -4.052 -4.421 7.439 1.00 0.00 O ATOM 686 CB ASP A 44 -0.942 -4.612 8.843 1.00 0.00 C ATOM 687 CG ASP A 44 -0.035 -3.775 9.740 1.00 0.00 C ATOM 688 OD1 ASP A 44 0.056 -2.588 9.430 1.00 0.00 O ATOM 689 OD2 ASP A 44 0.547 -4.274 10.688 1.00 0.00 O ATOM 0 H ASP A 44 -2.536 -2.940 9.687 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.250 -3.267 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.578 -5.241 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.328 -5.280 8.239 1.00 0.00 H new ATOM 694 N VAL A 45 -2.306 -5.725 6.698 1.00 0.00 N ATOM 695 CA VAL A 45 -3.196 -6.708 6.076 1.00 0.00 C ATOM 696 C VAL A 45 -2.593 -8.029 6.578 1.00 0.00 C ATOM 697 O VAL A 45 -1.445 -8.341 6.292 1.00 0.00 O ATOM 698 CB VAL A 45 -3.180 -6.606 4.582 1.00 0.00 C ATOM 699 CG1 VAL A 45 -4.226 -7.483 3.871 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.558 -5.160 4.148 1.00 0.00 C ATOM 0 H VAL A 45 -1.306 -5.909 6.618 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.248 -6.583 6.332 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.174 -6.920 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.143 -7.346 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.052 -8.530 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.225 -7.194 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.545 -5.091 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.556 -4.919 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.838 -4.455 4.565 1.00 0.00 H new ATOM 710 N VAL A 46 -3.451 -8.744 7.330 1.00 0.00 N ATOM 711 CA VAL A 46 -2.890 -9.977 7.803 1.00 0.00 C ATOM 712 C VAL A 46 -3.458 -11.173 7.064 1.00 0.00 C ATOM 713 O VAL A 46 -4.513 -11.077 6.449 1.00 0.00 O ATOM 714 CB VAL A 46 -3.356 -10.130 9.268 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.603 -10.977 9.434 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.322 -10.873 10.149 1.00 0.00 C ATOM 0 H VAL A 46 -4.411 -8.515 7.588 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.809 -9.948 7.670 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.518 -9.094 9.566 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.865 -11.036 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.426 -10.525 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.415 -11.980 9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.702 -10.952 11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.152 -11.872 9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.383 -10.319 10.154 1.00 0.00 H new ATOM 726 N PHE A 47 -2.652 -12.217 7.211 1.00 0.00 N ATOM 727 CA PHE A 47 -3.051 -13.434 6.563 1.00 0.00 C ATOM 728 C PHE A 47 -2.022 -14.525 6.744 1.00 0.00 C ATOM 729 O PHE A 47 -1.051 -14.220 7.455 1.00 0.00 O ATOM 730 CB PHE A 47 -3.143 -13.189 5.033 1.00 0.00 C ATOM 731 CG PHE A 47 -2.137 -12.126 4.650 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.796 -12.541 4.730 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.348 -10.848 4.250 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.226 -11.665 4.407 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.264 -10.055 3.951 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.102 -10.393 4.011 1.00 0.00 C ATOM 0 H PHE A 47 -1.779 -12.241 7.738 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.003 -13.734 7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.942 -14.112 4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.150 -12.872 4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.562 -13.547 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.352 -10.458 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.259 -11.976 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.467 -9.042 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.677 -9.691 3.752 1.00 0.00 H new ATOM 746 N GLU A 48 -2.198 -15.724 6.149 1.00 0.00 N ATOM 747 CA GLU A 48 -1.158 -16.667 6.392 1.00 0.00 C ATOM 748 C GLU A 48 -0.819 -17.537 5.161 1.00 0.00 C ATOM 749 O GLU A 48 -1.368 -18.612 5.039 1.00 0.00 O ATOM 750 CB GLU A 48 -1.814 -17.632 7.427 1.00 0.00 C ATOM 751 CG GLU A 48 -0.858 -18.711 7.914 1.00 0.00 C ATOM 752 CD GLU A 48 -1.239 -20.095 7.432 1.00 0.00 C ATOM 753 OE1 GLU A 48 -2.306 -20.346 6.913 1.00 0.00 O ATOM 754 OE2 GLU A 48 -0.437 -21.028 7.561 1.00 0.00 O ATOM 0 H GLU A 48 -2.977 -16.017 5.559 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.243 -16.156 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.169 -17.055 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.687 -18.103 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.150 -18.477 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.835 -18.704 9.004 1.00 0.00 H new ATOM 761 N LEU A 49 0.065 -16.924 4.404 1.00 0.00 N ATOM 762 CA LEU A 49 0.625 -17.436 3.160 1.00 0.00 C ATOM 763 C LEU A 49 -0.323 -18.210 2.287 1.00 0.00 C ATOM 764 O LEU A 49 -0.530 -19.395 2.351 1.00 0.00 O ATOM 765 CB LEU A 49 1.828 -18.282 3.650 1.00 0.00 C ATOM 766 CG LEU A 49 3.039 -18.240 2.733 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.826 -17.708 1.312 1.00 0.00 C ATOM 768 CD2 LEU A 49 4.213 -17.339 3.212 1.00 0.00 C ATOM 0 H LEU A 49 0.436 -16.006 4.648 1.00 0.00 H new ATOM 0 HA LEU A 49 0.898 -16.624 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.124 -17.932 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.507 -19.318 3.761 1.00 0.00 H new ATOM 0 HG LEU A 49 3.254 -19.308 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.770 -17.734 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.094 -18.330 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.462 -16.682 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.024 -17.382 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.866 -16.310 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.573 -17.693 4.178 1.00 0.00 H new ATOM 780 N GLY A 50 -0.938 -17.436 1.397 1.00 0.00 N ATOM 781 CA GLY A 50 -1.897 -17.947 0.437 1.00 0.00 C ATOM 782 C GLY A 50 -2.997 -18.624 1.268 1.00 0.00 C ATOM 783 O GLY A 50 -3.072 -19.814 1.112 1.00 0.00 O ATOM 0 H GLY A 50 -0.780 -16.431 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.307 -17.142 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.428 -18.657 -0.245 1.00 0.00 H new ATOM 787 N VAL A 51 -3.694 -17.789 2.036 1.00 0.00 N ATOM 788 CA VAL A 51 -4.753 -18.287 2.869 1.00 0.00 C ATOM 789 C VAL A 51 -6.132 -18.014 2.322 1.00 0.00 C ATOM 790 O VAL A 51 -7.030 -18.810 2.517 1.00 0.00 O ATOM 791 CB VAL A 51 -4.675 -17.807 4.350 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.633 -16.697 4.704 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.156 -18.953 5.235 1.00 0.00 C ATOM 0 H VAL A 51 -3.538 -16.782 2.090 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.589 -19.365 2.859 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.646 -17.475 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.507 -16.429 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.428 -15.827 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.656 -17.032 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.113 -18.648 6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.183 -19.209 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.516 -19.822 5.084 1.00 0.00 H new ATOM 803 N ASP A 52 -6.095 -16.833 1.662 1.00 0.00 N ATOM 804 CA ASP A 52 -7.351 -16.411 1.062 1.00 0.00 C ATOM 805 C ASP A 52 -8.320 -15.978 2.204 1.00 0.00 C ATOM 806 O ASP A 52 -8.594 -16.683 3.135 1.00 0.00 O ATOM 807 CB ASP A 52 -7.958 -17.370 0.061 1.00 0.00 C ATOM 808 CG ASP A 52 -9.495 -17.441 0.182 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.956 -18.248 0.986 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.182 -16.693 -0.520 1.00 0.00 O ATOM 0 H ASP A 52 -5.290 -16.218 1.544 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.140 -15.555 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.688 -17.058 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.537 -18.364 0.211 1.00 0.00 H new ATOM 815 N PHE A 53 -8.778 -14.716 1.962 1.00 0.00 N ATOM 816 CA PHE A 53 -9.678 -14.252 2.983 1.00 0.00 C ATOM 817 C PHE A 53 -10.365 -12.930 2.756 1.00 0.00 C ATOM 818 O PHE A 53 -9.746 -12.087 2.092 1.00 0.00 O ATOM 819 CB PHE A 53 -8.833 -14.013 4.275 1.00 0.00 C ATOM 820 CG PHE A 53 -7.730 -13.031 3.936 1.00 0.00 C ATOM 821 CD1 PHE A 53 -6.648 -13.312 3.162 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.777 -11.743 4.422 1.00 0.00 C ATOM 823 CE1 PHE A 53 -5.670 -12.410 2.868 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.744 -10.854 4.088 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.792 -11.125 3.398 1.00 0.00 C ATOM 0 H PHE A 53 -8.564 -14.099 1.179 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.450 -15.020 3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.461 -13.620 5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.411 -14.952 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.558 -14.309 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.595 -11.423 5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.829 -12.680 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.806 -9.849 4.479 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.040 -10.378 3.192 1.00 0.00 H new ATOM 835 N ALA A 54 -11.576 -12.751 3.275 1.00 0.00 N ATOM 836 CA ALA A 54 -12.285 -11.468 3.084 1.00 0.00 C ATOM 837 C ALA A 54 -12.112 -10.832 4.487 1.00 0.00 C ATOM 838 O ALA A 54 -12.258 -11.608 5.425 1.00 0.00 O ATOM 839 CB ALA A 54 -13.723 -11.645 2.695 1.00 0.00 C ATOM 0 H ALA A 54 -12.084 -13.449 3.818 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.897 -10.861 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.189 -10.668 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.781 -12.198 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.245 -12.199 3.475 1.00 0.00 H new ATOM 845 N TYR A 55 -11.824 -9.533 4.572 1.00 0.00 N ATOM 846 CA TYR A 55 -11.689 -9.102 5.948 1.00 0.00 C ATOM 847 C TYR A 55 -12.054 -7.633 6.209 1.00 0.00 C ATOM 848 O TYR A 55 -11.513 -7.116 7.145 1.00 0.00 O ATOM 849 CB TYR A 55 -10.299 -9.511 6.468 1.00 0.00 C ATOM 850 CG TYR A 55 -10.110 -9.393 7.951 1.00 0.00 C ATOM 851 CD1 TYR A 55 -11.073 -9.580 8.892 1.00 0.00 C ATOM 852 CD2 TYR A 55 -8.872 -9.066 8.473 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.806 -9.452 10.251 1.00 0.00 C ATOM 854 CE2 TYR A 55 -8.669 -8.951 9.824 1.00 0.00 C ATOM 855 CZ TYR A 55 -9.716 -9.165 10.696 1.00 0.00 C ATOM 856 OH TYR A 55 -9.521 -9.052 12.051 1.00 0.00 O ATOM 0 H TYR A 55 -11.696 -8.852 3.823 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.447 -9.623 6.534 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.109 -10.544 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.548 -8.896 5.972 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -12.074 -9.835 8.575 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.045 -8.897 7.800 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.614 -9.617 10.948 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.692 -8.693 10.205 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.586 -8.817 12.229 1.00 0.00 H new ATOM 866 N SER A 56 -12.932 -7.233 5.305 1.00 0.00 N ATOM 867 CA SER A 56 -13.433 -5.870 5.366 1.00 0.00 C ATOM 868 C SER A 56 -12.443 -4.981 6.104 1.00 0.00 C ATOM 869 O SER A 56 -12.760 -4.745 7.289 1.00 0.00 O ATOM 870 CB SER A 56 -14.782 -5.938 6.085 1.00 0.00 C ATOM 871 OG SER A 56 -15.202 -4.695 6.559 1.00 0.00 O ATOM 0 H SER A 56 -13.302 -7.807 4.547 1.00 0.00 H new ATOM 0 HA SER A 56 -13.557 -5.437 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.533 -6.335 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.710 -6.635 6.920 1.00 0.00 H new ATOM 0 HG SER A 56 -14.533 -4.339 7.180 1.00 0.00 H new ATOM 877 N LEU A 57 -11.393 -4.583 5.416 1.00 0.00 N ATOM 878 CA LEU A 57 -10.383 -3.749 6.035 1.00 0.00 C ATOM 879 C LEU A 57 -10.722 -2.260 6.093 1.00 0.00 C ATOM 880 O LEU A 57 -11.671 -1.810 5.439 1.00 0.00 O ATOM 881 CB LEU A 57 -9.062 -3.980 5.323 1.00 0.00 C ATOM 882 CG LEU A 57 -8.338 -5.212 5.882 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.944 -5.382 5.285 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.073 -5.155 7.383 1.00 0.00 C ATOM 0 H LEU A 57 -11.217 -4.820 4.440 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.323 -4.049 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.239 -4.112 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.428 -3.101 5.434 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.022 -6.022 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.471 -6.267 5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.023 -5.498 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.341 -4.503 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.559 -6.063 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.451 -4.289 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.020 -5.072 7.917 1.00 0.00 H new ATOM 896 N ALA A 58 -9.915 -1.556 6.894 1.00 0.00 N ATOM 897 CA ALA A 58 -10.101 -0.128 7.056 1.00 0.00 C ATOM 898 C ALA A 58 -11.537 0.321 7.288 1.00 0.00 C ATOM 899 O ALA A 58 -11.810 1.479 6.961 1.00 0.00 O ATOM 900 CB ALA A 58 -9.615 0.509 5.740 1.00 0.00 C ATOM 0 H ALA A 58 -9.142 -1.952 7.428 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.553 0.176 7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.729 1.592 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.565 0.262 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.207 0.125 4.909 1.00 0.00 H new ATOM 906 N ASP A 59 -12.382 -0.595 7.834 1.00 0.00 N ATOM 907 CA ASP A 59 -13.784 -0.240 8.090 1.00 0.00 C ATOM 908 C ASP A 59 -14.501 0.413 6.941 1.00 0.00 C ATOM 909 O ASP A 59 -15.238 1.361 7.116 1.00 0.00 O ATOM 910 CB ASP A 59 -13.810 0.699 9.302 1.00 0.00 C ATOM 911 CG ASP A 59 -14.894 0.320 10.289 1.00 0.00 C ATOM 912 OD1 ASP A 59 -14.784 -0.710 10.919 1.00 0.00 O ATOM 913 OD2 ASP A 59 -15.851 1.066 10.421 1.00 0.00 O ATOM 0 H ASP A 59 -12.121 -1.546 8.093 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.319 -1.174 8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.841 0.675 9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.969 1.723 8.964 1.00 0.00 H new ATOM 918 N GLY A 60 -14.250 -0.143 5.718 1.00 0.00 N ATOM 919 CA GLY A 60 -14.868 0.376 4.501 1.00 0.00 C ATOM 920 C GLY A 60 -14.449 -0.544 3.344 1.00 0.00 C ATOM 921 O GLY A 60 -15.340 -0.934 2.602 1.00 0.00 O ATOM 0 H GLY A 60 -13.630 -0.939 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.953 0.397 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.545 1.400 4.313 1.00 0.00 H new ATOM 925 N THR A 61 -13.154 -0.822 3.273 1.00 0.00 N ATOM 926 CA THR A 61 -12.550 -1.663 2.261 1.00 0.00 C ATOM 927 C THR A 61 -13.025 -3.135 2.292 1.00 0.00 C ATOM 928 O THR A 61 -13.752 -3.495 3.199 1.00 0.00 O ATOM 929 CB THR A 61 -11.006 -1.525 2.268 1.00 0.00 C ATOM 930 OG1 THR A 61 -10.406 -2.310 3.234 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.609 -0.049 2.385 1.00 0.00 C ATOM 0 H THR A 61 -12.478 -0.454 3.942 1.00 0.00 H new ATOM 0 HA THR A 61 -12.910 -1.290 1.302 1.00 0.00 H new ATOM 0 HB THR A 61 -10.632 -1.902 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.434 -2.189 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.522 0.036 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.013 0.505 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.009 0.363 3.312 1.00 0.00 H new ATOM 939 N GLU A 62 -12.576 -3.901 1.273 1.00 0.00 N ATOM 940 CA GLU A 62 -13.055 -5.275 1.357 1.00 0.00 C ATOM 941 C GLU A 62 -12.207 -6.153 0.423 1.00 0.00 C ATOM 942 O GLU A 62 -12.712 -7.066 -0.205 1.00 0.00 O ATOM 943 CB GLU A 62 -14.516 -5.392 0.992 1.00 0.00 C ATOM 944 CG GLU A 62 -15.245 -6.493 1.772 1.00 0.00 C ATOM 945 CD GLU A 62 -16.698 -6.043 1.922 1.00 0.00 C ATOM 946 OE1 GLU A 62 -16.965 -5.176 2.769 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.561 -6.534 1.222 1.00 0.00 O ATOM 0 H GLU A 62 -11.972 -3.637 0.495 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.956 -5.610 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.008 -4.437 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.603 -5.593 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.188 -7.444 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.785 -6.644 2.748 1.00 0.00 H new ATOM 954 N LEU A 63 -10.918 -5.785 0.400 1.00 0.00 N ATOM 955 CA LEU A 63 -9.975 -6.491 -0.421 1.00 0.00 C ATOM 956 C LEU A 63 -9.948 -7.945 0.018 1.00 0.00 C ATOM 957 O LEU A 63 -9.434 -8.333 1.043 1.00 0.00 O ATOM 958 CB LEU A 63 -8.552 -5.908 -0.201 1.00 0.00 C ATOM 959 CG LEU A 63 -8.178 -4.695 -1.030 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.849 -3.398 -0.558 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.689 -4.370 -0.870 1.00 0.00 C ATOM 0 H LEU A 63 -10.527 -5.012 0.938 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.264 -6.397 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.451 -5.645 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.826 -6.696 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.481 -4.966 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.535 -2.573 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.932 -3.508 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.557 -3.191 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.440 -3.496 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.473 -4.161 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.093 -5.221 -1.201 1.00 0.00 H new ATOM 973 N THR A 64 -10.555 -8.743 -0.856 1.00 0.00 N ATOM 974 CA THR A 64 -10.668 -10.152 -0.661 1.00 0.00 C ATOM 975 C THR A 64 -9.643 -10.833 -1.577 1.00 0.00 C ATOM 976 O THR A 64 -9.821 -10.878 -2.785 1.00 0.00 O ATOM 977 CB THR A 64 -12.075 -10.635 -1.025 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.006 -9.895 -0.259 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.340 -12.078 -0.724 1.00 0.00 C ATOM 0 H THR A 64 -10.980 -8.409 -1.721 1.00 0.00 H new ATOM 0 HA THR A 64 -10.483 -10.398 0.385 1.00 0.00 H new ATOM 0 HB THR A 64 -12.167 -10.498 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.897 -8.939 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.360 -12.329 -1.015 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.640 -12.700 -1.281 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.213 -12.256 0.344 1.00 0.00 H new ATOM 987 N GLY A 65 -8.607 -11.335 -0.923 1.00 0.00 N ATOM 988 CA GLY A 65 -7.654 -11.975 -1.847 1.00 0.00 C ATOM 989 C GLY A 65 -6.775 -12.916 -1.022 1.00 0.00 C ATOM 990 O GLY A 65 -7.172 -13.208 0.075 1.00 0.00 O ATOM 0 H GLY A 65 -8.408 -11.329 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.184 -12.527 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.045 -11.224 -2.350 1.00 0.00 H new ATOM 994 N THR A 66 -5.694 -13.215 -1.758 1.00 0.00 N ATOM 995 CA THR A 66 -4.697 -14.101 -1.226 1.00 0.00 C ATOM 996 C THR A 66 -3.258 -13.821 -1.517 1.00 0.00 C ATOM 997 O THR A 66 -2.830 -13.888 -2.674 1.00 0.00 O ATOM 998 CB THR A 66 -5.046 -15.470 -1.895 1.00 0.00 C ATOM 999 OG1 THR A 66 -3.987 -16.317 -1.674 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.312 -15.200 -3.390 1.00 0.00 C ATOM 0 H THR A 66 -5.507 -12.858 -2.695 1.00 0.00 H new ATOM 0 HA THR A 66 -4.746 -14.023 -0.140 1.00 0.00 H new ATOM 0 HB THR A 66 -5.938 -15.941 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.175 -17.189 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.559 -16.136 -3.890 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.144 -14.503 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.421 -14.769 -3.846 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.413 -13.494 -0.534 1.00 0.00 N ATOM 1009 CA TRP A 67 -0.995 -13.231 -0.867 1.00 0.00 C ATOM 1010 C TRP A 67 -0.268 -14.565 -0.501 1.00 0.00 C ATOM 1011 O TRP A 67 -0.206 -14.886 0.655 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.371 -12.084 -0.114 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.148 -10.852 -0.605 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -1.683 -9.918 0.280 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.451 -10.459 -1.978 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.242 -9.069 -0.529 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.181 -9.265 -1.886 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.206 -10.950 -3.224 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -2.612 -8.661 -3.028 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.638 -10.329 -4.365 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.359 -9.169 -4.281 1.00 0.00 C ATOM 0 H TRP A 67 -2.660 -13.406 0.452 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.909 -12.936 -1.913 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.468 -12.214 0.964 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.694 -11.997 -0.330 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.643 -9.904 1.359 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.728 -8.254 -0.154 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.647 -11.869 -3.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.177 -7.744 -2.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.410 -10.754 -5.331 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.717 -8.669 -5.169 1.00 0.00 H new ATOM 1032 N THR A 68 0.170 -15.131 -1.611 1.00 0.00 N ATOM 1033 CA THR A 68 0.889 -16.358 -1.730 1.00 0.00 C ATOM 1034 C THR A 68 2.391 -16.206 -2.051 1.00 0.00 C ATOM 1035 O THR A 68 2.741 -16.621 -3.143 1.00 0.00 O ATOM 1036 CB THR A 68 0.355 -17.303 -2.802 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.406 -16.778 -4.131 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.051 -17.875 -2.609 1.00 0.00 C ATOM 0 H THR A 68 0.012 -14.697 -2.520 1.00 0.00 H new ATOM 0 HA THR A 68 0.745 -16.767 -0.730 1.00 0.00 H new ATOM 0 HB THR A 68 1.065 -18.119 -2.668 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.320 -16.487 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.296 -18.528 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.087 -18.446 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.772 -17.059 -2.562 1.00 0.00 H new ATOM 1046 N MET A 69 3.026 -15.635 -1.042 1.00 0.00 N ATOM 1047 CA MET A 69 4.455 -15.338 -1.006 1.00 0.00 C ATOM 1048 C MET A 69 5.081 -16.562 -1.658 1.00 0.00 C ATOM 1049 O MET A 69 5.095 -17.651 -1.091 1.00 0.00 O ATOM 1050 CB MET A 69 4.886 -15.327 0.475 1.00 0.00 C ATOM 1051 CG MET A 69 6.066 -14.365 0.718 1.00 0.00 C ATOM 1052 SD MET A 69 7.605 -15.285 0.747 1.00 0.00 S ATOM 1053 CE MET A 69 8.141 -15.058 2.464 1.00 0.00 C ATOM 0 H MET A 69 2.544 -15.353 -0.189 1.00 0.00 H new ATOM 0 HA MET A 69 4.726 -14.396 -1.483 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.041 -15.032 1.098 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.169 -16.335 0.779 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.098 -13.609 -0.067 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.929 -13.838 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.229 -15.007 2.502 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.720 -14.132 2.857 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.796 -15.898 3.067 1.00 0.00 H new ATOM 1063 N GLU A 70 5.574 -16.264 -2.873 1.00 0.00 N ATOM 1064 CA GLU A 70 6.212 -17.352 -3.643 1.00 0.00 C ATOM 1065 C GLU A 70 7.619 -17.494 -3.098 1.00 0.00 C ATOM 1066 O GLU A 70 7.954 -18.493 -2.499 1.00 0.00 O ATOM 1067 CB GLU A 70 6.202 -17.090 -5.147 1.00 0.00 C ATOM 1068 CG GLU A 70 7.239 -17.807 -5.972 1.00 0.00 C ATOM 1069 CD GLU A 70 8.131 -16.738 -6.631 1.00 0.00 C ATOM 1070 OE1 GLU A 70 8.888 -16.137 -5.848 1.00 0.00 O ATOM 1071 OE2 GLU A 70 8.073 -16.526 -7.835 1.00 0.00 O ATOM 0 H GLU A 70 5.550 -15.348 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 70 5.653 -18.280 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.218 -17.359 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.324 -16.019 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.835 -18.470 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.762 -18.428 -6.730 1.00 0.00 H new ATOM 1078 N GLY A 71 8.376 -16.431 -3.360 1.00 0.00 N ATOM 1079 CA GLY A 71 9.753 -16.395 -2.913 1.00 0.00 C ATOM 1080 C GLY A 71 9.946 -14.930 -2.424 1.00 0.00 C ATOM 1081 O GLY A 71 10.198 -14.701 -1.255 1.00 0.00 O ATOM 0 H GLY A 71 8.063 -15.604 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.932 -17.111 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.442 -16.641 -3.721 1.00 0.00 H new ATOM 1085 N ASN A 72 9.781 -14.110 -3.475 1.00 0.00 N ATOM 1086 CA ASN A 72 9.897 -12.681 -3.299 1.00 0.00 C ATOM 1087 C ASN A 72 8.815 -11.991 -4.149 1.00 0.00 C ATOM 1088 O ASN A 72 8.999 -10.799 -4.352 1.00 0.00 O ATOM 1089 CB ASN A 72 11.295 -12.240 -3.703 1.00 0.00 C ATOM 1090 CG ASN A 72 12.290 -13.361 -3.417 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.925 -13.399 -2.367 1.00 0.00 O ATOM 1092 ND2 ASN A 72 12.369 -14.242 -4.403 1.00 0.00 N ATOM 0 H ASN A 72 9.573 -14.416 -4.426 1.00 0.00 H new ATOM 0 HA ASN A 72 9.746 -12.402 -2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.314 -11.985 -4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.577 -11.342 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.001 -15.039 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.798 -14.123 -5.240 1.00 0.00 H new ATOM 1099 N LYS A 73 7.824 -12.820 -4.543 1.00 0.00 N ATOM 1100 CA LYS A 73 6.746 -12.236 -5.364 1.00 0.00 C ATOM 1101 C LYS A 73 5.566 -11.944 -4.476 1.00 0.00 C ATOM 1102 O LYS A 73 5.668 -12.278 -3.296 1.00 0.00 O ATOM 1103 CB LYS A 73 6.465 -13.074 -6.617 1.00 0.00 C ATOM 1104 CG LYS A 73 7.536 -13.000 -7.674 1.00 0.00 C ATOM 1105 CD LYS A 73 8.968 -12.998 -7.134 1.00 0.00 C ATOM 1106 CE LYS A 73 9.940 -13.023 -8.313 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.365 -14.372 -8.665 1.00 0.00 N ATOM 0 H LYS A 73 7.747 -13.814 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 73 7.049 -11.278 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.337 -14.115 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.520 -12.748 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.419 -13.846 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.383 -12.096 -8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.139 -12.112 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.131 -13.864 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.467 -12.558 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.816 -12.423 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.522 -14.430 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.249 -14.599 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.628 -15.051 -8.388 1.00 0.00 H new ATOM 1121 N LEU A 74 4.524 -11.348 -5.048 1.00 0.00 N ATOM 1122 CA LEU A 74 3.378 -11.055 -4.198 1.00 0.00 C ATOM 1123 C LEU A 74 2.080 -11.125 -4.959 1.00 0.00 C ATOM 1124 O LEU A 74 1.190 -10.297 -4.874 1.00 0.00 O ATOM 1125 CB LEU A 74 3.634 -9.707 -3.492 1.00 0.00 C ATOM 1126 CG LEU A 74 3.996 -10.000 -2.007 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.302 -8.748 -1.220 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.956 -10.827 -1.256 1.00 0.00 C ATOM 0 H LEU A 74 4.448 -11.074 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 74 3.267 -11.819 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.445 -9.169 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.749 -9.073 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 74 4.900 -10.604 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.547 -9.015 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.148 -8.232 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.431 -8.092 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.288 -10.984 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.003 -10.297 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.833 -11.791 -1.749 1.00 0.00 H new ATOM 1140 N VAL A 75 2.126 -12.259 -5.716 1.00 0.00 N ATOM 1141 CA VAL A 75 1.059 -12.677 -6.581 1.00 0.00 C ATOM 1142 C VAL A 75 -0.162 -13.187 -5.850 1.00 0.00 C ATOM 1143 O VAL A 75 -0.121 -13.913 -4.877 1.00 0.00 O ATOM 1144 CB VAL A 75 1.664 -13.734 -7.522 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.714 -14.482 -8.419 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.582 -13.007 -8.527 1.00 0.00 C ATOM 0 H VAL A 75 2.926 -12.892 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 75 0.675 -11.821 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 75 2.126 -14.446 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.272 -15.194 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.015 -15.018 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.196 -13.777 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.025 -13.734 -9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.997 -12.285 -9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.373 -12.487 -7.987 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.275 -12.720 -6.422 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.560 -13.109 -5.842 1.00 0.00 C ATOM 1158 C GLY A 76 -3.461 -11.956 -6.344 1.00 0.00 C ATOM 1159 O GLY A 76 -3.128 -11.484 -7.402 1.00 0.00 O ATOM 0 H GLY A 76 -1.316 -12.108 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.897 -14.083 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.524 -13.162 -4.754 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.464 -11.701 -5.476 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.329 -10.632 -5.906 1.00 0.00 C ATOM 1165 C LYS A 77 -6.487 -10.415 -4.974 1.00 0.00 C ATOM 1166 O LYS A 77 -7.095 -11.355 -4.519 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.850 -11.080 -7.292 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.224 -10.557 -7.597 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.192 -11.607 -8.146 1.00 0.00 C ATOM 1170 CE LYS A 77 -8.528 -11.381 -9.628 1.00 0.00 C ATOM 1171 NZ LYS A 77 -9.959 -11.109 -9.795 1.00 0.00 N ATOM 0 H LYS A 77 -4.666 -12.163 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.788 -9.686 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.158 -10.739 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.864 -12.169 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.647 -10.130 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.139 -9.746 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.756 -12.598 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.112 -11.589 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.945 -10.545 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.249 -12.260 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.169 -10.959 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.510 -11.918 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.215 -10.257 -9.257 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.631 -9.079 -4.832 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.685 -8.540 -3.983 1.00 0.00 C ATOM 1187 C PHE A 78 -8.465 -7.602 -4.882 1.00 0.00 C ATOM 1188 O PHE A 78 -8.142 -7.216 -5.966 1.00 0.00 O ATOM 1189 CB PHE A 78 -7.032 -7.964 -2.745 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.250 -8.956 -1.965 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.227 -9.703 -2.440 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.538 -9.200 -0.632 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.599 -10.587 -1.600 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.861 -10.104 0.159 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.838 -10.799 -0.441 1.00 0.00 C ATOM 0 H PHE A 78 -6.042 -8.381 -5.286 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.407 -9.250 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.374 -7.146 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.803 -7.537 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.909 -9.605 -3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.348 -8.645 -0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.793 -11.162 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.121 -10.258 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.261 -11.521 0.117 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.592 -7.295 -4.217 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.543 -6.416 -4.816 1.00 0.00 C ATOM 1207 C LYS A 79 -11.543 -5.863 -3.839 1.00 0.00 C ATOM 1208 O LYS A 79 -12.012 -6.565 -2.958 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.208 -7.387 -5.842 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.928 -6.648 -6.942 1.00 0.00 C ATOM 1211 CD LYS A 79 -13.028 -5.725 -6.365 1.00 0.00 C ATOM 1212 CE LYS A 79 -14.187 -5.582 -7.370 1.00 0.00 C ATOM 1213 NZ LYS A 79 -15.519 -5.868 -6.857 1.00 0.00 N ATOM 0 H LYS A 79 -9.840 -7.644 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.103 -5.515 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.444 -8.030 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.912 -8.036 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.214 -6.055 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.374 -7.363 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.400 -6.135 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.609 -4.744 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.180 -4.564 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.994 -6.246 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.095 -6.300 -7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.448 -6.525 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.967 -4.984 -6.543 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.814 -4.568 -4.090 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.769 -3.873 -3.243 1.00 0.00 C ATOM 1229 C ARG A 80 -14.161 -3.985 -3.932 1.00 0.00 C ATOM 1230 O ARG A 80 -14.286 -3.380 -4.979 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.354 -2.436 -2.951 1.00 0.00 C ATOM 1232 CG ARG A 80 -13.470 -1.613 -2.299 1.00 0.00 C ATOM 1233 CD ARG A 80 -12.925 -0.204 -1.964 1.00 0.00 C ATOM 1234 NE ARG A 80 -13.916 0.533 -1.226 1.00 0.00 N ATOM 1235 CZ ARG A 80 -14.462 1.676 -1.607 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -14.125 2.261 -2.754 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -15.375 2.262 -0.820 1.00 0.00 N ATOM 0 H ARG A 80 -11.401 -4.013 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.811 -4.337 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.483 -2.441 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.051 -1.955 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.324 -1.536 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.822 -2.106 -1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.009 -0.287 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.671 0.327 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.223 0.142 -0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.431 1.828 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.561 3.142 -3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.642 1.826 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.803 3.144 -1.104 1.00 0.00 H new ATOM 1251 N VAL A 81 -15.019 -4.741 -3.263 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.366 -4.980 -3.721 1.00 0.00 C ATOM 1253 C VAL A 81 -17.157 -3.656 -3.685 1.00 0.00 C ATOM 1254 O VAL A 81 -18.198 -3.624 -4.319 1.00 0.00 O ATOM 1255 CB VAL A 81 -17.016 -6.017 -2.854 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -18.387 -6.468 -3.420 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.232 -7.343 -2.800 1.00 0.00 C ATOM 0 H VAL A 81 -14.792 -5.205 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.352 -5.351 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.078 -5.525 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.823 -7.219 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.055 -5.609 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.248 -6.893 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.756 -8.050 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -16.150 -7.759 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.234 -7.160 -2.401 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.508 -2.777 -2.935 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.036 -1.450 -2.752 1.00 0.00 C ATOM 1269 C ASP A 82 -16.520 -0.578 -3.897 1.00 0.00 C ATOM 1270 O ASP A 82 -16.579 0.643 -3.652 1.00 0.00 O ATOM 1271 CB ASP A 82 -16.625 -0.922 -1.373 1.00 0.00 C ATOM 1272 CG ASP A 82 -17.420 -1.535 -0.232 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -18.629 -1.458 -0.239 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -16.851 -2.109 0.702 1.00 0.00 O ATOM 0 H ASP A 82 -15.628 -2.963 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.126 -1.442 -2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.565 -1.122 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.751 0.160 -1.354 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.078 -1.187 -5.009 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.615 -0.324 -6.078 1.00 0.00 C ATOM 1281 C ASN A 83 -14.200 0.179 -6.000 1.00 0.00 C ATOM 1282 O ASN A 83 -13.904 1.152 -6.710 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.606 0.819 -6.345 1.00 0.00 C ATOM 1284 CG ASN A 83 -18.064 0.421 -6.031 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -18.306 -0.898 -6.025 1.00 0.00 O flip ATOM 1286 ND2 ASN A 83 -18.940 1.220 -5.796 1.00 0.00 N flip ATOM 0 H ASN A 83 -16.035 -2.192 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.582 -0.997 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.330 1.683 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -16.532 1.123 -7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -18.735 2.219 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -19.884 0.895 -5.588 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.347 -0.469 -5.184 1.00 0.00 N ATOM 1294 CA GLY A 84 -12.003 0.122 -5.276 1.00 0.00 C ATOM 1295 C GLY A 84 -11.380 -0.544 -6.544 1.00 0.00 C ATOM 1296 O GLY A 84 -10.354 -0.140 -7.040 1.00 0.00 O ATOM 0 H GLY A 84 -13.513 -1.259 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.050 1.206 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.413 -0.089 -4.384 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.208 -1.549 -6.861 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.043 -2.455 -7.939 1.00 0.00 C ATOM 1302 C LYS A 85 -10.694 -3.035 -8.277 1.00 0.00 C ATOM 1303 O LYS A 85 -10.076 -2.513 -9.201 1.00 0.00 O ATOM 1304 CB LYS A 85 -12.651 -1.826 -9.213 1.00 0.00 C ATOM 1305 CG LYS A 85 -13.139 -3.051 -10.021 1.00 0.00 C ATOM 1306 CD LYS A 85 -14.255 -2.604 -10.942 1.00 0.00 C ATOM 1307 CE LYS A 85 -15.531 -2.212 -10.182 1.00 0.00 C ATOM 1308 NZ LYS A 85 -16.495 -3.308 -10.137 1.00 0.00 N ATOM 0 H LYS A 85 -13.053 -1.738 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.557 -3.336 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.472 -1.149 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.912 -1.248 -9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.318 -3.475 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.493 -3.832 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.914 -1.754 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.486 -3.407 -11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.272 -1.914 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.988 -1.346 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.342 -3.004 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.762 -3.575 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.068 -4.126 -9.657 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.374 -4.097 -7.523 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.158 -4.830 -7.795 1.00 0.00 C ATOM 1324 C GLU A 86 -7.867 -4.273 -7.209 1.00 0.00 C ATOM 1325 O GLU A 86 -7.130 -3.788 -8.054 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.959 -5.143 -9.278 1.00 0.00 C ATOM 1327 CG GLU A 86 -10.157 -5.734 -10.024 1.00 0.00 C ATOM 1328 CD GLU A 86 -10.031 -5.727 -11.541 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -9.485 -6.706 -12.049 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -10.439 -4.801 -12.236 1.00 0.00 O ATOM 0 H GLU A 86 -10.931 -4.450 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.347 -5.753 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.664 -4.223 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.125 -5.838 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.304 -6.761 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.052 -5.177 -9.745 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.753 -4.399 -5.902 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.537 -3.883 -5.264 1.00 0.00 C ATOM 1339 C LEU A 87 -5.529 -4.934 -4.964 1.00 0.00 C ATOM 1340 O LEU A 87 -5.180 -5.233 -3.859 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.940 -2.966 -4.083 1.00 0.00 C ATOM 1342 CG LEU A 87 -8.011 -1.895 -4.457 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -9.327 -2.299 -3.760 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -7.653 -0.523 -3.949 1.00 0.00 C ATOM 0 H LEU A 87 -8.439 -4.827 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.988 -3.260 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.324 -3.583 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.050 -2.461 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.086 -1.855 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.103 -1.572 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.635 -3.285 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.174 -2.326 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.430 0.185 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.568 -0.548 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.702 -0.212 -4.381 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.099 -5.452 -6.117 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.095 -6.506 -6.083 1.00 0.00 C ATOM 1358 C ILE A 88 -2.798 -5.695 -5.814 1.00 0.00 C ATOM 1359 O ILE A 88 -2.910 -4.498 -5.608 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.108 -7.054 -7.496 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.515 -7.628 -7.773 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.148 -8.150 -7.902 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.706 -7.975 -9.255 1.00 0.00 C ATOM 0 H ILE A 88 -5.416 -5.172 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.221 -7.317 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.791 -6.183 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.669 -8.521 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.270 -6.903 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.311 -8.407 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.123 -7.804 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.317 -9.030 -7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.708 -8.376 -9.409 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.578 -7.076 -9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.968 -8.720 -9.552 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.693 -6.416 -5.840 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.375 -5.826 -5.603 1.00 0.00 C ATOM 1377 C ALA A 89 0.618 -6.713 -6.312 1.00 0.00 C ATOM 1378 O ALA A 89 1.361 -7.459 -5.745 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.153 -5.732 -4.081 1.00 0.00 C ATOM 0 H ALA A 89 -1.675 -7.419 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.268 -4.813 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.825 -5.294 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.928 -5.106 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.199 -6.730 -3.644 1.00 0.00 H new ATOM 1385 N VAL A 90 0.545 -6.540 -7.619 1.00 0.00 N ATOM 1386 CA VAL A 90 1.407 -7.283 -8.475 1.00 0.00 C ATOM 1387 C VAL A 90 2.837 -6.857 -8.087 1.00 0.00 C ATOM 1388 O VAL A 90 3.235 -5.720 -8.353 1.00 0.00 O ATOM 1389 CB VAL A 90 1.237 -6.939 -9.946 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.542 -7.192 -10.730 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.248 -7.786 -10.713 1.00 0.00 C ATOM 0 H VAL A 90 -0.095 -5.900 -8.090 1.00 0.00 H new ATOM 0 HA VAL A 90 1.189 -8.344 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 90 0.906 -5.902 -9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.391 -6.937 -11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.340 -6.574 -10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.818 -8.243 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.209 -7.451 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.560 -8.830 -10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.740 -7.689 -10.263 1.00 0.00 H new ATOM 1401 N ARG A 91 3.559 -7.809 -7.457 1.00 0.00 N ATOM 1402 CA ARG A 91 4.856 -7.355 -7.130 1.00 0.00 C ATOM 1403 C ARG A 91 5.823 -8.475 -6.809 1.00 0.00 C ATOM 1404 O ARG A 91 5.478 -9.579 -6.538 1.00 0.00 O ATOM 1405 CB ARG A 91 4.863 -6.504 -5.827 1.00 0.00 C ATOM 1406 CG ARG A 91 6.045 -5.592 -5.717 1.00 0.00 C ATOM 1407 CD ARG A 91 6.369 -4.749 -6.961 1.00 0.00 C ATOM 1408 NE ARG A 91 7.620 -5.222 -7.554 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.798 -5.351 -8.871 1.00 0.00 C ATOM 1410 NH1 ARG A 91 6.854 -5.066 -9.770 1.00 0.00 N ATOM 1411 NH2 ARG A 91 8.968 -5.788 -9.377 1.00 0.00 N ATOM 0 H ARG A 91 3.288 -8.760 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 91 5.154 -6.797 -8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.950 -5.910 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.848 -7.172 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.879 -4.916 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.921 -6.194 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.559 -4.824 -7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.457 -3.697 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 91 8.392 -5.464 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.941 -4.731 -9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.045 -5.183 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.737 -6.027 -8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.085 -5.880 -10.386 1.00 0.00 H new ATOM 1425 N GLU A 92 7.062 -7.970 -6.896 1.00 0.00 N ATOM 1426 CA GLU A 92 8.202 -8.821 -6.628 1.00 0.00 C ATOM 1427 C GLU A 92 9.294 -7.837 -6.160 1.00 0.00 C ATOM 1428 O GLU A 92 9.583 -6.966 -6.976 1.00 0.00 O ATOM 1429 CB GLU A 92 8.468 -9.519 -7.945 1.00 0.00 C ATOM 1430 CG GLU A 92 7.648 -9.002 -9.160 1.00 0.00 C ATOM 1431 CD GLU A 92 8.108 -9.713 -10.419 1.00 0.00 C ATOM 1432 OE1 GLU A 92 8.438 -10.902 -10.324 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.129 -9.054 -11.445 1.00 0.00 O ATOM 0 H GLU A 92 7.285 -7.006 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 92 8.105 -9.595 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.528 -9.423 -8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.265 -10.582 -7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.585 -9.179 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.779 -7.925 -9.269 1.00 0.00 H new ATOM 1440 N ILE A 93 9.763 -8.086 -4.929 1.00 0.00 N ATOM 1441 CA ILE A 93 10.798 -7.193 -4.411 1.00 0.00 C ATOM 1442 C ILE A 93 11.933 -6.962 -5.399 1.00 0.00 C ATOM 1443 O ILE A 93 12.721 -7.892 -5.613 1.00 0.00 O ATOM 1444 CB ILE A 93 11.233 -7.523 -2.972 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.704 -6.165 -2.385 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.421 -8.433 -2.854 1.00 0.00 C ATOM 1447 CD1 ILE A 93 11.653 -6.056 -0.859 1.00 0.00 C ATOM 0 H ILE A 93 9.466 -8.843 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 93 10.332 -6.213 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 93 10.397 -8.020 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.728 -5.983 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.089 -5.372 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.646 -8.603 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.199 -9.385 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.282 -7.973 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.002 -5.070 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.628 -6.200 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.293 -6.821 -0.418 1.00 0.00 H new ATOM 1459 N SER A 94 11.902 -5.730 -5.908 1.00 0.00 N ATOM 1460 CA SER A 94 12.915 -5.361 -6.860 1.00 0.00 C ATOM 1461 C SER A 94 14.279 -5.098 -6.284 1.00 0.00 C ATOM 1462 O SER A 94 14.747 -3.956 -6.264 1.00 0.00 O ATOM 1463 CB SER A 94 12.354 -4.099 -7.578 1.00 0.00 C ATOM 1464 OG SER A 94 13.190 -3.574 -8.542 1.00 0.00 O ATOM 0 H SER A 94 11.216 -5.010 -5.683 1.00 0.00 H new ATOM 0 HA SER A 94 13.096 -6.200 -7.532 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.400 -4.353 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.152 -3.331 -6.832 1.00 0.00 H new ATOM 0 HG SER A 94 14.052 -3.342 -8.137 1.00 0.00 H new ATOM 1470 N GLY A 95 14.970 -6.141 -5.793 1.00 0.00 N ATOM 1471 CA GLY A 95 16.299 -5.914 -5.223 1.00 0.00 C ATOM 1472 C GLY A 95 16.169 -6.344 -3.731 1.00 0.00 C ATOM 1473 O GLY A 95 15.971 -7.511 -3.451 1.00 0.00 O ATOM 0 H GLY A 95 14.645 -7.108 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.057 -6.502 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.593 -4.868 -5.309 1.00 0.00 H new ATOM 1477 N ASN A 96 16.304 -5.282 -2.919 1.00 0.00 N ATOM 1478 CA ASN A 96 16.209 -5.473 -1.500 1.00 0.00 C ATOM 1479 C ASN A 96 15.380 -4.291 -0.925 1.00 0.00 C ATOM 1480 O ASN A 96 15.803 -3.702 0.069 1.00 0.00 O ATOM 1481 CB ASN A 96 17.620 -5.538 -0.910 1.00 0.00 C ATOM 1482 CG ASN A 96 17.523 -6.327 0.391 1.00 0.00 C ATOM 1483 OD1 ASN A 96 17.450 -5.773 1.466 1.00 0.00 O ATOM 1484 ND2 ASN A 96 17.540 -7.657 0.090 1.00 0.00 N ATOM 0 H ASN A 96 16.473 -4.324 -3.225 1.00 0.00 H new ATOM 0 HA ASN A 96 15.710 -6.408 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.306 -6.022 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.007 -4.536 -0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.486 -8.350 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 96 17.607 -7.959 -0.882 1.00 0.00 H new ATOM 1491 N GLU A 97 14.275 -4.062 -1.609 1.00 0.00 N ATOM 1492 CA GLU A 97 13.291 -3.052 -1.343 1.00 0.00 C ATOM 1493 C GLU A 97 12.197 -3.180 -2.448 1.00 0.00 C ATOM 1494 O GLU A 97 12.605 -3.170 -3.582 1.00 0.00 O ATOM 1495 CB GLU A 97 13.767 -1.636 -1.166 1.00 0.00 C ATOM 1496 CG GLU A 97 15.098 -1.346 -1.876 1.00 0.00 C ATOM 1497 CD GLU A 97 15.075 -1.757 -3.334 1.00 0.00 C ATOM 1498 OE1 GLU A 97 14.302 -1.116 -4.067 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.776 -2.671 -3.757 1.00 0.00 O ATOM 0 H GLU A 97 14.032 -4.624 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 97 12.904 -3.252 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.006 -0.955 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.879 -1.429 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.321 -0.281 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.902 -1.875 -1.365 1.00 0.00 H new ATOM 1506 N LEU A 98 10.991 -3.274 -1.898 1.00 0.00 N ATOM 1507 CA LEU A 98 9.744 -3.404 -2.602 1.00 0.00 C ATOM 1508 C LEU A 98 9.112 -2.043 -2.897 1.00 0.00 C ATOM 1509 O LEU A 98 9.405 -1.012 -2.345 1.00 0.00 O ATOM 1510 CB LEU A 98 8.899 -4.261 -1.630 1.00 0.00 C ATOM 1511 CG LEU A 98 7.695 -4.882 -2.299 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.096 -6.099 -3.136 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.817 -5.468 -1.177 1.00 0.00 C ATOM 0 H LEU A 98 10.863 -3.259 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 98 9.842 -3.858 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.524 -5.049 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.568 -3.640 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 98 7.211 -4.125 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.210 -6.526 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.804 -5.793 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.561 -6.846 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.931 -5.930 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.384 -6.218 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.514 -4.671 -0.498 1.00 0.00 H new ATOM 1525 N ILE A 99 8.187 -2.224 -3.867 1.00 0.00 N ATOM 1526 CA ILE A 99 7.373 -1.190 -4.421 1.00 0.00 C ATOM 1527 C ILE A 99 5.979 -1.488 -3.841 1.00 0.00 C ATOM 1528 O ILE A 99 5.787 -0.841 -2.828 1.00 0.00 O ATOM 1529 CB ILE A 99 7.481 -1.260 -5.956 1.00 0.00 C ATOM 1530 CG1 ILE A 99 8.592 -0.215 -6.279 1.00 0.00 C ATOM 1531 CG2 ILE A 99 6.258 -0.693 -6.612 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.946 -0.510 -5.687 1.00 0.00 C ATOM 0 H ILE A 99 8.003 -3.138 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 99 7.655 -0.166 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 99 7.644 -2.286 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.695 -0.142 -7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.263 0.762 -5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.364 -0.756 -7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.381 -1.260 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.139 0.350 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.646 0.276 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.867 -0.551 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.306 -1.469 -6.061 1.00 0.00 H new ATOM 1544 N GLN A 100 5.242 -2.376 -4.525 1.00 0.00 N ATOM 1545 CA GLN A 100 3.901 -2.784 -4.136 1.00 0.00 C ATOM 1546 C GLN A 100 2.957 -1.848 -4.928 1.00 0.00 C ATOM 1547 O GLN A 100 2.632 -0.768 -4.512 1.00 0.00 O ATOM 1548 CB GLN A 100 3.596 -2.719 -2.662 1.00 0.00 C ATOM 1549 CG GLN A 100 4.425 -3.550 -1.678 1.00 0.00 C ATOM 1550 CD GLN A 100 3.734 -4.919 -1.609 1.00 0.00 C ATOM 1551 OE1 GLN A 100 3.583 -5.612 -2.610 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.321 -5.261 -0.377 1.00 0.00 N ATOM 0 H GLN A 100 5.574 -2.832 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 100 3.776 -3.843 -4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.679 -1.676 -2.358 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.553 -3.006 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.456 -3.648 -2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.458 -3.077 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.483 -4.631 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.846 -6.151 -0.227 1.00 0.00 H new ATOM 1561 N THR A 101 2.609 -2.461 -6.082 1.00 0.00 N ATOM 1562 CA THR A 101 1.748 -1.841 -7.019 1.00 0.00 C ATOM 1563 C THR A 101 0.276 -2.029 -6.694 1.00 0.00 C ATOM 1564 O THR A 101 -0.057 -2.436 -5.599 1.00 0.00 O ATOM 1565 CB THR A 101 1.944 -2.334 -8.458 1.00 0.00 C ATOM 1566 OG1 THR A 101 1.244 -3.485 -8.813 1.00 0.00 O ATOM 1567 CG2 THR A 101 3.422 -2.463 -8.848 1.00 0.00 C ATOM 0 H THR A 101 2.932 -3.389 -6.355 1.00 0.00 H new ATOM 0 HA THR A 101 2.025 -0.789 -6.945 1.00 0.00 H new ATOM 0 HB THR A 101 1.491 -1.533 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.826 -4.267 -8.710 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.497 -2.816 -9.877 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.907 -1.491 -8.761 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.913 -3.174 -8.184 1.00 0.00 H new ATOM 1575 N TYR A 102 -0.502 -1.701 -7.715 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.926 -1.899 -7.373 1.00 0.00 C ATOM 1577 C TYR A 102 -2.607 -2.084 -8.765 1.00 0.00 C ATOM 1578 O TYR A 102 -3.018 -1.101 -9.316 1.00 0.00 O ATOM 1579 CB TYR A 102 -2.527 -0.746 -6.652 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.917 -0.322 -5.350 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -2.220 -1.052 -4.209 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -1.077 0.734 -5.156 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -1.708 -0.734 -2.974 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.589 1.017 -3.910 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.959 0.215 -2.826 1.00 0.00 C ATOM 1586 OH TYR A 102 -0.469 0.501 -1.560 1.00 0.00 O ATOM 0 H TYR A 102 -0.249 -1.354 -8.640 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.057 -2.741 -6.693 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.506 0.112 -7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.575 -0.980 -6.467 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.882 -1.901 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.794 1.353 -5.994 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.975 -1.337 -2.119 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.078 1.854 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 102 0.116 1.286 -1.605 1.00 0.00 H new ATOM 1596 N THR A 103 -2.633 -3.369 -9.163 1.00 0.00 N ATOM 1597 CA THR A 103 -3.226 -3.761 -10.435 1.00 0.00 C ATOM 1598 C THR A 103 -4.723 -3.568 -10.319 1.00 0.00 C ATOM 1599 O THR A 103 -5.513 -4.466 -10.116 1.00 0.00 O ATOM 1600 CB THR A 103 -2.853 -5.201 -10.758 1.00 0.00 C ATOM 1601 OG1 THR A 103 -1.581 -5.578 -10.274 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.849 -5.624 -12.223 1.00 0.00 C ATOM 0 H THR A 103 -2.250 -4.142 -8.619 1.00 0.00 H new ATOM 0 HA THR A 103 -2.851 -3.149 -11.256 1.00 0.00 H new ATOM 0 HB THR A 103 -3.676 -5.703 -10.250 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.670 -5.941 -9.368 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.565 -6.674 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.845 -5.487 -12.644 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.134 -5.014 -12.776 1.00 0.00 H new ATOM 1610 N TYR A 104 -5.002 -2.262 -10.477 1.00 0.00 N ATOM 1611 CA TYR A 104 -6.325 -1.715 -10.429 1.00 0.00 C ATOM 1612 C TYR A 104 -6.829 -1.370 -11.817 1.00 0.00 C ATOM 1613 O TYR A 104 -6.532 -0.376 -12.468 1.00 0.00 O ATOM 1614 CB TYR A 104 -6.239 -0.487 -9.501 1.00 0.00 C ATOM 1615 CG TYR A 104 -7.394 0.452 -9.578 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -8.611 -0.029 -10.028 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -7.409 1.789 -9.245 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -9.715 0.772 -10.125 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.558 2.531 -9.371 1.00 0.00 C ATOM 1620 CZ TYR A 104 -9.709 1.933 -9.834 1.00 0.00 C ATOM 1621 OH TYR A 104 -10.841 2.696 -9.957 1.00 0.00 O ATOM 0 H TYR A 104 -4.281 -1.560 -10.644 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.048 -2.433 -10.041 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.143 -0.835 -8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -5.328 0.063 -9.737 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.691 -1.068 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.507 2.259 -8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -10.637 0.336 -10.481 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.559 3.579 -9.108 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.649 3.614 -9.674 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.673 -2.303 -12.302 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.286 -2.201 -13.603 1.00 0.00 C ATOM 1633 C GLU A 105 -7.396 -1.837 -14.757 1.00 0.00 C ATOM 1634 O GLU A 105 -7.970 -1.435 -15.785 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.371 -1.106 -13.416 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.761 -1.690 -13.742 1.00 0.00 C ATOM 1637 CD GLU A 105 -11.696 -0.688 -14.381 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.524 0.514 -14.140 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -12.561 -1.189 -15.108 1.00 0.00 O ATOM 0 H GLU A 105 -7.937 -3.143 -11.786 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.645 -3.189 -13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.353 -0.734 -12.392 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.161 -0.257 -14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.641 -2.543 -14.410 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.214 -2.065 -12.824 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.067 -1.968 -14.604 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.249 -1.603 -15.742 1.00 0.00 C ATOM 1648 C GLY A 106 -4.069 -0.718 -15.460 1.00 0.00 C ATOM 1649 O GLY A 106 -3.147 -0.651 -16.287 1.00 0.00 O ATOM 0 H GLY A 106 -5.579 -2.297 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.886 -2.518 -16.209 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -5.884 -1.103 -16.473 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.023 -0.009 -14.311 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.924 0.854 -13.984 1.00 0.00 C ATOM 1655 C VAL A 107 -1.980 0.248 -12.960 1.00 0.00 C ATOM 1656 O VAL A 107 -2.476 -0.411 -12.069 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.499 2.161 -13.424 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.532 2.787 -12.454 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -3.758 3.213 -14.508 1.00 0.00 C ATOM 0 H VAL A 107 -4.756 -0.035 -13.602 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.343 1.020 -14.891 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.440 1.884 -12.949 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.955 3.714 -12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.347 2.099 -11.629 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.593 3.002 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.164 4.115 -14.050 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.822 3.453 -15.013 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.472 2.821 -15.232 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.667 0.537 -13.193 1.00 0.00 N ATOM 1670 CA GLU A 108 0.348 0.019 -12.289 1.00 0.00 C ATOM 1671 C GLU A 108 0.905 1.187 -11.482 1.00 0.00 C ATOM 1672 O GLU A 108 1.895 1.784 -11.867 1.00 0.00 O ATOM 1673 CB GLU A 108 1.420 -0.738 -13.062 1.00 0.00 C ATOM 1674 CG GLU A 108 0.895 -2.168 -13.326 1.00 0.00 C ATOM 1675 CD GLU A 108 1.776 -2.890 -14.325 1.00 0.00 C ATOM 1676 OE1 GLU A 108 1.505 -2.710 -15.507 1.00 0.00 O ATOM 1677 OE2 GLU A 108 2.697 -3.604 -13.892 1.00 0.00 O ATOM 0 H GLU A 108 -0.319 1.101 -13.968 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.081 -0.704 -11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.641 -0.233 -14.002 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.349 -0.772 -12.493 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.864 -2.727 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.127 -2.121 -13.703 1.00 0.00 H new ATOM 1684 N ALA A 109 0.205 1.465 -10.353 1.00 0.00 N ATOM 1685 CA ALA A 109 0.691 2.559 -9.562 1.00 0.00 C ATOM 1686 C ALA A 109 1.384 2.062 -8.255 1.00 0.00 C ATOM 1687 O ALA A 109 0.903 1.114 -7.697 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.544 3.215 -8.933 1.00 0.00 C ATOM 0 H ALA A 109 -0.625 0.979 -10.013 1.00 0.00 H new ATOM 0 HA ALA A 109 1.336 3.160 -10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.234 4.059 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.210 3.567 -9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.067 2.486 -8.314 1.00 0.00 H new ATOM 1694 N LYS A 110 2.439 2.798 -7.955 1.00 0.00 N ATOM 1695 CA LYS A 110 3.129 2.397 -6.762 1.00 0.00 C ATOM 1696 C LYS A 110 3.746 3.603 -6.095 1.00 0.00 C ATOM 1697 O LYS A 110 3.781 4.714 -6.640 1.00 0.00 O ATOM 1698 CB LYS A 110 4.317 1.445 -7.030 1.00 0.00 C ATOM 1699 CG LYS A 110 5.010 1.976 -8.301 1.00 0.00 C ATOM 1700 CD LYS A 110 4.763 1.168 -9.586 1.00 0.00 C ATOM 1701 CE LYS A 110 5.715 1.565 -10.713 1.00 0.00 C ATOM 1702 NZ LYS A 110 5.842 3.022 -10.897 1.00 0.00 N ATOM 0 H LYS A 110 2.805 3.600 -8.469 1.00 0.00 H new ATOM 0 HA LYS A 110 2.376 1.897 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.006 1.434 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.972 0.421 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.681 3.001 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.084 2.012 -8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.880 0.106 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.734 1.316 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.700 1.146 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.367 1.119 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.421 3.216 -11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.898 3.440 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.297 3.439 -10.060 1.00 0.00 H new ATOM 1716 N ARG A 111 4.210 3.224 -4.887 1.00 0.00 N ATOM 1717 CA ARG A 111 4.867 4.258 -4.065 1.00 0.00 C ATOM 1718 C ARG A 111 6.244 3.572 -3.821 1.00 0.00 C ATOM 1719 O ARG A 111 6.311 2.379 -3.547 1.00 0.00 O ATOM 1720 CB ARG A 111 4.090 4.478 -2.798 1.00 0.00 C ATOM 1721 CG ARG A 111 2.559 4.637 -2.941 1.00 0.00 C ATOM 1722 CD ARG A 111 2.156 6.048 -2.548 1.00 0.00 C ATOM 1723 NE ARG A 111 0.911 5.945 -1.835 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.822 5.440 -0.590 1.00 0.00 C ATOM 1725 NH1 ARG A 111 1.942 5.006 0.016 1.00 0.00 N ATOM 1726 NH2 ARG A 111 -0.336 5.353 0.050 1.00 0.00 N ATOM 0 H ARG A 111 4.151 2.289 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 111 4.945 5.251 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.284 3.639 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.481 5.371 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.256 4.434 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.047 3.912 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.922 6.508 -1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.044 6.677 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 111 0.059 6.269 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.838 5.063 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.895 4.620 0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.193 5.674 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.370 4.965 0.993 1.00 0.00 H new ATOM 1740 N ILE A 112 7.279 4.428 -3.941 1.00 0.00 N ATOM 1741 CA ILE A 112 8.580 3.811 -3.711 1.00 0.00 C ATOM 1742 C ILE A 112 8.891 3.658 -2.227 1.00 0.00 C ATOM 1743 O ILE A 112 9.127 4.622 -1.524 1.00 0.00 O ATOM 1744 CB ILE A 112 9.697 4.504 -4.457 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.467 4.350 -5.984 1.00 0.00 C ATOM 1746 CG2 ILE A 112 11.078 3.931 -4.241 1.00 0.00 C ATOM 1747 CD1 ILE A 112 8.606 5.464 -6.573 1.00 0.00 C ATOM 0 H ILE A 112 7.250 5.422 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 112 8.515 2.805 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 112 9.668 5.526 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.432 4.337 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.991 3.389 -6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.803 4.501 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.334 3.988 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.094 2.890 -4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.482 5.300 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.629 5.463 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.092 6.426 -6.407 1.00 0.00 H new ATOM 1759 N PHE A 113 8.856 2.385 -1.897 1.00 0.00 N ATOM 1760 CA PHE A 113 9.118 1.925 -0.567 1.00 0.00 C ATOM 1761 C PHE A 113 10.494 1.237 -0.675 1.00 0.00 C ATOM 1762 O PHE A 113 11.039 1.122 -1.764 1.00 0.00 O ATOM 1763 CB PHE A 113 8.146 0.854 -0.053 1.00 0.00 C ATOM 1764 CG PHE A 113 6.797 1.399 0.219 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.344 2.655 -0.204 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.827 0.696 0.943 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.068 3.105 0.087 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.578 1.236 1.174 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.226 2.497 0.711 1.00 0.00 C ATOM 0 H PHE A 113 8.642 1.639 -2.558 1.00 0.00 H new ATOM 0 HA PHE A 113 9.040 2.771 0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.070 0.054 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.547 0.411 0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.008 3.289 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.060 -0.286 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 113 4.799 4.086 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.853 0.661 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.248 2.916 0.898 1.00 0.00 H new ATOM 1779 N LYS A 114 10.872 0.858 0.556 1.00 0.00 N ATOM 1780 CA LYS A 114 12.137 0.176 0.685 1.00 0.00 C ATOM 1781 C LYS A 114 12.295 -0.467 2.073 1.00 0.00 C ATOM 1782 O LYS A 114 11.365 -0.728 2.781 1.00 0.00 O ATOM 1783 CB LYS A 114 13.318 1.046 0.251 1.00 0.00 C ATOM 1784 CG LYS A 114 13.834 2.139 1.158 1.00 0.00 C ATOM 1785 CD LYS A 114 12.888 2.462 2.349 1.00 0.00 C ATOM 1786 CE LYS A 114 12.914 3.926 2.801 1.00 0.00 C ATOM 1787 NZ LYS A 114 14.067 4.704 2.381 1.00 0.00 N ATOM 0 H LYS A 114 10.347 1.006 1.418 1.00 0.00 H new ATOM 0 HA LYS A 114 12.140 -0.655 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.153 0.377 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.044 1.514 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.808 1.845 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 114 13.986 3.045 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.868 2.200 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.159 1.829 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.015 4.416 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.862 3.950 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 14.106 5.589 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 14.935 4.156 2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.987 4.924 1.368 1.00 0.00 H new ATOM 1801 N LYS A 115 13.545 -0.718 2.411 1.00 0.00 N ATOM 1802 CA LYS A 115 13.983 -1.332 3.654 1.00 0.00 C ATOM 1803 C LYS A 115 14.756 -0.479 4.604 1.00 0.00 C ATOM 1804 O LYS A 115 14.380 0.611 4.990 1.00 0.00 O ATOM 1805 CB LYS A 115 14.654 -2.653 3.170 1.00 0.00 C ATOM 1806 CG LYS A 115 14.581 -3.606 4.375 1.00 0.00 C ATOM 1807 CD LYS A 115 15.785 -4.571 4.381 1.00 0.00 C ATOM 1808 CE LYS A 115 15.542 -5.837 5.175 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.706 -6.702 5.331 1.00 0.00 N ATOM 0 H LYS A 115 14.325 -0.488 1.795 1.00 0.00 H new ATOM 0 HA LYS A 115 13.152 -1.520 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.132 -3.067 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.686 -2.482 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.566 -3.030 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.652 -4.176 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.031 -4.838 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.652 -4.055 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.177 -5.562 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.749 -6.405 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.443 -7.541 5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.045 -7.000 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.461 -6.183 5.824 1.00 0.00 H new ATOM 1823 N GLU A 116 15.926 -1.023 5.009 1.00 0.00 N ATOM 1824 CA GLU A 116 16.795 -0.350 5.934 1.00 0.00 C ATOM 1825 C GLU A 116 18.255 -0.422 5.394 1.00 0.00 C ATOM 1826 O GLU A 116 18.468 -0.162 4.231 1.00 0.00 O ATOM 1827 CB GLU A 116 16.660 -1.156 7.235 1.00 0.00 C ATOM 1828 CG GLU A 116 17.305 -0.566 8.465 1.00 0.00 C ATOM 1829 CD GLU A 116 17.392 -1.616 9.579 1.00 0.00 C ATOM 1830 OE1 GLU A 116 16.335 -2.185 9.850 1.00 0.00 O ATOM 1831 OE2 GLU A 116 18.471 -1.839 10.136 1.00 0.00 O ATOM 1832 OXT GLU A 116 19.159 -0.738 6.177 1.00 0.00 O ATOM 0 H GLU A 116 16.269 -1.930 4.695 1.00 0.00 H new ATOM 0 HA GLU A 116 16.548 0.702 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.599 -1.296 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.086 -2.146 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.303 -0.202 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.728 0.292 8.810 1.00 0.00 H new