USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0771) USER MOD Set 1.2: A 110 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.1) USER MOD Set 2.1: A 18 GLN : amide:sc= -1.87 K(o=-2,f=0.24) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.176 K(o=-2,f=0.24) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -154:sc= 1.35 (180deg=0) USER MOD Set 3.2: A 99 GLN : amide:sc= -0.462 K(o=0.89,f=-8.7!) USER MOD Set 4.1: A 79 CYS SG : rot -169:sc= -1.4 USER MOD Set 4.2: A 83 ASN : amide:sc= -0.307 K(o=-1.7,f=-2.9) USER MOD Set 5.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 48 MET CE :methyl 152:sc= -0.0263 (180deg=-0.601) USER MOD Set 5.3: A 56 ASN : amide:sc= 0.259 K(o=0.34,f=-1.1) USER MOD Set 5.4: A 62 TYR OH : rot 0:sc= 0.111 USER MOD Set 6.1: A 20 GLN : amide:sc= 0 X(o=0,f=0.0049) USER MOD Set 6.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -21:sc= 0.451 USER MOD Single : A 15 THR OG1 : rot 57:sc= 1.29 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.36! C(o=-3.4!,f=-4.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.032) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0741) USER MOD Single : A 52 THR OG1 : rot 135:sc= 0.161 USER MOD Single : A 53 MET CE :methyl -161:sc= -0.316 (180deg=-1.43) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.785 K(o=-0.79,f=-4.5!) USER MOD Single : A 73 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -4.99! C(o=-5!,f=-9.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 60:sc= -2.06 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -19:sc= 0.141 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0343) USER MOD Single : A 114 MET CE :methyl -111:sc= -3.79! (180deg=-7.05!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 0.037 20.133 1.309 1.00 0.00 N ATOM 49 CA SER A 6 0.341 19.434 2.552 1.00 0.00 C ATOM 50 C SER A 6 -0.829 18.551 2.979 1.00 0.00 C ATOM 51 O SER A 6 -0.667 17.351 3.200 1.00 0.00 O ATOM 52 CB SER A 6 0.667 20.437 3.660 1.00 0.00 C ATOM 53 OG SER A 6 -0.095 21.623 3.515 1.00 0.00 O ATOM 0 HA SER A 6 1.210 18.799 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.465 19.988 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.730 20.678 3.635 1.00 0.00 H new ATOM 0 HG SER A 6 -0.403 21.703 2.588 1.00 0.00 H new ATOM 59 N GLY A 7 -2.007 19.155 3.093 1.00 0.00 N ATOM 60 CA GLY A 7 -3.188 18.411 3.493 1.00 0.00 C ATOM 61 C GLY A 7 -3.243 17.032 2.866 1.00 0.00 C ATOM 62 O GLY A 7 -3.494 16.040 3.551 1.00 0.00 O ATOM 0 H GLY A 7 -2.166 20.147 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.203 18.314 4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.080 18.971 3.211 1.00 0.00 H new ATOM 66 N PHE A 8 -3.009 16.968 1.560 1.00 0.00 N ATOM 67 CA PHE A 8 -3.035 15.700 0.839 1.00 0.00 C ATOM 68 C PHE A 8 -2.102 14.685 1.490 1.00 0.00 C ATOM 69 O PHE A 8 -2.427 13.501 1.593 1.00 0.00 O ATOM 70 CB PHE A 8 -2.638 15.912 -0.623 1.00 0.00 C ATOM 71 CG PHE A 8 -2.447 14.631 -1.383 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.535 13.945 -1.896 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.178 14.113 -1.586 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.362 12.766 -2.595 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.997 12.934 -2.285 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.091 12.260 -2.791 1.00 0.00 C ATOM 0 H PHE A 8 -2.799 17.779 0.979 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.052 15.309 0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.406 16.507 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.714 16.489 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.531 14.336 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.319 14.637 -1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.220 12.240 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.002 12.541 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.954 11.339 -3.339 1.00 0.00 H new ATOM 86 N LEU A 9 -0.939 15.155 1.928 1.00 0.00 N ATOM 87 CA LEU A 9 0.044 14.289 2.569 1.00 0.00 C ATOM 88 C LEU A 9 -0.554 13.598 3.791 1.00 0.00 C ATOM 89 O LEU A 9 -0.253 12.436 4.068 1.00 0.00 O ATOM 90 CB LEU A 9 1.276 15.098 2.979 1.00 0.00 C ATOM 91 CG LEU A 9 2.006 15.827 1.850 1.00 0.00 C ATOM 92 CD1 LEU A 9 3.248 16.527 2.381 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.374 14.855 0.738 1.00 0.00 C ATOM 0 H LEU A 9 -0.654 16.131 1.851 1.00 0.00 H new ATOM 0 HA LEU A 9 0.341 13.525 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.971 15.834 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.982 14.426 3.467 1.00 0.00 H new ATOM 0 HG LEU A 9 1.336 16.582 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.754 17.040 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.960 17.253 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.921 15.790 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.893 15.391 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.025 14.077 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.468 14.400 0.338 1.00 0.00 H new ATOM 105 N ILE A 10 -1.401 14.319 4.516 1.00 0.00 N ATOM 106 CA ILE A 10 -2.044 13.773 5.705 1.00 0.00 C ATOM 107 C ILE A 10 -3.019 12.659 5.342 1.00 0.00 C ATOM 108 O ILE A 10 -3.096 11.638 6.026 1.00 0.00 O ATOM 109 CB ILE A 10 -2.797 14.864 6.489 1.00 0.00 C ATOM 110 CG1 ILE A 10 -1.806 15.828 7.145 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.705 14.235 7.535 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.293 16.899 6.208 1.00 0.00 C ATOM 0 H ILE A 10 -1.658 15.282 4.302 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.251 13.367 6.333 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.416 15.429 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.287 16.304 7.999 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.960 15.259 7.531 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.230 15.019 8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.431 13.586 7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.106 13.648 8.231 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.596 17.545 6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.783 16.432 5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.130 17.493 5.841 1.00 0.00 H new ATOM 124 N LEU A 11 -3.762 12.861 4.259 1.00 0.00 N ATOM 125 CA LEU A 11 -4.732 11.873 3.802 1.00 0.00 C ATOM 126 C LEU A 11 -4.078 10.505 3.631 1.00 0.00 C ATOM 127 O LEU A 11 -4.669 9.476 3.960 1.00 0.00 O ATOM 128 CB LEU A 11 -5.360 12.319 2.479 1.00 0.00 C ATOM 129 CG LEU A 11 -6.295 11.313 1.808 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.610 11.216 2.568 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.544 11.701 0.357 1.00 0.00 C ATOM 0 H LEU A 11 -3.711 13.700 3.681 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.512 11.790 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.916 13.240 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.558 12.560 1.782 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.816 10.334 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.263 10.495 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.416 10.891 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.094 12.192 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.212 10.974 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.002 12.690 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.597 11.718 -0.183 1.00 0.00 H new ATOM 143 N LEU A 12 -2.853 10.501 3.116 1.00 0.00 N ATOM 144 CA LEU A 12 -2.116 9.261 2.904 1.00 0.00 C ATOM 145 C LEU A 12 -1.707 8.636 4.235 1.00 0.00 C ATOM 146 O LEU A 12 -1.890 7.438 4.450 1.00 0.00 O ATOM 147 CB LEU A 12 -0.876 9.521 2.047 1.00 0.00 C ATOM 148 CG LEU A 12 -1.118 9.675 0.545 1.00 0.00 C ATOM 149 CD1 LEU A 12 -2.380 10.484 0.288 1.00 0.00 C ATOM 150 CD2 LEU A 12 0.082 10.329 -0.124 1.00 0.00 C ATOM 0 H LEU A 12 -2.350 11.343 2.838 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.771 8.563 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.391 10.427 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.175 8.700 2.199 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.253 8.683 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.536 10.583 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.235 9.976 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.274 11.474 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.108 10.431 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.248 11.315 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.966 9.711 0.030 1.00 0.00 H new ATOM 162 N ARG A 13 -1.155 9.456 5.123 1.00 0.00 N ATOM 163 CA ARG A 13 -0.721 8.984 6.432 1.00 0.00 C ATOM 164 C ARG A 13 -1.881 8.347 7.191 1.00 0.00 C ATOM 165 O ARG A 13 -1.706 7.351 7.893 1.00 0.00 O ATOM 166 CB ARG A 13 -0.137 10.140 7.246 1.00 0.00 C ATOM 167 CG ARG A 13 1.067 10.797 6.593 1.00 0.00 C ATOM 168 CD ARG A 13 1.556 11.991 7.399 1.00 0.00 C ATOM 169 NE ARG A 13 2.296 11.581 8.589 1.00 0.00 N ATOM 170 CZ ARG A 13 1.718 11.281 9.747 1.00 0.00 C ATOM 171 NH1 ARG A 13 0.399 11.343 9.869 1.00 0.00 N ATOM 172 NH2 ARG A 13 2.459 10.916 10.786 1.00 0.00 N ATOM 0 H ARG A 13 -0.998 10.450 4.960 1.00 0.00 H new ATOM 0 HA ARG A 13 0.051 8.229 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.911 10.892 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.150 9.771 8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.872 10.068 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.805 11.120 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.194 12.615 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.704 12.602 7.695 1.00 0.00 H new ATOM 0 HE ARG A 13 3.312 11.522 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.174 11.622 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.042 11.112 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.474 10.866 10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.014 10.686 11.674 1.00 0.00 H new ATOM 186 N LYS A 14 -3.067 8.930 7.048 1.00 0.00 N ATOM 187 CA LYS A 14 -4.257 8.420 7.719 1.00 0.00 C ATOM 188 C LYS A 14 -4.799 7.186 7.004 1.00 0.00 C ATOM 189 O LYS A 14 -5.238 6.229 7.641 1.00 0.00 O ATOM 190 CB LYS A 14 -5.337 9.503 7.780 1.00 0.00 C ATOM 191 CG LYS A 14 -6.703 8.978 8.185 1.00 0.00 C ATOM 192 CD LYS A 14 -7.517 8.551 6.975 1.00 0.00 C ATOM 193 CE LYS A 14 -8.216 9.735 6.326 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.383 10.198 7.127 1.00 0.00 N ATOM 0 H LYS A 14 -3.229 9.757 6.473 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.978 8.136 8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.028 10.272 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.416 9.981 6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.583 8.131 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.243 9.750 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.864 8.070 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.258 7.811 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.508 10.555 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.549 9.456 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.949 10.863 6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.969 9.381 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.046 10.674 7.988 1.00 0.00 H new ATOM 208 N THR A 15 -4.765 7.216 5.675 1.00 0.00 N ATOM 209 CA THR A 15 -5.252 6.100 4.874 1.00 0.00 C ATOM 210 C THR A 15 -4.409 4.850 5.101 1.00 0.00 C ATOM 211 O THR A 15 -4.941 3.750 5.256 1.00 0.00 O ATOM 212 CB THR A 15 -5.248 6.443 3.372 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.148 7.526 3.114 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.648 5.234 2.540 1.00 0.00 C ATOM 0 H THR A 15 -4.405 8.001 5.131 1.00 0.00 H new ATOM 0 HA THR A 15 -6.276 5.906 5.192 1.00 0.00 H new ATOM 0 HB THR A 15 -4.237 6.738 3.092 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.892 8.301 3.657 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.638 5.500 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.943 4.422 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.650 4.913 2.824 1.00 0.00 H new ATOM 222 N LEU A 16 -3.093 5.026 5.119 1.00 0.00 N ATOM 223 CA LEU A 16 -2.175 3.911 5.328 1.00 0.00 C ATOM 224 C LEU A 16 -2.528 3.147 6.600 1.00 0.00 C ATOM 225 O LEU A 16 -2.450 1.919 6.639 1.00 0.00 O ATOM 226 CB LEU A 16 -0.734 4.420 5.407 1.00 0.00 C ATOM 227 CG LEU A 16 0.300 3.423 5.934 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.453 2.255 4.972 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.639 4.113 6.155 1.00 0.00 C ATOM 0 H LEU A 16 -2.637 5.929 4.992 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.268 3.231 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.427 4.740 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.716 5.304 6.045 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.050 3.036 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.192 1.556 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.505 1.746 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.781 2.624 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.363 3.390 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.995 4.527 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.519 4.916 6.882 1.00 0.00 H new ATOM 241 N GLU A 17 -2.918 3.881 7.638 1.00 0.00 N ATOM 242 CA GLU A 17 -3.284 3.272 8.910 1.00 0.00 C ATOM 243 C GLU A 17 -4.552 2.434 8.768 1.00 0.00 C ATOM 244 O GLU A 17 -4.639 1.326 9.295 1.00 0.00 O ATOM 245 CB GLU A 17 -3.488 4.348 9.977 1.00 0.00 C ATOM 246 CG GLU A 17 -2.213 5.086 10.350 1.00 0.00 C ATOM 247 CD GLU A 17 -2.301 5.756 11.707 1.00 0.00 C ATOM 248 OE1 GLU A 17 -3.260 6.525 11.928 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.411 5.510 12.548 1.00 0.00 O ATOM 0 H GLU A 17 -2.988 4.898 7.622 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.469 2.617 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.223 5.069 9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.905 3.886 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.379 4.385 10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.998 5.838 9.591 1.00 0.00 H new ATOM 256 N GLN A 18 -5.532 2.975 8.050 1.00 0.00 N ATOM 257 CA GLN A 18 -6.796 2.278 7.839 1.00 0.00 C ATOM 258 C GLN A 18 -6.567 0.921 7.181 1.00 0.00 C ATOM 259 O GLN A 18 -7.300 -0.036 7.436 1.00 0.00 O ATOM 260 CB GLN A 18 -7.732 3.126 6.975 1.00 0.00 C ATOM 261 CG GLN A 18 -8.178 4.415 7.646 1.00 0.00 C ATOM 262 CD GLN A 18 -9.351 5.065 6.939 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.508 4.733 7.198 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.058 5.996 6.040 1.00 0.00 N ATOM 0 H GLN A 18 -5.475 3.891 7.606 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.259 2.115 8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.229 3.369 6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.612 2.536 6.720 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.452 4.206 8.680 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.342 5.114 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.085 6.240 5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.806 6.468 5.532 1.00 0.00 H new ATOM 273 N LEU A 19 -5.547 0.845 6.334 1.00 0.00 N ATOM 274 CA LEU A 19 -5.221 -0.395 5.638 1.00 0.00 C ATOM 275 C LEU A 19 -4.662 -1.433 6.608 1.00 0.00 C ATOM 276 O LEU A 19 -5.028 -2.606 6.553 1.00 0.00 O ATOM 277 CB LEU A 19 -4.210 -0.127 4.522 1.00 0.00 C ATOM 278 CG LEU A 19 -4.732 0.656 3.317 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.577 1.192 2.486 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.642 -0.219 2.467 1.00 0.00 C ATOM 0 H LEU A 19 -4.931 1.627 6.112 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.138 -0.789 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.367 0.418 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.826 -1.084 4.169 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.312 1.503 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.969 1.746 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.965 1.854 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.968 0.361 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.005 0.354 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.085 -1.086 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.489 -0.553 3.066 1.00 0.00 H new ATOM 292 N GLN A 20 -3.776 -0.989 7.494 1.00 0.00 N ATOM 293 CA GLN A 20 -3.169 -1.880 8.476 1.00 0.00 C ATOM 294 C GLN A 20 -4.236 -2.582 9.309 1.00 0.00 C ATOM 295 O GLN A 20 -4.094 -3.754 9.656 1.00 0.00 O ATOM 296 CB GLN A 20 -2.225 -1.097 9.391 1.00 0.00 C ATOM 297 CG GLN A 20 -0.976 -0.591 8.688 1.00 0.00 C ATOM 298 CD GLN A 20 0.216 -0.488 9.619 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.622 0.609 10.005 1.00 0.00 O ATOM 300 NE2 GLN A 20 0.784 -1.630 9.985 1.00 0.00 N ATOM 0 H GLN A 20 -3.463 -0.020 7.552 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.599 -2.637 7.938 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.763 -0.248 9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.930 -1.734 10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.731 -1.260 7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.179 0.388 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.415 -2.516 9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.590 -1.621 10.610 1.00 0.00 H new ATOM 309 N GLU A 21 -5.305 -1.857 9.624 1.00 0.00 N ATOM 310 CA GLU A 21 -6.396 -2.411 10.417 1.00 0.00 C ATOM 311 C GLU A 21 -6.751 -3.819 9.945 1.00 0.00 C ATOM 312 O GLU A 21 -7.084 -4.690 10.749 1.00 0.00 O ATOM 313 CB GLU A 21 -7.628 -1.508 10.333 1.00 0.00 C ATOM 314 CG GLU A 21 -7.430 -0.148 10.980 1.00 0.00 C ATOM 315 CD GLU A 21 -7.123 -0.246 12.462 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.076 -0.393 13.257 1.00 0.00 O ATOM 317 OE2 GLU A 21 -5.931 -0.175 12.827 1.00 0.00 O ATOM 0 H GLU A 21 -5.439 -0.886 9.342 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.065 -2.466 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.894 -1.367 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.469 -2.010 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.615 0.374 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.329 0.452 10.838 1.00 0.00 H new ATOM 324 N LYS A 22 -6.678 -4.034 8.636 1.00 0.00 N ATOM 325 CA LYS A 22 -6.990 -5.334 8.055 1.00 0.00 C ATOM 326 C LYS A 22 -5.861 -6.328 8.308 1.00 0.00 C ATOM 327 O LYS A 22 -6.104 -7.516 8.525 1.00 0.00 O ATOM 328 CB LYS A 22 -7.235 -5.198 6.551 1.00 0.00 C ATOM 329 CG LYS A 22 -8.302 -4.176 6.198 1.00 0.00 C ATOM 330 CD LYS A 22 -9.678 -4.624 6.663 1.00 0.00 C ATOM 331 CE LYS A 22 -10.717 -3.532 6.461 1.00 0.00 C ATOM 332 NZ LYS A 22 -12.094 -4.017 6.749 1.00 0.00 N ATOM 0 H LYS A 22 -6.405 -3.324 7.957 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.895 -5.709 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.301 -4.919 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.527 -6.169 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.056 -3.218 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.314 -4.019 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.976 -5.517 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.636 -4.897 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.487 -2.687 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.667 -3.169 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.781 -3.451 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.175 -5.016 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.290 -3.923 7.766 1.00 0.00 H new ATOM 346 N ASP A 23 -4.628 -5.835 8.281 1.00 0.00 N ATOM 347 CA ASP A 23 -3.462 -6.681 8.512 1.00 0.00 C ATOM 348 C ASP A 23 -3.433 -7.189 9.949 1.00 0.00 C ATOM 349 O ASP A 23 -3.281 -6.411 10.892 1.00 0.00 O ATOM 350 CB ASP A 23 -2.177 -5.909 8.205 1.00 0.00 C ATOM 351 CG ASP A 23 -0.958 -6.532 8.857 1.00 0.00 C ATOM 352 OD1 ASP A 23 -0.963 -7.761 9.070 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.001 -5.789 9.154 1.00 0.00 O ATOM 0 H ASP A 23 -4.410 -4.855 8.102 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.530 -7.540 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.029 -5.871 7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.284 -4.880 8.549 1.00 0.00 H new ATOM 358 N THR A 24 -3.582 -8.500 10.112 1.00 0.00 N ATOM 359 CA THR A 24 -3.577 -9.112 11.435 1.00 0.00 C ATOM 360 C THR A 24 -2.416 -10.090 11.583 1.00 0.00 C ATOM 361 O THR A 24 -1.917 -10.313 12.684 1.00 0.00 O ATOM 362 CB THR A 24 -4.897 -9.853 11.717 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.026 -10.976 10.837 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.088 -8.923 11.538 1.00 0.00 C ATOM 0 H THR A 24 -3.708 -9.159 9.343 1.00 0.00 H new ATOM 0 HA THR A 24 -3.463 -8.303 12.157 1.00 0.00 H new ATOM 0 HB THR A 24 -4.880 -10.201 12.750 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.867 -11.443 11.024 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.009 -9.468 11.742 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.002 -8.084 12.229 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.107 -8.549 10.514 1.00 0.00 H new ATOM 372 N GLY A 25 -1.992 -10.672 10.465 1.00 0.00 N ATOM 373 CA GLY A 25 -0.894 -11.619 10.492 1.00 0.00 C ATOM 374 C GLY A 25 0.460 -10.939 10.448 1.00 0.00 C ATOM 375 O GLY A 25 1.494 -11.603 10.404 1.00 0.00 O ATOM 0 H GLY A 25 -2.390 -10.504 9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.963 -12.225 11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.983 -12.298 9.644 1.00 0.00 H new ATOM 379 N ASN A 26 0.453 -9.611 10.458 1.00 0.00 N ATOM 380 CA ASN A 26 1.691 -8.839 10.416 1.00 0.00 C ATOM 381 C ASN A 26 2.676 -9.445 9.422 1.00 0.00 C ATOM 382 O ASN A 26 3.863 -9.586 9.718 1.00 0.00 O ATOM 383 CB ASN A 26 2.324 -8.778 11.807 1.00 0.00 C ATOM 384 CG ASN A 26 2.345 -10.129 12.494 1.00 0.00 C ATOM 385 OD1 ASN A 26 1.325 -10.598 12.998 1.00 0.00 O ATOM 386 ND2 ASN A 26 3.512 -10.763 12.515 1.00 0.00 N ATOM 0 H ASN A 26 -0.395 -9.046 10.495 1.00 0.00 H new ATOM 0 HA ASN A 26 1.450 -7.828 10.089 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.343 -8.401 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.772 -8.069 12.423 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.588 -11.677 12.962 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.332 -10.336 12.084 1.00 0.00 H new ATOM 393 N ILE A 27 2.176 -9.803 8.244 1.00 0.00 N ATOM 394 CA ILE A 27 3.012 -10.392 7.206 1.00 0.00 C ATOM 395 C ILE A 27 3.573 -9.320 6.278 1.00 0.00 C ATOM 396 O ILE A 27 4.708 -9.419 5.811 1.00 0.00 O ATOM 397 CB ILE A 27 2.230 -11.421 6.370 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.690 -12.537 7.269 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.115 -11.998 5.276 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.676 -13.425 6.585 1.00 0.00 C ATOM 0 H ILE A 27 1.195 -9.695 7.985 1.00 0.00 H new ATOM 0 HA ILE A 27 3.834 -10.897 7.712 1.00 0.00 H new ATOM 0 HB ILE A 27 1.385 -10.917 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.523 -13.149 7.615 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.234 -12.092 8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.547 -12.724 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.456 -11.195 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.977 -12.489 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.337 -14.193 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.175 -12.825 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.134 -13.899 5.717 1.00 0.00 H new ATOM 412 N PHE A 28 2.770 -8.295 6.014 1.00 0.00 N ATOM 413 CA PHE A 28 3.187 -7.203 5.141 1.00 0.00 C ATOM 414 C PHE A 28 3.655 -6.002 5.959 1.00 0.00 C ATOM 415 O PHE A 28 4.355 -5.126 5.450 1.00 0.00 O ATOM 416 CB PHE A 28 2.036 -6.789 4.222 1.00 0.00 C ATOM 417 CG PHE A 28 1.224 -7.950 3.720 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.131 -8.409 4.437 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.553 -8.579 2.531 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.616 -9.477 3.977 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.809 -9.647 2.065 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.278 -10.096 2.789 1.00 0.00 C ATOM 0 H PHE A 28 1.827 -8.197 6.391 1.00 0.00 H new ATOM 0 HA PHE A 28 4.021 -7.555 4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.381 -6.103 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.440 -6.243 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.140 -7.927 5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.401 -8.231 1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.464 -9.828 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.077 -10.129 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.862 -10.929 2.427 1.00 0.00 H new ATOM 432 N SER A 29 3.263 -5.968 7.229 1.00 0.00 N ATOM 433 CA SER A 29 3.639 -4.873 8.116 1.00 0.00 C ATOM 434 C SER A 29 5.141 -4.617 8.055 1.00 0.00 C ATOM 435 O SER A 29 5.614 -3.548 8.441 1.00 0.00 O ATOM 436 CB SER A 29 3.221 -5.188 9.553 1.00 0.00 C ATOM 437 OG SER A 29 2.982 -3.999 10.287 1.00 0.00 O ATOM 0 H SER A 29 2.685 -6.686 7.667 1.00 0.00 H new ATOM 0 HA SER A 29 3.121 -3.973 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.321 -5.802 9.547 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.001 -5.771 10.043 1.00 0.00 H new ATOM 0 HG SER A 29 2.715 -4.227 11.202 1.00 0.00 H new ATOM 443 N GLU A 30 5.885 -5.604 7.568 1.00 0.00 N ATOM 444 CA GLU A 30 7.334 -5.486 7.457 1.00 0.00 C ATOM 445 C GLU A 30 7.817 -5.970 6.094 1.00 0.00 C ATOM 446 O GLU A 30 7.200 -6.821 5.454 1.00 0.00 O ATOM 447 CB GLU A 30 8.019 -6.285 8.567 1.00 0.00 C ATOM 448 CG GLU A 30 7.416 -6.059 9.943 1.00 0.00 C ATOM 449 CD GLU A 30 8.371 -6.412 11.066 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.735 -7.601 11.181 1.00 0.00 O ATOM 451 OE2 GLU A 30 8.754 -5.501 11.828 1.00 0.00 O ATOM 0 H GLU A 30 5.508 -6.495 7.244 1.00 0.00 H new ATOM 0 HA GLU A 30 7.596 -4.433 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.964 -7.347 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.076 -6.019 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.120 -5.014 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.510 -6.657 10.041 1.00 0.00 H new ATOM 458 N PRO A 31 8.950 -5.415 5.636 1.00 0.00 N ATOM 459 CA PRO A 31 9.542 -5.774 4.344 1.00 0.00 C ATOM 460 C PRO A 31 10.119 -7.186 4.343 1.00 0.00 C ATOM 461 O PRO A 31 10.873 -7.560 5.241 1.00 0.00 O ATOM 462 CB PRO A 31 10.657 -4.741 4.166 1.00 0.00 C ATOM 463 CG PRO A 31 11.014 -4.326 5.551 1.00 0.00 C ATOM 464 CD PRO A 31 9.739 -4.394 6.345 1.00 0.00 C ATOM 0 HA PRO A 31 8.804 -5.768 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.515 -5.170 3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.318 -3.891 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.772 -4.986 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.427 -3.317 5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.925 -4.678 7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.226 -3.432 6.365 1.00 0.00 H new ATOM 472 N VAL A 32 9.758 -7.967 3.330 1.00 0.00 N ATOM 473 CA VAL A 32 10.241 -9.338 3.212 1.00 0.00 C ATOM 474 C VAL A 32 11.760 -9.397 3.330 1.00 0.00 C ATOM 475 O VAL A 32 12.492 -8.773 2.561 1.00 0.00 O ATOM 476 CB VAL A 32 9.816 -9.969 1.873 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.274 -11.417 1.796 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.309 -9.867 1.691 1.00 0.00 C ATOM 0 H VAL A 32 9.133 -7.674 2.579 1.00 0.00 H new ATOM 0 HA VAL A 32 9.794 -9.903 4.030 1.00 0.00 H new ATOM 0 HB VAL A 32 10.295 -9.418 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.965 -11.846 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.360 -11.460 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.826 -11.984 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.026 -10.318 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.808 -10.392 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.012 -8.818 1.698 1.00 0.00 H new ATOM 488 N PRO A 33 12.247 -10.166 4.315 1.00 0.00 N ATOM 489 CA PRO A 33 13.684 -10.327 4.557 1.00 0.00 C ATOM 490 C PRO A 33 14.370 -11.130 3.457 1.00 0.00 C ATOM 491 O PRO A 33 13.845 -12.144 2.995 1.00 0.00 O ATOM 492 CB PRO A 33 13.738 -11.085 5.886 1.00 0.00 C ATOM 493 CG PRO A 33 12.441 -11.816 5.958 1.00 0.00 C ATOM 494 CD PRO A 33 11.433 -10.938 5.269 1.00 0.00 C ATOM 0 HA PRO A 33 14.204 -9.369 4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.583 -11.773 5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.855 -10.402 6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.512 -12.787 5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.154 -12.002 6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.669 -11.526 4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.917 -10.288 5.975 1.00 0.00 H new ATOM 502 N LEU A 34 15.546 -10.672 3.043 1.00 0.00 N ATOM 503 CA LEU A 34 16.305 -11.349 1.997 1.00 0.00 C ATOM 504 C LEU A 34 16.942 -12.630 2.528 1.00 0.00 C ATOM 505 O LEU A 34 17.268 -13.536 1.763 1.00 0.00 O ATOM 506 CB LEU A 34 17.387 -10.421 1.443 1.00 0.00 C ATOM 507 CG LEU A 34 16.891 -9.182 0.696 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.064 -8.386 0.145 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.942 -9.581 -0.425 1.00 0.00 C ATOM 0 H LEU A 34 15.995 -9.835 3.415 1.00 0.00 H new ATOM 0 HA LEU A 34 15.615 -11.613 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.016 -10.094 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.021 -10.997 0.769 1.00 0.00 H new ATOM 0 HG LEU A 34 16.348 -8.550 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.692 -7.508 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.707 -8.070 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.635 -9.009 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.598 -8.687 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.462 -10.233 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.085 -10.108 -0.006 1.00 0.00 H new ATOM 521 N SER A 35 17.112 -12.698 3.845 1.00 0.00 N ATOM 522 CA SER A 35 17.711 -13.867 4.478 1.00 0.00 C ATOM 523 C SER A 35 17.010 -15.145 4.031 1.00 0.00 C ATOM 524 O SER A 35 17.657 -16.147 3.726 1.00 0.00 O ATOM 525 CB SER A 35 17.640 -13.740 6.001 1.00 0.00 C ATOM 526 OG SER A 35 18.307 -14.818 6.635 1.00 0.00 O ATOM 0 H SER A 35 16.844 -11.958 4.494 1.00 0.00 H new ATOM 0 HA SER A 35 18.756 -13.920 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.090 -12.797 6.312 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.598 -13.716 6.319 1.00 0.00 H new ATOM 0 HG SER A 35 18.248 -14.712 7.608 1.00 0.00 H new ATOM 532 N GLU A 36 15.681 -15.103 3.994 1.00 0.00 N ATOM 533 CA GLU A 36 14.892 -16.259 3.584 1.00 0.00 C ATOM 534 C GLU A 36 14.608 -16.220 2.086 1.00 0.00 C ATOM 535 O GLU A 36 14.433 -17.258 1.448 1.00 0.00 O ATOM 536 CB GLU A 36 13.576 -16.308 4.363 1.00 0.00 C ATOM 537 CG GLU A 36 13.023 -17.712 4.537 1.00 0.00 C ATOM 538 CD GLU A 36 13.665 -18.452 5.695 1.00 0.00 C ATOM 539 OE1 GLU A 36 13.783 -17.858 6.787 1.00 0.00 O ATOM 540 OE2 GLU A 36 14.050 -19.625 5.507 1.00 0.00 O ATOM 0 H GLU A 36 15.129 -14.282 4.243 1.00 0.00 H new ATOM 0 HA GLU A 36 15.469 -17.157 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.729 -15.863 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.836 -15.696 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.946 -17.657 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.180 -18.277 3.618 1.00 0.00 H new ATOM 547 N VAL A 37 14.562 -15.013 1.529 1.00 0.00 N ATOM 548 CA VAL A 37 14.299 -14.838 0.106 1.00 0.00 C ATOM 549 C VAL A 37 15.484 -14.182 -0.595 1.00 0.00 C ATOM 550 O VAL A 37 15.553 -12.962 -0.742 1.00 0.00 O ATOM 551 CB VAL A 37 13.040 -13.982 -0.131 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.478 -14.234 -1.522 1.00 0.00 C ATOM 553 CG2 VAL A 37 11.993 -14.269 0.935 1.00 0.00 C ATOM 0 H VAL A 37 14.703 -14.143 2.042 1.00 0.00 H new ATOM 0 HA VAL A 37 14.138 -15.832 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 37 13.318 -12.930 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.589 -13.621 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.228 -13.975 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.214 -15.287 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.110 -13.656 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.717 -15.323 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.401 -14.034 1.918 1.00 0.00 H new ATOM 563 N PRO A 38 16.440 -15.011 -1.039 1.00 0.00 N ATOM 564 CA PRO A 38 17.641 -14.534 -1.733 1.00 0.00 C ATOM 565 C PRO A 38 17.329 -13.992 -3.123 1.00 0.00 C ATOM 566 O PRO A 38 18.063 -13.156 -3.653 1.00 0.00 O ATOM 567 CB PRO A 38 18.514 -15.788 -1.832 1.00 0.00 C ATOM 568 CG PRO A 38 17.552 -16.924 -1.786 1.00 0.00 C ATOM 569 CD PRO A 38 16.424 -16.477 -0.898 1.00 0.00 C ATOM 0 HA PRO A 38 18.116 -13.707 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.092 -15.796 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.227 -15.840 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.189 -17.168 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.027 -17.822 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.471 -16.901 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.581 -16.783 0.136 1.00 0.00 H new ATOM 577 N ASP A 39 16.237 -14.469 -3.709 1.00 0.00 N ATOM 578 CA ASP A 39 15.827 -14.029 -5.037 1.00 0.00 C ATOM 579 C ASP A 39 14.542 -13.210 -4.967 1.00 0.00 C ATOM 580 O ASP A 39 13.724 -13.239 -5.886 1.00 0.00 O ATOM 581 CB ASP A 39 15.627 -15.235 -5.958 1.00 0.00 C ATOM 582 CG ASP A 39 16.939 -15.790 -6.477 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.786 -16.185 -5.649 1.00 0.00 O ATOM 584 OD2 ASP A 39 17.117 -15.830 -7.712 1.00 0.00 O ATOM 0 H ASP A 39 15.619 -15.161 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 39 16.617 -13.397 -5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.093 -16.017 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.000 -14.945 -6.801 1.00 0.00 H new ATOM 589 N TYR A 40 14.372 -12.481 -3.870 1.00 0.00 N ATOM 590 CA TYR A 40 13.186 -11.655 -3.677 1.00 0.00 C ATOM 591 C TYR A 40 13.009 -10.675 -4.834 1.00 0.00 C ATOM 592 O TYR A 40 11.962 -10.642 -5.481 1.00 0.00 O ATOM 593 CB TYR A 40 13.280 -10.890 -2.356 1.00 0.00 C ATOM 594 CG TYR A 40 12.109 -9.965 -2.107 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.802 -10.404 -2.276 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.312 -8.651 -1.703 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.732 -9.562 -2.051 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.247 -7.802 -1.474 1.00 0.00 C ATOM 599 CZ TYR A 40 9.958 -8.262 -1.649 1.00 0.00 C ATOM 600 OH TYR A 40 8.893 -7.420 -1.423 1.00 0.00 O ATOM 0 H TYR A 40 15.041 -12.445 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 40 12.318 -12.314 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.348 -11.605 -1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.201 -10.307 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.620 -11.422 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.320 -8.287 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.722 -9.919 -2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.422 -6.784 -1.160 1.00 0.00 H new ATOM 0 HH TYR A 40 9.224 -6.541 -1.145 1.00 0.00 H new ATOM 610 N LEU A 41 14.042 -9.879 -5.087 1.00 0.00 N ATOM 611 CA LEU A 41 14.004 -8.898 -6.166 1.00 0.00 C ATOM 612 C LEU A 41 14.016 -9.585 -7.528 1.00 0.00 C ATOM 613 O LEU A 41 13.323 -9.163 -8.454 1.00 0.00 O ATOM 614 CB LEU A 41 15.193 -7.942 -6.055 1.00 0.00 C ATOM 615 CG LEU A 41 15.419 -7.309 -4.681 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.703 -6.496 -4.672 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.232 -6.440 -4.292 1.00 0.00 C ATOM 0 H LEU A 41 14.915 -9.894 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 41 13.078 -8.330 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.096 -8.483 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.060 -7.142 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 41 15.515 -8.108 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.847 -6.054 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.547 -7.146 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.638 -5.705 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.410 -5.998 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.104 -5.648 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.330 -7.051 -4.256 1.00 0.00 H new ATOM 629 N ASP A 42 14.806 -10.647 -7.642 1.00 0.00 N ATOM 630 CA ASP A 42 14.906 -11.395 -8.890 1.00 0.00 C ATOM 631 C ASP A 42 13.539 -11.530 -9.553 1.00 0.00 C ATOM 632 O ASP A 42 13.431 -11.539 -10.780 1.00 0.00 O ATOM 633 CB ASP A 42 15.502 -12.780 -8.633 1.00 0.00 C ATOM 634 CG ASP A 42 15.774 -13.541 -9.916 1.00 0.00 C ATOM 635 OD1 ASP A 42 15.048 -13.312 -10.905 1.00 0.00 O ATOM 636 OD2 ASP A 42 16.712 -14.365 -9.929 1.00 0.00 O ATOM 0 H ASP A 42 15.386 -11.009 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 42 15.563 -10.845 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.431 -12.674 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.818 -13.357 -8.010 1.00 0.00 H new ATOM 641 N HIS A 43 12.498 -11.636 -8.734 1.00 0.00 N ATOM 642 CA HIS A 43 11.137 -11.772 -9.242 1.00 0.00 C ATOM 643 C HIS A 43 10.354 -10.476 -9.051 1.00 0.00 C ATOM 644 O HIS A 43 9.486 -10.141 -9.857 1.00 0.00 O ATOM 645 CB HIS A 43 10.419 -12.923 -8.536 1.00 0.00 C ATOM 646 CG HIS A 43 11.012 -14.268 -8.829 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.347 -15.244 -9.539 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.216 -14.794 -8.503 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.115 -16.314 -9.636 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.256 -16.067 -9.017 1.00 0.00 N ATOM 0 H HIS A 43 12.570 -11.630 -7.717 1.00 0.00 H new ATOM 0 HA HIS A 43 11.194 -11.989 -10.309 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.444 -12.751 -7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.371 -12.924 -8.835 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.999 -14.304 -7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.855 -17.235 -10.136 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.039 -16.716 -8.934 1.00 0.00 H new ATOM 659 N ILE A 44 10.668 -9.753 -7.980 1.00 0.00 N ATOM 660 CA ILE A 44 9.993 -8.495 -7.685 1.00 0.00 C ATOM 661 C ILE A 44 10.841 -7.303 -8.117 1.00 0.00 C ATOM 662 O ILE A 44 11.936 -7.085 -7.596 1.00 0.00 O ATOM 663 CB ILE A 44 9.673 -8.367 -6.185 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.768 -9.514 -5.734 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.020 -7.023 -5.896 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.521 -9.668 -6.578 1.00 0.00 C ATOM 0 H ILE A 44 11.384 -10.017 -7.304 1.00 0.00 H new ATOM 0 HA ILE A 44 9.060 -8.497 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 44 10.605 -8.424 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.334 -10.445 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.477 -9.350 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.800 -6.947 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.698 -6.220 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.094 -6.938 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.927 -10.500 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.933 -8.751 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.804 -9.864 -7.612 1.00 0.00 H new ATOM 678 N LYS A 45 10.328 -6.534 -9.071 1.00 0.00 N ATOM 679 CA LYS A 45 11.035 -5.361 -9.572 1.00 0.00 C ATOM 680 C LYS A 45 10.952 -4.209 -8.575 1.00 0.00 C ATOM 681 O LYS A 45 11.955 -3.562 -8.273 1.00 0.00 O ATOM 682 CB LYS A 45 10.455 -4.927 -10.920 1.00 0.00 C ATOM 683 CG LYS A 45 10.900 -5.797 -12.082 1.00 0.00 C ATOM 684 CD LYS A 45 12.273 -5.388 -12.590 1.00 0.00 C ATOM 685 CE LYS A 45 12.559 -5.981 -13.961 1.00 0.00 C ATOM 686 NZ LYS A 45 11.792 -5.290 -15.035 1.00 0.00 N ATOM 0 H LYS A 45 9.424 -6.702 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 45 12.083 -5.628 -9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.367 -4.944 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.747 -3.895 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.923 -6.841 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.174 -5.723 -12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.334 -4.301 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.036 -5.716 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.626 -5.909 -14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.306 -7.041 -13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.159 -5.578 -15.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.787 -5.548 -14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.894 -4.261 -14.927 1.00 0.00 H new ATOM 700 N LYS A 46 9.750 -3.958 -8.067 1.00 0.00 N ATOM 701 CA LYS A 46 9.535 -2.886 -7.103 1.00 0.00 C ATOM 702 C LYS A 46 8.891 -3.422 -5.828 1.00 0.00 C ATOM 703 O LYS A 46 7.669 -3.426 -5.675 1.00 0.00 O ATOM 704 CB LYS A 46 8.653 -1.793 -7.712 1.00 0.00 C ATOM 705 CG LYS A 46 8.348 -0.654 -6.754 1.00 0.00 C ATOM 706 CD LYS A 46 7.699 0.518 -7.472 1.00 0.00 C ATOM 707 CE LYS A 46 6.935 1.409 -6.506 1.00 0.00 C ATOM 708 NZ LYS A 46 7.849 2.166 -5.607 1.00 0.00 N ATOM 0 H LYS A 46 8.909 -4.483 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 46 10.506 -2.461 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.146 -1.390 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.715 -2.238 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.687 -1.009 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.269 -0.324 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.465 1.104 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.020 0.145 -8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.318 2.109 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.259 0.799 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.289 2.761 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.421 1.498 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.477 2.768 -6.177 1.00 0.00 H new ATOM 722 N PRO A 47 9.730 -3.884 -4.890 1.00 0.00 N ATOM 723 CA PRO A 47 9.264 -4.428 -3.611 1.00 0.00 C ATOM 724 C PRO A 47 8.682 -3.353 -2.699 1.00 0.00 C ATOM 725 O PRO A 47 9.393 -2.452 -2.255 1.00 0.00 O ATOM 726 CB PRO A 47 10.534 -5.021 -2.994 1.00 0.00 C ATOM 727 CG PRO A 47 11.649 -4.251 -3.611 1.00 0.00 C ATOM 728 CD PRO A 47 11.197 -3.911 -5.004 1.00 0.00 C ATOM 0 HA PRO A 47 8.460 -5.151 -3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.533 -4.916 -1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.620 -6.086 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.863 -3.348 -3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.566 -4.840 -3.631 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.592 -2.949 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.530 -4.655 -5.727 1.00 0.00 H new ATOM 736 N MET A 48 7.386 -3.455 -2.426 1.00 0.00 N ATOM 737 CA MET A 48 6.709 -2.489 -1.566 1.00 0.00 C ATOM 738 C MET A 48 6.259 -3.145 -0.265 1.00 0.00 C ATOM 739 O MET A 48 6.196 -4.370 -0.164 1.00 0.00 O ATOM 740 CB MET A 48 5.504 -1.886 -2.290 1.00 0.00 C ATOM 741 CG MET A 48 4.892 -0.699 -1.566 1.00 0.00 C ATOM 742 SD MET A 48 6.109 0.569 -1.158 1.00 0.00 S ATOM 743 CE MET A 48 6.509 1.192 -2.789 1.00 0.00 C ATOM 0 H MET A 48 6.783 -4.195 -2.786 1.00 0.00 H new ATOM 0 HA MET A 48 7.415 -1.693 -1.327 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.809 -1.574 -3.289 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.743 -2.656 -2.416 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.112 -0.261 -2.189 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.412 -1.045 -0.650 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.821 2.234 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.319 0.600 -3.216 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.631 1.122 -3.431 1.00 0.00 H new ATOM 753 N ASP A 49 5.949 -2.320 0.730 1.00 0.00 N ATOM 754 CA ASP A 49 5.503 -2.819 2.027 1.00 0.00 C ATOM 755 C ASP A 49 4.784 -1.727 2.812 1.00 0.00 C ATOM 756 O ASP A 49 4.759 -0.567 2.400 1.00 0.00 O ATOM 757 CB ASP A 49 6.694 -3.345 2.831 1.00 0.00 C ATOM 758 CG ASP A 49 7.584 -4.261 2.014 1.00 0.00 C ATOM 759 OD1 ASP A 49 7.291 -5.474 1.957 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.574 -3.766 1.436 1.00 0.00 O ATOM 0 H ASP A 49 5.998 -1.303 0.664 1.00 0.00 H new ATOM 0 HA ASP A 49 4.802 -3.636 1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.282 -2.503 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.329 -3.883 3.706 1.00 0.00 H new ATOM 765 N PHE A 50 4.201 -2.106 3.944 1.00 0.00 N ATOM 766 CA PHE A 50 3.480 -1.159 4.787 1.00 0.00 C ATOM 767 C PHE A 50 4.434 -0.132 5.391 1.00 0.00 C ATOM 768 O PHE A 50 4.080 1.034 5.565 1.00 0.00 O ATOM 769 CB PHE A 50 2.737 -1.899 5.901 1.00 0.00 C ATOM 770 CG PHE A 50 1.372 -2.377 5.497 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.495 -1.532 4.834 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.966 -3.672 5.777 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.761 -1.969 4.460 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.290 -4.115 5.405 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.154 -3.262 4.747 1.00 0.00 C ATOM 0 H PHE A 50 4.213 -3.062 4.299 1.00 0.00 H new ATOM 0 HA PHE A 50 2.756 -0.634 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.333 -2.754 6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.642 -1.239 6.763 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.797 -0.520 4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.638 -4.343 6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.435 -1.301 3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.595 -5.127 5.629 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.136 -3.605 4.457 1.00 0.00 H new ATOM 785 N PHE A 51 5.646 -0.575 5.708 1.00 0.00 N ATOM 786 CA PHE A 51 6.652 0.304 6.294 1.00 0.00 C ATOM 787 C PHE A 51 7.403 1.070 5.209 1.00 0.00 C ATOM 788 O PHE A 51 7.657 2.268 5.342 1.00 0.00 O ATOM 789 CB PHE A 51 7.639 -0.506 7.138 1.00 0.00 C ATOM 790 CG PHE A 51 9.002 0.118 7.230 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.291 1.036 8.226 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.993 -0.214 6.321 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.544 1.612 8.314 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.248 0.358 6.404 1.00 0.00 C ATOM 795 CZ PHE A 51 11.524 1.273 7.401 1.00 0.00 C ATOM 0 H PHE A 51 5.956 -1.537 5.569 1.00 0.00 H new ATOM 0 HA PHE A 51 6.141 1.023 6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.234 -0.624 8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.734 -1.505 6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.528 1.305 8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.782 -0.928 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.757 2.326 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.012 0.090 5.690 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.504 1.723 7.467 1.00 0.00 H new ATOM 805 N THR A 52 7.757 0.371 4.136 1.00 0.00 N ATOM 806 CA THR A 52 8.480 0.983 3.028 1.00 0.00 C ATOM 807 C THR A 52 7.691 2.142 2.431 1.00 0.00 C ATOM 808 O THR A 52 8.209 3.250 2.289 1.00 0.00 O ATOM 809 CB THR A 52 8.783 -0.042 1.921 1.00 0.00 C ATOM 810 OG1 THR A 52 9.747 -0.996 2.385 1.00 0.00 O ATOM 811 CG2 THR A 52 9.309 0.650 0.672 1.00 0.00 C ATOM 0 H THR A 52 7.555 -0.621 4.010 1.00 0.00 H new ATOM 0 HA THR A 52 9.420 1.358 3.432 1.00 0.00 H new ATOM 0 HB THR A 52 7.855 -0.556 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.461 -1.899 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.516 -0.095 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.562 1.353 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.226 1.188 0.913 1.00 0.00 H new ATOM 819 N MET A 53 6.435 1.880 2.083 1.00 0.00 N ATOM 820 CA MET A 53 5.574 2.904 1.501 1.00 0.00 C ATOM 821 C MET A 53 5.527 4.143 2.390 1.00 0.00 C ATOM 822 O MET A 53 5.628 5.271 1.906 1.00 0.00 O ATOM 823 CB MET A 53 4.161 2.354 1.295 1.00 0.00 C ATOM 824 CG MET A 53 3.424 2.073 2.594 1.00 0.00 C ATOM 825 SD MET A 53 1.767 1.414 2.323 1.00 0.00 S ATOM 826 CE MET A 53 1.090 2.647 1.214 1.00 0.00 C ATOM 0 H MET A 53 5.991 0.968 2.194 1.00 0.00 H new ATOM 0 HA MET A 53 5.990 3.188 0.534 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.584 3.068 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.219 1.434 0.713 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.000 1.364 3.188 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.355 2.993 3.174 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.002 2.582 1.218 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.395 3.640 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.460 2.470 0.204 1.00 0.00 H new ATOM 836 N LYS A 54 5.371 3.926 3.692 1.00 0.00 N ATOM 837 CA LYS A 54 5.311 5.025 4.649 1.00 0.00 C ATOM 838 C LYS A 54 6.528 5.935 4.510 1.00 0.00 C ATOM 839 O LYS A 54 6.391 7.149 4.361 1.00 0.00 O ATOM 840 CB LYS A 54 5.230 4.481 6.077 1.00 0.00 C ATOM 841 CG LYS A 54 5.112 5.563 7.134 1.00 0.00 C ATOM 842 CD LYS A 54 3.664 5.954 7.374 1.00 0.00 C ATOM 843 CE LYS A 54 3.559 7.213 8.221 1.00 0.00 C ATOM 844 NZ LYS A 54 3.563 6.904 9.678 1.00 0.00 N ATOM 0 H LYS A 54 5.284 2.999 4.109 1.00 0.00 H new ATOM 0 HA LYS A 54 4.416 5.609 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.371 3.814 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.118 3.882 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.554 5.212 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.680 6.440 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.166 6.115 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.143 5.136 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.391 7.877 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.644 7.747 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.490 7.788 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.754 6.291 9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.448 6.417 9.927 1.00 0.00 H new ATOM 858 N GLN A 55 7.716 5.340 4.556 1.00 0.00 N ATOM 859 CA GLN A 55 8.955 6.098 4.435 1.00 0.00 C ATOM 860 C GLN A 55 8.882 7.076 3.266 1.00 0.00 C ATOM 861 O GLN A 55 9.156 8.265 3.423 1.00 0.00 O ATOM 862 CB GLN A 55 10.141 5.150 4.248 1.00 0.00 C ATOM 863 CG GLN A 55 10.305 4.151 5.382 1.00 0.00 C ATOM 864 CD GLN A 55 10.908 4.773 6.625 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.069 5.183 6.628 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.121 4.848 7.692 1.00 0.00 N ATOM 0 H GLN A 55 7.846 4.335 4.676 1.00 0.00 H new ATOM 0 HA GLN A 55 9.095 6.667 5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.017 4.607 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.055 5.738 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.333 3.725 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.938 3.329 5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.165 4.496 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.473 5.258 8.557 1.00 0.00 H new ATOM 875 N ASN A 56 8.511 6.566 2.096 1.00 0.00 N ATOM 876 CA ASN A 56 8.403 7.395 0.901 1.00 0.00 C ATOM 877 C ASN A 56 7.332 8.468 1.079 1.00 0.00 C ATOM 878 O ASN A 56 7.467 9.585 0.576 1.00 0.00 O ATOM 879 CB ASN A 56 8.077 6.530 -0.318 1.00 0.00 C ATOM 880 CG ASN A 56 9.186 5.546 -0.641 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.357 5.799 -0.358 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.820 4.419 -1.238 1.00 0.00 N ATOM 0 H ASN A 56 8.280 5.583 1.950 1.00 0.00 H new ATOM 0 HA ASN A 56 9.363 7.887 0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.152 5.984 -0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.903 7.173 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.522 3.720 -1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.837 4.252 -1.454 1.00 0.00 H new ATOM 889 N LEU A 57 6.269 8.122 1.795 1.00 0.00 N ATOM 890 CA LEU A 57 5.174 9.055 2.040 1.00 0.00 C ATOM 891 C LEU A 57 5.645 10.238 2.879 1.00 0.00 C ATOM 892 O LEU A 57 5.294 11.385 2.603 1.00 0.00 O ATOM 893 CB LEU A 57 4.019 8.342 2.745 1.00 0.00 C ATOM 894 CG LEU A 57 3.149 9.210 3.655 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.730 8.667 3.715 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.751 9.292 5.050 1.00 0.00 C ATOM 0 H LEU A 57 6.141 7.202 2.217 1.00 0.00 H new ATOM 0 HA LEU A 57 4.827 9.431 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.379 7.892 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.431 7.527 3.340 1.00 0.00 H new ATOM 0 HG LEU A 57 3.113 10.216 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.126 9.298 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.299 8.663 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.746 7.650 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.118 9.914 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.819 8.291 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.747 9.730 4.991 1.00 0.00 H new ATOM 908 N GLU A 58 6.441 9.952 3.903 1.00 0.00 N ATOM 909 CA GLU A 58 6.961 10.993 4.782 1.00 0.00 C ATOM 910 C GLU A 58 8.117 11.737 4.120 1.00 0.00 C ATOM 911 O GLU A 58 8.541 12.791 4.591 1.00 0.00 O ATOM 912 CB GLU A 58 7.423 10.389 6.109 1.00 0.00 C ATOM 913 CG GLU A 58 6.280 10.009 7.036 1.00 0.00 C ATOM 914 CD GLU A 58 6.700 9.960 8.492 1.00 0.00 C ATOM 915 OE1 GLU A 58 7.904 9.756 8.755 1.00 0.00 O ATOM 916 OE2 GLU A 58 5.826 10.126 9.367 1.00 0.00 O ATOM 0 H GLU A 58 6.741 9.008 4.145 1.00 0.00 H new ATOM 0 HA GLU A 58 6.157 11.703 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.024 9.503 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.070 11.103 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.469 10.728 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.887 9.035 6.742 1.00 0.00 H new ATOM 923 N ALA A 59 8.621 11.179 3.024 1.00 0.00 N ATOM 924 CA ALA A 59 9.727 11.788 2.295 1.00 0.00 C ATOM 925 C ALA A 59 9.216 12.689 1.175 1.00 0.00 C ATOM 926 O ALA A 59 9.990 13.158 0.341 1.00 0.00 O ATOM 927 CB ALA A 59 10.646 10.714 1.733 1.00 0.00 C ATOM 0 H ALA A 59 8.281 10.306 2.621 1.00 0.00 H new ATOM 0 HA ALA A 59 10.293 12.405 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.467 11.184 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.047 10.114 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.084 10.073 1.054 1.00 0.00 H new ATOM 933 N TYR A 60 7.909 12.924 1.162 1.00 0.00 N ATOM 934 CA TYR A 60 7.294 13.766 0.142 1.00 0.00 C ATOM 935 C TYR A 60 7.488 13.167 -1.247 1.00 0.00 C ATOM 936 O TYR A 60 7.817 13.873 -2.200 1.00 0.00 O ATOM 937 CB TYR A 60 7.887 15.175 0.189 1.00 0.00 C ATOM 938 CG TYR A 60 7.514 15.948 1.434 1.00 0.00 C ATOM 939 CD1 TYR A 60 8.292 15.870 2.582 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.384 16.756 1.462 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.956 16.574 3.722 1.00 0.00 C ATOM 942 CE2 TYR A 60 6.041 17.464 2.597 1.00 0.00 C ATOM 943 CZ TYR A 60 6.830 17.370 3.725 1.00 0.00 C ATOM 944 OH TYR A 60 6.490 18.073 4.859 1.00 0.00 O ATOM 0 H TYR A 60 7.255 12.544 1.846 1.00 0.00 H new ATOM 0 HA TYR A 60 6.225 13.822 0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.973 15.105 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.552 15.730 -0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.175 15.248 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.763 16.832 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.572 16.501 4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.160 18.088 2.602 1.00 0.00 H new ATOM 0 HH TYR A 60 5.671 18.585 4.693 1.00 0.00 H new ATOM 954 N ARG A 61 7.278 11.858 -1.355 1.00 0.00 N ATOM 955 CA ARG A 61 7.429 11.162 -2.626 1.00 0.00 C ATOM 956 C ARG A 61 6.073 10.934 -3.286 1.00 0.00 C ATOM 957 O ARG A 61 5.978 10.798 -4.506 1.00 0.00 O ATOM 958 CB ARG A 61 8.138 9.823 -2.418 1.00 0.00 C ATOM 959 CG ARG A 61 9.618 9.960 -2.097 1.00 0.00 C ATOM 960 CD ARG A 61 10.409 8.760 -2.593 1.00 0.00 C ATOM 961 NE ARG A 61 11.811 9.091 -2.834 1.00 0.00 N ATOM 962 CZ ARG A 61 12.252 9.647 -3.956 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.405 9.934 -4.935 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.543 9.919 -4.101 1.00 0.00 N ATOM 0 H ARG A 61 7.003 11.259 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 61 8.033 11.787 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.648 9.284 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.025 9.218 -3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.008 10.869 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.750 10.064 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.347 7.956 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.961 8.386 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 61 12.488 8.884 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.412 9.728 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.747 10.361 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.198 9.701 -3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.880 10.346 -4.964 1.00 0.00 H new ATOM 978 N TYR A 62 5.024 10.894 -2.472 1.00 0.00 N ATOM 979 CA TYR A 62 3.672 10.679 -2.974 1.00 0.00 C ATOM 980 C TYR A 62 2.871 11.978 -2.954 1.00 0.00 C ATOM 981 O TYR A 62 2.387 12.406 -1.906 1.00 0.00 O ATOM 982 CB TYR A 62 2.958 9.614 -2.142 1.00 0.00 C ATOM 983 CG TYR A 62 3.715 8.307 -2.054 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.402 7.804 -3.153 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.742 7.576 -0.873 1.00 0.00 C ATOM 986 CE1 TYR A 62 5.093 6.611 -3.076 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.432 6.382 -0.788 1.00 0.00 C ATOM 988 CZ TYR A 62 5.106 5.904 -1.893 1.00 0.00 C ATOM 989 OH TYR A 62 5.795 4.715 -1.813 1.00 0.00 O ATOM 0 H TYR A 62 5.084 11.008 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 62 3.746 10.334 -4.005 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.796 9.999 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.975 9.427 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.395 8.355 -4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.215 7.947 -0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.621 6.234 -3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.444 5.826 0.138 1.00 0.00 H new ATOM 0 HH TYR A 62 6.214 4.521 -2.677 1.00 0.00 H new ATOM 999 N LEU A 63 2.734 12.599 -4.121 1.00 0.00 N ATOM 1000 CA LEU A 63 1.991 13.850 -4.239 1.00 0.00 C ATOM 1001 C LEU A 63 0.584 13.597 -4.768 1.00 0.00 C ATOM 1002 O LEU A 63 -0.346 14.346 -4.469 1.00 0.00 O ATOM 1003 CB LEU A 63 2.729 14.818 -5.164 1.00 0.00 C ATOM 1004 CG LEU A 63 4.172 15.147 -4.779 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.984 15.513 -6.011 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.208 16.276 -3.759 1.00 0.00 C ATOM 0 H LEU A 63 3.127 12.257 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 63 1.913 14.294 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.729 14.399 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.164 15.749 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 63 4.617 14.261 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.008 15.744 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.987 14.674 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.540 16.384 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.243 16.497 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.744 17.166 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.663 15.975 -2.864 1.00 0.00 H new ATOM 1018 N ASN A 64 0.432 12.536 -5.554 1.00 0.00 N ATOM 1019 CA ASN A 64 -0.863 12.183 -6.122 1.00 0.00 C ATOM 1020 C ASN A 64 -1.356 10.851 -5.568 1.00 0.00 C ATOM 1021 O ASN A 64 -0.561 9.975 -5.227 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.770 12.110 -7.648 1.00 0.00 C ATOM 1023 CG ASN A 64 0.433 11.315 -8.117 1.00 0.00 C ATOM 1024 OD1 ASN A 64 0.327 10.125 -8.414 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.585 11.971 -8.186 1.00 0.00 N ATOM 0 H ASN A 64 1.191 11.905 -5.812 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.577 12.958 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.679 11.656 -8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.716 13.120 -8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.429 11.489 -8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.626 12.957 -7.930 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.675 10.704 -5.480 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.275 9.479 -4.966 1.00 0.00 C ATOM 1034 C PHE A 65 -2.806 8.267 -5.765 1.00 0.00 C ATOM 1035 O PHE A 65 -2.520 7.211 -5.201 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.802 9.575 -5.013 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.493 8.571 -4.136 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.420 8.669 -2.756 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.216 7.528 -4.692 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.054 7.745 -1.948 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.854 6.602 -3.889 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.773 6.711 -2.514 1.00 0.00 C ATOM 0 H PHE A 65 -3.348 11.418 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.957 9.355 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.104 10.578 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.135 9.437 -6.042 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.861 9.477 -2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.282 7.438 -5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.987 7.831 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.415 5.794 -4.335 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.271 5.989 -1.883 1.00 0.00 H new ATOM 1052 N ASP A 66 -2.732 8.426 -7.082 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.298 7.347 -7.960 1.00 0.00 C ATOM 1054 C ASP A 66 -0.971 6.761 -7.487 1.00 0.00 C ATOM 1055 O ASP A 66 -0.741 5.556 -7.590 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.163 7.852 -9.397 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.259 8.829 -9.773 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.346 8.764 -9.162 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -3.031 9.659 -10.678 1.00 0.00 O ATOM 0 H ASP A 66 -2.967 9.293 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.053 6.562 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.193 8.334 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.186 7.004 -10.081 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.102 7.622 -6.968 1.00 0.00 N ATOM 1065 CA ASP A 67 1.202 7.191 -6.478 1.00 0.00 C ATOM 1066 C ASP A 67 1.056 6.325 -5.231 1.00 0.00 C ATOM 1067 O ASP A 67 1.454 5.160 -5.221 1.00 0.00 O ATOM 1068 CB ASP A 67 2.082 8.404 -6.172 1.00 0.00 C ATOM 1069 CG ASP A 67 2.762 8.953 -7.411 1.00 0.00 C ATOM 1070 OD1 ASP A 67 2.729 8.273 -8.456 1.00 0.00 O ATOM 1071 OD2 ASP A 67 3.328 10.064 -7.333 1.00 0.00 O ATOM 0 H ASP A 67 -0.277 8.623 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 67 1.676 6.595 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.473 9.186 -5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.839 8.125 -5.439 1.00 0.00 H new ATOM 1076 N PHE A 68 0.481 6.902 -4.182 1.00 0.00 N ATOM 1077 CA PHE A 68 0.282 6.183 -2.928 1.00 0.00 C ATOM 1078 C PHE A 68 -0.470 4.877 -3.162 1.00 0.00 C ATOM 1079 O PHE A 68 -0.197 3.867 -2.515 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.484 7.055 -1.931 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.772 6.365 -0.628 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -1.803 5.444 -0.530 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -0.013 6.638 0.498 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -2.071 4.807 0.667 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -0.276 6.003 1.697 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.306 5.088 1.782 1.00 0.00 C ATOM 0 H PHE A 68 0.144 7.865 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 68 1.263 5.947 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.092 7.959 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.425 7.368 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.404 5.221 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.793 7.355 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.877 4.091 0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.324 6.223 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.513 4.593 2.719 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.420 4.907 -4.092 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.213 3.725 -4.411 1.00 0.00 C ATOM 1098 C GLU A 69 -1.345 2.643 -5.048 1.00 0.00 C ATOM 1099 O GLU A 69 -1.409 1.476 -4.663 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.362 4.094 -5.352 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.085 2.889 -5.930 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.502 3.213 -6.363 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -5.670 4.089 -7.236 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.443 2.589 -5.828 1.00 0.00 O ATOM 0 H GLU A 69 -1.659 5.736 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.626 3.334 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.079 4.713 -4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.971 4.699 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.525 2.509 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.109 2.093 -5.186 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.536 3.041 -6.025 1.00 0.00 N ATOM 1112 CA GLU A 70 0.342 2.105 -6.717 1.00 0.00 C ATOM 1113 C GLU A 70 1.134 1.264 -5.719 1.00 0.00 C ATOM 1114 O GLU A 70 1.172 0.037 -5.817 1.00 0.00 O ATOM 1115 CB GLU A 70 1.303 2.859 -7.640 1.00 0.00 C ATOM 1116 CG GLU A 70 1.894 1.994 -8.740 1.00 0.00 C ATOM 1117 CD GLU A 70 0.831 1.326 -9.591 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -0.313 1.823 -9.608 1.00 0.00 O ATOM 1119 OE2 GLU A 70 1.145 0.305 -10.238 1.00 0.00 O ATOM 0 H GLU A 70 -0.471 4.004 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.279 1.439 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.775 3.698 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.114 3.277 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.531 2.608 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.530 1.230 -8.294 1.00 0.00 H new ATOM 1126 N ASP A 71 1.766 1.932 -4.761 1.00 0.00 N ATOM 1127 CA ASP A 71 2.557 1.247 -3.744 1.00 0.00 C ATOM 1128 C ASP A 71 1.758 0.114 -3.107 1.00 0.00 C ATOM 1129 O ASP A 71 2.114 -1.058 -3.235 1.00 0.00 O ATOM 1130 CB ASP A 71 3.011 2.236 -2.670 1.00 0.00 C ATOM 1131 CG ASP A 71 3.431 3.571 -3.251 1.00 0.00 C ATOM 1132 OD1 ASP A 71 4.201 3.574 -4.234 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.991 4.614 -2.723 1.00 0.00 O ATOM 0 H ASP A 71 1.746 2.947 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 71 3.436 0.820 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.200 2.392 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.845 1.807 -2.114 1.00 0.00 H new ATOM 1138 N PHE A 72 0.679 0.472 -2.419 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.169 -0.515 -1.760 1.00 0.00 C ATOM 1140 C PHE A 72 -0.451 -1.695 -2.686 1.00 0.00 C ATOM 1141 O PHE A 72 -0.300 -2.852 -2.297 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.485 0.128 -1.317 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.570 -0.870 -1.023 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -2.715 -1.399 0.250 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -3.441 -1.279 -2.018 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -3.712 -2.316 0.524 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -4.440 -2.196 -1.750 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.575 -2.716 -0.477 1.00 0.00 C ATOM 0 H PHE A 72 0.371 1.438 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 72 0.360 -0.885 -0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.305 0.730 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.829 0.808 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.042 -1.091 1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.339 -0.877 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.816 -2.719 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.114 -2.506 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.354 -3.434 -0.265 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.863 -1.391 -3.913 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.167 -2.426 -4.894 1.00 0.00 C ATOM 1160 C ASN A 73 -0.045 -3.458 -4.964 1.00 0.00 C ATOM 1161 O ASN A 73 -0.290 -4.663 -4.905 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.387 -1.801 -6.273 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.831 -1.395 -6.501 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.753 -2.017 -5.972 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -3.033 -0.348 -7.290 1.00 0.00 N ATOM 0 H ASN A 73 -0.994 -0.438 -4.251 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.081 -2.931 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.746 -0.926 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.086 -2.512 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.983 -0.028 -7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.239 0.137 -7.707 1.00 0.00 H new ATOM 1172 N LEU A 74 1.187 -2.975 -5.089 1.00 0.00 N ATOM 1173 CA LEU A 74 2.348 -3.855 -5.166 1.00 0.00 C ATOM 1174 C LEU A 74 2.383 -4.816 -3.982 1.00 0.00 C ATOM 1175 O LEU A 74 2.498 -6.029 -4.158 1.00 0.00 O ATOM 1176 CB LEU A 74 3.636 -3.030 -5.206 1.00 0.00 C ATOM 1177 CG LEU A 74 3.948 -2.337 -6.533 1.00 0.00 C ATOM 1178 CD1 LEU A 74 4.990 -1.248 -6.334 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.422 -3.350 -7.565 1.00 0.00 C ATOM 0 H LEU A 74 1.407 -1.980 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 74 2.269 -4.440 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.582 -2.270 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.471 -3.684 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 74 3.034 -1.873 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.199 -0.766 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.612 -0.508 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.906 -1.689 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.639 -2.839 -8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.324 -3.843 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.643 -4.094 -7.729 1.00 0.00 H new ATOM 1191 N ILE A 75 2.282 -4.265 -2.777 1.00 0.00 N ATOM 1192 CA ILE A 75 2.299 -5.074 -1.564 1.00 0.00 C ATOM 1193 C ILE A 75 1.497 -6.359 -1.749 1.00 0.00 C ATOM 1194 O ILE A 75 1.879 -7.418 -1.251 1.00 0.00 O ATOM 1195 CB ILE A 75 1.732 -4.298 -0.361 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.539 -3.018 -0.126 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.739 -5.171 0.885 1.00 0.00 C ATOM 1198 CD1 ILE A 75 1.969 -2.136 0.961 1.00 0.00 C ATOM 0 H ILE A 75 2.188 -3.262 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 75 3.341 -5.324 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 75 0.701 -4.021 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.563 -3.286 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.585 -2.451 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.335 -4.608 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.126 -6.056 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.761 -5.476 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.591 -1.248 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.955 -1.837 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.949 -2.686 1.902 1.00 0.00 H new ATOM 1210 N VAL A 76 0.384 -6.256 -2.469 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.471 -7.410 -2.723 1.00 0.00 C ATOM 1212 C VAL A 76 -0.019 -8.166 -3.967 1.00 0.00 C ATOM 1213 O VAL A 76 0.120 -9.389 -3.948 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.942 -6.991 -2.896 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.818 -8.208 -3.154 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.425 -6.227 -1.672 1.00 0.00 C ATOM 0 H VAL A 76 0.054 -5.386 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.387 -8.063 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.014 -6.331 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.854 -7.892 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.485 -8.710 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.743 -8.895 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.467 -5.938 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.339 -6.861 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.816 -5.333 -1.537 1.00 0.00 H new ATOM 1226 N SER A 77 0.208 -7.429 -5.050 1.00 0.00 N ATOM 1227 CA SER A 77 0.641 -8.029 -6.307 1.00 0.00 C ATOM 1228 C SER A 77 1.931 -8.822 -6.114 1.00 0.00 C ATOM 1229 O SER A 77 1.940 -10.047 -6.215 1.00 0.00 O ATOM 1230 CB SER A 77 0.848 -6.947 -7.368 1.00 0.00 C ATOM 1231 OG SER A 77 -0.394 -6.482 -7.869 1.00 0.00 O ATOM 0 H SER A 77 0.099 -6.415 -5.082 1.00 0.00 H new ATOM 0 HA SER A 77 -0.139 -8.713 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.406 -6.114 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.448 -7.345 -8.186 1.00 0.00 H new ATOM 0 HG SER A 77 -0.236 -5.790 -8.544 1.00 0.00 H new ATOM 1237 N ASN A 78 3.019 -8.110 -5.836 1.00 0.00 N ATOM 1238 CA ASN A 78 4.315 -8.746 -5.630 1.00 0.00 C ATOM 1239 C ASN A 78 4.154 -10.102 -4.951 1.00 0.00 C ATOM 1240 O ASN A 78 4.888 -11.046 -5.245 1.00 0.00 O ATOM 1241 CB ASN A 78 5.219 -7.844 -4.787 1.00 0.00 C ATOM 1242 CG ASN A 78 5.842 -6.726 -5.600 1.00 0.00 C ATOM 1243 OD1 ASN A 78 6.092 -6.878 -6.797 1.00 0.00 O ATOM 1244 ND2 ASN A 78 6.098 -5.595 -4.954 1.00 0.00 N ATOM 0 H ASN A 78 3.029 -7.094 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 78 4.775 -8.902 -6.606 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.639 -7.415 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.009 -8.445 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.518 -4.809 -5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.875 -5.512 -3.962 1.00 0.00 H new ATOM 1251 N CYS A 79 3.190 -10.191 -4.041 1.00 0.00 N ATOM 1252 CA CYS A 79 2.933 -11.432 -3.320 1.00 0.00 C ATOM 1253 C CYS A 79 2.170 -12.422 -4.195 1.00 0.00 C ATOM 1254 O CYS A 79 2.532 -13.595 -4.284 1.00 0.00 O ATOM 1255 CB CYS A 79 2.141 -11.149 -2.042 1.00 0.00 C ATOM 1256 SG CYS A 79 1.615 -12.633 -1.154 1.00 0.00 S ATOM 0 H CYS A 79 2.574 -9.419 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 79 3.893 -11.874 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.752 -10.538 -1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.260 -10.560 -2.297 1.00 0.00 H new ATOM 0 HG CYS A 79 0.768 -12.305 -0.224 1.00 0.00 H new ATOM 1262 N LEU A 80 1.112 -11.941 -4.838 1.00 0.00 N ATOM 1263 CA LEU A 80 0.296 -12.784 -5.706 1.00 0.00 C ATOM 1264 C LEU A 80 1.065 -13.177 -6.964 1.00 0.00 C ATOM 1265 O LEU A 80 0.630 -14.038 -7.728 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.994 -12.058 -6.090 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.889 -11.622 -4.929 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -3.014 -10.728 -5.429 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.451 -12.837 -4.204 1.00 0.00 C ATOM 0 H LEU A 80 0.799 -10.972 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 80 0.045 -13.692 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.731 -11.174 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.573 -12.709 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.285 -11.051 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.641 -10.428 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.591 -9.841 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.617 -11.274 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.085 -12.508 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.040 -13.435 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.631 -13.438 -3.812 1.00 0.00 H new ATOM 1281 N LYS A 81 2.213 -12.539 -7.172 1.00 0.00 N ATOM 1282 CA LYS A 81 3.046 -12.823 -8.335 1.00 0.00 C ATOM 1283 C LYS A 81 4.260 -13.659 -7.943 1.00 0.00 C ATOM 1284 O LYS A 81 4.773 -14.440 -8.745 1.00 0.00 O ATOM 1285 CB LYS A 81 3.502 -11.518 -8.992 1.00 0.00 C ATOM 1286 CG LYS A 81 4.819 -10.992 -8.449 1.00 0.00 C ATOM 1287 CD LYS A 81 5.295 -9.773 -9.222 1.00 0.00 C ATOM 1288 CE LYS A 81 5.997 -10.171 -10.511 1.00 0.00 C ATOM 1289 NZ LYS A 81 6.317 -8.987 -11.356 1.00 0.00 N ATOM 0 H LYS A 81 2.587 -11.822 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 81 2.450 -13.392 -9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.599 -11.676 -10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.731 -10.761 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.702 -10.734 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.575 -11.776 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.444 -9.132 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.975 -9.190 -8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.916 -10.707 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.364 -10.858 -11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.795 -9.300 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.438 -8.490 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.942 -8.344 -10.830 1.00 0.00 H new ATOM 1303 N TYR A 82 4.713 -13.491 -6.706 1.00 0.00 N ATOM 1304 CA TYR A 82 5.868 -14.230 -6.208 1.00 0.00 C ATOM 1305 C TYR A 82 5.450 -15.593 -5.665 1.00 0.00 C ATOM 1306 O TYR A 82 6.014 -16.622 -6.038 1.00 0.00 O ATOM 1307 CB TYR A 82 6.580 -13.430 -5.116 1.00 0.00 C ATOM 1308 CG TYR A 82 7.955 -13.959 -4.776 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.919 -14.132 -5.763 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.291 -14.285 -3.468 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.175 -14.617 -5.457 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.546 -14.768 -3.153 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.485 -14.932 -4.151 1.00 0.00 C ATOM 1314 OH TYR A 82 11.736 -15.414 -3.841 1.00 0.00 O ATOM 0 H TYR A 82 4.299 -12.850 -6.029 1.00 0.00 H new ATOM 0 HA TYR A 82 6.554 -14.386 -7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.669 -12.392 -5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.966 -13.434 -4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.681 -13.883 -6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.559 -14.159 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.911 -14.749 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.791 -15.016 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 82 12.413 -14.752 -4.094 1.00 0.00 H new ATOM 1324 N ASN A 83 4.458 -15.592 -4.781 1.00 0.00 N ATOM 1325 CA ASN A 83 3.963 -16.828 -4.186 1.00 0.00 C ATOM 1326 C ASN A 83 2.625 -17.229 -4.799 1.00 0.00 C ATOM 1327 O ASN A 83 2.089 -16.529 -5.658 1.00 0.00 O ATOM 1328 CB ASN A 83 3.814 -16.665 -2.672 1.00 0.00 C ATOM 1329 CG ASN A 83 4.916 -15.813 -2.071 1.00 0.00 C ATOM 1330 OD1 ASN A 83 6.095 -15.995 -2.378 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.536 -14.877 -1.209 1.00 0.00 N ATOM 0 H ASN A 83 3.981 -14.749 -4.461 1.00 0.00 H new ATOM 0 HA ASN A 83 4.687 -17.616 -4.391 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.847 -16.212 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.821 -17.648 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.232 -14.273 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.548 -14.762 -0.984 1.00 0.00 H new ATOM 1338 N ALA A 84 2.091 -18.360 -4.351 1.00 0.00 N ATOM 1339 CA ALA A 84 0.815 -18.853 -4.853 1.00 0.00 C ATOM 1340 C ALA A 84 -0.224 -18.924 -3.739 1.00 0.00 C ATOM 1341 O ALA A 84 0.053 -18.567 -2.594 1.00 0.00 O ATOM 1342 CB ALA A 84 0.994 -20.221 -5.497 1.00 0.00 C ATOM 0 H ALA A 84 2.522 -18.952 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 84 0.455 -18.152 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.033 -20.577 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.697 -20.143 -6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.381 -20.923 -4.758 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.422 -19.386 -4.081 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.503 -19.503 -3.110 1.00 0.00 C ATOM 1350 C LYS A 85 -2.141 -20.495 -2.010 1.00 0.00 C ATOM 1351 O LYS A 85 -2.680 -20.435 -0.904 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.794 -19.944 -3.804 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.324 -18.931 -4.803 1.00 0.00 C ATOM 1354 CD LYS A 85 -5.276 -19.573 -5.798 1.00 0.00 C ATOM 1355 CE LYS A 85 -5.642 -18.614 -6.919 1.00 0.00 C ATOM 1356 NZ LYS A 85 -6.670 -19.191 -7.830 1.00 0.00 N ATOM 0 H LYS A 85 -1.669 -19.686 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.658 -18.524 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.616 -20.889 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.557 -20.130 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.838 -18.130 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.490 -18.476 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.815 -20.467 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.181 -19.893 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.016 -17.683 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.748 -18.366 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.892 -18.506 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.304 -20.066 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.533 -19.404 -7.289 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.224 -21.405 -2.319 1.00 0.00 N ATOM 1371 CA ASP A 86 -0.788 -22.409 -1.355 1.00 0.00 C ATOM 1372 C ASP A 86 -0.114 -21.753 -0.155 1.00 0.00 C ATOM 1373 O ASP A 86 -0.297 -22.181 0.986 1.00 0.00 O ATOM 1374 CB ASP A 86 0.173 -23.399 -2.017 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.484 -24.182 -3.137 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.697 -24.461 -3.034 1.00 0.00 O ATOM 1377 OD2 ASP A 86 0.215 -24.516 -4.116 1.00 0.00 O ATOM 0 H ASP A 86 -0.768 -21.468 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.669 -22.948 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.033 -22.858 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.550 -24.092 -1.265 1.00 0.00 H new ATOM 1382 N THR A 87 0.669 -20.711 -0.418 1.00 0.00 N ATOM 1383 CA THR A 87 1.372 -19.997 0.639 1.00 0.00 C ATOM 1384 C THR A 87 0.413 -19.135 1.453 1.00 0.00 C ATOM 1385 O THR A 87 -0.715 -18.879 1.033 1.00 0.00 O ATOM 1386 CB THR A 87 2.488 -19.102 0.067 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.928 -18.130 -0.825 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.526 -19.935 -0.669 1.00 0.00 C ATOM 0 H THR A 87 0.832 -20.343 -1.355 1.00 0.00 H new ATOM 0 HA THR A 87 1.818 -20.752 1.287 1.00 0.00 H new ATOM 0 HB THR A 87 2.977 -18.593 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.037 -18.422 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.304 -19.281 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.971 -20.653 0.020 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.048 -20.468 -1.491 1.00 0.00 H new ATOM 1396 N ILE A 88 0.869 -18.691 2.620 1.00 0.00 N ATOM 1397 CA ILE A 88 0.051 -17.857 3.492 1.00 0.00 C ATOM 1398 C ILE A 88 0.016 -16.415 2.998 1.00 0.00 C ATOM 1399 O ILE A 88 -1.040 -15.899 2.630 1.00 0.00 O ATOM 1400 CB ILE A 88 0.571 -17.879 4.941 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.006 -19.080 5.694 1.00 0.00 C ATOM 1402 CG2 ILE A 88 0.214 -16.581 5.651 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.349 -19.098 7.165 1.00 0.00 C ATOM 0 H ILE A 88 1.800 -18.895 2.983 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.957 -18.271 3.470 1.00 0.00 H new ATOM 0 HB ILE A 88 1.657 -17.973 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.091 -19.077 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.356 -19.998 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.588 -16.611 6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.667 -15.741 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.869 -16.459 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.093 -19.976 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.433 -19.133 7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.037 -18.198 7.643 1.00 0.00 H new ATOM 1415 N PHE A 89 1.178 -15.770 2.990 1.00 0.00 N ATOM 1416 CA PHE A 89 1.280 -14.386 2.540 1.00 0.00 C ATOM 1417 C PHE A 89 0.367 -14.134 1.343 1.00 0.00 C ATOM 1418 O PHE A 89 -0.070 -13.007 1.110 1.00 0.00 O ATOM 1419 CB PHE A 89 2.727 -14.054 2.170 1.00 0.00 C ATOM 1420 CG PHE A 89 3.742 -14.778 3.008 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.575 -14.888 4.379 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.861 -15.351 2.425 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.508 -15.554 5.153 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.796 -16.017 3.192 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.619 -16.120 4.559 1.00 0.00 C ATOM 0 H PHE A 89 2.061 -16.183 3.290 1.00 0.00 H new ATOM 0 HA PHE A 89 0.963 -13.740 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.891 -14.301 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.882 -12.980 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.707 -14.449 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.003 -15.276 1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.368 -15.631 6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.665 -16.457 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.348 -16.642 5.161 1.00 0.00 H new ATOM 1435 N TYR A 90 0.085 -15.190 0.590 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.773 -15.083 -0.584 1.00 0.00 C ATOM 1437 C TYR A 90 -2.231 -14.890 -0.178 1.00 0.00 C ATOM 1438 O TYR A 90 -2.862 -13.898 -0.543 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.637 -16.334 -1.457 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.302 -16.203 -2.809 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.676 -16.028 -2.915 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.555 -16.255 -3.979 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.287 -15.910 -4.148 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.157 -16.136 -5.217 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.524 -15.964 -5.296 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.129 -15.845 -6.526 1.00 0.00 O ATOM 0 H TYR A 90 0.438 -16.130 0.771 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.455 -14.211 -1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.421 -16.553 -1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.069 -17.184 -0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.276 -15.983 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.515 -16.391 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.357 -15.776 -4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.562 -16.177 -6.117 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.451 -15.903 -7.231 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.758 -15.845 0.581 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.141 -15.781 1.039 1.00 0.00 C ATOM 1458 C ARG A 91 -4.381 -14.526 1.873 1.00 0.00 C ATOM 1459 O ARG A 91 -5.496 -14.008 1.926 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.488 -17.025 1.858 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.900 -18.217 1.010 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.923 -19.500 1.826 1.00 0.00 C ATOM 1463 NE ARG A 91 -5.449 -20.627 1.060 1.00 0.00 N ATOM 1464 CZ ARG A 91 -5.212 -21.898 1.365 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -4.460 -22.202 2.414 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -5.728 -22.867 0.620 1.00 0.00 N ATOM 0 H ARG A 91 -2.249 -16.672 0.892 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.786 -15.741 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.626 -17.302 2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.298 -16.782 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.887 -18.038 0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.208 -18.328 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.913 -19.732 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.532 -19.352 2.717 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.030 -20.427 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.062 -21.459 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.279 -23.179 2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.307 -22.636 -0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.546 -23.843 0.855 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.327 -14.044 2.523 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.422 -12.850 3.353 1.00 0.00 C ATOM 1482 C ALA A 92 -3.517 -11.591 2.496 1.00 0.00 C ATOM 1483 O ALA A 92 -4.259 -10.664 2.820 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.227 -12.763 4.291 1.00 0.00 C ATOM 0 H ALA A 92 -2.397 -14.462 2.491 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.333 -12.923 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.311 -11.866 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.205 -13.643 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.308 -12.718 3.706 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.762 -11.567 1.404 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.761 -10.423 0.501 1.00 0.00 C ATOM 1492 C ALA A 93 -4.100 -10.292 -0.220 1.00 0.00 C ATOM 1493 O ALA A 93 -4.580 -9.186 -0.461 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.628 -10.545 -0.507 1.00 0.00 C ATOM 0 H ALA A 93 -2.143 -12.327 1.123 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.607 -9.523 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.640 -9.683 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.675 -10.582 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.756 -11.457 -1.090 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.697 -11.430 -0.560 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.980 -11.442 -1.252 1.00 0.00 C ATOM 1502 C VAL A 94 -7.027 -10.644 -0.484 1.00 0.00 C ATOM 1503 O VAL A 94 -7.618 -9.703 -1.016 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.494 -12.880 -1.455 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.984 -12.877 -1.759 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.717 -13.572 -2.564 1.00 0.00 C ATOM 0 H VAL A 94 -4.313 -12.355 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.818 -10.980 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.337 -13.437 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.329 -13.901 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.524 -12.423 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.169 -12.304 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.094 -14.587 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.840 -13.018 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.660 -13.608 -2.300 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.251 -11.024 0.770 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.227 -10.343 1.612 1.00 0.00 C ATOM 1518 C ARG A 95 -7.982 -8.837 1.619 1.00 0.00 C ATOM 1519 O ARG A 95 -8.901 -8.047 1.398 1.00 0.00 O ATOM 1520 CB ARG A 95 -8.167 -10.887 3.041 1.00 0.00 C ATOM 1521 CG ARG A 95 -9.062 -10.139 4.014 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.548 -11.046 5.134 1.00 0.00 C ATOM 1523 NE ARG A 95 -10.792 -11.728 4.786 1.00 0.00 N ATOM 1524 CZ ARG A 95 -11.333 -12.692 5.522 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.742 -13.085 6.642 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -12.466 -13.265 5.138 1.00 0.00 N ATOM 0 H ARG A 95 -6.770 -11.800 1.225 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.219 -10.531 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.452 -11.939 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.138 -10.839 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.516 -9.296 4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.919 -9.728 3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.780 -11.786 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.699 -10.456 6.038 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.272 -11.448 3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.870 -12.647 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.159 -13.826 7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.923 -12.965 4.277 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.881 -14.005 5.704 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.739 -8.446 1.875 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.373 -7.034 1.911 1.00 0.00 C ATOM 1542 C LEU A 96 -6.853 -6.315 0.655 1.00 0.00 C ATOM 1543 O LEU A 96 -7.499 -5.270 0.734 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.857 -6.883 2.052 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.295 -7.044 3.465 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.779 -7.153 3.426 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.725 -5.879 4.345 1.00 0.00 C ATOM 0 H LEU A 96 -5.967 -9.086 2.061 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.859 -6.580 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.377 -7.618 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.574 -5.898 1.680 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.694 -7.964 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.396 -7.267 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.492 -8.019 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.361 -6.251 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.316 -6.010 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.354 -4.946 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.813 -5.846 4.399 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.533 -6.882 -0.505 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.932 -6.295 -1.778 1.00 0.00 C ATOM 1561 C ARG A 97 -8.446 -6.117 -1.844 1.00 0.00 C ATOM 1562 O ARG A 97 -8.942 -5.130 -2.387 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.460 -7.172 -2.938 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.763 -6.586 -4.307 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.244 -7.480 -5.423 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.414 -6.869 -6.739 1.00 0.00 N ATOM 1567 CZ ARG A 97 -7.548 -6.917 -7.430 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -8.604 -7.544 -6.934 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -7.625 -6.335 -8.620 1.00 0.00 N ATOM 0 H ARG A 97 -5.999 -7.747 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.464 -5.314 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.385 -7.329 -2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.933 -8.151 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.839 -6.453 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.309 -5.598 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.188 -7.692 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.769 -8.435 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.619 -6.379 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.548 -7.992 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.473 -7.579 -7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.814 -5.851 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.495 -6.372 -9.150 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.175 -7.080 -1.288 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.632 -7.030 -1.285 1.00 0.00 C ATOM 1585 C GLU A 98 -11.138 -5.975 -0.304 1.00 0.00 C ATOM 1586 O GLU A 98 -11.770 -4.997 -0.701 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.211 -8.399 -0.923 1.00 0.00 C ATOM 1588 CG GLU A 98 -11.210 -9.385 -2.078 1.00 0.00 C ATOM 1589 CD GLU A 98 -12.179 -8.997 -3.178 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -13.401 -9.001 -2.921 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.715 -8.689 -4.296 1.00 0.00 O ATOM 0 H GLU A 98 -8.780 -7.904 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.963 -6.758 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.638 -8.820 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.233 -8.269 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.204 -9.452 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.468 -10.376 -1.705 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.856 -6.185 0.977 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.284 -5.253 2.015 1.00 0.00 C ATOM 1600 C GLN A 99 -10.557 -3.919 1.882 1.00 0.00 C ATOM 1601 O GLN A 99 -11.186 -2.866 1.781 1.00 0.00 O ATOM 1602 CB GLN A 99 -11.031 -5.849 3.401 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.723 -7.183 3.625 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.873 -7.523 5.095 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -12.171 -6.656 5.918 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.666 -8.790 5.434 1.00 0.00 N ATOM 0 H GLN A 99 -10.334 -6.991 1.322 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.353 -5.078 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.958 -5.978 3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.369 -5.142 4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.708 -7.160 3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.155 -7.970 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.421 -9.476 4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.752 -9.078 6.409 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.229 -3.971 1.883 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.440 -2.759 1.762 1.00 0.00 C ATOM 1617 C GLY A 100 -8.965 -1.830 0.686 1.00 0.00 C ATOM 1618 O GLY A 100 -8.897 -0.609 0.823 1.00 0.00 O ATOM 0 H GLY A 100 -8.685 -4.830 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.435 -2.236 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.407 -3.023 1.537 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.488 -2.409 -0.391 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.016 -1.609 -1.480 1.00 0.00 C ATOM 1624 C GLY A 101 -10.993 -0.553 -1.003 1.00 0.00 C ATOM 1625 O GLY A 101 -10.964 0.586 -1.469 1.00 0.00 O ATOM 0 H GLY A 101 -9.555 -3.417 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.192 -1.126 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.513 -2.261 -2.198 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.862 -0.930 -0.071 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.852 -0.007 0.470 1.00 0.00 C ATOM 1631 C ALA A 102 -12.181 1.201 1.115 1.00 0.00 C ATOM 1632 O ALA A 102 -12.769 2.279 1.197 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.742 -0.718 1.478 1.00 0.00 C ATOM 0 H ALA A 102 -11.900 -1.869 0.325 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.469 0.349 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.476 -0.016 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.257 -1.545 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.131 -1.103 2.295 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.946 1.014 1.570 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.195 2.089 2.206 1.00 0.00 C ATOM 1641 C VAL A 103 -9.646 3.063 1.171 1.00 0.00 C ATOM 1642 O VAL A 103 -9.711 4.280 1.351 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.028 1.538 3.047 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.160 2.673 3.567 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.554 0.688 4.194 1.00 0.00 C ATOM 0 H VAL A 103 -10.445 0.128 1.510 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.889 2.614 2.862 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.411 0.905 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.341 2.263 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.754 3.235 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.762 3.335 4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.716 0.307 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.195 1.295 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.128 -0.148 3.794 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.104 2.522 0.086 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.543 3.343 -0.981 1.00 0.00 C ATOM 1657 C LEU A 104 -9.648 4.017 -1.788 1.00 0.00 C ATOM 1658 O LEU A 104 -9.484 5.142 -2.262 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.670 2.490 -1.903 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.413 1.888 -1.273 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.862 0.770 -2.143 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.361 2.964 -1.052 1.00 0.00 C ATOM 0 H LEU A 104 -9.041 1.517 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.928 4.118 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.280 1.677 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.368 3.102 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.681 1.466 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.968 0.354 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.613 -0.013 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.609 1.165 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.473 2.518 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.096 3.416 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.758 3.730 -0.386 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.771 3.325 -1.937 1.00 0.00 N ATOM 1675 CA ARG A 105 -11.904 3.857 -2.685 1.00 0.00 C ATOM 1676 C ARG A 105 -12.618 4.945 -1.888 1.00 0.00 C ATOM 1677 O ARG A 105 -13.125 5.911 -2.457 1.00 0.00 O ATOM 1678 CB ARG A 105 -12.885 2.736 -3.033 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.576 2.042 -4.349 1.00 0.00 C ATOM 1680 CD ARG A 105 -13.693 1.094 -4.754 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.490 0.551 -6.096 1.00 0.00 N ATOM 1682 CZ ARG A 105 -14.092 -0.546 -6.543 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -14.928 -1.213 -5.760 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -13.855 -0.978 -7.775 1.00 0.00 N ATOM 0 H ARG A 105 -10.922 2.394 -1.550 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.525 4.296 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.878 1.997 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.893 3.148 -3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.430 2.788 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.642 1.488 -4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.752 0.275 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.647 1.620 -4.716 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.852 1.041 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.111 -0.884 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.389 -2.055 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.211 -0.468 -8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.317 -1.820 -8.118 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.655 4.778 -0.570 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.308 5.745 0.303 1.00 0.00 C ATOM 1700 C GLN A 106 -12.400 6.942 0.566 1.00 0.00 C ATOM 1701 O GLN A 106 -12.862 8.003 0.986 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.699 5.086 1.626 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.558 5.007 2.627 1.00 0.00 C ATOM 1704 CD GLN A 106 -13.016 4.561 4.002 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -14.008 3.843 4.136 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.296 4.987 5.033 1.00 0.00 N ATOM 0 H GLN A 106 -12.241 3.983 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.209 6.099 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.523 5.644 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.066 4.079 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.803 4.313 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.081 5.984 2.706 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.481 5.580 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.557 4.721 5.982 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.107 6.763 0.317 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.135 7.830 0.526 1.00 0.00 C ATOM 1717 C ALA A 107 -9.928 8.641 -0.749 1.00 0.00 C ATOM 1718 O ALA A 107 -9.622 9.832 -0.695 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.812 7.250 1.006 1.00 0.00 C ATOM 0 H ALA A 107 -10.708 5.890 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.525 8.500 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.095 8.057 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.967 6.720 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.426 6.558 0.258 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.096 7.988 -1.894 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.925 8.649 -3.182 1.00 0.00 C ATOM 1727 C ARG A 108 -10.821 9.879 -3.285 1.00 0.00 C ATOM 1728 O ARG A 108 -10.377 10.951 -3.698 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.241 7.679 -4.323 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.513 8.004 -5.617 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.150 7.302 -6.806 1.00 0.00 C ATOM 1732 NE ARG A 108 -10.074 5.848 -6.688 1.00 0.00 N ATOM 1733 CZ ARG A 108 -10.558 5.010 -7.599 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -11.149 5.481 -8.688 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -10.450 3.700 -7.420 1.00 0.00 N ATOM 0 H ARG A 108 -10.350 7.002 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.886 8.969 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.978 6.668 -4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.315 7.687 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.524 9.082 -5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.468 7.704 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.194 7.605 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.652 7.618 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.625 5.454 -5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.233 6.488 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.520 4.837 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.995 3.335 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.822 3.057 -8.119 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.085 9.718 -2.907 1.00 0.00 N ATOM 1750 CA ARG A 109 -13.044 10.815 -2.958 1.00 0.00 C ATOM 1751 C ARG A 109 -12.544 12.013 -2.158 1.00 0.00 C ATOM 1752 O ARG A 109 -12.798 13.162 -2.517 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.402 10.360 -2.419 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.378 9.988 -0.945 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.659 9.282 -0.528 1.00 0.00 C ATOM 1756 NE ARG A 109 -15.618 7.853 -0.825 1.00 0.00 N ATOM 1757 CZ ARG A 109 -16.587 7.006 -0.495 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.667 7.442 0.137 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -16.476 5.719 -0.799 1.00 0.00 N ATOM 0 H ARG A 109 -12.469 8.838 -2.562 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.156 11.117 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.130 11.157 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.743 9.501 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.523 9.341 -0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.245 10.887 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.821 9.426 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -16.506 9.735 -1.042 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.801 7.485 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.756 8.431 0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.409 6.789 0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.647 5.380 -1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.220 5.069 -0.545 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.830 11.736 -1.071 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.294 12.790 -0.219 1.00 0.00 C ATOM 1775 C GLN A 110 -10.246 13.611 -0.963 1.00 0.00 C ATOM 1776 O GLN A 110 -10.393 14.823 -1.124 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.684 12.191 1.049 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.625 11.258 1.795 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.306 11.168 3.275 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.163 10.076 3.825 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.191 12.320 3.927 1.00 0.00 N ATOM 0 H GLN A 110 -11.610 10.790 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.116 13.450 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.779 11.645 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.384 13.000 1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.650 11.605 1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.569 10.263 1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.318 13.202 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -10.976 12.322 4.924 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.189 12.944 -1.414 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.117 13.611 -2.143 1.00 0.00 C ATOM 1792 C ALA A 111 -8.676 14.506 -3.243 1.00 0.00 C ATOM 1793 O ALA A 111 -7.997 15.413 -3.723 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.158 12.585 -2.728 1.00 0.00 C ATOM 0 H ALA A 111 -9.052 11.941 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.571 14.242 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.363 13.097 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.725 11.991 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.698 11.930 -3.411 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.918 14.242 -3.640 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.566 15.024 -4.687 1.00 0.00 C ATOM 1802 C GLU A 112 -11.356 16.185 -4.089 1.00 0.00 C ATOM 1803 O GLU A 112 -11.282 17.315 -4.572 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.496 14.135 -5.516 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.781 12.985 -6.206 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.456 12.570 -7.498 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -11.916 13.464 -8.240 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.527 11.353 -7.768 1.00 0.00 O ATOM 0 H GLU A 112 -10.494 13.494 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.789 15.430 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.273 13.732 -4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.994 14.746 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.751 13.275 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.740 12.130 -5.531 1.00 0.00 H new ATOM 1815 N LYS A 113 -12.111 15.899 -3.034 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.915 16.917 -2.369 1.00 0.00 C ATOM 1817 C LYS A 113 -12.033 18.037 -1.826 1.00 0.00 C ATOM 1818 O LYS A 113 -12.463 19.186 -1.729 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.724 16.294 -1.229 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.999 16.298 0.105 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.871 15.737 1.216 1.00 0.00 C ATOM 1822 CE LYS A 113 -14.814 16.794 1.771 1.00 0.00 C ATOM 1823 NZ LYS A 113 -14.106 17.756 2.662 1.00 0.00 N ATOM 0 H LYS A 113 -12.183 14.969 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.600 17.340 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.664 16.836 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.976 15.267 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.086 15.708 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.700 17.316 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.450 14.895 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.239 15.354 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.278 17.336 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -15.617 16.309 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.801 18.375 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.573 17.232 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -13.450 18.333 2.098 1.00 0.00 H new ATOM 1837 N MET A 114 -10.797 17.694 -1.476 1.00 0.00 N ATOM 1838 CA MET A 114 -9.854 18.672 -0.947 1.00 0.00 C ATOM 1839 C MET A 114 -9.955 19.991 -1.705 1.00 0.00 C ATOM 1840 O MET A 114 -10.057 21.059 -1.103 1.00 0.00 O ATOM 1841 CB MET A 114 -8.426 18.131 -1.027 1.00 0.00 C ATOM 1842 CG MET A 114 -8.166 16.958 -0.097 1.00 0.00 C ATOM 1843 SD MET A 114 -6.417 16.534 0.015 1.00 0.00 S ATOM 1844 CE MET A 114 -6.449 15.306 1.319 1.00 0.00 C ATOM 0 H MET A 114 -10.426 16.747 -1.549 1.00 0.00 H new ATOM 0 HA MET A 114 -10.107 18.855 0.097 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.220 17.823 -2.052 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.728 18.934 -0.789 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.542 17.198 0.898 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.724 16.090 -0.448 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.965 15.708 2.209 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.482 15.050 1.552 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.919 14.412 0.990 1.00 0.00 H new