USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 935 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 109 SER OG : rot 87:sc= 1.23 USER MOD Set 1.2: A 112 GLN : amide:sc= -1.79! C(o=-0.56!,f=-5.7!) USER MOD Set 2.1: A 7 HIS :FLIP no HD1:sc= -2.73! C(o=-0.64!,f=-0.48!) USER MOD Set 2.2: A 9 GLN :FLIP amide:sc= 1.03 F(o=-3.1,f=-0.48) USER MOD Set 2.3: A 10 THR OG1 : rot 61:sc= 1.22 USER MOD Single : A 14 ASN : amide:sc=-0.000729 X(o=-0.00073,f=-0.02) USER MOD Single : A 15 SER OG : rot 120:sc= -3.69! USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.698 (180deg=-0.993) USER MOD Single : A 26 THR OG1 : rot -90:sc= -2.85! USER MOD Single : A 30 ASN : amide:sc= -3.99! C(o=-4!,f=-4.2!) USER MOD Single : A 31 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.13) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 167:sc= -0.451 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -5.31! C(o=-5.3!,f=-6.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -149:sc= -0.688 (180deg=-2.24!) USER MOD Single : A 43 THR OG1 : rot -140:sc= -1.42 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -141:sc= -1.35! (180deg=-4.19!) USER MOD Single : A 46 TYR OH : rot 140:sc= -0.119 USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= -2.25! (180deg=-3.34!) USER MOD Single : A 50 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.043) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.038 USER MOD Single : A 63 THR OG1 : rot 143:sc= -4.57! USER MOD Single : A 66 MET CE :methyl 166:sc= -0.0653 (180deg=-0.401) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -2.73! USER MOD Single : A 72 TYR OH : rot -113:sc= -1.07! USER MOD Single : A 74 HIS :FLIP no HE2:sc= -5.62! C(o=-6.5!,f=-5.6!) USER MOD Single : A 76 SER OG : rot 42:sc= 0.503 USER MOD Single : A 77 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.12) USER MOD Single : A 78 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.1!) USER MOD Single : A 80 SER OG : rot -43:sc= 0.548 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.89) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -7.36! C(o=-8.2!,f=-7.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 98 THR OG1 : rot -30:sc= 0.856 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 47:sc= 1.54 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 114:sc= -10.7! USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.453 USER MOD ----------------------------------------------------------------- ATOM 27 N CYS A 3 -4.250 14.672 0.626 1.00 0.00 N ATOM 28 CA CYS A 3 -2.972 15.281 0.943 1.00 0.00 C ATOM 29 C CYS A 3 -1.874 14.614 0.124 1.00 0.00 C ATOM 30 O CYS A 3 -2.138 13.671 -0.620 1.00 0.00 O ATOM 31 CB CYS A 3 -2.688 15.128 2.443 1.00 0.00 C ATOM 32 SG CYS A 3 -2.474 13.420 2.988 1.00 0.00 S ATOM 0 HA CYS A 3 -3.000 16.343 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.788 15.691 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.508 15.576 3.004 1.00 0.00 H new ATOM 37 N VAL A 4 -0.646 15.094 0.260 1.00 0.00 N ATOM 38 CA VAL A 4 0.465 14.516 -0.480 1.00 0.00 C ATOM 39 C VAL A 4 1.213 13.490 0.372 1.00 0.00 C ATOM 40 O VAL A 4 1.095 13.480 1.597 1.00 0.00 O ATOM 41 CB VAL A 4 1.441 15.600 -0.989 1.00 0.00 C ATOM 42 CG1 VAL A 4 0.675 16.748 -1.633 1.00 0.00 C ATOM 43 CG2 VAL A 4 2.328 16.104 0.138 1.00 0.00 C ATOM 0 H VAL A 4 -0.396 15.873 0.869 1.00 0.00 H new ATOM 0 HA VAL A 4 0.043 14.011 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 4 2.085 15.152 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.378 17.502 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.095 16.371 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.003 17.194 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.006 16.866 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.708 16.533 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.907 15.275 0.544 1.00 0.00 H new ATOM 53 N PRO A 5 1.979 12.599 -0.275 1.00 0.00 N ATOM 54 CA PRO A 5 2.738 11.542 0.402 1.00 0.00 C ATOM 55 C PRO A 5 3.407 11.980 1.710 1.00 0.00 C ATOM 56 O PRO A 5 4.347 12.776 1.698 1.00 0.00 O ATOM 57 CB PRO A 5 3.794 11.187 -0.639 1.00 0.00 C ATOM 58 CG PRO A 5 3.104 11.383 -1.943 1.00 0.00 C ATOM 59 CD PRO A 5 2.152 12.534 -1.742 1.00 0.00 C ATOM 0 HA PRO A 5 2.090 10.722 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.670 11.829 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.139 10.160 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.821 11.603 -2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.568 10.481 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.560 13.464 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.203 12.361 -2.249 1.00 0.00 H new ATOM 67 N PRO A 6 2.952 11.430 2.857 1.00 0.00 N ATOM 68 CA PRO A 6 3.521 11.723 4.171 1.00 0.00 C ATOM 69 C PRO A 6 4.744 10.879 4.429 1.00 0.00 C ATOM 70 O PRO A 6 4.768 9.691 4.104 1.00 0.00 O ATOM 71 CB PRO A 6 2.393 11.370 5.153 1.00 0.00 C ATOM 72 CG PRO A 6 1.308 10.723 4.341 1.00 0.00 C ATOM 73 CD PRO A 6 1.869 10.452 2.970 1.00 0.00 C ATOM 0 HA PRO A 6 3.848 12.759 4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.752 10.694 5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.022 12.264 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.979 9.796 4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.437 11.375 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.237 9.430 2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.118 10.590 2.192 1.00 0.00 H new ATOM 81 N HIS A 7 5.778 11.515 4.967 1.00 0.00 N ATOM 82 CA HIS A 7 7.051 10.861 5.229 1.00 0.00 C ATOM 83 C HIS A 7 6.913 9.362 5.494 1.00 0.00 C ATOM 84 O HIS A 7 6.150 8.929 6.358 1.00 0.00 O ATOM 85 CB HIS A 7 7.763 11.533 6.418 1.00 0.00 C ATOM 86 CG HIS A 7 6.858 12.297 7.344 1.00 0.00 C ATOM 87 ND1 HIS A 7 6.218 13.483 7.188 1.00 0.00 N flip ATOM 88 CD2 HIS A 7 6.526 11.852 8.607 1.00 0.00 C flip ATOM 89 CE1 HIS A 7 5.521 13.724 8.345 1.00 0.00 C flip ATOM 90 NE2 HIS A 7 5.721 12.727 9.185 1.00 0.00 N flip ATOM 0 H HIS A 7 5.756 12.499 5.233 1.00 0.00 H new ATOM 0 HA HIS A 7 7.646 10.973 4.323 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.284 10.767 6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.522 12.213 6.032 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.870 10.931 9.054 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.907 14.591 8.537 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.323 12.645 10.120 1.00 0.00 H new ATOM 99 N PRO A 8 7.711 8.565 4.761 1.00 0.00 N ATOM 100 CA PRO A 8 7.765 7.106 4.905 1.00 0.00 C ATOM 101 C PRO A 8 8.423 6.739 6.217 1.00 0.00 C ATOM 102 O PRO A 8 8.392 5.594 6.658 1.00 0.00 O ATOM 103 CB PRO A 8 8.641 6.675 3.737 1.00 0.00 C ATOM 104 CG PRO A 8 9.551 7.827 3.576 1.00 0.00 C ATOM 105 CD PRO A 8 8.686 9.038 3.776 1.00 0.00 C ATOM 0 HA PRO A 8 6.783 6.633 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.185 5.756 3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.055 6.492 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.360 7.795 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.012 7.830 2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.257 9.889 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.207 9.354 2.849 1.00 0.00 H new ATOM 113 N GLN A 9 8.964 7.758 6.865 1.00 0.00 N ATOM 114 CA GLN A 9 9.570 7.588 8.157 1.00 0.00 C ATOM 115 C GLN A 9 8.464 7.276 9.121 1.00 0.00 C ATOM 116 O GLN A 9 8.585 6.398 9.973 1.00 0.00 O ATOM 117 CB GLN A 9 10.312 8.868 8.575 1.00 0.00 C ATOM 118 CG GLN A 9 10.315 9.166 10.075 1.00 0.00 C ATOM 119 CD GLN A 9 9.698 10.514 10.402 1.00 0.00 C ATOM 120 OE1 GLN A 9 8.440 10.504 10.826 1.00 0.00 O flip ATOM 121 NE2 GLN A 9 10.346 11.553 10.272 1.00 0.00 N flip ATOM 0 H GLN A 9 8.991 8.713 6.507 1.00 0.00 H new ATOM 0 HA GLN A 9 10.304 6.782 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.345 8.796 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.863 9.714 8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.767 8.383 10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.340 9.140 10.445 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.311 11.515 9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.918 12.452 10.493 1.00 0.00 H new ATOM 130 N THR A 10 7.350 7.961 8.926 1.00 0.00 N ATOM 131 CA THR A 10 6.156 7.757 9.692 1.00 0.00 C ATOM 132 C THR A 10 5.288 6.714 8.999 1.00 0.00 C ATOM 133 O THR A 10 4.764 5.813 9.645 1.00 0.00 O ATOM 134 CB THR A 10 5.422 9.107 9.803 1.00 0.00 C ATOM 135 OG1 THR A 10 5.782 9.781 10.998 1.00 0.00 O ATOM 136 CG2 THR A 10 3.900 9.047 9.700 1.00 0.00 C ATOM 0 H THR A 10 7.260 8.686 8.214 1.00 0.00 H new ATOM 0 HA THR A 10 6.388 7.393 10.693 1.00 0.00 H new ATOM 0 HB THR A 10 5.756 9.658 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.746 9.959 10.996 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.489 10.053 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.617 8.626 8.735 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.506 8.420 10.500 1.00 0.00 H new ATOM 144 N ALA A 11 5.137 6.830 7.674 1.00 0.00 N ATOM 145 CA ALA A 11 4.326 5.894 6.912 1.00 0.00 C ATOM 146 C ALA A 11 4.820 4.466 7.053 1.00 0.00 C ATOM 147 O ALA A 11 4.018 3.546 7.192 1.00 0.00 O ATOM 148 CB ALA A 11 4.311 6.271 5.453 1.00 0.00 C ATOM 0 H ALA A 11 5.569 7.565 7.114 1.00 0.00 H new ATOM 0 HA ALA A 11 3.316 5.948 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.699 5.559 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.895 7.272 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.329 6.255 5.063 1.00 0.00 H new ATOM 154 N PHE A 12 6.134 4.267 7.023 1.00 0.00 N ATOM 155 CA PHE A 12 6.665 2.922 7.158 1.00 0.00 C ATOM 156 C PHE A 12 6.351 2.379 8.535 1.00 0.00 C ATOM 157 O PHE A 12 5.644 1.383 8.690 1.00 0.00 O ATOM 158 CB PHE A 12 8.166 2.876 6.878 1.00 0.00 C ATOM 159 CG PHE A 12 8.618 1.573 6.276 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.422 1.305 4.931 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.253 0.624 7.053 1.00 0.00 C ATOM 162 CE1 PHE A 12 8.850 0.112 4.380 1.00 0.00 C ATOM 163 CE2 PHE A 12 9.688 -0.566 6.511 1.00 0.00 C ATOM 164 CZ PHE A 12 9.486 -0.825 5.172 1.00 0.00 C ATOM 0 H PHE A 12 6.833 5.001 6.909 1.00 0.00 H new ATOM 0 HA PHE A 12 6.183 2.290 6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.428 3.691 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.708 3.046 7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.930 2.036 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.411 0.818 8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.688 -0.088 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.186 -1.294 7.134 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.824 -1.757 4.743 1.00 0.00 H new ATOM 174 N CYS A 13 6.989 2.996 9.531 1.00 0.00 N ATOM 175 CA CYS A 13 6.908 2.549 10.907 1.00 0.00 C ATOM 176 C CYS A 13 5.555 2.676 11.556 1.00 0.00 C ATOM 177 O CYS A 13 5.310 1.991 12.551 1.00 0.00 O ATOM 178 CB CYS A 13 7.922 3.307 11.761 1.00 0.00 C ATOM 179 SG CYS A 13 9.614 2.648 11.678 1.00 0.00 S ATOM 0 H CYS A 13 7.575 3.820 9.398 1.00 0.00 H new ATOM 0 HA CYS A 13 7.122 1.481 10.858 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.936 4.351 11.447 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.589 3.291 12.799 1.00 0.00 H new ATOM 184 N ASN A 14 4.638 3.482 11.035 1.00 0.00 N ATOM 185 CA ASN A 14 3.336 3.554 11.644 1.00 0.00 C ATOM 186 C ASN A 14 2.453 2.483 11.028 1.00 0.00 C ATOM 187 O ASN A 14 1.668 1.843 11.728 1.00 0.00 O ATOM 188 CB ASN A 14 2.714 4.938 11.431 1.00 0.00 C ATOM 189 CG ASN A 14 2.203 5.555 12.716 1.00 0.00 C ATOM 190 OD1 ASN A 14 1.468 4.921 13.474 1.00 0.00 O ATOM 191 ND2 ASN A 14 2.589 6.802 12.966 1.00 0.00 N ATOM 0 H ASN A 14 4.774 4.075 10.216 1.00 0.00 H new ATOM 0 HA ASN A 14 3.428 3.390 12.718 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.456 5.600 10.985 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.892 4.856 10.720 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.275 7.272 13.815 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.199 7.288 12.309 1.00 0.00 H new ATOM 198 N SER A 15 2.582 2.269 9.706 1.00 0.00 N ATOM 199 CA SER A 15 1.815 1.280 9.008 1.00 0.00 C ATOM 200 C SER A 15 2.295 -0.113 9.322 1.00 0.00 C ATOM 201 O SER A 15 3.475 -0.387 9.544 1.00 0.00 O ATOM 202 CB SER A 15 1.879 1.491 7.511 1.00 0.00 C ATOM 203 OG SER A 15 0.585 1.590 6.949 1.00 0.00 O ATOM 0 H SER A 15 3.228 2.789 9.112 1.00 0.00 H new ATOM 0 HA SER A 15 0.784 1.389 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.442 2.398 7.294 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.416 0.663 7.048 1.00 0.00 H new ATOM 0 HG SER A 15 0.483 2.462 6.514 1.00 0.00 H new ATOM 209 N ASP A 16 1.315 -0.944 9.366 1.00 0.00 N ATOM 210 CA ASP A 16 1.453 -2.354 9.686 1.00 0.00 C ATOM 211 C ASP A 16 1.364 -3.255 8.460 1.00 0.00 C ATOM 212 O ASP A 16 1.224 -4.473 8.576 1.00 0.00 O ATOM 213 CB ASP A 16 0.346 -2.727 10.658 1.00 0.00 C ATOM 214 CG ASP A 16 0.765 -2.595 12.108 1.00 0.00 C ATOM 215 OD1 ASP A 16 1.171 -1.486 12.511 1.00 0.00 O ATOM 216 OD2 ASP A 16 0.683 -3.603 12.842 1.00 0.00 O ATOM 0 H ASP A 16 0.352 -0.668 9.176 1.00 0.00 H new ATOM 0 HA ASP A 16 2.442 -2.505 10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.520 -2.091 10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.033 -3.754 10.468 1.00 0.00 H new ATOM 221 N LEU A 17 1.594 -2.660 7.308 1.00 0.00 N ATOM 222 CA LEU A 17 1.702 -3.418 6.072 1.00 0.00 C ATOM 223 C LEU A 17 2.366 -2.568 5.008 1.00 0.00 C ATOM 224 O LEU A 17 1.832 -1.555 4.589 1.00 0.00 O ATOM 225 CB LEU A 17 0.359 -3.956 5.590 1.00 0.00 C ATOM 226 CG LEU A 17 0.151 -5.448 5.823 1.00 0.00 C ATOM 227 CD1 LEU A 17 -1.148 -5.896 5.176 1.00 0.00 C ATOM 228 CD2 LEU A 17 1.321 -6.259 5.281 1.00 0.00 C ATOM 0 H LEU A 17 1.710 -1.653 7.198 1.00 0.00 H new ATOM 0 HA LEU A 17 2.321 -4.292 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.438 -3.409 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.262 -3.751 4.524 1.00 0.00 H new ATOM 0 HG LEU A 17 0.094 -5.622 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.290 -6.963 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.981 -5.345 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.106 -5.702 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.144 -7.319 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.419 -6.085 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.239 -5.954 5.783 1.00 0.00 H new ATOM 240 N VAL A 18 3.537 -2.996 4.569 1.00 0.00 N ATOM 241 CA VAL A 18 4.274 -2.278 3.552 1.00 0.00 C ATOM 242 C VAL A 18 4.799 -3.266 2.547 1.00 0.00 C ATOM 243 O VAL A 18 5.499 -4.205 2.918 1.00 0.00 O ATOM 244 CB VAL A 18 5.477 -1.501 4.140 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.999 -0.482 3.138 1.00 0.00 C ATOM 246 CG2 VAL A 18 5.110 -0.822 5.454 1.00 0.00 C ATOM 0 H VAL A 18 3.997 -3.842 4.905 1.00 0.00 H new ATOM 0 HA VAL A 18 3.594 -1.560 3.095 1.00 0.00 H new ATOM 0 HB VAL A 18 6.269 -2.221 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.844 0.053 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.320 -0.995 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.207 0.226 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.976 -0.285 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.294 -0.120 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.797 -1.575 6.178 1.00 0.00 H new ATOM 256 N ILE A 19 4.414 -3.113 1.287 1.00 0.00 N ATOM 257 CA ILE A 19 4.797 -4.068 0.273 1.00 0.00 C ATOM 258 C ILE A 19 4.764 -3.483 -1.126 1.00 0.00 C ATOM 259 O ILE A 19 4.054 -2.519 -1.405 1.00 0.00 O ATOM 260 CB ILE A 19 3.812 -5.261 0.281 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.416 -4.802 -0.162 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.729 -5.901 1.657 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.961 -5.413 -1.469 1.00 0.00 C ATOM 0 H ILE A 19 3.840 -2.340 0.951 1.00 0.00 H new ATOM 0 HA ILE A 19 5.816 -4.372 0.511 1.00 0.00 H new ATOM 0 HB ILE A 19 4.188 -6.006 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.696 -5.054 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.414 -3.716 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.029 -6.736 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.714 -6.264 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.384 -5.163 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.967 -5.042 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.658 -5.140 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.930 -6.498 -1.372 1.00 0.00 H new ATOM 275 N ARG A 20 5.499 -4.127 -2.006 1.00 0.00 N ATOM 276 CA ARG A 20 5.522 -3.734 -3.395 1.00 0.00 C ATOM 277 C ARG A 20 4.563 -4.646 -4.182 1.00 0.00 C ATOM 278 O ARG A 20 4.539 -5.864 -4.010 1.00 0.00 O ATOM 279 CB ARG A 20 6.957 -3.708 -3.950 1.00 0.00 C ATOM 280 CG ARG A 20 7.467 -5.024 -4.494 1.00 0.00 C ATOM 281 CD ARG A 20 7.785 -4.923 -5.980 1.00 0.00 C ATOM 282 NE ARG A 20 8.854 -5.834 -6.392 1.00 0.00 N ATOM 283 CZ ARG A 20 10.153 -5.563 -6.281 1.00 0.00 C ATOM 284 NH1 ARG A 20 10.560 -4.431 -5.722 1.00 0.00 N ATOM 285 NH2 ARG A 20 11.048 -6.433 -6.730 1.00 0.00 N ATOM 0 H ARG A 20 6.090 -4.928 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 20 5.167 -2.709 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.008 -2.962 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.629 -3.377 -3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.362 -5.323 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.720 -5.801 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.885 -5.141 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.074 -3.899 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 20 8.587 -6.734 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.876 -3.760 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.557 -4.232 -5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.740 -7.306 -7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.044 -6.229 -6.647 1.00 0.00 H new ATOM 299 N ALA A 21 3.738 -3.999 -4.992 1.00 0.00 N ATOM 300 CA ALA A 21 2.711 -4.711 -5.766 1.00 0.00 C ATOM 301 C ALA A 21 2.354 -4.054 -7.086 1.00 0.00 C ATOM 302 O ALA A 21 2.753 -2.946 -7.422 1.00 0.00 O ATOM 303 CB ALA A 21 1.464 -4.881 -4.914 1.00 0.00 C ATOM 0 H ALA A 21 3.753 -2.989 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 21 3.140 -5.679 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.701 -5.409 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.709 -5.455 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.086 -3.901 -4.623 1.00 0.00 H new ATOM 309 N LYS A 22 1.485 -4.812 -7.773 1.00 0.00 N ATOM 310 CA LYS A 22 0.861 -4.455 -9.047 1.00 0.00 C ATOM 311 C LYS A 22 -0.670 -4.548 -8.918 1.00 0.00 C ATOM 312 O LYS A 22 -1.175 -5.396 -8.195 1.00 0.00 O ATOM 313 CB LYS A 22 1.332 -5.398 -10.154 1.00 0.00 C ATOM 314 CG LYS A 22 2.505 -4.887 -10.959 1.00 0.00 C ATOM 315 CD LYS A 22 2.989 -5.928 -11.949 1.00 0.00 C ATOM 316 CE LYS A 22 4.226 -6.649 -11.447 1.00 0.00 C ATOM 317 NZ LYS A 22 3.900 -8.006 -10.932 1.00 0.00 N ATOM 0 H LYS A 22 1.189 -5.728 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 22 1.149 -3.435 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.604 -6.354 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.499 -5.588 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.216 -3.982 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.319 -4.615 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.195 -6.652 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.209 -5.448 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.953 -6.731 -12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.694 -6.062 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.759 -8.593 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.533 -7.930 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.180 -8.445 -11.541 1.00 0.00 H new ATOM 331 N PHE A 23 -1.402 -3.685 -9.619 1.00 0.00 N ATOM 332 CA PHE A 23 -2.872 -3.723 -9.564 1.00 0.00 C ATOM 333 C PHE A 23 -3.428 -4.542 -10.695 1.00 0.00 C ATOM 334 O PHE A 23 -3.149 -4.303 -11.870 1.00 0.00 O ATOM 335 CB PHE A 23 -3.467 -2.318 -9.574 1.00 0.00 C ATOM 336 CG PHE A 23 -3.279 -1.605 -8.274 1.00 0.00 C ATOM 337 CD1 PHE A 23 -2.017 -1.206 -7.875 1.00 0.00 C ATOM 338 CD2 PHE A 23 -4.358 -1.353 -7.441 1.00 0.00 C ATOM 339 CE1 PHE A 23 -1.830 -0.565 -6.669 1.00 0.00 C ATOM 340 CE2 PHE A 23 -4.175 -0.716 -6.231 1.00 0.00 C ATOM 341 CZ PHE A 23 -2.908 -0.322 -5.848 1.00 0.00 C ATOM 0 H PHE A 23 -1.015 -2.960 -10.224 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.154 -4.197 -8.624 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.005 -1.738 -10.373 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.532 -2.380 -9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.169 -1.399 -8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.350 -1.658 -7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.840 -0.254 -6.369 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.020 -0.526 -5.585 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.762 0.178 -4.902 1.00 0.00 H new ATOM 351 N VAL A 24 -4.177 -5.558 -10.305 1.00 0.00 N ATOM 352 CA VAL A 24 -4.744 -6.491 -11.229 1.00 0.00 C ATOM 353 C VAL A 24 -6.215 -6.788 -10.941 1.00 0.00 C ATOM 354 O VAL A 24 -6.666 -7.925 -11.081 1.00 0.00 O ATOM 355 CB VAL A 24 -3.939 -7.789 -11.163 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.560 -7.600 -11.772 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.849 -8.307 -9.736 1.00 0.00 C ATOM 0 H VAL A 24 -4.403 -5.750 -9.329 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.699 -6.048 -12.224 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.463 -8.542 -11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.005 -8.536 -11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.661 -7.302 -12.816 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.023 -6.826 -11.224 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.271 -9.231 -9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.360 -7.562 -9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.852 -8.500 -9.355 1.00 0.00 H new ATOM 367 N GLY A 25 -6.968 -5.750 -10.582 1.00 0.00 N ATOM 368 CA GLY A 25 -8.401 -5.891 -10.324 1.00 0.00 C ATOM 369 C GLY A 25 -9.076 -4.541 -10.146 1.00 0.00 C ATOM 370 O GLY A 25 -8.398 -3.522 -10.010 1.00 0.00 O ATOM 0 H GLY A 25 -6.610 -4.802 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.869 -6.425 -11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.552 -6.494 -9.429 1.00 0.00 H new ATOM 374 N THR A 26 -10.411 -4.522 -10.177 1.00 0.00 N ATOM 375 CA THR A 26 -11.188 -3.285 -10.049 1.00 0.00 C ATOM 376 C THR A 26 -11.690 -3.065 -8.616 1.00 0.00 C ATOM 377 O THR A 26 -11.826 -4.012 -7.843 1.00 0.00 O ATOM 378 CB THR A 26 -12.367 -3.332 -11.024 1.00 0.00 C ATOM 379 OG1 THR A 26 -13.023 -2.081 -11.094 1.00 0.00 O ATOM 380 CG2 THR A 26 -13.403 -4.376 -10.665 1.00 0.00 C ATOM 0 H THR A 26 -10.982 -5.359 -10.291 1.00 0.00 H new ATOM 0 HA THR A 26 -10.536 -2.445 -10.290 1.00 0.00 H new ATOM 0 HB THR A 26 -11.926 -3.595 -11.986 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.736 -2.047 -10.422 1.00 0.00 H new ATOM 0 HG21 THR A 26 -14.210 -4.355 -11.397 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.940 -5.363 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.806 -4.163 -9.675 1.00 0.00 H new ATOM 388 N PRO A 27 -11.939 -1.792 -8.237 1.00 0.00 N ATOM 389 CA PRO A 27 -12.388 -1.425 -6.888 1.00 0.00 C ATOM 390 C PRO A 27 -13.904 -1.478 -6.644 1.00 0.00 C ATOM 391 O PRO A 27 -14.702 -0.911 -7.389 1.00 0.00 O ATOM 392 CB PRO A 27 -11.889 0.007 -6.754 1.00 0.00 C ATOM 393 CG PRO A 27 -11.942 0.561 -8.139 1.00 0.00 C ATOM 394 CD PRO A 27 -11.751 -0.601 -9.086 1.00 0.00 C ATOM 0 HA PRO A 27 -12.004 -2.138 -6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.517 0.582 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.875 0.037 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.897 1.054 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.164 1.310 -8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.474 -0.574 -9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.760 -0.587 -9.539 1.00 0.00 H new ATOM 402 N GLU A 28 -14.259 -2.157 -5.551 1.00 0.00 N ATOM 403 CA GLU A 28 -15.675 -2.261 -5.168 1.00 0.00 C ATOM 404 C GLU A 28 -16.027 -1.178 -4.142 1.00 0.00 C ATOM 405 O GLU A 28 -15.523 -1.189 -3.019 1.00 0.00 O ATOM 406 CB GLU A 28 -15.987 -3.648 -4.606 1.00 0.00 C ATOM 407 CG GLU A 28 -16.980 -4.424 -5.454 1.00 0.00 C ATOM 408 CD GLU A 28 -17.672 -5.527 -4.679 1.00 0.00 C ATOM 409 OE1 GLU A 28 -16.975 -6.453 -4.215 1.00 0.00 O ATOM 410 OE2 GLU A 28 -18.912 -5.467 -4.541 1.00 0.00 O ATOM 0 H GLU A 28 -13.607 -2.633 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.283 -2.112 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -15.061 -4.218 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.384 -3.544 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.729 -3.738 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.461 -4.857 -6.310 1.00 0.00 H new ATOM 417 N VAL A 29 -16.842 -0.200 -4.561 1.00 0.00 N ATOM 418 CA VAL A 29 -17.161 0.919 -3.665 1.00 0.00 C ATOM 419 C VAL A 29 -18.608 1.077 -3.229 1.00 0.00 C ATOM 420 O VAL A 29 -19.436 1.488 -4.042 1.00 0.00 O ATOM 421 CB VAL A 29 -16.788 2.260 -4.269 1.00 0.00 C ATOM 422 CG1 VAL A 29 -16.757 3.356 -3.207 1.00 0.00 C ATOM 423 CG2 VAL A 29 -15.476 2.180 -5.021 1.00 0.00 C ATOM 0 H VAL A 29 -17.279 -0.159 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.569 0.646 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.562 2.524 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -16.487 4.305 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.741 3.445 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.021 3.103 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -15.237 3.157 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.683 1.876 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.562 1.450 -5.826 1.00 0.00 H new ATOM 433 N ASN A 30 -18.945 0.776 -2.009 1.00 0.00 N ATOM 434 CA ASN A 30 -20.333 0.932 -1.606 1.00 0.00 C ATOM 435 C ASN A 30 -20.600 2.342 -1.090 1.00 0.00 C ATOM 436 O ASN A 30 -19.716 3.100 -0.693 1.00 0.00 O ATOM 437 CB ASN A 30 -20.727 -0.125 -0.598 1.00 0.00 C ATOM 438 CG ASN A 30 -22.205 -0.451 -0.642 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.833 -0.397 -1.699 1.00 0.00 O ATOM 440 ND2 ASN A 30 -22.770 -0.789 0.509 1.00 0.00 N ATOM 0 H ASN A 30 -18.310 0.431 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.961 0.789 -2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.153 -1.032 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.464 0.217 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -23.764 -1.017 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.211 -0.821 1.362 1.00 0.00 H new ATOM 447 N GLN A 31 -21.905 2.555 -0.981 1.00 0.00 N ATOM 448 CA GLN A 31 -22.400 3.769 -0.356 1.00 0.00 C ATOM 449 C GLN A 31 -22.468 3.496 1.141 1.00 0.00 C ATOM 450 O GLN A 31 -22.843 4.363 1.929 1.00 0.00 O ATOM 451 CB GLN A 31 -23.764 4.176 -0.903 1.00 0.00 C ATOM 452 CG GLN A 31 -23.765 4.344 -2.406 1.00 0.00 C ATOM 453 CD GLN A 31 -22.740 5.363 -2.876 1.00 0.00 C ATOM 454 OE1 GLN A 31 -23.011 6.564 -2.904 1.00 0.00 O ATOM 455 NE2 GLN A 31 -21.552 4.889 -3.244 1.00 0.00 N ATOM 0 H GLN A 31 -22.627 1.914 -1.311 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.733 4.603 -0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.501 3.423 -0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.073 5.112 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.559 3.382 -2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.757 4.653 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.369 3.886 -3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.825 5.528 -3.564 1.00 0.00 H new ATOM 464 N THR A 32 -22.243 2.230 1.500 1.00 0.00 N ATOM 465 CA THR A 32 -22.416 1.742 2.852 1.00 0.00 C ATOM 466 C THR A 32 -21.263 0.899 3.349 1.00 0.00 C ATOM 467 O THR A 32 -21.328 0.356 4.455 1.00 0.00 O ATOM 468 CB THR A 32 -23.709 0.908 2.845 1.00 0.00 C ATOM 469 OG1 THR A 32 -24.830 1.667 3.260 1.00 0.00 O ATOM 470 CG2 THR A 32 -23.643 -0.382 3.643 1.00 0.00 C ATOM 0 H THR A 32 -21.932 1.513 0.844 1.00 0.00 H new ATOM 0 HA THR A 32 -22.462 2.592 3.532 1.00 0.00 H new ATOM 0 HB THR A 32 -23.826 0.618 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 32 -25.632 1.104 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.600 -0.899 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 32 -22.857 -1.020 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.424 -0.154 4.686 1.00 0.00 H new ATOM 478 N THR A 33 -20.196 0.804 2.596 1.00 0.00 N ATOM 479 CA THR A 33 -19.064 0.040 3.048 1.00 0.00 C ATOM 480 C THR A 33 -18.333 0.872 4.056 1.00 0.00 C ATOM 481 O THR A 33 -17.857 0.370 5.073 1.00 0.00 O ATOM 482 CB THR A 33 -18.110 -0.214 1.898 1.00 0.00 C ATOM 483 OG1 THR A 33 -17.796 1.002 1.247 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.611 -1.143 0.837 1.00 0.00 C ATOM 0 H THR A 33 -20.089 1.240 1.680 1.00 0.00 H new ATOM 0 HA THR A 33 -19.405 -0.909 3.461 1.00 0.00 H new ATOM 0 HB THR A 33 -17.250 -0.685 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.029 0.866 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.852 -1.255 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.826 -2.116 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.521 -0.735 0.396 1.00 0.00 H new ATOM 492 N LEU A 34 -18.094 2.108 3.649 1.00 0.00 N ATOM 493 CA LEU A 34 -17.237 3.019 4.377 1.00 0.00 C ATOM 494 C LEU A 34 -15.843 2.777 3.861 1.00 0.00 C ATOM 495 O LEU A 34 -14.985 3.635 3.997 1.00 0.00 O ATOM 496 CB LEU A 34 -17.322 2.870 5.892 1.00 0.00 C ATOM 497 CG LEU A 34 -18.381 3.759 6.526 1.00 0.00 C ATOM 498 CD1 LEU A 34 -17.767 4.650 7.595 1.00 0.00 C ATOM 499 CD2 LEU A 34 -19.084 4.590 5.450 1.00 0.00 C ATOM 0 H LEU A 34 -18.493 2.506 2.799 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.558 4.046 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.537 1.830 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.351 3.106 6.328 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.125 3.127 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.542 5.277 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.318 4.030 8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.001 5.282 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.840 5.223 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.353 5.215 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.561 3.925 4.730 1.00 0.00 H new ATOM 511 N TYR A 35 -15.650 1.589 3.274 1.00 0.00 N ATOM 512 CA TYR A 35 -14.371 1.169 2.683 1.00 0.00 C ATOM 513 C TYR A 35 -14.587 0.390 1.402 1.00 0.00 C ATOM 514 O TYR A 35 -15.680 -0.069 1.102 1.00 0.00 O ATOM 515 CB TYR A 35 -13.496 0.377 3.650 1.00 0.00 C ATOM 516 CG TYR A 35 -14.264 -0.474 4.602 1.00 0.00 C ATOM 517 CD1 TYR A 35 -14.948 0.107 5.650 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.298 -1.846 4.460 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.654 -0.656 6.541 1.00 0.00 C ATOM 520 CE2 TYR A 35 -15.004 -2.629 5.350 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.684 -2.028 6.394 1.00 0.00 C ATOM 522 OH TYR A 35 -16.389 -2.800 7.288 1.00 0.00 O ATOM 0 H TYR A 35 -16.384 0.885 3.195 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.832 2.087 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.819 -0.257 3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.877 1.072 4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -14.926 1.180 5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.766 -2.312 3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.185 -0.186 7.356 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -15.026 -3.702 5.233 1.00 0.00 H new ATOM 0 HH TYR A 35 -16.308 -3.745 7.040 1.00 0.00 H new ATOM 532 N GLN A 36 -13.529 0.284 0.634 1.00 0.00 N ATOM 533 CA GLN A 36 -13.584 -0.389 -0.641 1.00 0.00 C ATOM 534 C GLN A 36 -12.574 -1.514 -0.733 1.00 0.00 C ATOM 535 O GLN A 36 -11.914 -1.861 0.247 1.00 0.00 O ATOM 536 CB GLN A 36 -13.300 0.629 -1.723 1.00 0.00 C ATOM 537 CG GLN A 36 -14.319 1.735 -1.807 1.00 0.00 C ATOM 538 CD GLN A 36 -13.676 3.103 -1.921 1.00 0.00 C ATOM 539 OE1 GLN A 36 -13.589 3.670 -3.010 1.00 0.00 O ATOM 540 NE2 GLN A 36 -13.219 3.641 -0.797 1.00 0.00 N ATOM 0 H GLN A 36 -12.611 0.659 0.873 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.574 -0.829 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.318 1.067 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.253 0.118 -2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.964 1.567 -2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.955 1.708 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.312 3.136 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.775 4.559 -0.815 1.00 0.00 H new ATOM 549 N ARG A 37 -12.454 -2.072 -1.930 1.00 0.00 N ATOM 550 CA ARG A 37 -11.520 -3.151 -2.170 1.00 0.00 C ATOM 551 C ARG A 37 -10.926 -3.083 -3.573 1.00 0.00 C ATOM 552 O ARG A 37 -11.643 -2.983 -4.563 1.00 0.00 O ATOM 553 CB ARG A 37 -12.192 -4.502 -1.951 1.00 0.00 C ATOM 554 CG ARG A 37 -11.325 -5.456 -1.158 1.00 0.00 C ATOM 555 CD ARG A 37 -11.962 -6.831 -1.026 1.00 0.00 C ATOM 556 NE ARG A 37 -11.565 -7.730 -2.107 1.00 0.00 N ATOM 557 CZ ARG A 37 -12.386 -8.154 -3.066 1.00 0.00 C ATOM 558 NH1 ARG A 37 -13.650 -7.752 -3.100 1.00 0.00 N ATOM 559 NH2 ARG A 37 -11.938 -8.984 -3.997 1.00 0.00 N ATOM 0 H ARG A 37 -12.995 -1.791 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.705 -3.039 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.137 -4.354 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.429 -4.948 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.354 -5.552 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.146 -5.043 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.680 -7.270 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.047 -6.728 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.598 -8.053 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.001 -7.112 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.271 -8.083 -3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.967 -9.296 -3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.564 -9.311 -4.733 1.00 0.00 H new ATOM 573 N TYR A 38 -9.611 -3.202 -3.625 1.00 0.00 N ATOM 574 CA TYR A 38 -8.867 -3.220 -4.884 1.00 0.00 C ATOM 575 C TYR A 38 -8.122 -4.550 -4.965 1.00 0.00 C ATOM 576 O TYR A 38 -7.670 -5.052 -3.936 1.00 0.00 O ATOM 577 CB TYR A 38 -7.826 -2.071 -4.943 1.00 0.00 C ATOM 578 CG TYR A 38 -8.225 -0.820 -5.719 1.00 0.00 C ATOM 579 CD1 TYR A 38 -8.635 -0.892 -7.043 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.151 0.450 -5.131 1.00 0.00 C ATOM 581 CE1 TYR A 38 -8.963 0.250 -7.754 1.00 0.00 C ATOM 582 CE2 TYR A 38 -8.482 1.587 -5.834 1.00 0.00 C ATOM 583 CZ TYR A 38 -8.889 1.484 -7.143 1.00 0.00 C ATOM 584 OH TYR A 38 -9.215 2.619 -7.849 1.00 0.00 O ATOM 0 H TYR A 38 -9.022 -3.289 -2.797 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.566 -3.093 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.588 -1.775 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.910 -2.465 -5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.699 -1.855 -7.527 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.827 0.539 -4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.276 0.174 -8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.422 2.555 -5.359 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.111 3.404 -7.272 1.00 0.00 H new ATOM 594 N GLU A 39 -7.958 -5.125 -6.152 1.00 0.00 N ATOM 595 CA GLU A 39 -7.238 -6.380 -6.301 1.00 0.00 C ATOM 596 C GLU A 39 -5.873 -6.053 -6.842 1.00 0.00 C ATOM 597 O GLU A 39 -5.750 -5.190 -7.712 1.00 0.00 O ATOM 598 CB GLU A 39 -7.973 -7.341 -7.239 1.00 0.00 C ATOM 599 CG GLU A 39 -9.432 -7.580 -6.873 1.00 0.00 C ATOM 600 CD GLU A 39 -10.335 -6.425 -7.255 1.00 0.00 C ATOM 601 OE1 GLU A 39 -10.742 -6.356 -8.433 1.00 0.00 O ATOM 602 OE2 GLU A 39 -10.643 -5.597 -6.373 1.00 0.00 O ATOM 0 H GLU A 39 -8.316 -4.739 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.163 -6.882 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.925 -6.947 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.450 -8.297 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.781 -8.486 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.508 -7.754 -5.800 1.00 0.00 H new ATOM 609 N ILE A 40 -4.835 -6.674 -6.311 1.00 0.00 N ATOM 610 CA ILE A 40 -3.509 -6.320 -6.767 1.00 0.00 C ATOM 611 C ILE A 40 -2.511 -7.462 -6.826 1.00 0.00 C ATOM 612 O ILE A 40 -2.431 -8.298 -5.925 1.00 0.00 O ATOM 613 CB ILE A 40 -2.901 -5.274 -5.813 1.00 0.00 C ATOM 614 CG1 ILE A 40 -3.211 -5.640 -4.358 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.409 -3.880 -6.139 1.00 0.00 C ATOM 616 CD1 ILE A 40 -2.098 -5.287 -3.395 1.00 0.00 C ATOM 0 H ILE A 40 -4.880 -7.397 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.663 -5.959 -7.784 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.819 -5.274 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.123 -5.129 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.409 -6.710 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.965 -3.161 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.133 -3.622 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.494 -3.855 -6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.387 -5.574 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.190 -5.819 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.915 -4.213 -3.429 1.00 0.00 H new ATOM 628 N LYS A 41 -1.742 -7.466 -7.906 1.00 0.00 N ATOM 629 CA LYS A 41 -0.730 -8.477 -8.100 1.00 0.00 C ATOM 630 C LYS A 41 0.421 -8.155 -7.163 1.00 0.00 C ATOM 631 O LYS A 41 1.394 -7.502 -7.546 1.00 0.00 O ATOM 632 CB LYS A 41 -0.214 -8.470 -9.542 1.00 0.00 C ATOM 633 CG LYS A 41 0.145 -9.851 -10.074 1.00 0.00 C ATOM 634 CD LYS A 41 1.535 -10.279 -9.621 1.00 0.00 C ATOM 635 CE LYS A 41 1.852 -11.705 -10.047 1.00 0.00 C ATOM 636 NZ LYS A 41 3.277 -12.061 -9.788 1.00 0.00 N ATOM 0 H LYS A 41 -1.805 -6.778 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.152 -9.461 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.973 -8.029 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.666 -7.829 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.591 -10.578 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.102 -9.845 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.279 -9.601 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.605 -10.199 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.202 -12.397 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.636 -11.823 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.451 -13.040 -10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.898 -11.418 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.477 -11.974 -8.771 1.00 0.00 H new ATOM 650 N MET A 42 0.289 -8.603 -5.914 1.00 0.00 N ATOM 651 CA MET A 42 1.306 -8.350 -4.905 1.00 0.00 C ATOM 652 C MET A 42 2.631 -8.901 -5.371 1.00 0.00 C ATOM 653 O MET A 42 2.707 -10.052 -5.802 1.00 0.00 O ATOM 654 CB MET A 42 0.908 -8.980 -3.570 1.00 0.00 C ATOM 655 CG MET A 42 1.913 -8.732 -2.454 1.00 0.00 C ATOM 656 SD MET A 42 3.131 -10.053 -2.297 1.00 0.00 S ATOM 657 CE MET A 42 2.073 -11.498 -2.256 1.00 0.00 C ATOM 0 H MET A 42 -0.511 -9.141 -5.582 1.00 0.00 H new ATOM 0 HA MET A 42 1.398 -7.274 -4.759 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.062 -8.587 -3.267 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.788 -10.055 -3.707 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.429 -7.790 -2.640 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.380 -8.623 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.538 -12.272 -1.646 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.107 -11.230 -1.827 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.929 -11.872 -3.270 1.00 0.00 H new ATOM 667 N THR A 43 3.682 -8.095 -5.302 1.00 0.00 N ATOM 668 CA THR A 43 4.973 -8.560 -5.744 1.00 0.00 C ATOM 669 C THR A 43 5.745 -9.199 -4.596 1.00 0.00 C ATOM 670 O THR A 43 5.979 -10.408 -4.592 1.00 0.00 O ATOM 671 CB THR A 43 5.789 -7.442 -6.384 1.00 0.00 C ATOM 672 OG1 THR A 43 4.939 -6.485 -6.996 1.00 0.00 O ATOM 673 CG2 THR A 43 6.749 -7.957 -7.439 1.00 0.00 C ATOM 0 H THR A 43 3.661 -7.138 -4.951 1.00 0.00 H new ATOM 0 HA THR A 43 4.799 -9.319 -6.507 1.00 0.00 H new ATOM 0 HB THR A 43 6.362 -6.987 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.331 -6.196 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.306 -7.121 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.444 -8.663 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.188 -8.458 -8.228 1.00 0.00 H new ATOM 681 N LYS A 44 6.117 -8.383 -3.598 1.00 0.00 N ATOM 682 CA LYS A 44 6.834 -8.835 -2.415 1.00 0.00 C ATOM 683 C LYS A 44 6.523 -7.883 -1.251 1.00 0.00 C ATOM 684 O LYS A 44 6.343 -6.684 -1.456 1.00 0.00 O ATOM 685 CB LYS A 44 8.342 -8.875 -2.671 1.00 0.00 C ATOM 686 CG LYS A 44 8.740 -9.752 -3.846 1.00 0.00 C ATOM 687 CD LYS A 44 10.251 -9.800 -4.017 1.00 0.00 C ATOM 688 CE LYS A 44 10.655 -9.587 -5.467 1.00 0.00 C ATOM 689 NZ LYS A 44 11.971 -10.211 -5.776 1.00 0.00 N ATOM 0 H LYS A 44 5.922 -7.382 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 44 6.510 -9.846 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.698 -7.860 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.844 -9.236 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.357 -10.761 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.281 -9.371 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.713 -9.035 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.627 -10.763 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.892 -10.007 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.702 -8.518 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.209 -10.043 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.705 -9.792 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.920 -11.235 -5.600 1.00 0.00 H new ATOM 703 N MET A 45 6.448 -8.423 -0.041 1.00 0.00 N ATOM 704 CA MET A 45 6.143 -7.626 1.152 1.00 0.00 C ATOM 705 C MET A 45 7.409 -7.108 1.811 1.00 0.00 C ATOM 706 O MET A 45 8.403 -7.828 1.888 1.00 0.00 O ATOM 707 CB MET A 45 5.366 -8.462 2.170 1.00 0.00 C ATOM 708 CG MET A 45 6.087 -9.743 2.567 1.00 0.00 C ATOM 709 SD MET A 45 5.766 -11.106 1.429 1.00 0.00 S ATOM 710 CE MET A 45 7.412 -11.426 0.779 1.00 0.00 C ATOM 0 H MET A 45 6.594 -9.415 0.146 1.00 0.00 H new ATOM 0 HA MET A 45 5.539 -6.778 0.828 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.186 -7.862 3.062 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.391 -8.715 1.754 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.160 -9.554 2.607 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.777 -10.033 3.571 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.345 -11.654 -0.285 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.038 -10.545 0.923 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.852 -12.273 1.305 1.00 0.00 H new ATOM 720 N TYR A 46 7.395 -5.858 2.292 1.00 0.00 N ATOM 721 CA TYR A 46 8.540 -5.245 2.941 1.00 0.00 C ATOM 722 C TYR A 46 8.236 -4.883 4.398 1.00 0.00 C ATOM 723 O TYR A 46 9.030 -4.186 5.028 1.00 0.00 O ATOM 724 CB TYR A 46 8.934 -3.957 2.209 1.00 0.00 C ATOM 725 CG TYR A 46 9.508 -4.158 0.824 1.00 0.00 C ATOM 726 CD1 TYR A 46 8.840 -4.913 -0.132 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.718 -3.575 0.471 1.00 0.00 C ATOM 728 CE1 TYR A 46 9.366 -5.087 -1.398 1.00 0.00 C ATOM 729 CE2 TYR A 46 11.249 -3.741 -0.793 1.00 0.00 C ATOM 730 CZ TYR A 46 10.569 -4.499 -1.724 1.00 0.00 C ATOM 731 OH TYR A 46 11.095 -4.667 -2.985 1.00 0.00 O ATOM 0 H TYR A 46 6.580 -5.248 2.237 1.00 0.00 H new ATOM 0 HA TYR A 46 9.351 -5.972 2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.055 -3.317 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.665 -3.422 2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.895 -5.371 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.253 -2.981 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.837 -5.681 -2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.191 -3.280 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 46 11.495 -3.825 -3.287 1.00 0.00 H new ATOM 741 N LYS A 47 7.128 -5.385 4.965 1.00 0.00 N ATOM 742 CA LYS A 47 6.778 -5.141 6.367 1.00 0.00 C ATOM 743 C LYS A 47 5.371 -5.644 6.693 1.00 0.00 C ATOM 744 O LYS A 47 4.402 -5.242 6.049 1.00 0.00 O ATOM 745 CB LYS A 47 6.894 -3.666 6.742 1.00 0.00 C ATOM 746 CG LYS A 47 7.583 -3.468 8.083 1.00 0.00 C ATOM 747 CD LYS A 47 7.631 -2.006 8.486 1.00 0.00 C ATOM 748 CE LYS A 47 6.555 -1.682 9.508 1.00 0.00 C ATOM 749 NZ LYS A 47 7.043 -0.725 10.536 1.00 0.00 N ATOM 0 H LYS A 47 6.456 -5.967 4.466 1.00 0.00 H new ATOM 0 HA LYS A 47 7.499 -5.702 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.451 -3.138 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.899 -3.222 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.057 -4.038 8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.597 -3.864 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.612 -1.772 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.500 -1.379 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.687 -1.260 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.226 -2.601 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.267 -0.093 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.381 -1.251 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.823 -0.161 10.143 1.00 0.00 H new ATOM 763 N GLY A 48 5.254 -6.521 7.683 1.00 0.00 N ATOM 764 CA GLY A 48 3.966 -7.072 8.080 1.00 0.00 C ATOM 765 C GLY A 48 4.035 -8.564 8.283 1.00 0.00 C ATOM 766 O GLY A 48 3.038 -9.190 8.622 1.00 0.00 O ATOM 0 H GLY A 48 6.043 -6.867 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.635 -6.594 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.222 -6.843 7.317 1.00 0.00 H new ATOM 770 N PHE A 49 5.216 -9.144 8.080 1.00 0.00 N ATOM 771 CA PHE A 49 5.383 -10.575 8.244 1.00 0.00 C ATOM 772 C PHE A 49 4.808 -11.058 9.566 1.00 0.00 C ATOM 773 O PHE A 49 4.214 -12.136 9.607 1.00 0.00 O ATOM 774 CB PHE A 49 6.837 -10.983 8.137 1.00 0.00 C ATOM 775 CG PHE A 49 7.328 -11.109 6.723 1.00 0.00 C ATOM 776 CD1 PHE A 49 7.179 -12.303 6.034 1.00 0.00 C ATOM 777 CD2 PHE A 49 7.941 -10.043 6.085 1.00 0.00 C ATOM 778 CE1 PHE A 49 7.632 -12.429 4.736 1.00 0.00 C ATOM 779 CE2 PHE A 49 8.397 -10.165 4.785 1.00 0.00 C ATOM 780 CZ PHE A 49 8.242 -11.360 4.112 1.00 0.00 C ATOM 0 H PHE A 49 6.062 -8.645 7.804 1.00 0.00 H new ATOM 0 HA PHE A 49 4.830 -11.048 7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.450 -10.250 8.661 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.976 -11.937 8.646 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.704 -13.143 6.518 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.064 -9.106 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.509 -13.364 4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.873 -9.327 4.298 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.598 -11.458 3.097 1.00 0.00 H new ATOM 790 N GLN A 50 4.975 -10.304 10.665 1.00 0.00 N ATOM 791 CA GLN A 50 4.455 -10.735 11.955 1.00 0.00 C ATOM 792 C GLN A 50 2.948 -10.868 11.875 1.00 0.00 C ATOM 793 O GLN A 50 2.364 -11.787 12.448 1.00 0.00 O ATOM 794 CB GLN A 50 4.881 -9.764 13.060 1.00 0.00 C ATOM 795 CG GLN A 50 4.225 -8.397 12.981 1.00 0.00 C ATOM 796 CD GLN A 50 3.416 -8.072 14.221 1.00 0.00 C ATOM 797 OE1 GLN A 50 2.262 -7.653 14.134 1.00 0.00 O ATOM 798 NE2 GLN A 50 4.022 -8.268 15.387 1.00 0.00 N ATOM 0 H GLN A 50 5.460 -9.407 10.678 1.00 0.00 H new ATOM 0 HA GLN A 50 4.871 -11.710 12.207 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.649 -10.209 14.027 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.963 -9.637 13.018 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.993 -7.636 12.842 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.576 -8.359 12.106 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.980 -8.617 15.411 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.529 -8.070 16.258 1.00 0.00 H new ATOM 807 N ALA A 51 2.334 -9.997 11.086 1.00 0.00 N ATOM 808 CA ALA A 51 0.911 -10.075 10.846 1.00 0.00 C ATOM 809 C ALA A 51 0.747 -11.197 9.850 1.00 0.00 C ATOM 810 O ALA A 51 -0.099 -12.075 10.023 1.00 0.00 O ATOM 811 CB ALA A 51 0.409 -8.775 10.258 1.00 0.00 C ATOM 0 H ALA A 51 2.804 -9.231 10.604 1.00 0.00 H new ATOM 0 HA ALA A 51 0.347 -10.251 11.762 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.664 -8.846 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.609 -7.960 10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.920 -8.581 9.315 1.00 0.00 H new ATOM 875 N ASP A 57 -0.051 -12.963 2.038 1.00 0.00 N ATOM 876 CA ASP A 57 -1.217 -12.556 2.808 1.00 0.00 C ATOM 877 C ASP A 57 -1.634 -11.113 2.508 1.00 0.00 C ATOM 878 O ASP A 57 -2.300 -10.475 3.323 1.00 0.00 O ATOM 879 CB ASP A 57 -0.947 -12.742 4.302 1.00 0.00 C ATOM 880 CG ASP A 57 -2.216 -12.991 5.096 1.00 0.00 C ATOM 881 OD1 ASP A 57 -3.150 -12.168 4.997 1.00 0.00 O ATOM 882 OD2 ASP A 57 -2.274 -14.009 5.816 1.00 0.00 O ATOM 0 HA ASP A 57 -2.049 -13.194 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.264 -13.580 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.447 -11.855 4.691 1.00 0.00 H new ATOM 887 N ILE A 58 -1.263 -10.601 1.328 1.00 0.00 N ATOM 888 CA ILE A 58 -1.641 -9.234 0.945 1.00 0.00 C ATOM 889 C ILE A 58 -1.990 -9.147 -0.529 1.00 0.00 C ATOM 890 O ILE A 58 -1.138 -8.782 -1.342 1.00 0.00 O ATOM 891 CB ILE A 58 -0.486 -8.236 1.166 1.00 0.00 C ATOM 892 CG1 ILE A 58 0.307 -8.564 2.429 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.022 -6.811 1.199 1.00 0.00 C ATOM 894 CD1 ILE A 58 1.766 -8.861 2.154 1.00 0.00 C ATOM 0 H ILE A 58 -0.711 -11.102 0.632 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.498 -8.984 1.571 1.00 0.00 H new ATOM 0 HB ILE A 58 0.205 -8.324 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.237 -7.726 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.146 -9.424 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.197 -6.116 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.513 -6.585 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.740 -6.711 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.274 -9.086 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.843 -9.718 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.232 -7.993 1.688 1.00 0.00 H new ATOM 906 N ARG A 59 -3.199 -9.535 -0.910 1.00 0.00 N ATOM 907 CA ARG A 59 -3.539 -9.537 -2.318 1.00 0.00 C ATOM 908 C ARG A 59 -4.620 -8.542 -2.741 1.00 0.00 C ATOM 909 O ARG A 59 -4.912 -8.353 -3.920 1.00 0.00 O ATOM 910 CB ARG A 59 -3.961 -10.946 -2.723 1.00 0.00 C ATOM 911 CG ARG A 59 -3.058 -12.029 -2.157 1.00 0.00 C ATOM 912 CD ARG A 59 -3.482 -13.410 -2.623 1.00 0.00 C ATOM 913 NE ARG A 59 -3.764 -14.304 -1.501 1.00 0.00 N ATOM 914 CZ ARG A 59 -3.166 -15.481 -1.312 1.00 0.00 C ATOM 915 NH1 ARG A 59 -2.250 -15.922 -2.166 1.00 0.00 N ATOM 916 NH2 ARG A 59 -3.487 -16.223 -0.261 1.00 0.00 N ATOM 0 H ARG A 59 -3.940 -9.844 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.637 -9.210 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.983 -11.122 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.966 -11.018 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.029 -11.841 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.080 -11.989 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.369 -13.324 -3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.695 -13.841 -3.241 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.463 -14.009 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.996 -15.359 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.800 -16.824 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.190 -15.893 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.031 -17.124 -0.114 1.00 0.00 H new ATOM 930 N PHE A 60 -5.190 -7.902 -1.705 1.00 0.00 N ATOM 931 CA PHE A 60 -6.230 -6.907 -1.861 1.00 0.00 C ATOM 932 C PHE A 60 -6.052 -5.843 -0.812 1.00 0.00 C ATOM 933 O PHE A 60 -5.589 -6.097 0.301 1.00 0.00 O ATOM 934 CB PHE A 60 -7.624 -7.534 -1.753 1.00 0.00 C ATOM 935 CG PHE A 60 -7.818 -8.749 -2.614 1.00 0.00 C ATOM 936 CD1 PHE A 60 -8.262 -8.618 -3.914 1.00 0.00 C ATOM 937 CD2 PHE A 60 -7.565 -10.020 -2.119 1.00 0.00 C ATOM 938 CE1 PHE A 60 -8.450 -9.728 -4.715 1.00 0.00 C ATOM 939 CE2 PHE A 60 -7.753 -11.136 -2.914 1.00 0.00 C ATOM 940 CZ PHE A 60 -8.196 -10.990 -4.214 1.00 0.00 C ATOM 0 H PHE A 60 -4.930 -8.072 -0.734 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.147 -6.465 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.809 -7.805 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.369 -6.786 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.465 -7.634 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.218 -10.139 -1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.795 -9.609 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.554 -12.121 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.343 -11.860 -4.837 1.00 0.00 H new ATOM 950 N VAL A 61 -6.355 -4.638 -1.222 1.00 0.00 N ATOM 951 CA VAL A 61 -6.165 -3.476 -0.383 1.00 0.00 C ATOM 952 C VAL A 61 -7.502 -2.860 0.061 1.00 0.00 C ATOM 953 O VAL A 61 -8.359 -2.539 -0.764 1.00 0.00 O ATOM 954 CB VAL A 61 -5.330 -2.443 -1.166 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.316 -3.132 -2.055 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.196 -1.488 -1.974 1.00 0.00 C ATOM 0 H VAL A 61 -6.740 -4.432 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.643 -3.779 0.525 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.797 -1.842 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.739 -2.383 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.645 -3.734 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.834 -3.776 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.559 -0.781 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.789 -2.054 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.861 -0.944 -1.303 1.00 0.00 H new ATOM 966 N TYR A 62 -7.699 -2.768 1.374 1.00 0.00 N ATOM 967 CA TYR A 62 -8.947 -2.268 1.921 1.00 0.00 C ATOM 968 C TYR A 62 -8.837 -0.870 2.532 1.00 0.00 C ATOM 969 O TYR A 62 -8.261 -0.663 3.602 1.00 0.00 O ATOM 970 CB TYR A 62 -9.489 -3.242 2.967 1.00 0.00 C ATOM 971 CG TYR A 62 -9.628 -4.672 2.478 1.00 0.00 C ATOM 972 CD1 TYR A 62 -8.543 -5.376 1.951 1.00 0.00 C ATOM 973 CD2 TYR A 62 -10.850 -5.324 2.560 1.00 0.00 C ATOM 974 CE1 TYR A 62 -8.683 -6.679 1.524 1.00 0.00 C ATOM 975 CE2 TYR A 62 -10.994 -6.628 2.132 1.00 0.00 C ATOM 976 CZ TYR A 62 -9.908 -7.301 1.615 1.00 0.00 C ATOM 977 OH TYR A 62 -10.048 -8.602 1.188 1.00 0.00 O ATOM 0 H TYR A 62 -7.007 -3.034 2.075 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.634 -2.187 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.829 -3.230 3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.464 -2.889 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.580 -4.892 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.704 -4.802 2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -7.834 -7.210 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.953 -7.119 2.202 1.00 0.00 H new ATOM 0 HH TYR A 62 -10.974 -8.892 1.322 1.00 0.00 H new ATOM 987 N THR A 63 -9.398 0.090 1.826 1.00 0.00 N ATOM 988 CA THR A 63 -9.410 1.491 2.255 1.00 0.00 C ATOM 989 C THR A 63 -10.852 1.994 2.408 1.00 0.00 C ATOM 990 O THR A 63 -11.751 1.517 1.723 1.00 0.00 O ATOM 991 CB THR A 63 -8.698 2.359 1.234 1.00 0.00 C ATOM 992 OG1 THR A 63 -8.863 3.721 1.564 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.208 2.141 -0.175 1.00 0.00 C ATOM 0 H THR A 63 -9.863 -0.071 0.933 1.00 0.00 H new ATOM 0 HA THR A 63 -8.898 1.554 3.215 1.00 0.00 H new ATOM 0 HB THR A 63 -7.646 2.075 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.039 4.210 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.663 2.787 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.057 1.100 -0.459 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.271 2.379 -0.218 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.104 2.959 3.317 1.00 0.00 N ATOM 1002 CA PRO A 64 -12.455 3.501 3.551 1.00 0.00 C ATOM 1003 C PRO A 64 -13.083 4.204 2.327 1.00 0.00 C ATOM 1004 O PRO A 64 -12.408 4.865 1.539 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.262 4.504 4.693 1.00 0.00 C ATOM 1006 CG PRO A 64 -10.956 4.140 5.314 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.110 3.584 4.204 1.00 0.00 C ATOM 0 HA PRO A 64 -13.149 2.691 3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.249 5.528 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.074 4.438 5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.483 5.012 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.092 3.404 6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.548 4.366 3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.385 2.859 4.573 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.402 4.019 2.211 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.244 4.563 1.161 1.00 0.00 C ATOM 1017 C ALA A 65 -16.266 5.580 1.681 1.00 0.00 C ATOM 1018 O ALA A 65 -17.466 5.430 1.451 1.00 0.00 O ATOM 1019 CB ALA A 65 -15.973 3.437 0.459 1.00 0.00 C ATOM 0 H ALA A 65 -14.928 3.459 2.882 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.587 5.089 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.604 3.848 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.248 2.751 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.592 2.901 1.178 1.00 0.00 H new ATOM 1025 N MET A 66 -15.796 6.621 2.360 1.00 0.00 N ATOM 1026 CA MET A 66 -16.693 7.654 2.875 1.00 0.00 C ATOM 1027 C MET A 66 -16.707 8.869 1.942 1.00 0.00 C ATOM 1028 O MET A 66 -15.917 8.948 1.003 1.00 0.00 O ATOM 1029 CB MET A 66 -16.297 8.070 4.296 1.00 0.00 C ATOM 1030 CG MET A 66 -15.810 6.914 5.154 1.00 0.00 C ATOM 1031 SD MET A 66 -15.514 7.396 6.866 1.00 0.00 S ATOM 1032 CE MET A 66 -13.884 6.703 7.127 1.00 0.00 C ATOM 0 H MET A 66 -14.809 6.773 2.566 1.00 0.00 H new ATOM 0 HA MET A 66 -17.699 7.237 2.915 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.513 8.825 4.240 1.00 0.00 H new ATOM 0 HB3 MET A 66 -17.154 8.536 4.782 1.00 0.00 H new ATOM 0 HG2 MET A 66 -16.548 6.112 5.129 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.890 6.514 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.454 7.118 8.038 1.00 0.00 H new ATOM 0 HE2 MET A 66 -13.960 5.620 7.223 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.244 6.948 6.279 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.627 9.797 2.186 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.759 10.987 1.344 1.00 0.00 C ATOM 1044 C GLU A 67 -16.464 11.804 1.269 1.00 0.00 C ATOM 1045 O GLU A 67 -15.910 11.991 0.186 1.00 0.00 O ATOM 1046 CB GLU A 67 -18.917 11.872 1.825 1.00 0.00 C ATOM 1047 CG GLU A 67 -18.911 12.168 3.319 1.00 0.00 C ATOM 1048 CD GLU A 67 -19.662 11.128 4.126 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -20.859 10.911 3.847 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -19.051 10.531 5.037 1.00 0.00 O ATOM 0 H GLU A 67 -18.292 9.751 2.958 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.975 10.631 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.886 12.816 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.859 11.387 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.881 12.220 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.357 13.148 3.493 1.00 0.00 H new ATOM 1057 N SER A 68 -15.987 12.297 2.410 1.00 0.00 N ATOM 1058 CA SER A 68 -14.766 13.097 2.442 1.00 0.00 C ATOM 1059 C SER A 68 -13.580 12.258 2.895 1.00 0.00 C ATOM 1060 O SER A 68 -12.746 12.713 3.679 1.00 0.00 O ATOM 1061 CB SER A 68 -14.941 14.300 3.373 1.00 0.00 C ATOM 1062 OG SER A 68 -15.418 13.896 4.645 1.00 0.00 O ATOM 0 H SER A 68 -16.425 12.157 3.320 1.00 0.00 H new ATOM 0 HA SER A 68 -14.570 13.456 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.989 14.818 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.639 15.010 2.928 1.00 0.00 H new ATOM 0 HG SER A 68 -15.520 14.682 5.221 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.513 11.029 2.402 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.434 10.125 2.763 1.00 0.00 C ATOM 1070 C VAL A 69 -11.330 10.123 1.711 1.00 0.00 C ATOM 1071 O VAL A 69 -11.426 10.796 0.686 1.00 0.00 O ATOM 1072 CB VAL A 69 -12.957 8.684 2.962 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -13.071 7.933 1.635 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.075 7.924 3.940 1.00 0.00 C ATOM 0 H VAL A 69 -14.194 10.637 1.751 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.019 10.487 3.704 1.00 0.00 H new ATOM 0 HB VAL A 69 -13.960 8.754 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.442 6.925 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.762 8.460 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.090 7.879 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.460 6.912 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.057 7.879 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.075 8.435 4.903 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.298 9.336 1.970 1.00 0.00 N ATOM 1085 CA CYS A 70 -9.178 9.202 1.052 1.00 0.00 C ATOM 1086 C CYS A 70 -9.399 7.997 0.164 1.00 0.00 C ATOM 1087 O CYS A 70 -9.348 8.103 -1.062 1.00 0.00 O ATOM 1088 CB CYS A 70 -7.844 9.085 1.812 1.00 0.00 C ATOM 1089 SG CYS A 70 -7.990 8.860 3.624 1.00 0.00 S ATOM 0 H CYS A 70 -10.213 8.775 2.818 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.121 10.098 0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.284 8.244 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.256 9.983 1.620 1.00 0.00 H new ATOM 0 HG CYS A 70 -6.803 8.773 4.147 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.639 6.849 0.777 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.858 5.661 0.005 1.00 0.00 C ATOM 1096 C GLY A 71 -8.588 5.230 -0.668 1.00 0.00 C ATOM 1097 O GLY A 71 -7.637 4.813 -0.012 1.00 0.00 O ATOM 0 H GLY A 71 -9.684 6.726 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.223 4.863 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.629 5.844 -0.743 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.549 5.353 -1.975 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.347 4.996 -2.702 1.00 0.00 C ATOM 1103 C TYR A 72 -7.370 5.481 -4.131 1.00 0.00 C ATOM 1104 O TYR A 72 -7.714 4.734 -5.047 1.00 0.00 O ATOM 1105 CB TYR A 72 -7.150 3.486 -2.671 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.756 3.053 -3.052 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -4.782 3.985 -3.402 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.412 1.712 -3.054 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -3.511 3.588 -3.744 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -4.139 1.307 -3.394 1.00 0.00 C ATOM 1111 CZ TYR A 72 -3.192 2.251 -3.740 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.922 1.857 -4.080 1.00 0.00 O ATOM 0 H TYR A 72 -9.320 5.691 -2.551 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.512 5.491 -2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.375 3.119 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.865 3.020 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.029 5.036 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.152 0.972 -2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.767 4.323 -4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.884 0.258 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.950 1.352 -4.919 1.00 0.00 H new ATOM 1122 N PHE A 73 -7.013 6.735 -4.322 1.00 0.00 N ATOM 1123 CA PHE A 73 -7.009 7.299 -5.652 1.00 0.00 C ATOM 1124 C PHE A 73 -5.890 6.704 -6.500 1.00 0.00 C ATOM 1125 O PHE A 73 -4.813 7.278 -6.650 1.00 0.00 O ATOM 1126 CB PHE A 73 -6.930 8.819 -5.600 1.00 0.00 C ATOM 1127 CG PHE A 73 -8.291 9.459 -5.584 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -8.956 9.738 -6.768 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -8.914 9.764 -4.384 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -10.216 10.309 -6.755 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -10.172 10.337 -4.365 1.00 0.00 C ATOM 1132 CZ PHE A 73 -10.824 10.609 -5.551 1.00 0.00 C ATOM 0 H PHE A 73 -6.725 7.375 -3.581 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.952 7.037 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.378 9.122 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.370 9.182 -6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.485 9.507 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.411 9.551 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.724 10.520 -7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.644 10.572 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.807 11.055 -5.538 1.00 0.00 H new ATOM 1142 N HIS A 74 -6.187 5.528 -7.030 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.195 4.840 -7.847 1.00 0.00 C ATOM 1144 C HIS A 74 -5.345 5.205 -9.323 1.00 0.00 C ATOM 1145 O HIS A 74 -6.347 4.880 -9.961 1.00 0.00 O ATOM 1146 CB HIS A 74 -5.265 3.333 -7.623 1.00 0.00 C ATOM 1147 CG HIS A 74 -4.337 2.555 -8.505 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -3.042 2.778 -8.835 1.00 0.00 N flip ATOM 1149 CD2 HIS A 74 -4.701 1.396 -9.153 1.00 0.00 C flip ATOM 1150 CE1 HIS A 74 -2.653 1.757 -9.666 1.00 0.00 C flip ATOM 1151 NE2 HIS A 74 -3.672 0.938 -9.844 1.00 0.00 N flip ATOM 0 H HIS A 74 -7.076 5.041 -6.916 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.205 5.173 -7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.030 3.117 -6.581 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.287 2.995 -7.796 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.464 3.559 -8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.676 0.933 -9.104 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.672 1.643 -10.103 1.00 0.00 H new ATOM 1160 N ARG A 75 -4.339 5.910 -9.843 1.00 0.00 N ATOM 1161 CA ARG A 75 -4.340 6.360 -11.232 1.00 0.00 C ATOM 1162 C ARG A 75 -3.443 5.492 -12.105 1.00 0.00 C ATOM 1163 O ARG A 75 -2.476 5.983 -12.690 1.00 0.00 O ATOM 1164 CB ARG A 75 -3.871 7.818 -11.317 1.00 0.00 C ATOM 1165 CG ARG A 75 -4.905 8.830 -10.852 1.00 0.00 C ATOM 1166 CD ARG A 75 -5.387 8.528 -9.445 1.00 0.00 C ATOM 1167 NE ARG A 75 -5.203 9.664 -8.545 1.00 0.00 N ATOM 1168 CZ ARG A 75 -4.053 9.949 -7.935 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -2.980 9.194 -8.138 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -3.974 10.993 -7.121 1.00 0.00 N ATOM 0 H ARG A 75 -3.509 6.182 -9.317 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.362 6.277 -11.601 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.969 7.934 -10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.598 8.041 -12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.475 9.831 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.753 8.826 -11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.442 8.257 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.847 7.666 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.002 10.275 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.033 8.390 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.103 9.418 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.794 11.578 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.093 11.210 -6.654 1.00 0.00 H new ATOM 1184 N SER A 76 -3.760 4.207 -12.205 1.00 0.00 N ATOM 1185 CA SER A 76 -2.962 3.311 -13.028 1.00 0.00 C ATOM 1186 C SER A 76 -3.720 2.034 -13.395 1.00 0.00 C ATOM 1187 O SER A 76 -4.214 1.318 -12.523 1.00 0.00 O ATOM 1188 CB SER A 76 -1.648 2.957 -12.324 1.00 0.00 C ATOM 1189 OG SER A 76 -0.594 3.796 -12.763 1.00 0.00 O ATOM 0 H SER A 76 -4.551 3.768 -11.734 1.00 0.00 H new ATOM 0 HA SER A 76 -2.742 3.842 -13.954 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.771 3.056 -11.246 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.395 1.915 -12.522 1.00 0.00 H new ATOM 0 HG SER A 76 -0.920 4.717 -12.840 1.00 0.00 H new ATOM 1195 N HIS A 77 -3.788 1.750 -14.696 1.00 0.00 N ATOM 1196 CA HIS A 77 -4.460 0.550 -15.200 1.00 0.00 C ATOM 1197 C HIS A 77 -3.431 -0.499 -15.643 1.00 0.00 C ATOM 1198 O HIS A 77 -3.780 -1.555 -16.170 1.00 0.00 O ATOM 1199 CB HIS A 77 -5.372 0.916 -16.373 1.00 0.00 C ATOM 1200 CG HIS A 77 -4.708 1.781 -17.401 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -4.875 3.148 -17.457 1.00 0.00 N ATOM 1202 CD2 HIS A 77 -3.869 1.464 -18.415 1.00 0.00 C ATOM 1203 CE1 HIS A 77 -4.169 3.636 -18.463 1.00 0.00 C ATOM 1204 NE2 HIS A 77 -3.550 2.634 -19.060 1.00 0.00 N ATOM 0 H HIS A 77 -3.383 2.338 -15.425 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.063 0.126 -14.397 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.721 0.000 -16.851 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.253 1.431 -15.991 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.516 0.475 -18.669 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.109 4.676 -18.748 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.934 2.716 -19.869 1.00 0.00 H new ATOM 1213 N ASN A 78 -2.161 -0.168 -15.436 1.00 0.00 N ATOM 1214 CA ASN A 78 -1.060 -1.049 -15.827 1.00 0.00 C ATOM 1215 C ASN A 78 -0.944 -2.265 -14.910 1.00 0.00 C ATOM 1216 O ASN A 78 -0.634 -2.138 -13.726 1.00 0.00 O ATOM 1217 CB ASN A 78 0.263 -0.286 -15.846 1.00 0.00 C ATOM 1218 CG ASN A 78 1.199 -0.798 -16.923 1.00 0.00 C ATOM 1219 OD1 ASN A 78 2.326 -1.202 -16.644 1.00 0.00 O ATOM 1220 ND2 ASN A 78 0.728 -0.786 -18.166 1.00 0.00 N ATOM 0 H ASN A 78 -1.865 0.705 -14.999 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.283 -1.408 -16.832 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.068 0.774 -16.009 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.747 -0.375 -14.873 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.309 -1.121 -18.935 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.214 -0.442 -18.351 1.00 0.00 H new ATOM 1227 N ARG A 79 -1.205 -3.446 -15.471 1.00 0.00 N ATOM 1228 CA ARG A 79 -1.144 -4.697 -14.720 1.00 0.00 C ATOM 1229 C ARG A 79 0.294 -5.192 -14.554 1.00 0.00 C ATOM 1230 O ARG A 79 0.556 -6.091 -13.756 1.00 0.00 O ATOM 1231 CB ARG A 79 -1.989 -5.771 -15.412 1.00 0.00 C ATOM 1232 CG ARG A 79 -1.580 -6.042 -16.852 1.00 0.00 C ATOM 1233 CD ARG A 79 -0.668 -7.254 -16.954 1.00 0.00 C ATOM 1234 NE ARG A 79 -1.420 -8.492 -17.143 1.00 0.00 N ATOM 1235 CZ ARG A 79 -0.864 -9.651 -17.485 1.00 0.00 C ATOM 1236 NH1 ARG A 79 0.446 -9.736 -17.682 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -1.621 -10.731 -17.633 1.00 0.00 N ATOM 0 H ARG A 79 -1.463 -3.561 -16.451 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.546 -4.502 -13.726 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.918 -6.698 -14.843 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.035 -5.465 -15.393 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.470 -6.203 -17.460 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.071 -5.167 -17.257 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.022 -7.119 -17.787 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.065 -7.331 -16.049 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.430 -8.466 -17.005 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.033 -8.909 -17.571 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.865 -10.628 -17.944 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.628 -10.672 -17.485 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.195 -11.620 -17.895 1.00 0.00 H new ATOM 1251 N SER A 80 1.227 -4.595 -15.292 1.00 0.00 N ATOM 1252 CA SER A 80 2.638 -4.968 -15.198 1.00 0.00 C ATOM 1253 C SER A 80 3.426 -3.845 -14.516 1.00 0.00 C ATOM 1254 O SER A 80 4.647 -3.943 -14.402 1.00 0.00 O ATOM 1255 CB SER A 80 3.203 -5.242 -16.595 1.00 0.00 C ATOM 1256 OG SER A 80 4.523 -5.752 -16.522 1.00 0.00 O ATOM 0 H SER A 80 1.032 -3.851 -15.962 1.00 0.00 H new ATOM 0 HA SER A 80 2.730 -5.876 -14.602 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.563 -5.954 -17.116 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.197 -4.322 -17.179 1.00 0.00 H new ATOM 0 HG SER A 80 5.032 -5.248 -15.853 1.00 0.00 H new ATOM 1262 N GLU A 81 2.753 -2.811 -14.023 1.00 0.00 N ATOM 1263 CA GLU A 81 3.458 -1.738 -13.320 1.00 0.00 C ATOM 1264 C GLU A 81 3.480 -2.006 -11.813 1.00 0.00 C ATOM 1265 O GLU A 81 2.442 -2.057 -11.153 1.00 0.00 O ATOM 1266 CB GLU A 81 2.819 -0.378 -13.600 1.00 0.00 C ATOM 1267 CG GLU A 81 3.588 0.784 -12.988 1.00 0.00 C ATOM 1268 CD GLU A 81 4.690 1.299 -13.894 1.00 0.00 C ATOM 1269 OE1 GLU A 81 4.419 1.512 -15.095 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.821 1.494 -13.403 1.00 0.00 O ATOM 0 H GLU A 81 1.743 -2.691 -14.093 1.00 0.00 H new ATOM 0 HA GLU A 81 4.483 -1.717 -13.691 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.750 -0.232 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.800 -0.376 -13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.896 1.596 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.021 0.468 -12.039 1.00 0.00 H new ATOM 1277 N GLU A 82 4.698 -2.155 -11.290 1.00 0.00 N ATOM 1278 CA GLU A 82 4.951 -2.403 -9.871 1.00 0.00 C ATOM 1279 C GLU A 82 4.601 -1.173 -9.038 1.00 0.00 C ATOM 1280 O GLU A 82 4.321 -0.109 -9.590 1.00 0.00 O ATOM 1281 CB GLU A 82 6.407 -2.818 -9.654 1.00 0.00 C ATOM 1282 CG GLU A 82 6.714 -4.209 -10.189 1.00 0.00 C ATOM 1283 CD GLU A 82 8.126 -4.332 -10.726 1.00 0.00 C ATOM 1284 OE1 GLU A 82 9.065 -4.425 -9.909 1.00 0.00 O ATOM 1285 OE2 GLU A 82 8.291 -4.341 -11.965 1.00 0.00 O ATOM 0 H GLU A 82 5.549 -2.106 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 82 4.312 -3.222 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.062 -2.095 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.633 -2.786 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.567 -4.940 -9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.006 -4.453 -10.981 1.00 0.00 H new ATOM 1292 N PHE A 83 4.589 -1.319 -7.712 1.00 0.00 N ATOM 1293 CA PHE A 83 4.238 -0.215 -6.828 1.00 0.00 C ATOM 1294 C PHE A 83 4.776 -0.409 -5.407 1.00 0.00 C ATOM 1295 O PHE A 83 5.330 -1.452 -5.063 1.00 0.00 O ATOM 1296 CB PHE A 83 2.721 -0.012 -6.784 1.00 0.00 C ATOM 1297 CG PHE A 83 2.217 0.996 -7.779 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.339 2.351 -7.519 1.00 0.00 C ATOM 1299 CD2 PHE A 83 1.620 0.597 -8.966 1.00 0.00 C ATOM 1300 CE1 PHE A 83 1.878 3.290 -8.420 1.00 0.00 C ATOM 1301 CE2 PHE A 83 1.157 1.533 -9.871 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.286 2.881 -9.598 1.00 0.00 C ATOM 0 H PHE A 83 4.818 -2.189 -7.231 1.00 0.00 H new ATOM 0 HA PHE A 83 4.710 0.676 -7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.230 -0.968 -6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.435 0.306 -5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.801 2.677 -6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.516 -0.455 -9.185 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.980 4.343 -8.203 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.694 1.211 -10.792 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.924 3.613 -10.305 1.00 0.00 H new ATOM 1312 N LEU A 84 4.567 0.621 -4.595 1.00 0.00 N ATOM 1313 CA LEU A 84 4.976 0.621 -3.187 1.00 0.00 C ATOM 1314 C LEU A 84 3.747 0.855 -2.302 1.00 0.00 C ATOM 1315 O LEU A 84 2.962 1.771 -2.554 1.00 0.00 O ATOM 1316 CB LEU A 84 6.042 1.695 -2.926 1.00 0.00 C ATOM 1317 CG LEU A 84 6.677 1.682 -1.531 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.750 2.327 -0.511 1.00 0.00 C ATOM 1319 CD2 LEU A 84 7.037 0.263 -1.110 1.00 0.00 C ATOM 0 H LEU A 84 4.109 1.483 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 84 5.415 -0.347 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.834 1.581 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.592 2.674 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 84 7.597 2.265 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.220 2.307 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.555 3.360 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.810 1.777 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.486 0.281 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.136 -0.350 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.747 -0.159 -1.821 1.00 0.00 H new ATOM 1331 N ILE A 85 3.543 -0.015 -1.313 1.00 0.00 N ATOM 1332 CA ILE A 85 2.337 0.110 -0.485 1.00 0.00 C ATOM 1333 C ILE A 85 2.589 0.125 1.036 1.00 0.00 C ATOM 1334 O ILE A 85 2.734 -0.921 1.660 1.00 0.00 O ATOM 1335 CB ILE A 85 1.389 -1.057 -0.822 1.00 0.00 C ATOM 1336 CG1 ILE A 85 1.107 -1.089 -2.327 1.00 0.00 C ATOM 1337 CG2 ILE A 85 0.089 -0.954 -0.032 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.389 0.138 -2.839 1.00 0.00 C ATOM 0 H ILE A 85 4.166 -0.785 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 85 1.906 1.082 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 85 1.877 -1.989 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.051 -1.196 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.509 -1.971 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.561 -1.790 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.309 -0.981 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.412 -0.017 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.225 0.042 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.571 0.236 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.995 1.023 -2.642 1.00 0.00 H new ATOM 1350 N ALA A 86 2.470 1.323 1.622 1.00 0.00 N ATOM 1351 CA ALA A 86 2.508 1.504 3.089 1.00 0.00 C ATOM 1352 C ALA A 86 1.038 1.544 3.555 1.00 0.00 C ATOM 1353 O ALA A 86 0.290 2.462 3.218 1.00 0.00 O ATOM 1354 CB ALA A 86 3.250 2.772 3.479 1.00 0.00 C ATOM 0 H ALA A 86 2.345 2.192 1.102 1.00 0.00 H new ATOM 0 HA ALA A 86 3.050 0.689 3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.257 2.870 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.275 2.721 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.751 3.636 3.040 1.00 0.00 H new ATOM 1360 N GLY A 87 0.651 0.544 4.361 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.704 0.463 4.910 1.00 0.00 C ATOM 1362 C GLY A 87 -0.824 -0.547 6.065 1.00 0.00 C ATOM 1363 O GLY A 87 -0.221 -1.598 6.019 1.00 0.00 O ATOM 0 H GLY A 87 1.263 -0.221 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.007 1.449 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.396 0.183 4.116 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.615 -0.205 7.091 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.855 -1.048 8.284 1.00 0.00 C ATOM 1369 C LYS A 88 -2.824 -2.202 7.965 1.00 0.00 C ATOM 1370 O LYS A 88 -3.353 -2.281 6.856 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.435 -0.181 9.416 1.00 0.00 C ATOM 1372 CG LYS A 88 -1.500 0.084 10.591 1.00 0.00 C ATOM 1373 CD LYS A 88 -1.981 -0.590 11.866 1.00 0.00 C ATOM 1374 CE LYS A 88 -2.856 0.341 12.693 1.00 0.00 C ATOM 1375 NZ LYS A 88 -4.195 -0.251 12.963 1.00 0.00 N ATOM 0 H LYS A 88 -2.119 0.681 7.121 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.904 -1.480 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.740 0.777 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.336 -0.665 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.500 -0.275 10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.422 1.159 10.757 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.542 -1.490 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.122 -0.906 12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.359 0.562 13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.977 1.288 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.761 0.414 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.680 -0.439 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.081 -1.142 13.487 1.00 0.00 H new ATOM 1389 N LEU A 89 -3.051 -3.097 8.940 1.00 0.00 N ATOM 1390 CA LEU A 89 -3.952 -4.252 8.773 1.00 0.00 C ATOM 1391 C LEU A 89 -5.175 -4.190 9.688 1.00 0.00 C ATOM 1392 O LEU A 89 -5.035 -4.095 10.908 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.210 -5.558 9.082 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.590 -6.278 7.889 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -1.935 -7.571 8.348 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.658 -6.575 6.852 1.00 0.00 C ATOM 0 H LEU A 89 -2.618 -3.042 9.862 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.287 -4.221 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.419 -5.341 9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.906 -6.240 9.570 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.831 -5.637 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.494 -8.080 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.156 -7.346 9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.685 -8.216 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.208 -7.089 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.428 -7.208 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.107 -5.641 6.514 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.375 -4.292 9.110 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.619 -4.298 9.881 1.00 0.00 C ATOM 1410 C GLN A 90 -8.215 -5.711 9.908 1.00 0.00 C ATOM 1411 O GLN A 90 -8.710 -6.216 8.899 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.630 -3.315 9.289 1.00 0.00 C ATOM 1413 CG GLN A 90 -9.611 -2.764 10.311 1.00 0.00 C ATOM 1414 CD GLN A 90 -8.924 -2.025 11.443 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -8.587 -2.614 12.469 1.00 0.00 O ATOM 1416 NE2 GLN A 90 -8.715 -0.726 11.261 1.00 0.00 N ATOM 0 H GLN A 90 -6.510 -4.372 8.102 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.392 -3.986 10.900 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.092 -2.486 8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.186 -3.813 8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.308 -2.090 9.813 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.200 -3.584 10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.011 -0.278 10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.258 -0.176 11.989 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.194 -6.312 11.091 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.762 -7.646 11.311 1.00 0.00 C ATOM 1427 C ASP A 91 -8.465 -8.650 10.190 1.00 0.00 C ATOM 1428 O ASP A 91 -9.285 -9.521 9.902 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.273 -7.537 11.513 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.640 -7.300 12.964 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.545 -6.139 13.418 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -11.016 -8.273 13.650 1.00 0.00 O ATOM 0 H ASP A 91 -7.785 -5.894 11.926 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.275 -8.036 12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.662 -6.721 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.752 -8.452 11.163 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.286 -8.554 9.594 1.00 0.00 N ATOM 1438 CA GLY A 92 -6.934 -9.515 8.558 1.00 0.00 C ATOM 1439 C GLY A 92 -6.799 -8.947 7.156 1.00 0.00 C ATOM 1440 O GLY A 92 -6.441 -9.665 6.222 1.00 0.00 O ATOM 0 H GLY A 92 -6.579 -7.848 9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.991 -9.988 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.691 -10.299 8.542 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.163 -7.678 6.997 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.162 -7.040 5.682 1.00 0.00 C ATOM 1446 C LEU A 93 -6.249 -5.834 5.630 1.00 0.00 C ATOM 1447 O LEU A 93 -6.123 -5.093 6.605 1.00 0.00 O ATOM 1448 CB LEU A 93 -8.582 -6.594 5.310 1.00 0.00 C ATOM 1449 CG LEU A 93 -9.633 -7.705 5.217 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -9.134 -8.855 4.355 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -10.020 -8.196 6.604 1.00 0.00 C ATOM 0 H LEU A 93 -7.462 -7.071 7.760 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.794 -7.781 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.917 -5.865 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.540 -6.080 4.350 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.522 -7.291 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.898 -9.630 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.921 -8.491 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.225 -9.269 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.767 -8.985 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.138 -8.587 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.433 -7.368 7.181 1.00 0.00 H new ATOM 1463 N LEU A 94 -5.632 -5.624 4.477 1.00 0.00 N ATOM 1464 CA LEU A 94 -4.757 -4.488 4.295 1.00 0.00 C ATOM 1465 C LEU A 94 -5.582 -3.214 4.311 1.00 0.00 C ATOM 1466 O LEU A 94 -6.757 -3.225 3.954 1.00 0.00 O ATOM 1467 CB LEU A 94 -3.985 -4.613 2.981 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.068 -3.434 2.646 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.079 -3.193 3.775 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.329 -3.685 1.339 1.00 0.00 C ATOM 0 H LEU A 94 -5.724 -6.226 3.659 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.032 -4.456 5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.383 -5.521 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.701 -4.737 2.169 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.684 -2.543 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.435 -2.351 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.622 -2.970 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.470 -4.085 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.682 -2.836 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.725 -4.587 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.050 -3.812 0.532 1.00 0.00 H new ATOM 1482 N HIS A 95 -4.963 -2.113 4.690 1.00 0.00 N ATOM 1483 CA HIS A 95 -5.651 -0.840 4.707 1.00 0.00 C ATOM 1484 C HIS A 95 -4.718 0.251 4.240 1.00 0.00 C ATOM 1485 O HIS A 95 -3.534 0.261 4.573 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.237 -0.527 6.082 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.550 -1.208 6.335 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -7.884 -2.520 6.323 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -8.713 -0.524 6.630 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.224 -2.603 6.606 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -9.702 -1.388 6.787 1.00 0.00 N flip ATOM 0 H HIS A 95 -3.989 -2.075 4.989 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.494 -0.897 4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.525 -0.828 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.370 0.551 6.176 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.801 0.549 6.719 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.795 -3.517 6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.669 -1.154 7.010 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.257 1.156 3.448 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.461 2.250 2.901 1.00 0.00 C ATOM 1502 C ILE A 96 -5.323 3.442 2.534 1.00 0.00 C ATOM 1503 O ILE A 96 -6.547 3.370 2.574 1.00 0.00 O ATOM 1504 CB ILE A 96 -3.685 1.813 1.643 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -4.625 1.129 0.648 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -2.522 0.902 2.010 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -5.118 -0.231 1.095 1.00 0.00 C ATOM 0 H ILE A 96 -6.237 1.161 3.167 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.760 2.534 3.686 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.272 2.703 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.485 1.776 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.110 1.021 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.991 0.608 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.840 1.432 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.901 0.013 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.778 -0.647 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.267 -0.897 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.664 -0.130 2.033 1.00 0.00 H new ATOM 1519 N THR A 97 -4.667 4.538 2.170 1.00 0.00 N ATOM 1520 CA THR A 97 -5.363 5.752 1.782 1.00 0.00 C ATOM 1521 C THR A 97 -4.482 6.624 0.891 1.00 0.00 C ATOM 1522 O THR A 97 -3.258 6.491 0.899 1.00 0.00 O ATOM 1523 CB THR A 97 -5.776 6.538 3.024 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.649 6.829 3.829 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.785 5.814 3.893 1.00 0.00 C ATOM 0 H THR A 97 -3.650 4.607 2.137 1.00 0.00 H new ATOM 0 HA THR A 97 -6.253 5.469 1.219 1.00 0.00 H new ATOM 0 HB THR A 97 -6.240 7.448 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.933 7.334 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.032 6.432 4.756 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.689 5.620 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.361 4.869 4.233 1.00 0.00 H new ATOM 1533 N THR A 98 -5.105 7.534 0.141 1.00 0.00 N ATOM 1534 CA THR A 98 -4.356 8.444 -0.725 1.00 0.00 C ATOM 1535 C THR A 98 -3.615 9.493 0.109 1.00 0.00 C ATOM 1536 O THR A 98 -2.970 10.390 -0.430 1.00 0.00 O ATOM 1537 CB THR A 98 -5.271 9.118 -1.745 1.00 0.00 C ATOM 1538 OG1 THR A 98 -4.581 10.150 -2.425 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.517 9.720 -1.135 1.00 0.00 C ATOM 0 H THR A 98 -6.117 7.660 0.116 1.00 0.00 H new ATOM 0 HA THR A 98 -3.622 7.854 -1.274 1.00 0.00 H new ATOM 0 HB THR A 98 -5.575 8.325 -2.428 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.896 10.529 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.119 10.181 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.097 8.938 -0.645 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.235 10.476 -0.402 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.692 9.343 1.430 1.00 0.00 N ATOM 1548 CA CYS A 99 -3.012 10.233 2.359 1.00 0.00 C ATOM 1549 C CYS A 99 -1.986 9.439 3.163 1.00 0.00 C ATOM 1550 O CYS A 99 -1.439 9.920 4.156 1.00 0.00 O ATOM 1551 CB CYS A 99 -4.008 10.930 3.290 1.00 0.00 C ATOM 1552 SG CYS A 99 -4.331 12.645 2.852 1.00 0.00 S ATOM 0 H CYS A 99 -4.227 8.602 1.882 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.501 11.009 1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.948 10.379 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.627 10.891 4.310 1.00 0.00 H new ATOM 1557 N SER A 100 -1.710 8.233 2.676 1.00 0.00 N ATOM 1558 CA SER A 100 -0.729 7.335 3.263 1.00 0.00 C ATOM 1559 C SER A 100 0.398 7.147 2.262 1.00 0.00 C ATOM 1560 O SER A 100 0.203 7.385 1.070 1.00 0.00 O ATOM 1561 CB SER A 100 -1.359 5.981 3.602 1.00 0.00 C ATOM 1562 OG SER A 100 -1.129 5.633 4.957 1.00 0.00 O ATOM 0 H SER A 100 -2.170 7.849 1.850 1.00 0.00 H new ATOM 0 HA SER A 100 -0.350 7.765 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.431 6.018 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.945 5.211 2.951 1.00 0.00 H new ATOM 0 HG SER A 100 -1.543 4.765 5.147 1.00 0.00 H new ATOM 1568 N PHE A 101 1.570 6.730 2.715 1.00 0.00 N ATOM 1569 CA PHE A 101 2.668 6.537 1.782 1.00 0.00 C ATOM 1570 C PHE A 101 2.324 5.441 0.770 1.00 0.00 C ATOM 1571 O PHE A 101 2.332 4.258 1.098 1.00 0.00 O ATOM 1572 CB PHE A 101 3.970 6.212 2.497 1.00 0.00 C ATOM 1573 CG PHE A 101 5.169 6.387 1.614 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.423 5.498 0.583 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.032 7.452 1.806 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.520 5.667 -0.240 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.129 7.629 0.985 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.374 6.733 -0.039 1.00 0.00 C ATOM 0 H PHE A 101 1.782 6.524 3.691 1.00 0.00 H new ATOM 0 HA PHE A 101 2.814 7.477 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.070 6.854 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.936 5.184 2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.757 4.664 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.846 8.153 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.709 4.966 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.794 8.465 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.232 6.867 -0.681 1.00 0.00 H new ATOM 1588 N VAL A 102 1.996 5.838 -0.461 1.00 0.00 N ATOM 1589 CA VAL A 102 1.626 4.872 -1.500 1.00 0.00 C ATOM 1590 C VAL A 102 2.019 5.360 -2.894 1.00 0.00 C ATOM 1591 O VAL A 102 1.374 6.252 -3.445 1.00 0.00 O ATOM 1592 CB VAL A 102 0.105 4.608 -1.494 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -0.250 3.484 -2.456 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.392 4.289 -0.091 1.00 0.00 C ATOM 0 H VAL A 102 1.979 6.812 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 102 2.167 3.954 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.393 5.518 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.327 3.314 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.055 3.759 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.267 2.572 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.466 4.108 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.117 3.400 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.183 5.131 0.569 1.00 0.00 H new ATOM 1604 N ALA A 103 3.078 4.785 -3.464 1.00 0.00 N ATOM 1605 CA ALA A 103 3.522 5.205 -4.801 1.00 0.00 C ATOM 1606 C ALA A 103 4.423 4.170 -5.481 1.00 0.00 C ATOM 1607 O ALA A 103 4.826 3.182 -4.871 1.00 0.00 O ATOM 1608 CB ALA A 103 4.232 6.548 -4.715 1.00 0.00 C ATOM 0 H ALA A 103 3.635 4.045 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 103 2.630 5.298 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.558 6.852 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.549 7.296 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.099 6.460 -4.061 1.00 0.00 H new ATOM 1614 N PRO A 104 4.735 4.382 -6.780 1.00 0.00 N ATOM 1615 CA PRO A 104 5.575 3.467 -7.570 1.00 0.00 C ATOM 1616 C PRO A 104 6.934 3.197 -6.998 1.00 0.00 C ATOM 1617 O PRO A 104 7.740 4.113 -6.826 1.00 0.00 O ATOM 1618 CB PRO A 104 5.796 4.216 -8.880 1.00 0.00 C ATOM 1619 CG PRO A 104 4.590 5.074 -9.009 1.00 0.00 C ATOM 1620 CD PRO A 104 4.274 5.521 -7.602 1.00 0.00 C ATOM 0 HA PRO A 104 5.076 2.500 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.709 4.811 -8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.890 3.530 -9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.781 5.927 -9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.757 4.521 -9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.796 6.442 -7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.209 5.710 -7.468 1.00 0.00 H new ATOM 1628 N TRP A 105 7.227 1.925 -6.802 1.00 0.00 N ATOM 1629 CA TRP A 105 8.543 1.537 -6.372 1.00 0.00 C ATOM 1630 C TRP A 105 9.495 2.209 -7.317 1.00 0.00 C ATOM 1631 O TRP A 105 10.441 2.888 -6.924 1.00 0.00 O ATOM 1632 CB TRP A 105 8.692 0.035 -6.533 1.00 0.00 C ATOM 1633 CG TRP A 105 9.934 -0.549 -5.962 1.00 0.00 C ATOM 1634 CD1 TRP A 105 10.877 -1.240 -6.653 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.362 -0.523 -4.596 1.00 0.00 C ATOM 1636 NE1 TRP A 105 11.870 -1.647 -5.811 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.581 -1.220 -4.540 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.843 0.020 -3.415 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.289 -1.389 -3.357 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.553 -0.146 -2.239 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.763 -0.845 -2.222 1.00 0.00 C ATOM 0 H TRP A 105 6.573 1.154 -6.934 1.00 0.00 H new ATOM 0 HA TRP A 105 8.726 1.810 -5.333 1.00 0.00 H new ATOM 0 HB2 TRP A 105 7.835 -0.450 -6.066 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.654 -0.205 -7.596 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.845 -1.438 -7.714 1.00 0.00 H new ATOM 0 HE1 TRP A 105 12.694 -2.183 -6.083 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.907 0.558 -3.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.223 -1.932 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.166 0.271 -1.321 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.294 -0.957 -1.288 1.00 0.00 H new ATOM 1652 N ASN A 106 9.218 1.975 -8.596 1.00 0.00 N ATOM 1653 CA ASN A 106 9.987 2.491 -9.693 1.00 0.00 C ATOM 1654 C ASN A 106 10.164 4.021 -9.693 1.00 0.00 C ATOM 1655 O ASN A 106 10.650 4.591 -10.670 1.00 0.00 O ATOM 1656 CB ASN A 106 9.396 2.021 -11.023 1.00 0.00 C ATOM 1657 CG ASN A 106 9.668 0.551 -11.282 1.00 0.00 C ATOM 1658 OD1 ASN A 106 10.814 0.102 -11.234 1.00 0.00 O ATOM 1659 ND2 ASN A 106 8.614 -0.209 -11.554 1.00 0.00 N ATOM 0 H ASN A 106 8.427 1.403 -8.893 1.00 0.00 H new ATOM 0 HA ASN A 106 10.990 2.085 -9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.320 2.195 -11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.815 2.615 -11.835 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.736 -1.206 -11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.682 0.204 -11.584 1.00 0.00 H new ATOM 1666 N SER A 107 9.838 4.668 -8.582 1.00 0.00 N ATOM 1667 CA SER A 107 10.033 6.114 -8.439 1.00 0.00 C ATOM 1668 C SER A 107 10.968 6.399 -7.258 1.00 0.00 C ATOM 1669 O SER A 107 11.397 7.530 -7.025 1.00 0.00 O ATOM 1670 CB SER A 107 8.693 6.832 -8.257 1.00 0.00 C ATOM 1671 OG SER A 107 8.030 6.997 -9.499 1.00 0.00 O ATOM 0 H SER A 107 9.435 4.217 -7.761 1.00 0.00 H new ATOM 0 HA SER A 107 10.492 6.496 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.061 6.262 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.858 7.806 -7.797 1.00 0.00 H new ATOM 0 HG SER A 107 7.176 7.456 -9.356 1.00 0.00 H new ATOM 1677 N LEU A 108 11.233 5.339 -6.520 1.00 0.00 N ATOM 1678 CA LEU A 108 12.064 5.363 -5.341 1.00 0.00 C ATOM 1679 C LEU A 108 13.550 5.453 -5.638 1.00 0.00 C ATOM 1680 O LEU A 108 14.026 5.089 -6.712 1.00 0.00 O ATOM 1681 CB LEU A 108 11.803 4.100 -4.550 1.00 0.00 C ATOM 1682 CG LEU A 108 10.742 4.224 -3.468 1.00 0.00 C ATOM 1683 CD1 LEU A 108 9.375 4.420 -4.086 1.00 0.00 C ATOM 1684 CD2 LEU A 108 10.754 3.003 -2.565 1.00 0.00 C ATOM 0 H LEU A 108 10.864 4.413 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 108 11.802 6.263 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.504 3.312 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.737 3.781 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 108 10.971 5.099 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.628 4.507 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.375 5.329 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.136 3.566 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.988 3.111 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.551 2.111 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.731 2.910 -2.092 1.00 0.00 H new ATOM 1696 N SER A 109 14.265 5.904 -4.621 1.00 0.00 N ATOM 1697 CA SER A 109 15.707 6.012 -4.681 1.00 0.00 C ATOM 1698 C SER A 109 16.289 4.646 -4.582 1.00 0.00 C ATOM 1699 O SER A 109 16.140 3.968 -3.579 1.00 0.00 O ATOM 1700 CB SER A 109 16.264 6.863 -3.548 1.00 0.00 C ATOM 1701 OG SER A 109 15.412 7.956 -3.249 1.00 0.00 O ATOM 0 H SER A 109 13.860 6.204 -3.734 1.00 0.00 H new ATOM 0 HA SER A 109 15.972 6.492 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.392 6.247 -2.658 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.251 7.235 -3.823 1.00 0.00 H new ATOM 0 HG SER A 109 14.731 7.673 -2.603 1.00 0.00 H new ATOM 1707 N LEU A 110 16.943 4.254 -5.642 1.00 0.00 N ATOM 1708 CA LEU A 110 17.583 2.962 -5.706 1.00 0.00 C ATOM 1709 C LEU A 110 18.131 2.554 -4.330 1.00 0.00 C ATOM 1710 O LEU A 110 18.165 1.372 -3.991 1.00 0.00 O ATOM 1711 CB LEU A 110 18.727 3.072 -6.697 1.00 0.00 C ATOM 1712 CG LEU A 110 19.946 3.883 -6.228 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.578 5.235 -5.628 1.00 0.00 C ATOM 1714 CD2 LEU A 110 20.787 3.060 -5.267 1.00 0.00 C ATOM 0 H LEU A 110 17.049 4.818 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 110 16.863 2.204 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.060 2.066 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.346 3.522 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 110 20.538 4.107 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.485 5.754 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.054 5.833 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.932 5.085 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.647 3.646 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.186 2.787 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.132 2.156 -5.768 1.00 0.00 H new ATOM 1726 N ALA A 111 18.521 3.554 -3.533 1.00 0.00 N ATOM 1727 CA ALA A 111 19.022 3.319 -2.194 1.00 0.00 C ATOM 1728 C ALA A 111 17.848 3.047 -1.283 1.00 0.00 C ATOM 1729 O ALA A 111 17.895 2.198 -0.397 1.00 0.00 O ATOM 1730 CB ALA A 111 19.807 4.515 -1.715 1.00 0.00 C ATOM 0 H ALA A 111 18.495 4.537 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 111 19.691 2.459 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.178 4.327 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.649 4.690 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.162 5.394 -1.706 1.00 0.00 H new ATOM 1736 N GLN A 112 16.791 3.782 -1.546 1.00 0.00 N ATOM 1737 CA GLN A 112 15.551 3.672 -0.818 1.00 0.00 C ATOM 1738 C GLN A 112 14.720 2.562 -1.430 1.00 0.00 C ATOM 1739 O GLN A 112 13.703 2.138 -0.884 1.00 0.00 O ATOM 1740 CB GLN A 112 14.825 5.023 -0.914 1.00 0.00 C ATOM 1741 CG GLN A 112 13.323 4.981 -0.735 1.00 0.00 C ATOM 1742 CD GLN A 112 12.661 6.224 -1.308 1.00 0.00 C ATOM 1743 OE1 GLN A 112 13.337 7.100 -1.852 1.00 0.00 O ATOM 1744 NE2 GLN A 112 11.342 6.311 -1.202 1.00 0.00 N ATOM 0 H GLN A 112 16.771 4.485 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 112 15.725 3.431 0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.242 5.692 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.043 5.462 -1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.921 4.094 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.084 4.895 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.817 5.566 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 112 10.853 7.123 -1.578 1.00 0.00 H new ATOM 1753 N ARG A 113 15.300 1.965 -2.464 1.00 0.00 N ATOM 1754 CA ARG A 113 14.755 0.758 -3.031 1.00 0.00 C ATOM 1755 C ARG A 113 15.221 -0.333 -2.082 1.00 0.00 C ATOM 1756 O ARG A 113 14.434 -1.183 -1.668 1.00 0.00 O ATOM 1757 CB ARG A 113 15.295 0.526 -4.440 1.00 0.00 C ATOM 1758 CG ARG A 113 14.237 0.069 -5.417 1.00 0.00 C ATOM 1759 CD ARG A 113 13.860 1.162 -6.391 1.00 0.00 C ATOM 1760 NE ARG A 113 13.967 0.712 -7.779 1.00 0.00 N ATOM 1761 CZ ARG A 113 14.298 1.503 -8.799 1.00 0.00 C ATOM 1762 NH1 ARG A 113 14.524 2.795 -8.604 1.00 0.00 N ATOM 1763 NH2 ARG A 113 14.396 0.997 -10.021 1.00 0.00 N ATOM 0 H ARG A 113 16.147 2.304 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 113 13.670 0.792 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.744 1.449 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.089 -0.220 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.602 -0.798 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.351 -0.251 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.840 1.490 -6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.508 2.025 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 113 13.776 -0.270 -7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.445 3.191 -7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.777 3.393 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.218 0.005 -10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.649 1.600 -10.804 1.00 0.00 H new ATOM 1777 N ARG A 114 16.482 -0.281 -1.694 1.00 0.00 N ATOM 1778 CA ARG A 114 17.004 -1.243 -0.747 1.00 0.00 C ATOM 1779 C ARG A 114 16.597 -0.845 0.655 1.00 0.00 C ATOM 1780 O ARG A 114 16.021 -1.640 1.395 1.00 0.00 O ATOM 1781 CB ARG A 114 18.520 -1.376 -0.892 1.00 0.00 C ATOM 1782 CG ARG A 114 19.379 -0.578 0.085 1.00 0.00 C ATOM 1783 CD ARG A 114 19.483 -1.274 1.428 1.00 0.00 C ATOM 1784 NE ARG A 114 20.557 -2.267 1.451 1.00 0.00 N ATOM 1785 CZ ARG A 114 21.829 -1.985 1.726 1.00 0.00 C ATOM 1786 NH1 ARG A 114 22.197 -0.739 2.000 1.00 0.00 N ATOM 1787 NH2 ARG A 114 22.736 -2.952 1.726 1.00 0.00 N ATOM 0 H ARG A 114 17.157 0.412 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 114 16.581 -2.226 -0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 114 18.780 -2.430 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 114 18.792 -1.078 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.376 -0.441 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 114 18.951 0.415 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 114 19.659 -0.533 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 114 18.535 -1.760 1.658 1.00 0.00 H new ATOM 0 HE ARG A 114 20.316 -3.236 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 114 21.504 0.009 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 114 23.173 -0.530 2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 114 22.459 -3.911 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 114 23.711 -2.737 1.936 1.00 0.00 H new ATOM 1801 N GLY A 115 16.883 0.402 1.010 1.00 0.00 N ATOM 1802 CA GLY A 115 16.518 0.887 2.311 1.00 0.00 C ATOM 1803 C GLY A 115 15.100 0.497 2.632 1.00 0.00 C ATOM 1804 O GLY A 115 14.881 -0.027 3.720 1.00 0.00 O ATOM 0 H GLY A 115 17.361 1.079 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.194 0.479 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.621 1.972 2.345 1.00 0.00 H new ATOM 1808 N PHE A 116 14.116 0.706 1.788 1.00 0.00 N ATOM 1809 CA PHE A 116 12.795 0.273 2.245 1.00 0.00 C ATOM 1810 C PHE A 116 12.937 -1.175 2.680 1.00 0.00 C ATOM 1811 O PHE A 116 12.653 -1.535 3.821 1.00 0.00 O ATOM 1812 CB PHE A 116 11.712 0.469 1.184 1.00 0.00 C ATOM 1813 CG PHE A 116 10.984 1.777 1.333 1.00 0.00 C ATOM 1814 CD1 PHE A 116 11.594 2.985 1.030 1.00 0.00 C ATOM 1815 CD2 PHE A 116 9.684 1.791 1.806 1.00 0.00 C ATOM 1816 CE1 PHE A 116 10.913 4.179 1.198 1.00 0.00 C ATOM 1817 CE2 PHE A 116 9.000 2.978 1.972 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.615 4.173 1.668 1.00 0.00 C ATOM 0 H PHE A 116 14.177 1.132 0.863 1.00 0.00 H new ATOM 0 HA PHE A 116 12.461 0.888 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.166 0.421 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.996 -0.350 1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.609 2.995 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.197 0.858 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.397 5.115 0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.984 2.970 2.340 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.082 5.104 1.797 1.00 0.00 H new ATOM 1828 N THR A 117 13.405 -1.988 1.755 1.00 0.00 N ATOM 1829 CA THR A 117 13.622 -3.394 2.015 1.00 0.00 C ATOM 1830 C THR A 117 14.369 -3.613 3.349 1.00 0.00 C ATOM 1831 O THR A 117 14.240 -4.677 3.957 1.00 0.00 O ATOM 1832 CB THR A 117 14.371 -4.016 0.813 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.651 -5.121 0.288 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.777 -4.505 1.114 1.00 0.00 C ATOM 0 H THR A 117 13.644 -1.694 0.808 1.00 0.00 H new ATOM 0 HA THR A 117 12.661 -3.897 2.124 1.00 0.00 H new ATOM 0 HB THR A 117 14.448 -3.195 0.101 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.708 -4.876 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.218 -4.924 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.386 -3.670 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.738 -5.272 1.887 1.00 0.00 H new ATOM 1842 N LYS A 118 15.169 -2.627 3.797 1.00 0.00 N ATOM 1843 CA LYS A 118 15.927 -2.789 5.051 1.00 0.00 C ATOM 1844 C LYS A 118 15.989 -1.534 5.958 1.00 0.00 C ATOM 1845 O LYS A 118 16.036 -1.656 7.181 1.00 0.00 O ATOM 1846 CB LYS A 118 17.349 -3.259 4.714 1.00 0.00 C ATOM 1847 CG LYS A 118 18.304 -2.151 4.290 1.00 0.00 C ATOM 1848 CD LYS A 118 19.523 -2.064 5.196 1.00 0.00 C ATOM 1849 CE LYS A 118 20.336 -0.809 4.909 1.00 0.00 C ATOM 1850 NZ LYS A 118 20.941 -0.237 6.144 1.00 0.00 N ATOM 0 H LYS A 118 15.305 -1.733 3.324 1.00 0.00 H new ATOM 0 HA LYS A 118 15.381 -3.529 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.765 -3.765 5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.293 -3.997 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.628 -2.326 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 118 17.778 -1.197 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 118 19.205 -2.063 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.148 -2.946 5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 118 21.125 -1.045 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 118 19.695 -0.062 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 21.485 0.615 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.188 0.013 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 21.573 -0.939 6.578 1.00 0.00 H new ATOM 1864 N THR A 119 16.082 -0.351 5.354 1.00 0.00 N ATOM 1865 CA THR A 119 16.253 0.911 6.096 1.00 0.00 C ATOM 1866 C THR A 119 15.114 1.382 6.969 1.00 0.00 C ATOM 1867 O THR A 119 15.375 1.861 8.075 1.00 0.00 O ATOM 1868 CB THR A 119 16.519 2.101 5.178 1.00 0.00 C ATOM 1869 OG1 THR A 119 15.605 2.144 4.116 1.00 0.00 O ATOM 1870 CG2 THR A 119 17.926 2.161 4.615 1.00 0.00 C ATOM 0 H THR A 119 16.042 -0.233 4.342 1.00 0.00 H new ATOM 0 HA THR A 119 17.092 0.627 6.731 1.00 0.00 H new ATOM 0 HB THR A 119 16.395 2.970 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.043 2.942 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 119 18.025 3.038 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.643 2.227 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 119 18.123 1.262 4.032 1.00 0.00 H new ATOM 1878 N TYR A 120 13.877 1.416 6.480 1.00 0.00 N ATOM 1879 CA TYR A 120 12.846 2.036 7.278 1.00 0.00 C ATOM 1880 C TYR A 120 12.085 1.140 8.242 1.00 0.00 C ATOM 1881 O TYR A 120 10.977 1.458 8.653 1.00 0.00 O ATOM 1882 CB TYR A 120 11.847 2.778 6.393 1.00 0.00 C ATOM 1883 CG TYR A 120 12.443 3.693 5.339 1.00 0.00 C ATOM 1884 CD1 TYR A 120 13.110 3.190 4.235 1.00 0.00 C ATOM 1885 CD2 TYR A 120 12.303 5.072 5.446 1.00 0.00 C ATOM 1886 CE1 TYR A 120 13.628 4.033 3.267 1.00 0.00 C ATOM 1887 CE2 TYR A 120 12.813 5.921 4.481 1.00 0.00 C ATOM 1888 CZ TYR A 120 13.476 5.396 3.394 1.00 0.00 C ATOM 1889 OH TYR A 120 13.984 6.236 2.431 1.00 0.00 O ATOM 0 H TYR A 120 13.581 1.039 5.579 1.00 0.00 H new ATOM 0 HA TYR A 120 13.410 2.718 7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 120 11.218 2.042 5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.195 3.371 7.034 1.00 0.00 H new ATOM 0 HD1 TYR A 120 13.228 2.122 4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 120 11.786 5.488 6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 120 14.150 3.623 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 120 12.692 6.990 4.579 1.00 0.00 H new ATOM 0 HH TYR A 120 13.790 7.166 2.672 1.00 0.00 H new ATOM 1899 N THR A 121 12.685 0.024 8.608 1.00 0.00 N ATOM 1900 CA THR A 121 12.044 -0.916 9.523 1.00 0.00 C ATOM 1901 C THR A 121 12.494 -0.692 10.966 1.00 0.00 C ATOM 1902 O THR A 121 11.777 -0.859 11.953 1.00 0.00 O ATOM 1903 CB THR A 121 12.305 -2.365 9.089 1.00 0.00 C ATOM 1904 OG1 THR A 121 13.061 -3.065 10.062 1.00 0.00 O ATOM 1905 CG2 THR A 121 13.042 -2.482 7.770 1.00 0.00 C ATOM 0 H THR A 121 13.612 -0.258 8.290 1.00 0.00 H new ATOM 0 HA THR A 121 10.970 -0.733 9.482 1.00 0.00 H new ATOM 0 HB THR A 121 11.312 -2.800 8.973 1.00 0.00 H new ATOM 0 HG1 THR A 121 13.211 -3.985 9.760 1.00 0.00 H new ATOM 0 HG21 THR A 121 13.191 -3.534 7.528 1.00 0.00 H new ATOM 0 HG22 THR A 121 12.456 -2.008 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 121 14.010 -1.988 7.849 1.00 0.00 H new ATOM 1913 N VAL A 122 13.756 -0.261 10.960 1.00 0.00 N ATOM 1914 CA VAL A 122 14.500 0.085 12.156 1.00 0.00 C ATOM 1915 C VAL A 122 15.004 1.526 12.108 1.00 0.00 C ATOM 1916 O VAL A 122 15.279 2.131 13.144 1.00 0.00 O ATOM 1917 CB VAL A 122 15.709 -0.845 12.337 1.00 0.00 C ATOM 1918 CG1 VAL A 122 16.167 -0.860 13.790 1.00 0.00 C ATOM 1919 CG2 VAL A 122 15.389 -2.255 11.859 1.00 0.00 C ATOM 0 H VAL A 122 14.294 -0.143 10.102 1.00 0.00 H new ATOM 0 HA VAL A 122 13.813 -0.028 12.995 1.00 0.00 H new ATOM 0 HB VAL A 122 16.525 -0.458 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 122 17.024 -1.525 13.894 1.00 0.00 H new ATOM 0 HG12 VAL A 122 16.451 0.148 14.092 1.00 0.00 H new ATOM 0 HG13 VAL A 122 15.354 -1.214 14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 122 16.262 -2.893 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 122 14.553 -2.653 12.434 1.00 0.00 H new ATOM 0 HG23 VAL A 122 15.123 -2.229 10.802 1.00 0.00 H new ATOM 1929 N GLY A 123 15.144 2.059 10.891 1.00 0.00 N ATOM 1930 CA GLY A 123 15.643 3.408 10.720 1.00 0.00 C ATOM 1931 C GLY A 123 14.749 4.232 9.824 1.00 0.00 C ATOM 1932 O GLY A 123 15.223 5.041 9.030 1.00 0.00 O ATOM 0 H GLY A 123 14.918 1.574 10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.724 3.891 11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.647 3.372 10.297 1.00 0.00 H new ATOM 1936 N CYS A 124 13.456 3.988 9.942 1.00 0.00 N ATOM 1937 CA CYS A 124 12.448 4.686 9.142 1.00 0.00 C ATOM 1938 C CYS A 124 12.546 6.197 9.332 1.00 0.00 C ATOM 1939 O CYS A 124 11.651 6.815 9.909 1.00 0.00 O ATOM 1940 CB CYS A 124 11.075 4.189 9.532 1.00 0.00 C ATOM 1941 SG CYS A 124 10.732 4.300 11.315 1.00 0.00 S ATOM 0 H CYS A 124 13.069 3.303 10.592 1.00 0.00 H new ATOM 0 HA CYS A 124 12.625 4.476 8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.324 4.764 8.991 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.971 3.151 9.216 1.00 0.00 H new ATOM 1946 N GLU A 125 13.615 6.789 8.838 1.00 0.00 N ATOM 1947 CA GLU A 125 13.805 8.233 8.944 1.00 0.00 C ATOM 1948 C GLU A 125 14.081 8.853 7.587 1.00 0.00 C ATOM 1949 O GLU A 125 15.215 9.217 7.277 1.00 0.00 O ATOM 1950 CB GLU A 125 14.940 8.540 9.915 1.00 0.00 C ATOM 1951 CG GLU A 125 15.791 7.323 10.196 1.00 0.00 C ATOM 1952 CD GLU A 125 16.790 7.544 11.315 1.00 0.00 C ATOM 1953 OE1 GLU A 125 16.383 7.479 12.495 1.00 0.00 O ATOM 1954 OE2 GLU A 125 17.978 7.782 11.014 1.00 0.00 O ATOM 0 H GLU A 125 14.369 6.298 8.358 1.00 0.00 H new ATOM 0 HA GLU A 125 12.883 8.672 9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 125 15.565 9.332 9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 125 14.525 8.916 10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 125 15.143 6.485 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.326 7.043 9.289 1.00 0.00 H new ATOM 1961 N GLU A 126 13.039 8.964 6.781 1.00 0.00 N ATOM 1962 CA GLU A 126 13.148 9.534 5.453 1.00 0.00 C ATOM 1963 C GLU A 126 14.038 10.776 5.442 1.00 0.00 C ATOM 1964 O GLU A 126 14.744 10.991 4.434 1.00 0.00 O ATOM 1965 CB GLU A 126 11.762 9.894 4.931 1.00 0.00 C ATOM 1966 CG GLU A 126 10.966 10.769 5.887 1.00 0.00 C ATOM 1967 CD GLU A 126 11.028 12.239 5.520 1.00 0.00 C ATOM 1968 OE1 GLU A 126 10.586 12.592 4.407 1.00 0.00 O ATOM 1969 OE2 GLU A 126 11.520 13.036 6.346 1.00 0.00 O ATOM 1970 OXT GLU A 126 14.016 11.526 6.441 1.00 0.00 O ATOM 0 H GLU A 126 12.097 8.662 7.030 1.00 0.00 H new ATOM 0 HA GLU A 126 13.607 8.786 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 126 11.864 10.411 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 126 11.204 8.977 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.926 10.443 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 126 11.347 10.635 6.899 1.00 0.00 H new