USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 671 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 48 GLN : amide:sc= -6.14! K(o=-6.1!,f=-1.9) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 TYR OH : rot 40:sc= -2.18! USER MOD Set 2.2: A 34 HIS : no HD1:sc= -6.84! C(o=-9!,f=-6.7!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.8!) USER MOD Single : A 32 THR OG1 : rot -78:sc= -1.75 USER MOD Single : A 37 SER OG : rot -35:sc= 0.177 USER MOD Single : A 38 GLN : amide:sc= -2.33 K(o=-2.3,f=-0.7) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00423 X(o=-0.0042,f=-0.45) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ -138:sc= -0.0593 (180deg=-1.85!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -111:sc= 0.3 USER MOD Single : A 157 LYS NZ :NH3+ 140:sc= -0.0108 (180deg=-1.29) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 164 LYS NZ :NH3+ -154:sc= -1.05 (180deg=-2.07!) USER MOD Single : A 165 SER OG : rot 94:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 9.837 -4.980 12.760 1.00 0.00 N ATOM 12 CA LYS A 2 9.656 -4.205 11.546 1.00 0.00 C ATOM 13 C LYS A 2 9.727 -5.138 10.335 1.00 0.00 C ATOM 14 O LYS A 2 10.699 -5.874 10.171 1.00 0.00 O ATOM 15 CB LYS A 2 10.659 -3.050 11.491 1.00 0.00 C ATOM 16 CG LYS A 2 10.046 -1.765 12.053 1.00 0.00 C ATOM 17 CD LYS A 2 10.862 -1.240 13.236 1.00 0.00 C ATOM 18 CE LYS A 2 10.706 0.276 13.382 1.00 0.00 C ATOM 19 NZ LYS A 2 10.579 0.649 14.808 1.00 0.00 N ATOM 0 HA LYS A 2 8.670 -3.741 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.551 -3.311 12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.975 -2.886 10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.003 -1.006 11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.021 -1.955 12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.538 -1.732 14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.914 -1.489 13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.567 0.780 12.944 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.826 0.612 12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.474 1.681 14.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.743 0.183 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.430 0.346 15.323 1.00 0.00 H new ATOM 33 N LYS A 3 8.687 -5.076 9.518 1.00 0.00 N ATOM 34 CA LYS A 3 8.619 -5.906 8.327 1.00 0.00 C ATOM 35 C LYS A 3 7.401 -5.499 7.495 1.00 0.00 C ATOM 36 O LYS A 3 6.468 -6.284 7.330 1.00 0.00 O ATOM 37 CB LYS A 3 8.639 -7.388 8.705 1.00 0.00 C ATOM 38 CG LYS A 3 8.908 -8.263 7.479 1.00 0.00 C ATOM 39 CD LYS A 3 10.083 -9.212 7.730 1.00 0.00 C ATOM 40 CE LYS A 3 11.413 -8.542 7.384 1.00 0.00 C ATOM 41 NZ LYS A 3 12.521 -9.173 8.135 1.00 0.00 N ATOM 0 H LYS A 3 7.883 -4.463 9.657 1.00 0.00 H new ATOM 0 HA LYS A 3 9.498 -5.749 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.407 -7.565 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.685 -7.666 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.015 -8.840 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.124 -7.631 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.089 -9.521 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.960 -10.115 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.600 -8.622 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.364 -7.479 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 13.417 -8.706 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.349 -9.075 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.577 -10.182 7.889 1.00 0.00 H new ATOM 55 N ILE A 4 7.449 -4.274 6.993 1.00 0.00 N ATOM 56 CA ILE A 4 6.360 -3.754 6.183 1.00 0.00 C ATOM 57 C ILE A 4 6.398 -4.412 4.802 1.00 0.00 C ATOM 58 O ILE A 4 7.460 -4.827 4.338 1.00 0.00 O ATOM 59 CB ILE A 4 6.410 -2.225 6.138 1.00 0.00 C ATOM 60 CG1 ILE A 4 6.747 -1.646 7.513 1.00 0.00 C ATOM 61 CG2 ILE A 4 5.108 -1.650 5.577 1.00 0.00 C ATOM 62 CD1 ILE A 4 8.053 -0.853 7.469 1.00 0.00 C ATOM 0 H ILE A 4 8.225 -3.626 7.131 1.00 0.00 H new ATOM 0 HA ILE A 4 5.398 -4.006 6.630 1.00 0.00 H new ATOM 0 HB ILE A 4 7.211 -1.930 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.936 -0.999 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.832 -2.453 8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.170 -0.562 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.951 -2.024 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.274 -1.954 6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.269 -0.452 8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.866 -1.508 7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.956 -0.032 6.759 1.00 0.00 H new ATOM 74 N GLY A 5 5.229 -4.488 4.186 1.00 0.00 N ATOM 75 CA GLY A 5 5.115 -5.087 2.867 1.00 0.00 C ATOM 76 C GLY A 5 4.077 -4.351 2.018 1.00 0.00 C ATOM 77 O GLY A 5 3.454 -3.398 2.481 1.00 0.00 O ATOM 0 H GLY A 5 4.351 -4.145 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.083 -5.061 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.834 -6.136 2.963 1.00 0.00 H new ATOM 81 N LEU A 6 3.927 -4.820 0.787 1.00 0.00 N ATOM 82 CA LEU A 6 2.977 -4.216 -0.132 1.00 0.00 C ATOM 83 C LEU A 6 2.197 -5.320 -0.848 1.00 0.00 C ATOM 84 O LEU A 6 2.772 -6.106 -1.599 1.00 0.00 O ATOM 85 CB LEU A 6 3.689 -3.251 -1.081 1.00 0.00 C ATOM 86 CG LEU A 6 5.218 -3.259 -1.022 1.00 0.00 C ATOM 87 CD1 LEU A 6 5.821 -2.940 -2.391 1.00 0.00 C ATOM 88 CD2 LEU A 6 5.728 -2.309 0.064 1.00 0.00 C ATOM 0 H LEU A 6 4.447 -5.610 0.405 1.00 0.00 H new ATOM 0 HA LEU A 6 2.250 -3.612 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.383 -3.484 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.342 -2.240 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 6 5.545 -4.263 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.909 -2.952 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.495 -3.687 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.489 -1.953 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.818 -2.333 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.391 -1.295 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.339 -2.622 1.033 1.00 0.00 H new ATOM 100 N PHE A 7 0.897 -5.343 -0.591 1.00 0.00 N ATOM 101 CA PHE A 7 0.030 -6.339 -1.202 1.00 0.00 C ATOM 102 C PHE A 7 -1.119 -5.671 -1.962 1.00 0.00 C ATOM 103 O PHE A 7 -1.983 -5.039 -1.358 1.00 0.00 O ATOM 104 CB PHE A 7 -0.548 -7.186 -0.066 1.00 0.00 C ATOM 105 CG PHE A 7 0.438 -8.198 0.519 1.00 0.00 C ATOM 106 CD1 PHE A 7 1.627 -7.774 1.028 1.00 0.00 C ATOM 107 CD2 PHE A 7 0.129 -9.521 0.530 1.00 0.00 C ATOM 108 CE1 PHE A 7 2.542 -8.713 1.571 1.00 0.00 C ATOM 109 CE2 PHE A 7 1.044 -10.462 1.073 1.00 0.00 C ATOM 110 CZ PHE A 7 2.232 -10.038 1.583 1.00 0.00 C ATOM 0 H PHE A 7 0.423 -4.689 0.031 1.00 0.00 H new ATOM 0 HA PHE A 7 0.597 -6.943 -1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.888 -6.524 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.425 -7.719 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.874 -6.723 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.814 -9.858 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.485 -8.376 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.797 -11.513 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.928 -10.752 1.997 1.00 0.00 H new ATOM 120 N TYR A 8 -1.090 -5.837 -3.276 1.00 0.00 N ATOM 121 CA TYR A 8 -2.118 -5.261 -4.125 1.00 0.00 C ATOM 122 C TYR A 8 -2.813 -6.340 -4.957 1.00 0.00 C ATOM 123 O TYR A 8 -2.476 -7.518 -4.856 1.00 0.00 O ATOM 124 CB TYR A 8 -1.395 -4.294 -5.066 1.00 0.00 C ATOM 125 CG TYR A 8 -0.005 -4.767 -5.495 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.036 -4.760 -4.589 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.207 -5.202 -6.787 1.00 0.00 C ATOM 128 CE1 TYR A 8 2.345 -5.206 -4.993 1.00 0.00 C ATOM 129 CE2 TYR A 8 1.516 -5.647 -7.190 1.00 0.00 C ATOM 130 CZ TYR A 8 2.520 -5.627 -6.273 1.00 0.00 C ATOM 131 OH TYR A 8 3.756 -6.048 -6.655 1.00 0.00 O ATOM 0 H TYR A 8 -0.371 -6.362 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.880 -4.767 -3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.007 -4.143 -5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.302 -3.326 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.869 -4.420 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.608 -5.209 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.169 -5.206 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.696 -5.989 -8.198 1.00 0.00 H new ATOM 0 HH TYR A 8 4.161 -6.572 -5.932 1.00 0.00 H new ATOM 141 N GLY A 9 -3.769 -5.898 -5.761 1.00 0.00 N ATOM 142 CA GLY A 9 -4.515 -6.812 -6.610 1.00 0.00 C ATOM 143 C GLY A 9 -3.786 -7.046 -7.936 1.00 0.00 C ATOM 144 O GLY A 9 -3.743 -8.168 -8.435 1.00 0.00 O ATOM 0 H GLY A 9 -4.044 -4.919 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.654 -7.762 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.508 -6.406 -6.803 1.00 0.00 H new ATOM 252 N SER A 17 12.915 -1.442 -12.031 1.00 0.00 N ATOM 253 CA SER A 17 11.947 -2.129 -11.193 1.00 0.00 C ATOM 254 C SER A 17 11.408 -1.175 -10.126 1.00 0.00 C ATOM 255 O SER A 17 12.108 -0.851 -9.168 1.00 0.00 O ATOM 256 CB SER A 17 12.565 -3.366 -10.539 1.00 0.00 C ATOM 257 OG SER A 17 12.024 -4.574 -11.064 1.00 0.00 O ATOM 0 HA SER A 17 11.122 -2.460 -11.824 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.644 -3.356 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.395 -3.330 -9.463 1.00 0.00 H new ATOM 0 HG SER A 17 12.445 -5.340 -10.622 1.00 0.00 H new ATOM 263 N VAL A 18 10.168 -0.751 -10.326 1.00 0.00 N ATOM 264 CA VAL A 18 9.527 0.157 -9.391 1.00 0.00 C ATOM 265 C VAL A 18 9.570 -0.448 -7.987 1.00 0.00 C ATOM 266 O VAL A 18 9.648 0.276 -6.997 1.00 0.00 O ATOM 267 CB VAL A 18 8.107 0.476 -9.863 1.00 0.00 C ATOM 268 CG1 VAL A 18 7.106 -0.542 -9.315 1.00 0.00 C ATOM 269 CG2 VAL A 18 7.708 1.901 -9.475 1.00 0.00 C ATOM 0 H VAL A 18 9.591 -1.020 -11.123 1.00 0.00 H new ATOM 0 HA VAL A 18 10.063 1.105 -9.351 1.00 0.00 H new ATOM 0 HB VAL A 18 8.092 0.408 -10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.104 -0.292 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.374 -1.540 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.125 -0.521 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.695 2.102 -9.822 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.748 2.008 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.397 2.610 -9.935 1.00 0.00 H new ATOM 279 N ALA A 19 9.517 -1.772 -7.945 1.00 0.00 N ATOM 280 CA ALA A 19 9.548 -2.484 -6.680 1.00 0.00 C ATOM 281 C ALA A 19 10.772 -2.033 -5.877 1.00 0.00 C ATOM 282 O ALA A 19 10.655 -1.685 -4.703 1.00 0.00 O ATOM 283 CB ALA A 19 9.544 -3.991 -6.941 1.00 0.00 C ATOM 0 H ALA A 19 9.453 -2.370 -8.769 1.00 0.00 H new ATOM 0 HA ALA A 19 8.662 -2.255 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.567 -4.525 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.641 -4.263 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.421 -4.261 -7.530 1.00 0.00 H new ATOM 289 N GLU A 20 11.918 -2.056 -6.543 1.00 0.00 N ATOM 290 CA GLU A 20 13.160 -1.655 -5.906 1.00 0.00 C ATOM 291 C GLU A 20 13.119 -0.167 -5.550 1.00 0.00 C ATOM 292 O GLU A 20 13.739 0.259 -4.578 1.00 0.00 O ATOM 293 CB GLU A 20 14.361 -1.972 -6.800 1.00 0.00 C ATOM 294 CG GLU A 20 15.353 -2.888 -6.082 1.00 0.00 C ATOM 295 CD GLU A 20 16.129 -2.121 -5.008 1.00 0.00 C ATOM 296 OE1 GLU A 20 16.518 -0.965 -5.232 1.00 0.00 O ATOM 297 OE2 GLU A 20 16.324 -2.767 -3.910 1.00 0.00 O ATOM 0 H GLU A 20 12.012 -2.346 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 20 13.273 -2.225 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.019 -2.449 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.859 -1.046 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.819 -3.721 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.049 -3.314 -6.805 1.00 0.00 H new ATOM 305 N ILE A 21 12.382 0.581 -6.357 1.00 0.00 N ATOM 306 CA ILE A 21 12.251 2.011 -6.140 1.00 0.00 C ATOM 307 C ILE A 21 11.521 2.258 -4.817 1.00 0.00 C ATOM 308 O ILE A 21 12.037 2.944 -3.938 1.00 0.00 O ATOM 309 CB ILE A 21 11.583 2.678 -7.343 1.00 0.00 C ATOM 310 CG1 ILE A 21 12.596 2.934 -8.461 1.00 0.00 C ATOM 311 CG2 ILE A 21 10.853 3.957 -6.928 1.00 0.00 C ATOM 312 CD1 ILE A 21 12.950 1.635 -9.188 1.00 0.00 C ATOM 0 H ILE A 21 11.869 0.223 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 21 13.234 2.473 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 21 10.832 1.993 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 21 12.186 3.652 -9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 21 13.499 3.379 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.387 4.410 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 21 10.085 3.716 -6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.565 4.657 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 21 13.671 1.845 -9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 21 13.382 0.928 -8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 21 12.049 1.205 -9.625 1.00 0.00 H new ATOM 324 N ILE A 22 10.331 1.682 -4.720 1.00 0.00 N ATOM 325 CA ILE A 22 9.527 1.829 -3.518 1.00 0.00 C ATOM 326 C ILE A 22 10.347 1.396 -2.303 1.00 0.00 C ATOM 327 O ILE A 22 10.342 2.071 -1.274 1.00 0.00 O ATOM 328 CB ILE A 22 8.202 1.078 -3.667 1.00 0.00 C ATOM 329 CG1 ILE A 22 7.348 1.216 -2.404 1.00 0.00 C ATOM 330 CG2 ILE A 22 8.442 -0.387 -4.038 1.00 0.00 C ATOM 331 CD1 ILE A 22 6.943 2.674 -2.174 1.00 0.00 C ATOM 0 H ILE A 22 9.905 1.114 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 22 9.260 2.874 -3.363 1.00 0.00 H new ATOM 0 HB ILE A 22 7.643 1.531 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.456 0.597 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.905 0.849 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.485 -0.899 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.982 -0.439 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.031 -0.868 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.337 2.745 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.837 3.286 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.366 3.030 -3.027 1.00 0.00 H new ATOM 343 N ARG A 23 11.032 0.273 -2.460 1.00 0.00 N ATOM 344 CA ARG A 23 11.855 -0.259 -1.387 1.00 0.00 C ATOM 345 C ARG A 23 12.821 0.814 -0.878 1.00 0.00 C ATOM 346 O ARG A 23 12.907 1.055 0.325 1.00 0.00 O ATOM 347 CB ARG A 23 12.656 -1.474 -1.858 1.00 0.00 C ATOM 348 CG ARG A 23 11.771 -2.720 -1.927 1.00 0.00 C ATOM 349 CD ARG A 23 12.617 -3.987 -2.070 1.00 0.00 C ATOM 350 NE ARG A 23 11.741 -5.159 -2.291 1.00 0.00 N ATOM 351 CZ ARG A 23 12.126 -6.281 -2.934 1.00 0.00 C ATOM 352 NH1 ARG A 23 13.378 -6.393 -3.428 1.00 0.00 N ATOM 353 NH2 ARG A 23 11.260 -7.267 -3.075 1.00 0.00 N ATOM 0 H ARG A 23 11.034 -0.284 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 23 11.190 -0.567 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.085 -1.273 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.488 -1.652 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.160 -2.786 -1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.087 -2.638 -2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.311 -3.879 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.218 -4.136 -1.173 1.00 0.00 H new ATOM 0 HE ARG A 23 10.786 -5.116 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.041 -5.626 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.661 -7.245 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.316 -7.174 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.535 -8.122 -3.559 1.00 0.00 H new ATOM 367 N ASP A 24 13.522 1.427 -1.819 1.00 0.00 N ATOM 368 CA ASP A 24 14.478 2.469 -1.481 1.00 0.00 C ATOM 369 C ASP A 24 13.767 3.572 -0.696 1.00 0.00 C ATOM 370 O ASP A 24 14.330 4.132 0.243 1.00 0.00 O ATOM 371 CB ASP A 24 15.078 3.096 -2.741 1.00 0.00 C ATOM 372 CG ASP A 24 16.417 3.808 -2.535 1.00 0.00 C ATOM 373 OD1 ASP A 24 16.705 4.320 -1.443 1.00 0.00 O ATOM 374 OD2 ASP A 24 17.190 3.825 -3.567 1.00 0.00 O ATOM 0 H ASP A 24 13.448 1.223 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 24 15.274 2.017 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.211 2.315 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.363 3.810 -3.149 1.00 0.00 H new ATOM 380 N GLU A 25 12.540 3.854 -1.111 1.00 0.00 N ATOM 381 CA GLU A 25 11.747 4.879 -0.458 1.00 0.00 C ATOM 382 C GLU A 25 11.466 4.489 0.994 1.00 0.00 C ATOM 383 O GLU A 25 11.682 5.284 1.908 1.00 0.00 O ATOM 384 CB GLU A 25 10.444 5.132 -1.219 1.00 0.00 C ATOM 385 CG GLU A 25 10.726 5.582 -2.654 1.00 0.00 C ATOM 386 CD GLU A 25 11.918 6.540 -2.703 1.00 0.00 C ATOM 387 OE1 GLU A 25 12.013 7.457 -1.874 1.00 0.00 O ATOM 388 OE2 GLU A 25 12.768 6.304 -3.645 1.00 0.00 O ATOM 0 H GLU A 25 12.077 3.389 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 25 12.317 5.808 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.843 4.223 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.859 5.894 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.928 4.712 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.844 6.072 -3.065 1.00 0.00 H new ATOM 396 N PHE A 26 10.989 3.265 1.163 1.00 0.00 N ATOM 397 CA PHE A 26 10.678 2.759 2.489 1.00 0.00 C ATOM 398 C PHE A 26 11.934 2.697 3.362 1.00 0.00 C ATOM 399 O PHE A 26 11.907 3.101 4.524 1.00 0.00 O ATOM 400 CB PHE A 26 10.126 1.344 2.310 1.00 0.00 C ATOM 401 CG PHE A 26 8.602 1.253 2.407 1.00 0.00 C ATOM 402 CD1 PHE A 26 8.004 1.120 3.621 1.00 0.00 C ATOM 403 CD2 PHE A 26 7.845 1.307 1.278 1.00 0.00 C ATOM 404 CE1 PHE A 26 6.589 1.036 3.710 1.00 0.00 C ATOM 405 CE2 PHE A 26 6.431 1.224 1.367 1.00 0.00 C ATOM 406 CZ PHE A 26 5.831 1.090 2.582 1.00 0.00 C ATOM 0 H PHE A 26 10.810 2.608 0.403 1.00 0.00 H new ATOM 0 HA PHE A 26 9.960 3.417 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.441 0.962 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.567 0.695 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.605 1.078 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.320 1.413 0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.114 0.929 4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.830 1.267 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.755 1.027 2.650 1.00 0.00 H new ATOM 416 N GLY A 27 13.003 2.189 2.768 1.00 0.00 N ATOM 417 CA GLY A 27 14.266 2.068 3.476 1.00 0.00 C ATOM 418 C GLY A 27 14.337 0.750 4.250 1.00 0.00 C ATOM 419 O GLY A 27 13.515 -0.141 4.044 1.00 0.00 O ATOM 0 H GLY A 27 13.021 1.856 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.091 2.122 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.383 2.905 4.165 1.00 0.00 H new ATOM 423 N ASN A 28 15.328 0.667 5.125 1.00 0.00 N ATOM 424 CA ASN A 28 15.517 -0.527 5.932 1.00 0.00 C ATOM 425 C ASN A 28 15.422 -1.763 5.034 1.00 0.00 C ATOM 426 O ASN A 28 15.362 -1.644 3.812 1.00 0.00 O ATOM 427 CB ASN A 28 14.438 -0.640 7.009 1.00 0.00 C ATOM 428 CG ASN A 28 14.951 -0.126 8.355 1.00 0.00 C ATOM 429 OD1 ASN A 28 16.140 0.033 8.577 1.00 0.00 O ATOM 430 ND2 ASN A 28 13.990 0.125 9.241 1.00 0.00 N ATOM 0 H ASN A 28 16.009 1.407 5.293 1.00 0.00 H new ATOM 0 HA ASN A 28 16.495 -0.462 6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.559 -0.070 6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.125 -1.679 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.230 0.472 10.170 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.013 -0.030 8.991 1.00 0.00 H new ATOM 437 N ASP A 29 15.411 -2.921 5.677 1.00 0.00 N ATOM 438 CA ASP A 29 15.324 -4.178 4.953 1.00 0.00 C ATOM 439 C ASP A 29 13.852 -4.565 4.785 1.00 0.00 C ATOM 440 O ASP A 29 13.536 -5.533 4.095 1.00 0.00 O ATOM 441 CB ASP A 29 16.023 -5.304 5.717 1.00 0.00 C ATOM 442 CG ASP A 29 17.550 -5.197 5.771 1.00 0.00 C ATOM 443 OD1 ASP A 29 18.246 -5.504 4.792 1.00 0.00 O ATOM 444 OD2 ASP A 29 18.027 -4.772 6.892 1.00 0.00 O ATOM 0 H ASP A 29 15.461 -3.016 6.691 1.00 0.00 H new ATOM 0 HA ASP A 29 15.808 -4.043 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.639 -5.324 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.756 -6.255 5.257 1.00 0.00 H new ATOM 450 N VAL A 30 12.993 -3.786 5.426 1.00 0.00 N ATOM 451 CA VAL A 30 11.563 -4.036 5.357 1.00 0.00 C ATOM 452 C VAL A 30 11.083 -3.825 3.920 1.00 0.00 C ATOM 453 O VAL A 30 10.858 -2.692 3.496 1.00 0.00 O ATOM 454 CB VAL A 30 10.828 -3.153 6.367 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.963 -3.715 7.785 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.328 -1.708 6.300 1.00 0.00 C ATOM 0 H VAL A 30 13.259 -2.982 5.995 1.00 0.00 H new ATOM 0 HA VAL A 30 11.342 -5.069 5.627 1.00 0.00 H new ATOM 0 HB VAL A 30 9.770 -3.153 6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.432 -3.069 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.537 -4.717 7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.017 -3.759 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.789 -1.102 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.394 -1.681 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.158 -1.310 5.300 1.00 0.00 H new ATOM 466 N VAL A 31 10.939 -4.934 3.209 1.00 0.00 N ATOM 467 CA VAL A 31 10.488 -4.886 1.828 1.00 0.00 C ATOM 468 C VAL A 31 9.859 -6.229 1.453 1.00 0.00 C ATOM 469 O VAL A 31 10.507 -7.071 0.835 1.00 0.00 O ATOM 470 CB VAL A 31 11.650 -4.494 0.912 1.00 0.00 C ATOM 471 CG1 VAL A 31 12.087 -3.050 1.169 1.00 0.00 C ATOM 472 CG2 VAL A 31 12.826 -5.460 1.074 1.00 0.00 C ATOM 0 H VAL A 31 11.127 -5.872 3.564 1.00 0.00 H new ATOM 0 HA VAL A 31 9.720 -4.122 1.704 1.00 0.00 H new ATOM 0 HB VAL A 31 11.302 -4.560 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.914 -2.797 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.250 -2.377 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.409 -2.946 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.638 -5.159 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.173 -5.440 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.505 -6.470 0.818 1.00 0.00 H new ATOM 482 N THR A 32 8.603 -6.386 1.845 1.00 0.00 N ATOM 483 CA THR A 32 7.879 -7.613 1.558 1.00 0.00 C ATOM 484 C THR A 32 6.664 -7.320 0.674 1.00 0.00 C ATOM 485 O THR A 32 5.628 -6.875 1.163 1.00 0.00 O ATOM 486 CB THR A 32 7.514 -8.268 2.892 1.00 0.00 C ATOM 487 OG1 THR A 32 6.547 -7.389 3.460 1.00 0.00 O ATOM 488 CG2 THR A 32 8.673 -8.247 3.891 1.00 0.00 C ATOM 0 H THR A 32 8.069 -5.685 2.358 1.00 0.00 H new ATOM 0 HA THR A 32 8.494 -8.313 0.992 1.00 0.00 H new ATOM 0 HB THR A 32 7.205 -9.299 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.000 -6.613 3.850 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.361 -8.724 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.523 -8.787 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.962 -7.215 4.092 1.00 0.00 H new ATOM 496 N LEU A 33 6.834 -7.584 -0.613 1.00 0.00 N ATOM 497 CA LEU A 33 5.765 -7.356 -1.571 1.00 0.00 C ATOM 498 C LEU A 33 5.190 -8.702 -2.018 1.00 0.00 C ATOM 499 O LEU A 33 5.832 -9.739 -1.856 1.00 0.00 O ATOM 500 CB LEU A 33 6.258 -6.483 -2.727 1.00 0.00 C ATOM 501 CG LEU A 33 7.659 -6.800 -3.257 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.680 -6.800 -4.785 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.698 -5.843 -2.668 1.00 0.00 C ATOM 0 H LEU A 33 7.696 -7.954 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 33 4.951 -6.800 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.550 -6.573 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.240 -5.442 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 33 7.928 -7.805 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.687 -7.028 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.987 -7.554 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.381 -5.818 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.684 -6.090 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.445 -4.818 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.706 -5.938 -1.582 1.00 0.00 H new ATOM 515 N HIS A 34 3.987 -8.641 -2.570 1.00 0.00 N ATOM 516 CA HIS A 34 3.320 -9.843 -3.041 1.00 0.00 C ATOM 517 C HIS A 34 4.260 -10.629 -3.956 1.00 0.00 C ATOM 518 O HIS A 34 4.084 -11.831 -4.147 1.00 0.00 O ATOM 519 CB HIS A 34 1.990 -9.497 -3.713 1.00 0.00 C ATOM 520 CG HIS A 34 2.101 -9.230 -5.195 1.00 0.00 C ATOM 521 ND1 HIS A 34 3.136 -8.497 -5.750 1.00 0.00 N ATOM 522 CD2 HIS A 34 1.300 -9.609 -6.232 1.00 0.00 C ATOM 523 CE1 HIS A 34 2.954 -8.441 -7.060 1.00 0.00 C ATOM 524 NE2 HIS A 34 1.815 -9.130 -7.357 1.00 0.00 N ATOM 0 H HIS A 34 3.457 -7.779 -2.702 1.00 0.00 H new ATOM 0 HA HIS A 34 3.077 -10.484 -2.193 1.00 0.00 H new ATOM 0 HB2 HIS A 34 1.290 -10.317 -3.554 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.567 -8.618 -3.227 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.399 -10.199 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.595 -7.938 -7.769 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.424 -9.256 -8.290 1.00 0.00 H new ATOM 533 N ASP A 35 5.236 -9.918 -4.498 1.00 0.00 N ATOM 534 CA ASP A 35 6.205 -10.533 -5.390 1.00 0.00 C ATOM 535 C ASP A 35 6.563 -11.925 -4.863 1.00 0.00 C ATOM 536 O ASP A 35 6.873 -12.825 -5.641 1.00 0.00 O ATOM 537 CB ASP A 35 7.491 -9.708 -5.461 1.00 0.00 C ATOM 538 CG ASP A 35 8.728 -10.479 -5.929 1.00 0.00 C ATOM 539 OD1 ASP A 35 9.280 -11.310 -5.192 1.00 0.00 O ATOM 540 OD2 ASP A 35 9.131 -10.191 -7.120 1.00 0.00 O ATOM 0 H ASP A 35 5.378 -8.921 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 35 5.760 -10.591 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.329 -8.867 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.693 -9.291 -4.474 1.00 0.00 H new ATOM 546 N VAL A 36 6.511 -12.055 -3.546 1.00 0.00 N ATOM 547 CA VAL A 36 6.825 -13.321 -2.906 1.00 0.00 C ATOM 548 C VAL A 36 5.628 -14.264 -3.035 1.00 0.00 C ATOM 549 O VAL A 36 5.118 -14.767 -2.034 1.00 0.00 O ATOM 550 CB VAL A 36 7.246 -13.084 -1.454 1.00 0.00 C ATOM 551 CG1 VAL A 36 8.636 -12.450 -1.383 1.00 0.00 C ATOM 552 CG2 VAL A 36 6.214 -12.226 -0.718 1.00 0.00 C ATOM 0 H VAL A 36 6.256 -11.304 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 36 7.670 -13.799 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 36 7.294 -14.053 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.911 -12.292 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.363 -13.112 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.626 -11.493 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.537 -12.072 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.121 -11.261 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.249 -12.733 -0.724 1.00 0.00 H new ATOM 562 N SER A 37 5.214 -14.477 -4.275 1.00 0.00 N ATOM 563 CA SER A 37 4.086 -15.353 -4.548 1.00 0.00 C ATOM 564 C SER A 37 4.500 -16.814 -4.364 1.00 0.00 C ATOM 565 O SER A 37 3.677 -17.717 -4.494 1.00 0.00 O ATOM 566 CB SER A 37 3.544 -15.128 -5.960 1.00 0.00 C ATOM 567 OG SER A 37 2.272 -15.744 -6.148 1.00 0.00 O ATOM 0 H SER A 37 5.639 -14.058 -5.102 1.00 0.00 H new ATOM 0 HA SER A 37 3.291 -15.117 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.460 -14.058 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.251 -15.527 -6.688 1.00 0.00 H new ATOM 0 HG SER A 37 2.239 -16.585 -5.646 1.00 0.00 H new ATOM 573 N GLN A 38 5.779 -17.000 -4.065 1.00 0.00 N ATOM 574 CA GLN A 38 6.312 -18.336 -3.864 1.00 0.00 C ATOM 575 C GLN A 38 5.790 -18.924 -2.552 1.00 0.00 C ATOM 576 O GLN A 38 5.904 -20.126 -2.317 1.00 0.00 O ATOM 577 CB GLN A 38 7.842 -18.325 -3.888 1.00 0.00 C ATOM 578 CG GLN A 38 8.365 -17.411 -4.998 1.00 0.00 C ATOM 579 CD GLN A 38 9.308 -16.346 -4.432 1.00 0.00 C ATOM 580 OE1 GLN A 38 10.360 -16.059 -4.978 1.00 0.00 O ATOM 581 NE2 GLN A 38 8.873 -15.780 -3.309 1.00 0.00 N ATOM 0 H GLN A 38 6.460 -16.248 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 38 5.972 -18.968 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.222 -17.987 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.214 -19.338 -4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.889 -18.005 -5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.527 -16.929 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.982 -16.068 -2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.431 -15.058 -2.852 1.00 0.00 H new ATOM 590 N ALA A 39 5.225 -18.049 -1.732 1.00 0.00 N ATOM 591 CA ALA A 39 4.684 -18.467 -0.449 1.00 0.00 C ATOM 592 C ALA A 39 3.164 -18.294 -0.461 1.00 0.00 C ATOM 593 O ALA A 39 2.576 -18.006 -1.503 1.00 0.00 O ATOM 594 CB ALA A 39 5.353 -17.668 0.672 1.00 0.00 C ATOM 0 H ALA A 39 5.130 -17.053 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 39 4.895 -19.521 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.947 -17.981 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.428 -17.848 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.161 -16.605 0.526 1.00 0.00 H new ATOM 600 N GLU A 40 2.570 -18.477 0.710 1.00 0.00 N ATOM 601 CA GLU A 40 1.130 -18.346 0.847 1.00 0.00 C ATOM 602 C GLU A 40 0.782 -17.027 1.542 1.00 0.00 C ATOM 603 O GLU A 40 1.667 -16.312 2.006 1.00 0.00 O ATOM 604 CB GLU A 40 0.539 -19.537 1.603 1.00 0.00 C ATOM 605 CG GLU A 40 0.173 -20.670 0.643 1.00 0.00 C ATOM 606 CD GLU A 40 -0.695 -21.720 1.339 1.00 0.00 C ATOM 607 OE1 GLU A 40 -0.163 -22.655 1.956 1.00 0.00 O ATOM 608 OE2 GLU A 40 -1.966 -21.539 1.224 1.00 0.00 O ATOM 0 H GLU A 40 3.061 -18.715 1.572 1.00 0.00 H new ATOM 0 HA GLU A 40 0.689 -18.337 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.257 -19.897 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.348 -19.220 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.360 -20.265 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.082 -21.138 0.264 1.00 0.00 H new ATOM 616 N VAL A 41 -0.513 -16.747 1.591 1.00 0.00 N ATOM 617 CA VAL A 41 -0.989 -15.528 2.223 1.00 0.00 C ATOM 618 C VAL A 41 -0.434 -15.443 3.645 1.00 0.00 C ATOM 619 O VAL A 41 -0.378 -14.362 4.231 1.00 0.00 O ATOM 620 CB VAL A 41 -2.518 -15.476 2.173 1.00 0.00 C ATOM 621 CG1 VAL A 41 -3.029 -15.728 0.753 1.00 0.00 C ATOM 622 CG2 VAL A 41 -3.131 -16.469 3.162 1.00 0.00 C ATOM 0 H VAL A 41 -1.246 -17.342 1.204 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.629 -14.653 1.683 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.830 -14.474 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.118 -15.686 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.631 -14.966 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.702 -16.712 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.218 -16.413 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.807 -17.479 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.805 -16.224 4.173 1.00 0.00 H new ATOM 632 N THR A 42 -0.037 -16.597 4.161 1.00 0.00 N ATOM 633 CA THR A 42 0.512 -16.667 5.505 1.00 0.00 C ATOM 634 C THR A 42 1.669 -15.678 5.660 1.00 0.00 C ATOM 635 O THR A 42 1.910 -15.165 6.752 1.00 0.00 O ATOM 636 CB THR A 42 0.912 -18.118 5.776 1.00 0.00 C ATOM 637 OG1 THR A 42 1.193 -18.145 7.173 1.00 0.00 O ATOM 638 CG2 THR A 42 2.243 -18.492 5.121 1.00 0.00 C ATOM 0 H THR A 42 -0.085 -17.491 3.673 1.00 0.00 H new ATOM 0 HA THR A 42 -0.227 -16.374 6.251 1.00 0.00 H new ATOM 0 HB THR A 42 0.129 -18.784 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.459 -19.051 7.436 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.479 -19.532 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.167 -18.362 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.033 -17.849 5.509 1.00 0.00 H new ATOM 646 N ASP A 43 2.355 -15.440 4.552 1.00 0.00 N ATOM 647 CA ASP A 43 3.482 -14.522 4.550 1.00 0.00 C ATOM 648 C ASP A 43 3.067 -13.213 5.224 1.00 0.00 C ATOM 649 O ASP A 43 3.770 -12.712 6.100 1.00 0.00 O ATOM 650 CB ASP A 43 3.929 -14.200 3.124 1.00 0.00 C ATOM 651 CG ASP A 43 5.201 -14.914 2.667 1.00 0.00 C ATOM 652 OD1 ASP A 43 5.418 -16.096 2.979 1.00 0.00 O ATOM 653 OD2 ASP A 43 6.004 -14.199 1.954 1.00 0.00 O ATOM 0 H ASP A 43 2.152 -15.867 3.648 1.00 0.00 H new ATOM 0 HA ASP A 43 4.305 -14.996 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.121 -14.457 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.085 -13.124 3.043 1.00 0.00 H new ATOM 659 N LEU A 44 1.928 -12.696 4.788 1.00 0.00 N ATOM 660 CA LEU A 44 1.410 -11.453 5.338 1.00 0.00 C ATOM 661 C LEU A 44 0.799 -11.724 6.713 1.00 0.00 C ATOM 662 O LEU A 44 0.944 -10.918 7.630 1.00 0.00 O ATOM 663 CB LEU A 44 0.443 -10.794 4.353 1.00 0.00 C ATOM 664 CG LEU A 44 -0.877 -11.532 4.114 1.00 0.00 C ATOM 665 CD1 LEU A 44 -2.072 -10.650 4.483 1.00 0.00 C ATOM 666 CD2 LEU A 44 -0.965 -12.045 2.676 1.00 0.00 C ATOM 0 H LEU A 44 1.349 -13.114 4.060 1.00 0.00 H new ATOM 0 HA LEU A 44 2.217 -10.735 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.216 -9.791 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.952 -10.681 3.396 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.906 -12.403 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.997 -11.198 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.010 -10.376 5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.061 -9.747 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.912 -12.565 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.905 -11.204 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.141 -12.732 2.484 1.00 0.00 H new ATOM 678 N ASN A 45 0.128 -12.863 6.814 1.00 0.00 N ATOM 679 CA ASN A 45 -0.507 -13.249 8.062 1.00 0.00 C ATOM 680 C ASN A 45 0.471 -13.029 9.217 1.00 0.00 C ATOM 681 O ASN A 45 0.056 -12.765 10.345 1.00 0.00 O ATOM 682 CB ASN A 45 -0.895 -14.730 8.046 1.00 0.00 C ATOM 683 CG ASN A 45 -1.565 -15.134 9.362 1.00 0.00 C ATOM 684 OD1 ASN A 45 -2.289 -14.371 9.980 1.00 0.00 O ATOM 685 ND2 ASN A 45 -1.284 -16.374 9.753 1.00 0.00 N ATOM 0 H ASN A 45 0.011 -13.530 6.052 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.404 -12.642 8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.572 -14.924 7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.007 -15.341 7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.683 -16.739 10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.670 -16.960 9.188 1.00 0.00 H new ATOM 692 N ASP A 46 1.751 -13.145 8.897 1.00 0.00 N ATOM 693 CA ASP A 46 2.792 -12.961 9.895 1.00 0.00 C ATOM 694 C ASP A 46 2.996 -11.466 10.144 1.00 0.00 C ATOM 695 O ASP A 46 3.080 -11.030 11.291 1.00 0.00 O ATOM 696 CB ASP A 46 4.122 -13.548 9.416 1.00 0.00 C ATOM 697 CG ASP A 46 4.181 -15.076 9.386 1.00 0.00 C ATOM 698 OD1 ASP A 46 3.347 -15.760 9.996 1.00 0.00 O ATOM 699 OD2 ASP A 46 5.150 -15.570 8.691 1.00 0.00 O ATOM 0 H ASP A 46 2.092 -13.364 7.961 1.00 0.00 H new ATOM 0 HA ASP A 46 2.480 -13.471 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.328 -13.172 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.918 -13.181 10.064 1.00 0.00 H new ATOM 705 N TYR A 47 3.071 -10.721 9.050 1.00 0.00 N ATOM 706 CA TYR A 47 3.264 -9.284 9.136 1.00 0.00 C ATOM 707 C TYR A 47 1.926 -8.546 9.071 1.00 0.00 C ATOM 708 O TYR A 47 1.189 -8.674 8.093 1.00 0.00 O ATOM 709 CB TYR A 47 4.105 -8.898 7.917 1.00 0.00 C ATOM 710 CG TYR A 47 4.911 -10.056 7.326 1.00 0.00 C ATOM 711 CD1 TYR A 47 5.544 -10.954 8.162 1.00 0.00 C ATOM 712 CD2 TYR A 47 5.007 -10.202 5.956 1.00 0.00 C ATOM 713 CE1 TYR A 47 6.303 -12.044 7.605 1.00 0.00 C ATOM 714 CE2 TYR A 47 5.766 -11.291 5.400 1.00 0.00 C ATOM 715 CZ TYR A 47 6.377 -12.159 6.252 1.00 0.00 C ATOM 716 OH TYR A 47 7.095 -13.188 5.725 1.00 0.00 O ATOM 0 H TYR A 47 3.002 -11.086 8.100 1.00 0.00 H new ATOM 0 HA TYR A 47 3.744 -9.017 10.077 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.447 -8.496 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.790 -8.099 8.199 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.470 -10.839 9.233 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.513 -9.499 5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.802 -12.754 8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.849 -11.417 4.331 1.00 0.00 H new ATOM 0 HH TYR A 47 7.059 -13.145 4.747 1.00 0.00 H new ATOM 726 N GLN A 48 1.651 -7.790 10.124 1.00 0.00 N ATOM 727 CA GLN A 48 0.414 -7.032 10.198 1.00 0.00 C ATOM 728 C GLN A 48 0.633 -5.608 9.683 1.00 0.00 C ATOM 729 O GLN A 48 0.055 -4.658 10.209 1.00 0.00 O ATOM 730 CB GLN A 48 -0.137 -7.021 11.626 1.00 0.00 C ATOM 731 CG GLN A 48 0.996 -6.919 12.650 1.00 0.00 C ATOM 732 CD GLN A 48 1.425 -8.307 13.131 1.00 0.00 C ATOM 733 OE1 GLN A 48 1.833 -8.500 14.264 1.00 0.00 O ATOM 734 NE2 GLN A 48 1.311 -9.259 12.209 1.00 0.00 N ATOM 0 H GLN A 48 2.264 -7.686 10.933 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.326 -7.517 9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.820 -6.181 11.750 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.713 -7.929 11.805 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.848 -6.405 12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.670 -6.320 13.500 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.962 -9.029 11.279 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.573 -10.219 12.432 1.00 0.00 H new ATOM 743 N TYR A 49 1.469 -5.504 8.662 1.00 0.00 N ATOM 744 CA TYR A 49 1.771 -4.212 8.069 1.00 0.00 C ATOM 745 C TYR A 49 1.985 -4.338 6.560 1.00 0.00 C ATOM 746 O TYR A 49 2.953 -4.951 6.115 1.00 0.00 O ATOM 747 CB TYR A 49 3.075 -3.744 8.719 1.00 0.00 C ATOM 748 CG TYR A 49 3.441 -4.503 9.996 1.00 0.00 C ATOM 749 CD1 TYR A 49 4.167 -5.673 9.919 1.00 0.00 C ATOM 750 CD2 TYR A 49 3.046 -4.016 11.225 1.00 0.00 C ATOM 751 CE1 TYR A 49 4.512 -6.389 11.121 1.00 0.00 C ATOM 752 CE2 TYR A 49 3.390 -4.731 12.428 1.00 0.00 C ATOM 753 CZ TYR A 49 4.106 -5.881 12.316 1.00 0.00 C ATOM 754 OH TYR A 49 4.432 -6.556 13.451 1.00 0.00 O ATOM 0 H TYR A 49 1.948 -6.294 8.229 1.00 0.00 H new ATOM 0 HA TYR A 49 0.949 -3.514 8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.887 -3.851 7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.993 -2.682 8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.477 -6.053 8.957 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.479 -3.099 11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.079 -7.307 11.074 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.086 -4.362 13.396 1.00 0.00 H new ATOM 0 HH TYR A 49 4.078 -6.077 14.229 1.00 0.00 H new ATOM 764 N LEU A 50 1.064 -3.746 5.813 1.00 0.00 N ATOM 765 CA LEU A 50 1.139 -3.785 4.363 1.00 0.00 C ATOM 766 C LEU A 50 0.484 -2.526 3.789 1.00 0.00 C ATOM 767 O LEU A 50 -0.246 -1.827 4.491 1.00 0.00 O ATOM 768 CB LEU A 50 0.540 -5.087 3.828 1.00 0.00 C ATOM 769 CG LEU A 50 1.185 -6.379 4.335 1.00 0.00 C ATOM 770 CD1 LEU A 50 0.375 -7.601 3.900 1.00 0.00 C ATOM 771 CD2 LEU A 50 2.646 -6.471 3.891 1.00 0.00 C ATOM 0 H LEU A 50 0.262 -3.237 6.185 1.00 0.00 H new ATOM 0 HA LEU A 50 2.179 -3.783 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.519 -5.108 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.605 -5.074 2.740 1.00 0.00 H new ATOM 0 HG LEU A 50 1.180 -6.361 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.854 -8.506 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.635 -7.531 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.327 -7.637 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.082 -7.398 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.697 -6.458 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.202 -5.622 4.290 1.00 0.00 H new ATOM 783 N ILE A 51 0.767 -2.276 2.519 1.00 0.00 N ATOM 784 CA ILE A 51 0.214 -1.115 1.843 1.00 0.00 C ATOM 785 C ILE A 51 -0.661 -1.578 0.676 1.00 0.00 C ATOM 786 O ILE A 51 -0.520 -2.703 0.200 1.00 0.00 O ATOM 787 CB ILE A 51 1.330 -0.152 1.432 1.00 0.00 C ATOM 788 CG1 ILE A 51 2.694 -0.663 1.898 1.00 0.00 C ATOM 789 CG2 ILE A 51 1.046 1.263 1.937 1.00 0.00 C ATOM 790 CD1 ILE A 51 2.764 -0.728 3.425 1.00 0.00 C ATOM 0 H ILE A 51 1.372 -2.858 1.940 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.429 -0.551 2.519 1.00 0.00 H new ATOM 0 HB ILE A 51 1.358 -0.106 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.878 -1.653 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.480 -0.007 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.854 1.927 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.106 1.618 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.976 1.254 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.744 -1.095 3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.604 0.267 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.993 -1.403 3.796 1.00 0.00 H new ATOM 802 N ILE A 52 -1.543 -0.687 0.250 1.00 0.00 N ATOM 803 CA ILE A 52 -2.441 -0.990 -0.851 1.00 0.00 C ATOM 804 C ILE A 52 -2.716 0.288 -1.646 1.00 0.00 C ATOM 805 O ILE A 52 -2.908 1.356 -1.064 1.00 0.00 O ATOM 806 CB ILE A 52 -3.706 -1.679 -0.338 1.00 0.00 C ATOM 807 CG1 ILE A 52 -4.090 -1.158 1.049 1.00 0.00 C ATOM 808 CG2 ILE A 52 -3.548 -3.202 -0.356 1.00 0.00 C ATOM 809 CD1 ILE A 52 -5.342 -1.865 1.573 1.00 0.00 C ATOM 0 H ILE A 52 -1.655 0.246 0.648 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.976 -1.699 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.526 -1.433 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.263 -1.314 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.268 -0.084 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.462 -3.667 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.358 -3.536 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.712 -3.489 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.593 -1.476 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.173 -1.687 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.153 -2.936 1.642 1.00 0.00 H new ATOM 1105 N GLU A 72 -3.367 -12.667 -1.265 1.00 0.00 N ATOM 1106 CA GLU A 72 -3.353 -11.419 -0.521 1.00 0.00 C ATOM 1107 C GLU A 72 -4.216 -11.544 0.737 1.00 0.00 C ATOM 1108 O GLU A 72 -4.698 -12.627 1.059 1.00 0.00 O ATOM 1109 CB GLU A 72 -3.822 -10.254 -1.395 1.00 0.00 C ATOM 1110 CG GLU A 72 -2.644 -9.606 -2.124 1.00 0.00 C ATOM 1111 CD GLU A 72 -2.765 -9.797 -3.638 1.00 0.00 C ATOM 1112 OE1 GLU A 72 -3.791 -9.427 -4.228 1.00 0.00 O ATOM 1113 OE2 GLU A 72 -1.747 -10.351 -4.201 1.00 0.00 O ATOM 0 HA GLU A 72 -2.327 -11.210 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.552 -10.611 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.325 -9.510 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.607 -8.542 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.709 -10.042 -1.772 1.00 0.00 H new ATOM 1121 N LEU A 73 -4.384 -10.417 1.414 1.00 0.00 N ATOM 1122 CA LEU A 73 -5.180 -10.384 2.630 1.00 0.00 C ATOM 1123 C LEU A 73 -6.565 -10.968 2.343 1.00 0.00 C ATOM 1124 O LEU A 73 -7.224 -11.484 3.243 1.00 0.00 O ATOM 1125 CB LEU A 73 -5.216 -8.969 3.209 1.00 0.00 C ATOM 1126 CG LEU A 73 -6.064 -7.952 2.443 1.00 0.00 C ATOM 1127 CD1 LEU A 73 -5.535 -7.759 1.021 1.00 0.00 C ATOM 1128 CD2 LEU A 73 -7.542 -8.350 2.455 1.00 0.00 C ATOM 0 H LEU A 73 -3.982 -9.519 1.143 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.725 -11.006 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.588 -9.026 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.194 -8.594 3.262 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.985 -6.990 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.155 -7.031 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.507 -7.398 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.565 -8.710 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.122 -7.610 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.660 -9.327 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.898 -8.397 3.484 1.00 0.00 H new ATOM 1140 N ASP A 74 -6.965 -10.866 1.084 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.259 -11.379 0.666 1.00 0.00 C ATOM 1142 C ASP A 74 -8.465 -12.776 1.255 1.00 0.00 C ATOM 1143 O ASP A 74 -9.599 -13.207 1.458 1.00 0.00 O ATOM 1144 CB ASP A 74 -8.342 -11.490 -0.857 1.00 0.00 C ATOM 1145 CG ASP A 74 -9.117 -10.366 -1.549 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -9.966 -10.615 -2.417 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -8.813 -9.175 -1.156 1.00 0.00 O ATOM 0 H ASP A 74 -6.416 -10.436 0.340 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.025 -10.688 1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.329 -11.513 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.808 -12.442 -1.111 1.00 0.00 H new ATOM 1153 N ASP A 75 -7.350 -13.444 1.513 1.00 0.00 N ATOM 1154 CA ASP A 75 -7.393 -14.783 2.075 1.00 0.00 C ATOM 1155 C ASP A 75 -7.141 -14.706 3.581 1.00 0.00 C ATOM 1156 O ASP A 75 -7.694 -15.492 4.349 1.00 0.00 O ATOM 1157 CB ASP A 75 -6.313 -15.675 1.458 1.00 0.00 C ATOM 1158 CG ASP A 75 -6.738 -16.428 0.197 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -7.600 -15.962 -0.566 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -6.138 -17.554 0.005 1.00 0.00 O ATOM 0 H ASP A 75 -6.411 -13.083 1.343 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.374 -15.207 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.446 -15.058 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.992 -16.401 2.205 1.00 0.00 H new ATOM 1166 N VAL A 76 -6.302 -13.752 3.961 1.00 0.00 N ATOM 1167 CA VAL A 76 -5.971 -13.560 5.362 1.00 0.00 C ATOM 1168 C VAL A 76 -7.145 -12.885 6.072 1.00 0.00 C ATOM 1169 O VAL A 76 -7.754 -11.963 5.533 1.00 0.00 O ATOM 1170 CB VAL A 76 -4.664 -12.775 5.489 1.00 0.00 C ATOM 1171 CG1 VAL A 76 -4.143 -12.804 6.928 1.00 0.00 C ATOM 1172 CG2 VAL A 76 -3.610 -13.304 4.514 1.00 0.00 C ATOM 0 H VAL A 76 -5.842 -13.104 3.322 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.806 -14.521 5.850 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.871 -11.737 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.213 -12.239 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.884 -12.358 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.961 -13.836 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.691 -12.729 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.409 -14.354 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.978 -13.207 3.493 1.00 0.00 H new ATOM 1182 N ASP A 77 -7.428 -13.370 7.273 1.00 0.00 N ATOM 1183 CA ASP A 77 -8.519 -12.826 8.062 1.00 0.00 C ATOM 1184 C ASP A 77 -8.034 -11.578 8.802 1.00 0.00 C ATOM 1185 O ASP A 77 -8.207 -11.463 10.015 1.00 0.00 O ATOM 1186 CB ASP A 77 -9.004 -13.835 9.105 1.00 0.00 C ATOM 1187 CG ASP A 77 -10.037 -14.844 8.598 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -11.183 -14.874 9.067 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -9.617 -15.633 7.668 1.00 0.00 O ATOM 0 H ASP A 77 -6.920 -14.134 7.718 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.338 -12.588 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.142 -14.382 9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.434 -13.289 9.945 1.00 0.00 H new ATOM 1195 N PHE A 78 -7.433 -10.674 8.042 1.00 0.00 N ATOM 1196 CA PHE A 78 -6.921 -9.439 8.612 1.00 0.00 C ATOM 1197 C PHE A 78 -7.986 -8.741 9.458 1.00 0.00 C ATOM 1198 O PHE A 78 -8.840 -8.032 8.927 1.00 0.00 O ATOM 1199 CB PHE A 78 -6.540 -8.531 7.439 1.00 0.00 C ATOM 1200 CG PHE A 78 -5.041 -8.492 7.144 1.00 0.00 C ATOM 1201 CD1 PHE A 78 -4.273 -9.593 7.367 1.00 0.00 C ATOM 1202 CD2 PHE A 78 -4.473 -7.356 6.656 1.00 0.00 C ATOM 1203 CE1 PHE A 78 -2.881 -9.557 7.092 1.00 0.00 C ATOM 1204 CE2 PHE A 78 -3.080 -7.320 6.381 1.00 0.00 C ATOM 1205 CZ PHE A 78 -2.314 -8.421 6.605 1.00 0.00 C ATOM 0 H PHE A 78 -7.289 -10.772 7.037 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.068 -9.652 9.257 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.067 -8.868 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.885 -7.519 7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.723 -10.495 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.081 -6.482 6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.272 -10.431 7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.629 -6.418 5.994 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.255 -8.393 6.396 1.00 0.00 H new ATOM 1215 N ASN A 79 -7.901 -8.965 10.761 1.00 0.00 N ATOM 1216 CA ASN A 79 -8.847 -8.365 11.686 1.00 0.00 C ATOM 1217 C ASN A 79 -8.086 -7.773 12.875 1.00 0.00 C ATOM 1218 O ASN A 79 -8.299 -8.178 14.016 1.00 0.00 O ATOM 1219 CB ASN A 79 -9.827 -9.409 12.225 1.00 0.00 C ATOM 1220 CG ASN A 79 -11.115 -9.430 11.399 1.00 0.00 C ATOM 1221 OD1 ASN A 79 -12.206 -9.206 11.895 1.00 0.00 O ATOM 1222 ND2 ASN A 79 -10.926 -9.709 10.111 1.00 0.00 N ATOM 0 H ASN A 79 -7.192 -9.554 11.198 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.400 -7.593 11.150 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.362 -10.394 12.205 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.062 -9.189 13.266 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.722 -9.745 9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.985 -9.887 9.760 1.00 0.00 H new ATOM 1229 N GLY A 80 -7.214 -6.825 12.566 1.00 0.00 N ATOM 1230 CA GLY A 80 -6.421 -6.173 13.594 1.00 0.00 C ATOM 1231 C GLY A 80 -4.968 -6.010 13.144 1.00 0.00 C ATOM 1232 O GLY A 80 -4.052 -6.505 13.800 1.00 0.00 O ATOM 0 H GLY A 80 -7.039 -6.493 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.847 -5.196 13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.458 -6.759 14.513 1.00 0.00 H new ATOM 1236 N LYS A 81 -4.801 -5.314 12.029 1.00 0.00 N ATOM 1237 CA LYS A 81 -3.475 -5.079 11.484 1.00 0.00 C ATOM 1238 C LYS A 81 -3.408 -3.663 10.909 1.00 0.00 C ATOM 1239 O LYS A 81 -4.434 -3.001 10.761 1.00 0.00 O ATOM 1240 CB LYS A 81 -3.110 -6.170 10.476 1.00 0.00 C ATOM 1241 CG LYS A 81 -4.359 -6.898 9.977 1.00 0.00 C ATOM 1242 CD LYS A 81 -4.635 -8.152 10.811 1.00 0.00 C ATOM 1243 CE LYS A 81 -3.754 -9.317 10.356 1.00 0.00 C ATOM 1244 NZ LYS A 81 -2.739 -9.634 11.385 1.00 0.00 N ATOM 0 H LYS A 81 -5.563 -4.905 11.488 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.723 -5.139 12.271 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.581 -5.727 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.429 -6.884 10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.218 -6.229 10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.229 -7.174 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.450 -7.941 11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.685 -8.429 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.372 -10.194 10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.261 -9.063 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.825 -9.819 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.643 -8.829 12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.036 -10.477 11.917 1.00 0.00 H new ATOM 1258 N LEU A 82 -2.191 -3.241 10.601 1.00 0.00 N ATOM 1259 CA LEU A 82 -1.977 -1.916 10.044 1.00 0.00 C ATOM 1260 C LEU A 82 -1.855 -2.020 8.522 1.00 0.00 C ATOM 1261 O LEU A 82 -1.080 -2.827 8.011 1.00 0.00 O ATOM 1262 CB LEU A 82 -0.776 -1.242 10.712 1.00 0.00 C ATOM 1263 CG LEU A 82 0.572 -1.428 10.013 1.00 0.00 C ATOM 1264 CD1 LEU A 82 0.569 -0.771 8.631 1.00 0.00 C ATOM 1265 CD2 LEU A 82 1.717 -0.918 10.888 1.00 0.00 C ATOM 0 H LEU A 82 -1.343 -3.793 10.726 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.832 -1.273 10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.979 -0.174 10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.691 -1.623 11.730 1.00 0.00 H new ATOM 0 HG LEU A 82 0.734 -2.495 9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.539 -0.918 8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.209 -1.223 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.375 0.296 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.664 -1.062 10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.573 0.143 11.093 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.731 -1.471 11.827 1.00 0.00 H new ATOM 1277 N VAL A 83 -2.635 -1.193 7.840 1.00 0.00 N ATOM 1278 CA VAL A 83 -2.624 -1.182 6.388 1.00 0.00 C ATOM 1279 C VAL A 83 -2.645 0.264 5.892 1.00 0.00 C ATOM 1280 O VAL A 83 -3.468 1.064 6.336 1.00 0.00 O ATOM 1281 CB VAL A 83 -3.789 -2.016 5.850 1.00 0.00 C ATOM 1282 CG1 VAL A 83 -3.373 -3.474 5.649 1.00 0.00 C ATOM 1283 CG2 VAL A 83 -5.007 -1.914 6.772 1.00 0.00 C ATOM 0 H VAL A 83 -3.278 -0.526 8.267 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.711 -1.641 6.010 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.070 -1.612 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.219 -4.044 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.550 -3.523 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.053 -3.896 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.821 -2.516 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.744 -2.280 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.325 -0.874 6.842 1.00 0.00 H new ATOM 1293 N ALA A 84 -1.731 0.557 4.978 1.00 0.00 N ATOM 1294 CA ALA A 84 -1.634 1.894 4.420 1.00 0.00 C ATOM 1295 C ALA A 84 -2.287 1.912 3.036 1.00 0.00 C ATOM 1296 O ALA A 84 -2.165 0.953 2.275 1.00 0.00 O ATOM 1297 CB ALA A 84 -0.168 2.325 4.376 1.00 0.00 C ATOM 0 H ALA A 84 -1.052 -0.109 4.611 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.166 2.610 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.096 3.329 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.242 2.323 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.397 1.631 3.754 1.00 0.00 H new ATOM 1303 N TYR A 85 -2.966 3.014 2.751 1.00 0.00 N ATOM 1304 CA TYR A 85 -3.639 3.168 1.472 1.00 0.00 C ATOM 1305 C TYR A 85 -3.126 4.402 0.728 1.00 0.00 C ATOM 1306 O TYR A 85 -2.806 5.416 1.347 1.00 0.00 O ATOM 1307 CB TYR A 85 -5.123 3.364 1.797 1.00 0.00 C ATOM 1308 CG TYR A 85 -6.030 2.263 1.245 1.00 0.00 C ATOM 1309 CD1 TYR A 85 -5.893 1.847 -0.065 1.00 0.00 C ATOM 1310 CD2 TYR A 85 -6.985 1.684 2.056 1.00 0.00 C ATOM 1311 CE1 TYR A 85 -6.748 0.810 -0.584 1.00 0.00 C ATOM 1312 CE2 TYR A 85 -7.839 0.649 1.536 1.00 0.00 C ATOM 1313 CZ TYR A 85 -7.678 0.262 0.243 1.00 0.00 C ATOM 1314 OH TYR A 85 -8.485 -0.716 -0.248 1.00 0.00 O ATOM 0 H TYR A 85 -3.064 3.808 3.383 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.461 2.300 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.244 3.412 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.449 4.324 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.145 2.299 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.091 2.008 3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.652 0.476 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.592 0.190 2.160 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.100 -1.016 0.454 1.00 0.00 H new ATOM 1324 N PHE A 86 -3.063 4.277 -0.589 1.00 0.00 N ATOM 1325 CA PHE A 86 -2.594 5.370 -1.424 1.00 0.00 C ATOM 1326 C PHE A 86 -3.759 6.257 -1.869 1.00 0.00 C ATOM 1327 O PHE A 86 -3.682 7.481 -1.778 1.00 0.00 O ATOM 1328 CB PHE A 86 -1.945 4.742 -2.659 1.00 0.00 C ATOM 1329 CG PHE A 86 -1.278 5.755 -3.593 1.00 0.00 C ATOM 1330 CD1 PHE A 86 -2.038 6.661 -4.268 1.00 0.00 C ATOM 1331 CD2 PHE A 86 0.072 5.749 -3.750 1.00 0.00 C ATOM 1332 CE1 PHE A 86 -1.421 7.600 -5.135 1.00 0.00 C ATOM 1333 CE2 PHE A 86 0.690 6.688 -4.618 1.00 0.00 C ATOM 1334 CZ PHE A 86 -0.070 7.594 -5.291 1.00 0.00 C ATOM 0 H PHE A 86 -3.329 3.435 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.892 5.990 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.200 4.015 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.704 4.193 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.111 6.665 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.675 5.030 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.024 8.319 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.763 6.683 -4.744 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.400 8.309 -5.950 1.00 0.00 H new ATOM 1658 N ILE A 109 -12.004 -5.839 6.246 1.00 0.00 N ATOM 1659 CA ILE A 109 -10.606 -5.612 6.570 1.00 0.00 C ATOM 1660 C ILE A 109 -10.369 -4.113 6.773 1.00 0.00 C ATOM 1661 O ILE A 109 -9.525 -3.717 7.574 1.00 0.00 O ATOM 1662 CB ILE A 109 -9.701 -6.238 5.508 1.00 0.00 C ATOM 1663 CG1 ILE A 109 -9.959 -7.742 5.385 1.00 0.00 C ATOM 1664 CG2 ILE A 109 -8.229 -5.932 5.791 1.00 0.00 C ATOM 1665 CD1 ILE A 109 -10.883 -8.045 4.204 1.00 0.00 C ATOM 0 HA ILE A 109 -10.349 -6.106 7.507 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.944 -5.789 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.013 -8.267 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.407 -8.114 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.608 -6.389 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.075 -4.853 5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.954 -6.336 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -11.050 -9.120 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -11.837 -7.538 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.421 -7.693 3.281 1.00 0.00 H new ATOM 1677 N SER A 110 -11.131 -3.322 6.033 1.00 0.00 N ATOM 1678 CA SER A 110 -11.015 -1.876 6.120 1.00 0.00 C ATOM 1679 C SER A 110 -10.805 -1.456 7.576 1.00 0.00 C ATOM 1680 O SER A 110 -9.684 -1.155 7.983 1.00 0.00 O ATOM 1681 CB SER A 110 -12.254 -1.188 5.543 1.00 0.00 C ATOM 1682 OG SER A 110 -12.201 -1.098 4.122 1.00 0.00 O ATOM 0 H SER A 110 -11.831 -3.655 5.370 1.00 0.00 H new ATOM 0 HA SER A 110 -10.153 -1.566 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.146 -1.740 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.344 -0.188 5.967 1.00 0.00 H new ATOM 0 HG SER A 110 -13.010 -0.655 3.792 1.00 0.00 H new ATOM 1688 N GLN A 111 -11.901 -1.449 8.321 1.00 0.00 N ATOM 1689 CA GLN A 111 -11.849 -1.071 9.723 1.00 0.00 C ATOM 1690 C GLN A 111 -11.676 -2.313 10.601 1.00 0.00 C ATOM 1691 O GLN A 111 -10.873 -2.309 11.534 1.00 0.00 O ATOM 1692 CB GLN A 111 -13.100 -0.287 10.126 1.00 0.00 C ATOM 1693 CG GLN A 111 -13.358 0.869 9.156 1.00 0.00 C ATOM 1694 CD GLN A 111 -13.225 2.219 9.863 1.00 0.00 C ATOM 1695 OE1 GLN A 111 -13.993 2.565 10.746 1.00 0.00 O ATOM 1696 NE2 GLN A 111 -12.209 2.959 9.429 1.00 0.00 N ATOM 0 H GLN A 111 -12.829 -1.699 7.980 1.00 0.00 H new ATOM 0 HA GLN A 111 -10.987 -0.420 9.872 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -13.962 -0.954 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.980 0.102 11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -12.652 0.817 8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -14.357 0.775 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -11.604 2.609 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -12.035 3.877 9.839 1.00 0.00 H new ATOM 1705 N ARG A 112 -12.440 -3.343 10.272 1.00 0.00 N ATOM 1706 CA ARG A 112 -12.378 -4.588 11.019 1.00 0.00 C ATOM 1707 C ARG A 112 -10.961 -5.162 10.980 1.00 0.00 C ATOM 1708 O ARG A 112 -10.543 -5.852 11.909 1.00 0.00 O ATOM 1709 CB ARG A 112 -13.356 -5.619 10.450 1.00 0.00 C ATOM 1710 CG ARG A 112 -13.807 -6.602 11.532 1.00 0.00 C ATOM 1711 CD ARG A 112 -15.211 -6.262 12.032 1.00 0.00 C ATOM 1712 NE ARG A 112 -15.952 -7.504 12.349 1.00 0.00 N ATOM 1713 CZ ARG A 112 -17.262 -7.543 12.672 1.00 0.00 C ATOM 1714 NH1 ARG A 112 -17.990 -6.408 12.724 1.00 0.00 N ATOM 1715 NH2 ARG A 112 -17.821 -8.710 12.937 1.00 0.00 N ATOM 0 H ARG A 112 -13.105 -3.342 9.499 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.655 -4.371 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.224 -5.110 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -12.882 -6.164 9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.795 -7.617 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.105 -6.578 12.365 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -15.147 -5.631 12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.748 -5.692 11.273 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.440 -8.386 12.322 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -17.551 -5.511 12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -18.979 -6.447 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.264 -9.563 12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.810 -8.758 13.183 1.00 0.00 H new ATOM 1729 N GLY A 113 -10.264 -4.857 9.897 1.00 0.00 N ATOM 1730 CA GLY A 113 -8.902 -5.335 9.725 1.00 0.00 C ATOM 1731 C GLY A 113 -7.907 -4.428 10.451 1.00 0.00 C ATOM 1732 O GLY A 113 -6.874 -4.061 9.895 1.00 0.00 O ATOM 0 H GLY A 113 -10.616 -4.285 9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.819 -6.352 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.657 -5.373 8.663 1.00 0.00 H new ATOM 1736 N GLY A 114 -8.254 -4.092 11.686 1.00 0.00 N ATOM 1737 CA GLY A 114 -7.405 -3.234 12.495 1.00 0.00 C ATOM 1738 C GLY A 114 -7.640 -1.760 12.162 1.00 0.00 C ATOM 1739 O GLY A 114 -8.710 -1.220 12.437 1.00 0.00 O ATOM 0 H GLY A 114 -9.112 -4.399 12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.607 -3.409 13.552 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.358 -3.487 12.325 1.00 0.00 H new ATOM 1743 N LYS A 115 -6.620 -1.150 11.575 1.00 0.00 N ATOM 1744 CA LYS A 115 -6.702 0.252 11.202 1.00 0.00 C ATOM 1745 C LYS A 115 -6.184 0.427 9.774 1.00 0.00 C ATOM 1746 O LYS A 115 -5.275 -0.285 9.347 1.00 0.00 O ATOM 1747 CB LYS A 115 -5.976 1.123 12.230 1.00 0.00 C ATOM 1748 CG LYS A 115 -6.951 1.659 13.280 1.00 0.00 C ATOM 1749 CD LYS A 115 -7.429 3.067 12.918 1.00 0.00 C ATOM 1750 CE LYS A 115 -8.607 3.489 13.799 1.00 0.00 C ATOM 1751 NZ LYS A 115 -8.179 4.508 14.783 1.00 0.00 N ATOM 0 H LYS A 115 -5.733 -1.601 11.349 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.739 0.588 11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.194 0.541 12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.486 1.955 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.808 0.990 13.361 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.466 1.676 14.256 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.609 3.775 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.726 3.096 11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.408 3.889 13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.010 2.620 14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.990 4.783 15.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.430 4.114 15.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.816 5.344 14.282 1.00 0.00 H new ATOM 1765 N THR A 116 -6.783 1.378 9.072 1.00 0.00 N ATOM 1766 CA THR A 116 -6.395 1.654 7.699 1.00 0.00 C ATOM 1767 C THR A 116 -5.858 3.082 7.573 1.00 0.00 C ATOM 1768 O THR A 116 -6.557 4.041 7.896 1.00 0.00 O ATOM 1769 CB THR A 116 -7.601 1.376 6.801 1.00 0.00 C ATOM 1770 OG1 THR A 116 -8.723 1.719 7.612 1.00 0.00 O ATOM 1771 CG2 THR A 116 -7.790 -0.115 6.517 1.00 0.00 C ATOM 0 H THR A 116 -7.535 1.968 9.429 1.00 0.00 H new ATOM 0 HA THR A 116 -5.579 1.005 7.381 1.00 0.00 H new ATOM 0 HB THR A 116 -7.483 1.912 5.859 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.216 0.906 7.849 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.660 -0.256 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 116 -6.903 -0.505 6.017 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.942 -0.648 7.456 1.00 0.00 H new ATOM 1779 N VAL A 117 -4.624 3.176 7.103 1.00 0.00 N ATOM 1780 CA VAL A 117 -3.987 4.470 6.929 1.00 0.00 C ATOM 1781 C VAL A 117 -3.988 4.840 5.445 1.00 0.00 C ATOM 1782 O VAL A 117 -4.421 4.052 4.605 1.00 0.00 O ATOM 1783 CB VAL A 117 -2.583 4.448 7.538 1.00 0.00 C ATOM 1784 CG1 VAL A 117 -1.605 3.696 6.633 1.00 0.00 C ATOM 1785 CG2 VAL A 117 -2.086 5.866 7.823 1.00 0.00 C ATOM 0 H VAL A 117 -4.048 2.377 6.837 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.545 5.244 7.457 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.638 3.916 8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.615 3.695 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.946 2.669 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.557 4.188 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.086 5.821 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.054 6.434 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.763 6.355 8.524 1.00 0.00 H new ATOM 1795 N GLY A 118 -3.499 6.040 5.166 1.00 0.00 N ATOM 1796 CA GLY A 118 -3.441 6.524 3.798 1.00 0.00 C ATOM 1797 C GLY A 118 -4.268 7.799 3.631 1.00 0.00 C ATOM 1798 O GLY A 118 -4.897 8.005 2.595 1.00 0.00 O ATOM 0 H GLY A 118 -3.140 6.691 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.405 6.720 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.812 5.755 3.121 1.00 0.00 H new ATOM 2336 N ASP A 154 8.671 12.713 -7.796 1.00 0.00 N ATOM 2337 CA ASP A 154 8.937 11.922 -6.608 1.00 0.00 C ATOM 2338 C ASP A 154 7.613 11.512 -5.965 1.00 0.00 C ATOM 2339 O ASP A 154 7.339 11.864 -4.818 1.00 0.00 O ATOM 2340 CB ASP A 154 9.735 12.728 -5.579 1.00 0.00 C ATOM 2341 CG ASP A 154 10.943 13.479 -6.140 1.00 0.00 C ATOM 2342 OD1 ASP A 154 11.212 13.441 -7.351 1.00 0.00 O ATOM 2343 OD2 ASP A 154 11.631 14.134 -5.268 1.00 0.00 O ATOM 0 HA ASP A 154 9.513 11.047 -6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 154 9.067 13.448 -5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 154 10.079 12.051 -4.797 1.00 0.00 H new ATOM 2349 N ARG A 155 6.824 10.772 -6.729 1.00 0.00 N ATOM 2350 CA ARG A 155 5.532 10.311 -6.248 1.00 0.00 C ATOM 2351 C ARG A 155 5.715 9.152 -5.266 1.00 0.00 C ATOM 2352 O ARG A 155 5.096 9.131 -4.203 1.00 0.00 O ATOM 2353 CB ARG A 155 4.644 9.852 -7.407 1.00 0.00 C ATOM 2354 CG ARG A 155 3.252 9.460 -6.908 1.00 0.00 C ATOM 2355 CD ARG A 155 2.607 8.432 -7.840 1.00 0.00 C ATOM 2356 NE ARG A 155 2.493 8.988 -9.206 1.00 0.00 N ATOM 2357 CZ ARG A 155 2.164 8.261 -10.295 1.00 0.00 C ATOM 2358 NH1 ARG A 155 1.912 6.939 -10.185 1.00 0.00 N ATOM 2359 NH2 ARG A 155 2.092 8.861 -11.469 1.00 0.00 N ATOM 0 H ARG A 155 7.054 10.480 -7.679 1.00 0.00 H new ATOM 0 HA ARG A 155 5.048 11.147 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 155 4.559 10.651 -8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 155 5.106 9.003 -7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 155 3.325 9.049 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 155 2.621 10.346 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 155 3.204 7.520 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 155 1.620 8.159 -7.466 1.00 0.00 H new ATOM 0 HE ARG A 155 2.674 9.984 -9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 155 1.970 6.483 -9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 155 1.664 6.397 -11.012 1.00 0.00 H new ATOM 0 HH21 ARG A 155 2.284 9.860 -11.544 1.00 0.00 H new ATOM 0 HH22 ARG A 155 1.845 8.325 -12.301 1.00 0.00 H new ATOM 2373 N ILE A 156 6.569 8.216 -5.655 1.00 0.00 N ATOM 2374 CA ILE A 156 6.840 7.057 -4.823 1.00 0.00 C ATOM 2375 C ILE A 156 7.201 7.522 -3.410 1.00 0.00 C ATOM 2376 O ILE A 156 6.754 6.935 -2.427 1.00 0.00 O ATOM 2377 CB ILE A 156 7.906 6.172 -5.469 1.00 0.00 C ATOM 2378 CG1 ILE A 156 9.275 6.854 -5.446 1.00 0.00 C ATOM 2379 CG2 ILE A 156 7.495 5.761 -6.885 1.00 0.00 C ATOM 2380 CD1 ILE A 156 9.336 7.997 -6.461 1.00 0.00 C ATOM 0 H ILE A 156 7.082 8.237 -6.536 1.00 0.00 H new ATOM 0 HA ILE A 156 5.950 6.434 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 156 7.992 5.259 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 156 9.476 7.240 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 156 10.053 6.124 -5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 156 8.271 5.132 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 156 6.558 5.206 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 156 7.363 6.652 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 156 10.320 8.465 -6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 156 9.158 7.604 -7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 156 8.573 8.738 -6.221 1.00 0.00 H new ATOM 2392 N LYS A 157 8.006 8.574 -3.355 1.00 0.00 N ATOM 2393 CA LYS A 157 8.433 9.123 -2.080 1.00 0.00 C ATOM 2394 C LYS A 157 7.232 9.759 -1.378 1.00 0.00 C ATOM 2395 O LYS A 157 7.167 9.780 -0.148 1.00 0.00 O ATOM 2396 CB LYS A 157 9.608 10.082 -2.276 1.00 0.00 C ATOM 2397 CG LYS A 157 10.534 9.594 -3.393 1.00 0.00 C ATOM 2398 CD LYS A 157 11.936 10.188 -3.242 1.00 0.00 C ATOM 2399 CE LYS A 157 12.989 9.273 -3.871 1.00 0.00 C ATOM 2400 NZ LYS A 157 12.693 9.050 -5.303 1.00 0.00 N ATOM 0 H LYS A 157 8.373 9.060 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 157 8.803 8.331 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 157 9.234 11.077 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 157 10.169 10.170 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 157 10.592 8.506 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 157 10.119 9.873 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 157 11.972 11.169 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 157 12.161 10.335 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 157 13.978 9.719 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 157 13.011 8.318 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 13.579 9.064 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 12.228 8.127 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 12.063 9.802 -5.648 1.00 0.00 H new ATOM 2414 N SER A 158 6.311 10.263 -2.185 1.00 0.00 N ATOM 2415 CA SER A 158 5.115 10.898 -1.657 1.00 0.00 C ATOM 2416 C SER A 158 4.219 9.852 -0.992 1.00 0.00 C ATOM 2417 O SER A 158 3.866 9.985 0.180 1.00 0.00 O ATOM 2418 CB SER A 158 4.348 11.631 -2.757 1.00 0.00 C ATOM 2419 OG SER A 158 4.551 13.041 -2.701 1.00 0.00 O ATOM 0 H SER A 158 6.369 10.245 -3.203 1.00 0.00 H new ATOM 0 HA SER A 158 5.419 11.634 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 158 4.665 11.257 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 158 3.284 11.414 -2.663 1.00 0.00 H new ATOM 0 HG SER A 158 4.046 13.473 -3.421 1.00 0.00 H new ATOM 2425 N TRP A 159 3.876 8.833 -1.768 1.00 0.00 N ATOM 2426 CA TRP A 159 3.026 7.766 -1.268 1.00 0.00 C ATOM 2427 C TRP A 159 3.770 7.063 -0.129 1.00 0.00 C ATOM 2428 O TRP A 159 3.240 6.928 0.972 1.00 0.00 O ATOM 2429 CB TRP A 159 2.623 6.813 -2.394 1.00 0.00 C ATOM 2430 CG TRP A 159 1.738 5.650 -1.941 1.00 0.00 C ATOM 2431 CD1 TRP A 159 0.497 5.705 -1.440 1.00 0.00 C ATOM 2432 CD2 TRP A 159 2.081 4.248 -1.966 1.00 0.00 C ATOM 2433 NE1 TRP A 159 0.015 4.445 -1.142 1.00 0.00 N ATOM 2434 CE2 TRP A 159 1.009 3.532 -1.471 1.00 0.00 C ATOM 2435 CE3 TRP A 159 3.257 3.607 -2.391 1.00 0.00 C ATOM 2436 CZ2 TRP A 159 1.007 2.138 -1.357 1.00 0.00 C ATOM 2437 CZ3 TRP A 159 3.239 2.213 -2.270 1.00 0.00 C ATOM 2438 CH2 TRP A 159 2.169 1.476 -1.775 1.00 0.00 C ATOM 0 H TRP A 159 4.171 8.724 -2.738 1.00 0.00 H new ATOM 0 HA TRP A 159 2.091 8.169 -0.878 1.00 0.00 H new ATOM 0 HB2 TRP A 159 2.096 7.378 -3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 159 3.525 6.411 -2.856 1.00 0.00 H new ATOM 0 HD1 TRP A 159 -0.057 6.619 -1.288 1.00 0.00 H new ATOM 0 HE1 TRP A 159 -0.902 4.226 -0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 159 4.107 4.147 -2.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 159 0.155 1.600 -0.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 159 4.119 1.671 -2.583 1.00 0.00 H new ATOM 0 HH2 TRP A 159 2.233 0.400 -1.713 1.00 0.00 H new ATOM 2449 N VAL A 160 4.986 6.636 -0.434 1.00 0.00 N ATOM 2450 CA VAL A 160 5.808 5.953 0.550 1.00 0.00 C ATOM 2451 C VAL A 160 5.851 6.781 1.836 1.00 0.00 C ATOM 2452 O VAL A 160 5.613 6.256 2.923 1.00 0.00 O ATOM 2453 CB VAL A 160 7.197 5.676 -0.030 1.00 0.00 C ATOM 2454 CG1 VAL A 160 8.164 5.212 1.061 1.00 0.00 C ATOM 2455 CG2 VAL A 160 7.123 4.657 -1.167 1.00 0.00 C ATOM 0 H VAL A 160 5.422 6.750 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 160 5.377 4.984 0.802 1.00 0.00 H new ATOM 0 HB VAL A 160 7.580 6.609 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 160 9.144 5.022 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.252 5.987 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.787 4.296 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 160 8.123 4.478 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.709 3.722 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.484 5.043 -1.961 1.00 0.00 H new ATOM 2465 N ALA A 161 6.154 8.059 1.669 1.00 0.00 N ATOM 2466 CA ALA A 161 6.231 8.964 2.802 1.00 0.00 C ATOM 2467 C ALA A 161 4.852 9.076 3.455 1.00 0.00 C ATOM 2468 O ALA A 161 4.747 9.269 4.665 1.00 0.00 O ATOM 2469 CB ALA A 161 6.767 10.320 2.339 1.00 0.00 C ATOM 0 H ALA A 161 6.349 8.490 0.765 1.00 0.00 H new ATOM 0 HA ALA A 161 6.922 8.579 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 161 6.824 10.998 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 161 7.761 10.191 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 161 6.098 10.738 1.586 1.00 0.00 H new ATOM 2475 N GLN A 162 3.827 8.948 2.625 1.00 0.00 N ATOM 2476 CA GLN A 162 2.459 9.031 3.106 1.00 0.00 C ATOM 2477 C GLN A 162 2.204 7.962 4.170 1.00 0.00 C ATOM 2478 O GLN A 162 1.802 8.278 5.290 1.00 0.00 O ATOM 2479 CB GLN A 162 1.462 8.904 1.951 1.00 0.00 C ATOM 2480 CG GLN A 162 0.375 9.976 2.044 1.00 0.00 C ATOM 2481 CD GLN A 162 -0.864 9.570 1.246 1.00 0.00 C ATOM 2482 OE1 GLN A 162 -0.785 8.937 0.206 1.00 0.00 O ATOM 2483 NE2 GLN A 162 -2.012 9.968 1.788 1.00 0.00 N ATOM 0 H GLN A 162 3.917 8.787 1.622 1.00 0.00 H new ATOM 0 HA GLN A 162 2.314 10.011 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 162 1.988 8.996 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 162 1.004 7.915 1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 162 0.104 10.135 3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 162 0.760 10.923 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -2.008 10.495 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -2.896 9.746 1.330 1.00 0.00 H new ATOM 2492 N LEU A 163 2.447 6.719 3.785 1.00 0.00 N ATOM 2493 CA LEU A 163 2.248 5.602 4.693 1.00 0.00 C ATOM 2494 C LEU A 163 3.377 5.582 5.724 1.00 0.00 C ATOM 2495 O LEU A 163 3.124 5.585 6.929 1.00 0.00 O ATOM 2496 CB LEU A 163 2.108 4.294 3.910 1.00 0.00 C ATOM 2497 CG LEU A 163 2.931 4.190 2.624 1.00 0.00 C ATOM 2498 CD1 LEU A 163 3.496 2.779 2.447 1.00 0.00 C ATOM 2499 CD2 LEU A 163 2.111 4.635 1.412 1.00 0.00 C ATOM 0 H LEU A 163 2.780 6.460 2.856 1.00 0.00 H new ATOM 0 HA LEU A 163 1.314 5.720 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 163 2.389 3.470 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 163 1.057 4.156 3.657 1.00 0.00 H new ATOM 0 HG LEU A 163 3.780 4.869 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 163 4.077 2.732 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 163 4.138 2.535 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 163 2.676 2.063 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 163 2.719 4.552 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 163 1.230 4.000 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 163 1.799 5.671 1.544 1.00 0.00 H new ATOM 2511 N LYS A 164 4.601 5.562 5.216 1.00 0.00 N ATOM 2512 CA LYS A 164 5.770 5.543 6.079 1.00 0.00 C ATOM 2513 C LYS A 164 5.581 6.555 7.210 1.00 0.00 C ATOM 2514 O LYS A 164 5.596 6.189 8.385 1.00 0.00 O ATOM 2515 CB LYS A 164 7.044 5.765 5.261 1.00 0.00 C ATOM 2516 CG LYS A 164 7.361 4.545 4.395 1.00 0.00 C ATOM 2517 CD LYS A 164 7.407 3.270 5.241 1.00 0.00 C ATOM 2518 CE LYS A 164 8.176 3.503 6.543 1.00 0.00 C ATOM 2519 NZ LYS A 164 8.144 2.289 7.389 1.00 0.00 N ATOM 0 H LYS A 164 4.808 5.559 4.217 1.00 0.00 H new ATOM 0 HA LYS A 164 5.884 4.564 6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 164 6.925 6.644 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 164 7.880 5.966 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 164 6.606 4.442 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 164 8.319 4.689 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 164 6.392 2.943 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 164 7.881 2.469 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.209 3.770 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 164 7.740 4.342 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 8.256 2.558 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 7.234 1.801 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 8.919 1.653 7.113 1.00 0.00 H new ATOM 2533 N SER A 165 5.407 7.809 6.817 1.00 0.00 N ATOM 2534 CA SER A 165 5.217 8.876 7.784 1.00 0.00 C ATOM 2535 C SER A 165 4.042 8.545 8.705 1.00 0.00 C ATOM 2536 O SER A 165 4.146 8.680 9.923 1.00 0.00 O ATOM 2537 CB SER A 165 4.981 10.216 7.085 1.00 0.00 C ATOM 2538 OG SER A 165 6.048 10.552 6.200 1.00 0.00 O ATOM 0 H SER A 165 5.394 8.109 5.842 1.00 0.00 H new ATOM 0 HA SER A 165 6.125 8.962 8.381 1.00 0.00 H new ATOM 0 HB2 SER A 165 4.046 10.174 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 165 4.870 11.001 7.833 1.00 0.00 H new ATOM 0 HG SER A 165 5.828 10.253 5.293 1.00 0.00 H new ATOM 2544 N GLU A 166 2.951 8.117 8.088 1.00 0.00 N ATOM 2545 CA GLU A 166 1.757 7.764 8.838 1.00 0.00 C ATOM 2546 C GLU A 166 2.090 6.719 9.905 1.00 0.00 C ATOM 2547 O GLU A 166 2.169 7.038 11.089 1.00 0.00 O ATOM 2548 CB GLU A 166 0.652 7.262 7.906 1.00 0.00 C ATOM 2549 CG GLU A 166 -0.450 8.312 7.747 1.00 0.00 C ATOM 2550 CD GLU A 166 -1.378 8.322 8.963 1.00 0.00 C ATOM 2551 OE1 GLU A 166 -2.577 8.605 8.827 1.00 0.00 O ATOM 2552 OE2 GLU A 166 -0.812 8.019 10.084 1.00 0.00 O ATOM 0 H GLU A 166 2.868 8.006 7.077 1.00 0.00 H new ATOM 0 HA GLU A 166 1.387 8.660 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 166 1.075 7.023 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 166 0.227 6.340 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -0.002 9.298 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -1.028 8.105 6.846 1.00 0.00 H new ATOM 2560 N PHE A 167 2.275 5.489 9.447 1.00 0.00 N ATOM 2561 CA PHE A 167 2.599 4.395 10.347 1.00 0.00 C ATOM 2562 C PHE A 167 3.592 4.844 11.420 1.00 0.00 C ATOM 2563 O PHE A 167 3.570 4.339 12.541 1.00 0.00 O ATOM 2564 CB PHE A 167 3.245 3.297 9.500 1.00 0.00 C ATOM 2565 CG PHE A 167 2.272 2.586 8.557 1.00 0.00 C ATOM 2566 CD1 PHE A 167 1.000 2.326 8.963 1.00 0.00 C ATOM 2567 CD2 PHE A 167 2.679 2.211 7.315 1.00 0.00 C ATOM 2568 CE1 PHE A 167 0.096 1.665 8.087 1.00 0.00 C ATOM 2569 CE2 PHE A 167 1.777 1.552 6.440 1.00 0.00 C ATOM 2570 CZ PHE A 167 0.505 1.292 6.844 1.00 0.00 C ATOM 0 H PHE A 167 2.207 5.226 8.464 1.00 0.00 H new ATOM 0 HA PHE A 167 1.696 4.045 10.848 1.00 0.00 H new ATOM 0 HB2 PHE A 167 4.052 3.734 8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 167 3.697 2.559 10.163 1.00 0.00 H new ATOM 0 HD1 PHE A 167 0.677 2.622 9.950 1.00 0.00 H new ATOM 0 HD2 PHE A 167 3.690 2.415 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -0.914 1.459 8.408 1.00 0.00 H new ATOM 0 HE2 PHE A 167 2.101 1.257 5.453 1.00 0.00 H new ATOM 0 HZ PHE A 167 -0.181 0.789 6.178 1.00 0.00 H new ATOM 2580 N GLY A 168 4.439 5.790 11.040 1.00 0.00 N ATOM 2581 CA GLY A 168 5.439 6.312 11.957 1.00 0.00 C ATOM 2582 C GLY A 168 4.812 7.291 12.952 1.00 0.00 C ATOM 2583 O GLY A 168 4.386 6.892 14.034 1.00 0.00 O ATOM 0 H GLY A 168 4.453 6.208 10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 168 5.907 5.489 12.497 1.00 0.00 H new ATOM 0 HA3 GLY A 168 6.227 6.814 11.395 1.00 0.00 H new