USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 456 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 16 SER OG : rot 180:sc= -0.183 USER MOD Set 1.2: A 19 SER OG : rot 142:sc= 0.861 USER MOD Set 1.3: A 22 SER OG : rot 95:sc= 1.11 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= -0.262 USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0461) USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= -0.0686 (180deg=-0.652) USER MOD Single : A 3 THR OG1 : rot -170:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.888 K(o=-0.89,f=-3.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.356 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.0878 (180deg=-0.718) USER MOD Single : A 27 SER OG : rot 26:sc= 0.295! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.74) USER MOD Single : A 32 THR OG1 : rot 130:sc= 0.736 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= -0.13 (180deg=-0.766) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.963 K(o=-0.96,f=-2.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.433 (180deg=-0.907) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.682 14.843 -9.051 1.00 1.00 N ATOM 2 CA MET A 1 -3.262 14.172 -10.247 1.00 1.00 C ATOM 3 C MET A 1 -2.377 12.996 -10.626 1.00 1.00 C ATOM 4 O MET A 1 -2.861 11.886 -10.849 1.00 1.00 O ATOM 5 CB MET A 1 -3.343 15.174 -11.420 1.00 1.00 C ATOM 6 CG MET A 1 -4.047 14.536 -12.639 1.00 1.00 C ATOM 7 SD MET A 1 -4.178 15.762 -13.975 1.00 1.00 S ATOM 8 CE MET A 1 -2.622 15.399 -14.836 1.00 1.00 C ATOM 0 H1 MET A 1 -3.323 15.597 -8.731 1.00 1.00 H new ATOM 0 H2 MET A 1 -2.558 14.147 -8.288 1.00 1.00 H new ATOM 0 H3 MET A 1 -1.759 15.255 -9.297 1.00 1.00 H new ATOM 0 HA MET A 1 -4.267 13.816 -10.022 1.00 1.00 H new ATOM 0 HB2 MET A 1 -3.886 16.065 -11.106 1.00 1.00 H new ATOM 0 HB3 MET A 1 -2.340 15.494 -11.700 1.00 1.00 H new ATOM 0 HG2 MET A 1 -3.486 13.667 -12.982 1.00 1.00 H new ATOM 0 HG3 MET A 1 -5.039 14.184 -12.356 1.00 1.00 H new ATOM 0 HE1 MET A 1 -2.520 16.059 -15.698 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.785 15.558 -14.157 1.00 1.00 H new ATOM 0 HE3 MET A 1 -2.625 14.362 -15.172 1.00 1.00 H new ATOM 20 N LYS A 2 -1.074 13.246 -10.708 1.00 1.00 N ATOM 21 CA LYS A 2 -0.126 12.201 -11.080 1.00 1.00 C ATOM 22 C LYS A 2 -0.111 11.100 -10.016 1.00 1.00 C ATOM 23 O LYS A 2 0.114 11.360 -8.834 1.00 1.00 O ATOM 24 CB LYS A 2 1.291 12.800 -11.244 1.00 1.00 C ATOM 25 CG LYS A 2 2.259 11.741 -11.829 1.00 1.00 C ATOM 26 CD LYS A 2 3.669 12.340 -12.007 1.00 1.00 C ATOM 27 CE LYS A 2 4.619 11.279 -12.591 1.00 1.00 C ATOM 28 NZ LYS A 2 4.107 10.851 -13.923 1.00 1.00 N ATOM 0 H LYS A 2 -0.652 14.156 -10.523 1.00 1.00 H new ATOM 0 HA LYS A 2 -0.437 11.768 -12.031 1.00 1.00 H new ATOM 0 HB2 LYS A 2 1.252 13.669 -11.901 1.00 1.00 H new ATOM 0 HB3 LYS A 2 1.661 13.146 -10.279 1.00 1.00 H new ATOM 0 HG2 LYS A 2 2.305 10.877 -11.167 1.00 1.00 H new ATOM 0 HG3 LYS A 2 1.884 11.387 -12.789 1.00 1.00 H new ATOM 0 HD2 LYS A 2 3.625 13.205 -12.669 1.00 1.00 H new ATOM 0 HD3 LYS A 2 4.048 12.691 -11.047 1.00 1.00 H new ATOM 0 HE2 LYS A 2 5.625 11.687 -12.688 1.00 1.00 H new ATOM 0 HE3 LYS A 2 4.685 10.423 -11.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 4.882 10.428 -14.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 3.350 10.149 -13.795 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 3.731 11.676 -14.432 1.00 1.00 H new ATOM 42 N THR A 3 -0.351 9.869 -10.454 1.00 1.00 N ATOM 43 CA THR A 3 -0.363 8.717 -9.553 1.00 1.00 C ATOM 44 C THR A 3 0.993 8.031 -9.578 1.00 1.00 C ATOM 45 O THR A 3 1.805 8.226 -10.482 1.00 1.00 O ATOM 46 CB THR A 3 -1.457 7.728 -9.993 1.00 1.00 C ATOM 47 OG1 THR A 3 -1.135 7.207 -11.274 1.00 1.00 O ATOM 48 CG2 THR A 3 -2.816 8.449 -10.062 1.00 1.00 C ATOM 0 H THR A 3 -0.541 9.641 -11.430 1.00 1.00 H new ATOM 0 HA THR A 3 -0.572 9.055 -8.538 1.00 1.00 H new ATOM 0 HB THR A 3 -1.517 6.914 -9.270 1.00 1.00 H new ATOM 0 HG1 THR A 3 -1.899 6.703 -11.624 1.00 1.00 H new ATOM 0 HG21 THR A 3 -3.587 7.744 -10.374 1.00 1.00 H new ATOM 0 HG22 THR A 3 -3.066 8.849 -9.079 1.00 1.00 H new ATOM 0 HG23 THR A 3 -2.759 9.266 -10.782 1.00 1.00 H new ATOM 56 N GLY A 4 1.228 7.210 -8.559 1.00 1.00 N ATOM 57 CA GLY A 4 2.491 6.468 -8.431 1.00 1.00 C ATOM 58 C GLY A 4 2.305 5.022 -8.868 1.00 1.00 C ATOM 59 O GLY A 4 1.198 4.485 -8.833 1.00 1.00 O ATOM 0 H GLY A 4 0.563 7.037 -7.805 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.261 6.942 -9.039 1.00 1.00 H new ATOM 0 HA3 GLY A 4 2.836 6.501 -7.398 1.00 1.00 H new ATOM 63 N ILE A 5 3.403 4.392 -9.274 1.00 1.00 N ATOM 64 CA ILE A 5 3.368 2.983 -9.728 1.00 1.00 C ATOM 65 C ILE A 5 4.105 2.103 -8.721 1.00 1.00 C ATOM 66 O ILE A 5 5.252 2.363 -8.358 1.00 1.00 O ATOM 67 CB ILE A 5 4.031 2.848 -11.125 1.00 1.00 C ATOM 68 CG1 ILE A 5 3.326 3.815 -12.126 1.00 1.00 C ATOM 69 CG2 ILE A 5 3.900 1.377 -11.632 1.00 1.00 C ATOM 70 CD1 ILE A 5 4.078 3.852 -13.467 1.00 1.00 C ATOM 0 H ILE A 5 4.328 4.821 -9.302 1.00 1.00 H new ATOM 0 HA ILE A 5 2.329 2.662 -9.802 1.00 1.00 H new ATOM 0 HB ILE A 5 5.087 3.106 -11.052 1.00 1.00 H new ATOM 0 HG12 ILE A 5 2.298 3.492 -12.289 1.00 1.00 H new ATOM 0 HG13 ILE A 5 3.281 4.818 -11.701 1.00 1.00 H new ATOM 0 HG21 ILE A 5 4.367 1.287 -12.613 1.00 1.00 H new ATOM 0 HG22 ILE A 5 4.396 0.705 -10.931 1.00 1.00 H new ATOM 0 HG23 ILE A 5 2.846 1.110 -11.706 1.00 1.00 H new ATOM 0 HD11 ILE A 5 3.570 4.532 -14.151 1.00 1.00 H new ATOM 0 HD12 ILE A 5 5.098 4.198 -13.303 1.00 1.00 H new ATOM 0 HD13 ILE A 5 4.100 2.852 -13.900 1.00 1.00 H new ATOM 82 N VAL A 6 3.431 1.044 -8.283 1.00 1.00 N ATOM 83 CA VAL A 6 4.022 0.116 -7.319 1.00 1.00 C ATOM 84 C VAL A 6 5.171 -0.658 -7.977 1.00 1.00 C ATOM 85 O VAL A 6 5.025 -1.191 -9.077 1.00 1.00 O ATOM 86 CB VAL A 6 2.948 -0.875 -6.814 1.00 1.00 C ATOM 87 CG1 VAL A 6 3.518 -1.748 -5.666 1.00 1.00 C ATOM 88 CG2 VAL A 6 1.722 -0.085 -6.313 1.00 1.00 C ATOM 0 H VAL A 6 2.483 0.806 -8.576 1.00 1.00 H new ATOM 0 HA VAL A 6 4.410 0.684 -6.473 1.00 1.00 H new ATOM 0 HB VAL A 6 2.652 -1.530 -7.633 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.751 -2.441 -5.320 1.00 1.00 H new ATOM 0 HG12 VAL A 6 4.378 -2.311 -6.029 1.00 1.00 H new ATOM 0 HG13 VAL A 6 3.826 -1.107 -4.840 1.00 1.00 H new ATOM 0 HG21 VAL A 6 0.962 -0.780 -5.956 1.00 1.00 H new ATOM 0 HG22 VAL A 6 2.022 0.574 -5.498 1.00 1.00 H new ATOM 0 HG23 VAL A 6 1.314 0.510 -7.130 1.00 1.00 H new ATOM 98 N ASN A 7 6.306 -0.718 -7.288 1.00 1.00 N ATOM 99 CA ASN A 7 7.474 -1.438 -7.813 1.00 1.00 C ATOM 100 C ASN A 7 7.104 -2.897 -8.138 1.00 1.00 C ATOM 101 O ASN A 7 6.878 -3.707 -7.239 1.00 1.00 O ATOM 102 CB ASN A 7 8.609 -1.411 -6.780 1.00 1.00 C ATOM 103 CG ASN A 7 8.103 -1.948 -5.440 1.00 1.00 C ATOM 104 OD1 ASN A 7 7.270 -1.315 -4.791 1.00 1.00 O ATOM 105 ND2 ASN A 7 8.537 -3.099 -5.001 1.00 1.00 N ATOM 0 H ASN A 7 6.447 -0.285 -6.376 1.00 1.00 H new ATOM 0 HA ASN A 7 7.805 -0.947 -8.728 1.00 1.00 H new ATOM 0 HB2 ASN A 7 9.447 -2.014 -7.131 1.00 1.00 H new ATOM 0 HB3 ASN A 7 8.978 -0.393 -6.658 1.00 1.00 H new ATOM 0 HD21 ASN A 7 8.186 -3.474 -4.120 1.00 1.00 H new ATOM 0 HD22 ASN A 7 9.227 -3.623 -5.539 1.00 1.00 H new ATOM 112 N VAL A 8 7.048 -3.214 -9.428 1.00 1.00 N ATOM 113 CA VAL A 8 6.707 -4.573 -9.869 1.00 1.00 C ATOM 114 C VAL A 8 7.808 -5.557 -9.453 1.00 1.00 C ATOM 115 O VAL A 8 8.569 -6.048 -10.287 1.00 1.00 O ATOM 116 CB VAL A 8 6.510 -4.603 -11.410 1.00 1.00 C ATOM 117 CG1 VAL A 8 5.897 -5.960 -11.843 1.00 1.00 C ATOM 118 CG2 VAL A 8 5.583 -3.440 -11.841 1.00 1.00 C ATOM 0 H VAL A 8 7.232 -2.557 -10.186 1.00 1.00 H new ATOM 0 HA VAL A 8 5.774 -4.873 -9.392 1.00 1.00 H new ATOM 0 HB VAL A 8 7.479 -4.486 -11.895 1.00 1.00 H new ATOM 0 HG11 VAL A 8 5.763 -5.970 -12.925 1.00 1.00 H new ATOM 0 HG12 VAL A 8 6.565 -6.770 -11.552 1.00 1.00 H new ATOM 0 HG13 VAL A 8 4.931 -6.095 -11.357 1.00 1.00 H new ATOM 0 HG21 VAL A 8 5.447 -3.464 -12.922 1.00 1.00 H new ATOM 0 HG22 VAL A 8 4.615 -3.546 -11.351 1.00 1.00 H new ATOM 0 HG23 VAL A 8 6.033 -2.490 -11.553 1.00 1.00 H new ATOM 128 N SER A 9 7.873 -5.842 -8.156 1.00 1.00 N ATOM 129 CA SER A 9 8.875 -6.771 -7.622 1.00 1.00 C ATOM 130 C SER A 9 8.361 -8.218 -7.734 1.00 1.00 C ATOM 131 O SER A 9 8.354 -8.807 -8.816 1.00 1.00 O ATOM 132 CB SER A 9 9.174 -6.412 -6.152 1.00 1.00 C ATOM 133 OG SER A 9 10.020 -7.410 -5.595 1.00 1.00 O ATOM 0 H SER A 9 7.248 -5.447 -7.454 1.00 1.00 H new ATOM 0 HA SER A 9 9.796 -6.688 -8.200 1.00 1.00 H new ATOM 0 HB2 SER A 9 9.654 -5.435 -6.093 1.00 1.00 H new ATOM 0 HB3 SER A 9 8.246 -6.345 -5.584 1.00 1.00 H new ATOM 0 HG SER A 9 10.216 -7.188 -4.661 1.00 1.00 H new ATOM 139 N SER A 10 7.944 -8.778 -6.603 1.00 1.00 N ATOM 140 CA SER A 10 7.430 -10.164 -6.585 1.00 1.00 C ATOM 141 C SER A 10 6.527 -10.398 -5.383 1.00 1.00 C ATOM 142 O SER A 10 5.621 -11.232 -5.412 1.00 1.00 O ATOM 143 CB SER A 10 8.613 -11.130 -6.535 1.00 1.00 C ATOM 144 OG SER A 10 9.307 -10.953 -5.305 1.00 1.00 O ATOM 0 H SER A 10 7.947 -8.312 -5.696 1.00 1.00 H new ATOM 0 HA SER A 10 6.842 -10.333 -7.487 1.00 1.00 H new ATOM 0 HB2 SER A 10 8.263 -12.158 -6.625 1.00 1.00 H new ATOM 0 HB3 SER A 10 9.283 -10.947 -7.375 1.00 1.00 H new ATOM 0 HG SER A 10 10.066 -11.571 -5.266 1.00 1.00 H new ATOM 150 N SER A 11 6.785 -9.647 -4.318 1.00 1.00 N ATOM 151 CA SER A 11 5.984 -9.774 -3.093 1.00 1.00 C ATOM 152 C SER A 11 6.002 -8.479 -2.304 1.00 1.00 C ATOM 153 O SER A 11 7.016 -7.784 -2.282 1.00 1.00 O ATOM 154 CB SER A 11 6.549 -10.897 -2.220 1.00 1.00 C ATOM 155 OG SER A 11 5.783 -10.979 -1.026 1.00 1.00 O ATOM 0 H SER A 11 7.530 -8.952 -4.271 1.00 1.00 H new ATOM 0 HA SER A 11 4.957 -10.003 -3.378 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.515 -11.845 -2.756 1.00 1.00 H new ATOM 0 HB3 SER A 11 7.595 -10.702 -1.984 1.00 1.00 H new ATOM 0 HG SER A 11 6.136 -11.697 -0.460 1.00 1.00 H new ATOM 161 N LEU A 12 4.890 -8.159 -1.649 1.00 1.00 N ATOM 162 CA LEU A 12 4.825 -6.944 -0.829 1.00 1.00 C ATOM 163 C LEU A 12 3.759 -7.089 0.264 1.00 1.00 C ATOM 164 O LEU A 12 2.583 -7.314 -0.027 1.00 1.00 O ATOM 165 CB LEU A 12 4.526 -5.696 -1.724 1.00 1.00 C ATOM 166 CG LEU A 12 5.267 -4.417 -1.197 1.00 1.00 C ATOM 167 CD1 LEU A 12 4.894 -4.146 0.292 1.00 1.00 C ATOM 168 CD2 LEU A 12 6.832 -4.551 -1.371 1.00 1.00 C ATOM 0 H LEU A 12 4.032 -8.711 -1.666 1.00 1.00 H new ATOM 0 HA LEU A 12 5.793 -6.800 -0.348 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.835 -5.900 -2.749 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.452 -5.512 -1.746 1.00 1.00 H new ATOM 0 HG LEU A 12 4.940 -3.566 -1.794 1.00 1.00 H new ATOM 0 HD11 LEU A 12 5.416 -3.256 0.642 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.818 -3.992 0.375 1.00 1.00 H new ATOM 0 HD13 LEU A 12 5.186 -5.001 0.902 1.00 1.00 H new ATOM 0 HD21 LEU A 12 7.318 -3.650 -0.997 1.00 1.00 H new ATOM 0 HD22 LEU A 12 7.188 -5.415 -0.810 1.00 1.00 H new ATOM 0 HD23 LEU A 12 7.071 -4.681 -2.427 1.00 1.00 H new ATOM 180 N ASN A 13 4.181 -6.958 1.519 1.00 1.00 N ATOM 181 CA ASN A 13 3.275 -7.060 2.660 1.00 1.00 C ATOM 182 C ASN A 13 2.695 -5.681 2.987 1.00 1.00 C ATOM 183 O ASN A 13 3.405 -4.678 3.059 1.00 1.00 O ATOM 184 CB ASN A 13 4.047 -7.591 3.876 1.00 1.00 C ATOM 185 CG ASN A 13 4.622 -8.968 3.558 1.00 1.00 C ATOM 186 OD1 ASN A 13 3.873 -9.897 3.253 1.00 1.00 O ATOM 187 ND2 ASN A 13 5.910 -9.147 3.587 1.00 1.00 N ATOM 0 H ASN A 13 5.153 -6.780 1.773 1.00 1.00 H new ATOM 0 HA ASN A 13 2.461 -7.743 2.415 1.00 1.00 H new ATOM 0 HB2 ASN A 13 4.850 -6.902 4.138 1.00 1.00 H new ATOM 0 HB3 ASN A 13 3.386 -7.653 4.740 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.303 -10.059 3.357 1.00 1.00 H new ATOM 0 HD22 ASN A 13 6.527 -8.375 3.840 1.00 1.00 H new ATOM 194 N VAL A 14 1.383 -5.656 3.201 1.00 1.00 N ATOM 195 CA VAL A 14 0.693 -4.390 3.533 1.00 1.00 C ATOM 196 C VAL A 14 0.373 -4.359 5.021 1.00 1.00 C ATOM 197 O VAL A 14 -0.220 -5.291 5.564 1.00 1.00 O ATOM 198 CB VAL A 14 -0.610 -4.259 2.715 1.00 1.00 C ATOM 199 CG1 VAL A 14 -1.265 -2.870 2.946 1.00 1.00 C ATOM 200 CG2 VAL A 14 -0.292 -4.436 1.216 1.00 1.00 C ATOM 0 H VAL A 14 0.776 -6.475 3.155 1.00 1.00 H new ATOM 0 HA VAL A 14 1.347 -3.554 3.284 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.308 -5.031 3.041 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -2.182 -2.798 2.361 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -1.499 -2.750 4.004 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.574 -2.086 2.636 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -1.210 -4.344 0.636 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.415 -3.668 0.901 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.145 -5.421 1.050 1.00 1.00 H new ATOM 210 N ARG A 15 0.767 -3.272 5.676 1.00 1.00 N ATOM 211 CA ARG A 15 0.512 -3.104 7.115 1.00 1.00 C ATOM 212 C ARG A 15 -0.741 -2.249 7.330 1.00 1.00 C ATOM 213 O ARG A 15 -1.385 -1.800 6.382 1.00 1.00 O ATOM 214 CB ARG A 15 1.723 -2.420 7.772 1.00 1.00 C ATOM 215 CG ARG A 15 3.002 -3.225 7.465 1.00 1.00 C ATOM 216 CD ARG A 15 4.213 -2.568 8.143 1.00 1.00 C ATOM 217 NE ARG A 15 5.436 -3.289 7.781 1.00 1.00 N ATOM 218 CZ ARG A 15 5.711 -4.512 8.248 1.00 1.00 C ATOM 219 NH1 ARG A 15 4.884 -5.115 9.063 1.00 1.00 N ATOM 220 NH2 ARG A 15 6.813 -5.107 7.886 1.00 1.00 N ATOM 0 H ARG A 15 1.263 -2.493 5.242 1.00 1.00 H new ATOM 0 HA ARG A 15 0.355 -4.083 7.568 1.00 1.00 H new ATOM 0 HB2 ARG A 15 1.824 -1.401 7.399 1.00 1.00 H new ATOM 0 HB3 ARG A 15 1.574 -2.352 8.850 1.00 1.00 H new ATOM 0 HG2 ARG A 15 2.889 -4.250 7.818 1.00 1.00 H new ATOM 0 HG3 ARG A 15 3.161 -3.274 6.388 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.291 -1.525 7.837 1.00 1.00 H new ATOM 0 HD3 ARG A 15 4.083 -2.574 9.225 1.00 1.00 H new ATOM 0 HE ARG A 15 6.102 -2.842 7.150 1.00 1.00 H new ATOM 0 HH11 ARG A 15 4.021 -4.653 9.348 1.00 1.00 H new ATOM 0 HH12 ARG A 15 5.103 -6.048 9.414 1.00 1.00 H new ATOM 0 HH21 ARG A 15 7.460 -4.640 7.250 1.00 1.00 H new ATOM 0 HH22 ARG A 15 7.029 -6.040 8.239 1.00 1.00 H new ATOM 234 N SER A 16 -1.073 -2.034 8.599 1.00 1.00 N ATOM 235 CA SER A 16 -2.260 -1.222 8.964 1.00 1.00 C ATOM 236 C SER A 16 -1.829 0.154 9.462 1.00 1.00 C ATOM 237 O SER A 16 -2.668 1.025 9.694 1.00 1.00 O ATOM 238 CB SER A 16 -3.057 -1.937 10.073 1.00 1.00 C ATOM 239 OG SER A 16 -2.432 -1.725 11.331 1.00 1.00 O ATOM 0 H SER A 16 -0.551 -2.401 9.395 1.00 1.00 H new ATOM 0 HA SER A 16 -2.885 -1.101 8.079 1.00 1.00 H new ATOM 0 HB2 SER A 16 -4.080 -1.561 10.097 1.00 1.00 H new ATOM 0 HB3 SER A 16 -3.114 -3.005 9.861 1.00 1.00 H new ATOM 0 HG SER A 16 -2.944 -2.180 12.032 1.00 1.00 H new ATOM 245 N SER A 17 -0.524 0.342 9.627 1.00 1.00 N ATOM 246 CA SER A 17 0.016 1.621 10.106 1.00 1.00 C ATOM 247 C SER A 17 1.537 1.644 9.987 1.00 1.00 C ATOM 248 O SER A 17 2.160 0.667 9.573 1.00 1.00 O ATOM 249 CB SER A 17 -0.385 1.837 11.570 1.00 1.00 C ATOM 250 OG SER A 17 0.189 3.049 12.035 1.00 1.00 O ATOM 0 H SER A 17 0.182 -0.369 9.438 1.00 1.00 H new ATOM 0 HA SER A 17 -0.395 2.421 9.490 1.00 1.00 H new ATOM 0 HB2 SER A 17 -1.471 1.876 11.661 1.00 1.00 H new ATOM 0 HB3 SER A 17 -0.044 1.001 12.181 1.00 1.00 H new ATOM 0 HG SER A 17 -0.065 3.194 12.970 1.00 1.00 H new ATOM 256 N ALA A 18 2.130 2.774 10.360 1.00 1.00 N ATOM 257 CA ALA A 18 3.595 2.934 10.302 1.00 1.00 C ATOM 258 C ALA A 18 4.274 2.122 11.417 1.00 1.00 C ATOM 259 O ALA A 18 5.234 2.573 12.042 1.00 1.00 O ATOM 260 CB ALA A 18 3.960 4.424 10.434 1.00 1.00 C ATOM 0 H ALA A 18 1.630 3.593 10.705 1.00 1.00 H new ATOM 0 HA ALA A 18 3.950 2.560 9.342 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.043 4.538 10.391 1.00 1.00 H new ATOM 0 HB2 ALA A 18 3.503 4.984 9.618 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.593 4.806 11.387 1.00 1.00 H new ATOM 266 N SER A 19 3.761 0.919 11.648 1.00 1.00 N ATOM 267 CA SER A 19 4.310 0.021 12.688 1.00 1.00 C ATOM 268 C SER A 19 4.389 -1.416 12.165 1.00 1.00 C ATOM 269 O SER A 19 3.468 -1.918 11.522 1.00 1.00 O ATOM 270 CB SER A 19 3.414 0.076 13.937 1.00 1.00 C ATOM 271 OG SER A 19 2.100 -0.329 13.589 1.00 1.00 O ATOM 0 H SER A 19 2.967 0.533 11.137 1.00 1.00 H new ATOM 0 HA SER A 19 5.316 0.351 12.947 1.00 1.00 H new ATOM 0 HB2 SER A 19 3.814 -0.575 14.714 1.00 1.00 H new ATOM 0 HB3 SER A 19 3.400 1.087 14.344 1.00 1.00 H new ATOM 0 HG SER A 19 1.719 -0.863 14.317 1.00 1.00 H new ATOM 277 N THR A 20 5.508 -2.070 12.460 1.00 1.00 N ATOM 278 CA THR A 20 5.718 -3.456 12.027 1.00 1.00 C ATOM 279 C THR A 20 4.863 -4.403 12.860 1.00 1.00 C ATOM 280 O THR A 20 4.481 -5.477 12.396 1.00 1.00 O ATOM 281 CB THR A 20 7.204 -3.824 12.162 1.00 1.00 C ATOM 282 OG1 THR A 20 7.583 -3.719 13.526 1.00 1.00 O ATOM 283 CG2 THR A 20 8.062 -2.864 11.315 1.00 1.00 C ATOM 0 H THR A 20 6.281 -1.670 12.993 1.00 1.00 H new ATOM 0 HA THR A 20 5.423 -3.550 10.982 1.00 1.00 H new ATOM 0 HB THR A 20 7.360 -4.844 11.810 1.00 1.00 H new ATOM 0 HG1 THR A 20 8.530 -3.954 13.621 1.00 1.00 H new ATOM 0 HG21 THR A 20 9.114 -3.131 11.416 1.00 1.00 H new ATOM 0 HG22 THR A 20 7.767 -2.940 10.268 1.00 1.00 H new ATOM 0 HG23 THR A 20 7.913 -1.841 11.661 1.00 1.00 H new ATOM 291 N SER A 21 4.571 -4.003 14.094 1.00 1.00 N ATOM 292 CA SER A 21 3.764 -4.838 14.987 1.00 1.00 C ATOM 293 C SER A 21 2.341 -4.981 14.437 1.00 1.00 C ATOM 294 O SER A 21 1.642 -5.935 14.781 1.00 1.00 O ATOM 295 CB SER A 21 3.699 -4.185 16.373 1.00 1.00 C ATOM 296 OG SER A 21 3.022 -2.937 16.266 1.00 1.00 O ATOM 0 H SER A 21 4.875 -3.117 14.498 1.00 1.00 H new ATOM 0 HA SER A 21 4.223 -5.824 15.058 1.00 1.00 H new ATOM 0 HB2 SER A 21 3.177 -4.838 17.073 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.705 -4.035 16.766 1.00 1.00 H new ATOM 0 HG SER A 21 2.975 -2.514 17.149 1.00 1.00 H new ATOM 302 N SER A 22 1.930 -4.055 13.577 1.00 1.00 N ATOM 303 CA SER A 22 0.590 -4.101 12.970 1.00 1.00 C ATOM 304 C SER A 22 0.373 -5.437 12.269 1.00 1.00 C ATOM 305 O SER A 22 -0.752 -5.925 12.170 1.00 1.00 O ATOM 306 CB SER A 22 0.428 -2.967 11.950 1.00 1.00 C ATOM 307 OG SER A 22 0.319 -1.737 12.642 1.00 1.00 O ATOM 0 H SER A 22 2.499 -3.262 13.280 1.00 1.00 H new ATOM 0 HA SER A 22 -0.148 -3.983 13.764 1.00 1.00 H new ATOM 0 HB2 SER A 22 1.282 -2.944 11.274 1.00 1.00 H new ATOM 0 HB3 SER A 22 -0.458 -3.135 11.338 1.00 1.00 H new ATOM 0 HG SER A 22 1.201 -1.314 12.699 1.00 1.00 H new ATOM 313 N LYS A 23 1.463 -6.024 11.787 1.00 1.00 N ATOM 314 CA LYS A 23 1.412 -7.305 11.094 1.00 1.00 C ATOM 315 C LYS A 23 0.757 -7.132 9.719 1.00 1.00 C ATOM 316 O LYS A 23 0.402 -6.022 9.319 1.00 1.00 O ATOM 317 CB LYS A 23 0.620 -8.360 11.949 1.00 1.00 C ATOM 318 CG LYS A 23 1.230 -9.773 11.821 1.00 1.00 C ATOM 319 CD LYS A 23 0.470 -10.762 12.732 1.00 1.00 C ATOM 320 CE LYS A 23 1.102 -12.155 12.613 1.00 1.00 C ATOM 321 NZ LYS A 23 1.042 -12.588 11.188 1.00 1.00 N ATOM 0 H LYS A 23 2.400 -5.628 11.865 1.00 1.00 H new ATOM 0 HA LYS A 23 2.430 -7.669 10.955 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.623 -8.056 12.996 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -0.421 -8.382 11.626 1.00 1.00 H new ATOM 0 HG2 LYS A 23 1.179 -10.108 10.785 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.284 -9.749 12.096 1.00 1.00 H new ATOM 0 HD2 LYS A 23 0.506 -10.422 13.767 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -0.581 -10.802 12.446 1.00 1.00 H new ATOM 0 HE2 LYS A 23 2.136 -12.131 12.957 1.00 1.00 H new ATOM 0 HE3 LYS A 23 0.571 -12.866 13.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.193 -13.615 11.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 0.109 -12.352 10.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 1.782 -12.099 10.645 1.00 1.00 H new ATOM 335 N VAL A 24 0.598 -8.243 9.008 1.00 1.00 N ATOM 336 CA VAL A 24 -0.024 -8.241 7.684 1.00 1.00 C ATOM 337 C VAL A 24 -1.543 -8.182 7.834 1.00 1.00 C ATOM 338 O VAL A 24 -2.107 -8.473 8.888 1.00 1.00 O ATOM 339 CB VAL A 24 0.387 -9.518 6.886 1.00 1.00 C ATOM 340 CG1 VAL A 24 -0.035 -9.391 5.389 1.00 1.00 C ATOM 341 CG2 VAL A 24 1.919 -9.726 6.985 1.00 1.00 C ATOM 0 H VAL A 24 0.893 -9.165 9.328 1.00 1.00 H new ATOM 0 HA VAL A 24 0.319 -7.366 7.132 1.00 1.00 H new ATOM 0 HB VAL A 24 -0.125 -10.378 7.318 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.260 -10.291 4.850 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.116 -9.268 5.325 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.456 -8.525 4.945 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.202 -10.618 6.427 1.00 1.00 H new ATOM 0 HG22 VAL A 24 2.432 -8.859 6.568 1.00 1.00 H new ATOM 0 HG23 VAL A 24 2.203 -9.847 8.030 1.00 1.00 H new ATOM 351 N ILE A 25 -2.197 -7.783 6.747 1.00 1.00 N ATOM 352 CA ILE A 25 -3.664 -7.671 6.739 1.00 1.00 C ATOM 353 C ILE A 25 -4.213 -7.961 5.343 1.00 1.00 C ATOM 354 O ILE A 25 -5.382 -8.314 5.190 1.00 1.00 O ATOM 355 CB ILE A 25 -4.082 -6.243 7.193 1.00 1.00 C ATOM 356 CG1 ILE A 25 -3.382 -5.173 6.291 1.00 1.00 C ATOM 357 CG2 ILE A 25 -3.688 -6.013 8.688 1.00 1.00 C ATOM 358 CD1 ILE A 25 -3.965 -3.783 6.545 1.00 1.00 C ATOM 0 H ILE A 25 -1.747 -7.533 5.867 1.00 1.00 H new ATOM 0 HA ILE A 25 -4.079 -8.404 7.432 1.00 1.00 H new ATOM 0 HB ILE A 25 -5.163 -6.146 7.095 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -2.311 -5.165 6.493 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -3.507 -5.438 5.241 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.986 -5.010 8.993 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -4.193 -6.748 9.315 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -2.609 -6.121 8.801 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -3.463 -3.056 5.907 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -5.031 -3.789 6.319 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.817 -3.512 7.590 1.00 1.00 H new ATOM 370 N GLY A 26 -3.368 -7.800 4.329 1.00 1.00 N ATOM 371 CA GLY A 26 -3.773 -8.040 2.948 1.00 1.00 C ATOM 372 C GLY A 26 -2.579 -7.937 2.013 1.00 1.00 C ATOM 373 O GLY A 26 -1.526 -7.409 2.372 1.00 1.00 O ATOM 0 H GLY A 26 -2.398 -7.504 4.438 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -4.224 -9.029 2.863 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.534 -7.316 2.656 1.00 1.00 H new ATOM 377 N SER A 27 -2.758 -8.442 0.796 1.00 1.00 N ATOM 378 CA SER A 27 -1.689 -8.406 -0.227 1.00 1.00 C ATOM 379 C SER A 27 -2.147 -7.596 -1.433 1.00 1.00 C ATOM 380 O SER A 27 -3.253 -7.763 -1.947 1.00 1.00 O ATOM 381 CB SER A 27 -1.350 -9.823 -0.677 1.00 1.00 C ATOM 382 OG SER A 27 -2.484 -10.384 -1.313 1.00 1.00 O ATOM 0 H SER A 27 -3.624 -8.881 0.484 1.00 1.00 H new ATOM 0 HA SER A 27 -0.805 -7.940 0.210 1.00 1.00 H new ATOM 0 HB2 SER A 27 -0.502 -9.809 -1.362 1.00 1.00 H new ATOM 0 HB3 SER A 27 -1.058 -10.431 0.179 1.00 1.00 H new ATOM 0 HG SER A 27 -3.037 -9.667 -1.688 1.00 1.00 H new ATOM 388 N LEU A 28 -1.268 -6.705 -1.881 1.00 1.00 N ATOM 389 CA LEU A 28 -1.570 -5.844 -3.038 1.00 1.00 C ATOM 390 C LEU A 28 -0.870 -6.392 -4.284 1.00 1.00 C ATOM 391 O LEU A 28 0.133 -7.101 -4.207 1.00 1.00 O ATOM 392 CB LEU A 28 -1.081 -4.386 -2.762 1.00 1.00 C ATOM 393 CG LEU A 28 -1.833 -3.338 -3.676 1.00 1.00 C ATOM 394 CD1 LEU A 28 -3.172 -2.904 -3.027 1.00 1.00 C ATOM 395 CD2 LEU A 28 -0.947 -2.094 -3.928 1.00 1.00 C ATOM 0 H LEU A 28 -0.347 -6.555 -1.470 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.648 -5.834 -3.201 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -1.245 -4.139 -1.713 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -0.008 -4.322 -2.941 1.00 1.00 H new ATOM 0 HG LEU A 28 -2.044 -3.820 -4.631 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -3.673 -2.183 -3.673 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.811 -3.777 -2.894 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -2.975 -2.447 -2.057 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -1.485 -1.386 -4.559 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -0.705 -1.621 -2.976 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -0.026 -2.398 -4.426 1.00 1.00 H new ATOM 407 N SER A 29 -1.430 -6.054 -5.441 1.00 1.00 N ATOM 408 CA SER A 29 -0.887 -6.496 -6.724 1.00 1.00 C ATOM 409 C SER A 29 0.071 -5.441 -7.275 1.00 1.00 C ATOM 410 O SER A 29 -0.153 -4.238 -7.145 1.00 1.00 O ATOM 411 CB SER A 29 -2.039 -6.726 -7.713 1.00 1.00 C ATOM 412 OG SER A 29 -2.898 -7.733 -7.194 1.00 1.00 O ATOM 0 H SER A 29 -2.264 -5.472 -5.518 1.00 1.00 H new ATOM 0 HA SER A 29 -0.340 -7.428 -6.584 1.00 1.00 H new ATOM 0 HB2 SER A 29 -2.594 -5.800 -7.867 1.00 1.00 H new ATOM 0 HB3 SER A 29 -1.647 -7.029 -8.684 1.00 1.00 H new ATOM 0 HG SER A 29 -3.638 -7.885 -7.818 1.00 1.00 H new ATOM 418 N GLY A 30 1.139 -5.915 -7.909 1.00 1.00 N ATOM 419 CA GLY A 30 2.131 -5.012 -8.496 1.00 1.00 C ATOM 420 C GLY A 30 1.584 -4.392 -9.776 1.00 1.00 C ATOM 421 O GLY A 30 0.703 -4.948 -10.431 1.00 1.00 O ATOM 0 H GLY A 30 1.341 -6.907 -8.030 1.00 1.00 H new ATOM 0 HA2 GLY A 30 2.387 -4.228 -7.783 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.049 -5.559 -8.711 1.00 1.00 H new ATOM 425 N ASN A 31 2.123 -3.228 -10.127 1.00 1.00 N ATOM 426 CA ASN A 31 1.695 -2.517 -11.346 1.00 1.00 C ATOM 427 C ASN A 31 0.277 -1.976 -11.176 1.00 1.00 C ATOM 428 O ASN A 31 -0.387 -1.631 -12.153 1.00 1.00 O ATOM 429 CB ASN A 31 1.749 -3.449 -12.597 1.00 1.00 C ATOM 430 CG ASN A 31 1.735 -2.645 -13.888 1.00 1.00 C ATOM 431 OD1 ASN A 31 0.675 -2.430 -14.480 1.00 1.00 O ATOM 432 ND2 ASN A 31 2.855 -2.176 -14.351 1.00 1.00 N ATOM 0 H ASN A 31 2.852 -2.753 -9.595 1.00 1.00 H new ATOM 0 HA ASN A 31 2.385 -1.688 -11.502 1.00 1.00 H new ATOM 0 HB2 ASN A 31 2.650 -4.062 -12.558 1.00 1.00 H new ATOM 0 HB3 ASN A 31 0.899 -4.131 -12.582 1.00 1.00 H new ATOM 0 HD21 ASN A 31 2.861 -1.626 -15.210 1.00 1.00 H new ATOM 0 HD22 ASN A 31 3.728 -2.358 -13.856 1.00 1.00 H new ATOM 439 N THR A 32 -0.181 -1.910 -9.930 1.00 1.00 N ATOM 440 CA THR A 32 -1.532 -1.406 -9.641 1.00 1.00 C ATOM 441 C THR A 32 -1.496 0.107 -9.465 1.00 1.00 C ATOM 442 O THR A 32 -0.561 0.661 -8.888 1.00 1.00 O ATOM 443 CB THR A 32 -2.088 -2.070 -8.366 1.00 1.00 C ATOM 444 OG1 THR A 32 -2.076 -3.474 -8.553 1.00 1.00 O ATOM 445 CG2 THR A 32 -3.541 -1.613 -8.084 1.00 1.00 C ATOM 0 H THR A 32 0.352 -2.194 -9.108 1.00 1.00 H new ATOM 0 HA THR A 32 -2.185 -1.652 -10.478 1.00 1.00 H new ATOM 0 HB THR A 32 -1.467 -1.780 -7.518 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.652 -3.903 -7.781 1.00 1.00 H new ATOM 0 HG21 THR A 32 -3.906 -2.098 -7.179 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.563 -0.531 -7.950 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.178 -1.887 -8.925 1.00 1.00 H new ATOM 453 N LYS A 33 -2.535 0.770 -9.964 1.00 1.00 N ATOM 454 CA LYS A 33 -2.629 2.224 -9.854 1.00 1.00 C ATOM 455 C LYS A 33 -3.198 2.610 -8.489 1.00 1.00 C ATOM 456 O LYS A 33 -4.179 2.038 -8.011 1.00 1.00 O ATOM 457 CB LYS A 33 -3.531 2.774 -10.966 1.00 1.00 C ATOM 458 CG LYS A 33 -3.533 4.330 -10.944 1.00 1.00 C ATOM 459 CD LYS A 33 -4.321 4.890 -12.146 1.00 1.00 C ATOM 460 CE LYS A 33 -5.815 4.491 -12.080 1.00 1.00 C ATOM 461 NZ LYS A 33 -6.575 5.346 -13.017 1.00 1.00 N ATOM 0 H LYS A 33 -3.319 0.329 -10.445 1.00 1.00 H new ATOM 0 HA LYS A 33 -1.632 2.651 -9.957 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -3.182 2.418 -11.935 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -4.547 2.401 -10.837 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -3.977 4.685 -10.014 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -2.508 4.701 -10.970 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -4.234 5.976 -12.165 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -3.885 4.519 -13.073 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -5.938 3.440 -12.343 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -6.194 4.612 -11.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -7.582 5.088 -12.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -6.463 6.344 -12.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -6.215 5.208 -13.983 1.00 1.00 H new ATOM 475 N VAL A 34 -2.561 3.596 -7.866 1.00 1.00 N ATOM 476 CA VAL A 34 -2.995 4.080 -6.547 1.00 1.00 C ATOM 477 C VAL A 34 -2.863 5.607 -6.475 1.00 1.00 C ATOM 478 O VAL A 34 -1.776 6.152 -6.669 1.00 1.00 O ATOM 479 CB VAL A 34 -2.140 3.393 -5.436 1.00 1.00 C ATOM 480 CG1 VAL A 34 -2.593 1.925 -5.244 1.00 1.00 C ATOM 481 CG2 VAL A 34 -0.636 3.416 -5.823 1.00 1.00 C ATOM 0 H VAL A 34 -1.746 4.078 -8.245 1.00 1.00 H new ATOM 0 HA VAL A 34 -4.043 3.825 -6.391 1.00 1.00 H new ATOM 0 HB VAL A 34 -2.283 3.942 -4.505 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -1.989 1.457 -4.467 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -3.643 1.904 -4.951 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -2.467 1.380 -6.179 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -0.051 2.934 -5.040 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -0.494 2.882 -6.763 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -0.306 4.448 -5.939 1.00 1.00 H new ATOM 491 N THR A 35 -3.968 6.280 -6.173 1.00 1.00 N ATOM 492 CA THR A 35 -3.963 7.742 -6.056 1.00 1.00 C ATOM 493 C THR A 35 -3.512 8.142 -4.660 1.00 1.00 C ATOM 494 O THR A 35 -4.330 8.342 -3.764 1.00 1.00 O ATOM 495 CB THR A 35 -5.376 8.310 -6.334 1.00 1.00 C ATOM 496 OG1 THR A 35 -5.832 7.810 -7.583 1.00 1.00 O ATOM 497 CG2 THR A 35 -5.343 9.857 -6.373 1.00 1.00 C ATOM 0 H THR A 35 -4.875 5.844 -6.005 1.00 1.00 H new ATOM 0 HA THR A 35 -3.271 8.152 -6.792 1.00 1.00 H new ATOM 0 HB THR A 35 -6.051 8.001 -5.536 1.00 1.00 H new ATOM 0 HG1 THR A 35 -6.728 8.162 -7.769 1.00 1.00 H new ATOM 0 HG21 THR A 35 -6.345 10.237 -6.570 1.00 1.00 H new ATOM 0 HG22 THR A 35 -4.992 10.238 -5.414 1.00 1.00 H new ATOM 0 HG23 THR A 35 -4.668 10.187 -7.163 1.00 1.00 H new ATOM 505 N ILE A 36 -2.200 8.274 -4.485 1.00 1.00 N ATOM 506 CA ILE A 36 -1.628 8.680 -3.166 1.00 1.00 C ATOM 507 C ILE A 36 -2.565 9.669 -2.453 1.00 1.00 C ATOM 508 O ILE A 36 -3.238 10.479 -3.091 1.00 1.00 O ATOM 509 CB ILE A 36 -0.230 9.339 -3.353 1.00 1.00 C ATOM 510 CG1 ILE A 36 0.842 8.253 -3.690 1.00 1.00 C ATOM 511 CG2 ILE A 36 0.215 10.129 -2.064 1.00 1.00 C ATOM 512 CD1 ILE A 36 0.534 7.518 -5.015 1.00 1.00 C ATOM 0 H ILE A 36 -1.507 8.113 -5.216 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.522 7.782 -2.557 1.00 1.00 H new ATOM 0 HB ILE A 36 -0.311 10.045 -4.180 1.00 1.00 H new ATOM 0 HG12 ILE A 36 1.823 8.722 -3.757 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.890 7.528 -2.877 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.195 10.575 -2.231 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -0.510 10.914 -1.850 1.00 1.00 H new ATOM 0 HG23 ILE A 36 0.268 9.444 -1.218 1.00 1.00 H new ATOM 0 HD11 ILE A 36 1.307 6.773 -5.206 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.435 7.025 -4.941 1.00 1.00 H new ATOM 0 HD13 ILE A 36 0.513 8.237 -5.834 1.00 1.00 H new ATOM 524 N VAL A 37 -2.609 9.577 -1.128 1.00 1.00 N ATOM 525 CA VAL A 37 -3.484 10.438 -0.322 1.00 1.00 C ATOM 526 C VAL A 37 -2.907 10.589 1.091 1.00 1.00 C ATOM 527 O VAL A 37 -3.496 10.129 2.069 1.00 1.00 O ATOM 528 CB VAL A 37 -4.940 9.820 -0.273 1.00 1.00 C ATOM 529 CG1 VAL A 37 -5.817 10.320 -1.453 1.00 1.00 C ATOM 530 CG2 VAL A 37 -4.847 8.263 -0.306 1.00 1.00 C ATOM 0 H VAL A 37 -2.052 8.917 -0.585 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.543 11.427 -0.776 1.00 1.00 H new ATOM 0 HB VAL A 37 -5.413 10.146 0.653 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -6.809 9.873 -1.384 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -5.904 11.406 -1.407 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -5.355 10.033 -2.397 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.850 7.838 -0.272 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -4.350 7.948 -1.223 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.276 7.914 0.554 1.00 1.00 H new ATOM 540 N GLY A 38 -1.766 11.265 1.185 1.00 1.00 N ATOM 541 CA GLY A 38 -1.117 11.509 2.476 1.00 1.00 C ATOM 542 C GLY A 38 -0.056 10.477 2.737 1.00 1.00 C ATOM 543 O GLY A 38 0.048 9.466 2.043 1.00 1.00 O ATOM 0 H GLY A 38 -1.269 11.655 0.384 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -0.674 12.505 2.484 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -1.860 11.485 3.273 1.00 1.00 H new ATOM 547 N GLU A 39 0.759 10.747 3.751 1.00 1.00 N ATOM 548 CA GLU A 39 1.848 9.855 4.112 1.00 1.00 C ATOM 549 C GLU A 39 2.196 10.002 5.582 1.00 1.00 C ATOM 550 O GLU A 39 1.930 11.036 6.195 1.00 1.00 O ATOM 551 CB GLU A 39 3.077 10.166 3.227 1.00 1.00 C ATOM 552 CG GLU A 39 3.469 11.677 3.316 1.00 1.00 C ATOM 553 CD GLU A 39 4.115 12.003 4.669 1.00 1.00 C ATOM 554 OE1 GLU A 39 5.086 11.347 5.007 1.00 1.00 O ATOM 555 OE2 GLU A 39 3.620 12.887 5.352 1.00 1.00 O ATOM 0 H GLU A 39 0.683 11.579 4.337 1.00 1.00 H new ATOM 0 HA GLU A 39 1.537 8.824 3.945 1.00 1.00 H new ATOM 0 HB2 GLU A 39 3.920 9.550 3.541 1.00 1.00 H new ATOM 0 HB3 GLU A 39 2.859 9.904 2.192 1.00 1.00 H new ATOM 0 HG2 GLU A 39 4.161 11.924 2.511 1.00 1.00 H new ATOM 0 HG3 GLU A 39 2.582 12.295 3.175 1.00 1.00 H new ATOM 562 N GLU A 40 2.799 8.961 6.145 1.00 1.00 N ATOM 563 CA GLU A 40 3.203 8.978 7.549 1.00 1.00 C ATOM 564 C GLU A 40 4.387 8.030 7.779 1.00 1.00 C ATOM 565 O GLU A 40 4.336 6.853 7.422 1.00 1.00 O ATOM 566 CB GLU A 40 2.011 8.571 8.434 1.00 1.00 C ATOM 567 CG GLU A 40 2.364 8.742 9.931 1.00 1.00 C ATOM 568 CD GLU A 40 1.171 8.366 10.803 1.00 1.00 C ATOM 569 OE1 GLU A 40 0.595 7.320 10.557 1.00 1.00 O ATOM 570 OE2 GLU A 40 0.853 9.125 11.705 1.00 1.00 O ATOM 0 H GLU A 40 3.019 8.095 5.653 1.00 1.00 H new ATOM 0 HA GLU A 40 3.518 9.987 7.815 1.00 1.00 H new ATOM 0 HB2 GLU A 40 1.142 9.181 8.187 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.740 7.534 8.234 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.219 8.115 10.184 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.656 9.774 10.127 1.00 1.00 H new ATOM 577 N GLY A 41 5.444 8.555 8.392 1.00 1.00 N ATOM 578 CA GLY A 41 6.639 7.760 8.682 1.00 1.00 C ATOM 579 C GLY A 41 7.255 7.198 7.406 1.00 1.00 C ATOM 580 O GLY A 41 7.093 7.771 6.329 1.00 1.00 O ATOM 0 H GLY A 41 5.500 9.526 8.698 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.372 8.378 9.200 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.380 6.942 9.354 1.00 1.00 H new ATOM 584 N ALA A 42 7.947 6.071 7.530 1.00 1.00 N ATOM 585 CA ALA A 42 8.578 5.424 6.375 1.00 1.00 C ATOM 586 C ALA A 42 7.523 4.678 5.557 1.00 1.00 C ATOM 587 O ALA A 42 7.789 3.582 5.062 1.00 1.00 O ATOM 588 CB ALA A 42 9.669 4.438 6.833 1.00 1.00 C ATOM 0 H ALA A 42 8.088 5.584 8.415 1.00 1.00 H new ATOM 0 HA ALA A 42 9.040 6.195 5.758 1.00 1.00 H new ATOM 0 HB1 ALA A 42 10.125 3.969 5.961 1.00 1.00 H new ATOM 0 HB2 ALA A 42 10.432 4.975 7.396 1.00 1.00 H new ATOM 0 HB3 ALA A 42 9.224 3.671 7.467 1.00 1.00 H new ATOM 594 N PHE A 43 6.338 5.265 5.422 1.00 1.00 N ATOM 595 CA PHE A 43 5.243 4.647 4.665 1.00 1.00 C ATOM 596 C PHE A 43 4.330 5.719 4.075 1.00 1.00 C ATOM 597 O PHE A 43 4.292 6.861 4.531 1.00 1.00 O ATOM 598 CB PHE A 43 4.414 3.712 5.579 1.00 1.00 C ATOM 599 CG PHE A 43 5.349 2.722 6.280 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.920 3.050 7.526 1.00 1.00 C ATOM 601 CD2 PHE A 43 5.664 1.486 5.682 1.00 1.00 C ATOM 602 CE1 PHE A 43 6.790 2.155 8.161 1.00 1.00 C ATOM 603 CE2 PHE A 43 6.533 0.593 6.324 1.00 1.00 C ATOM 604 CZ PHE A 43 7.098 0.929 7.560 1.00 1.00 C ATOM 0 H PHE A 43 6.106 6.172 5.827 1.00 1.00 H new ATOM 0 HA PHE A 43 5.679 4.062 3.855 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.868 4.299 6.318 1.00 1.00 H new ATOM 0 HB3 PHE A 43 3.673 3.173 4.989 1.00 1.00 H new ATOM 0 HD1 PHE A 43 5.686 3.995 7.993 1.00 1.00 H new ATOM 0 HD2 PHE A 43 5.235 1.226 4.726 1.00 1.00 H new ATOM 0 HE1 PHE A 43 7.224 2.411 9.116 1.00 1.00 H new ATOM 0 HE2 PHE A 43 6.767 -0.356 5.864 1.00 1.00 H new ATOM 0 HZ PHE A 43 7.772 0.242 8.050 1.00 1.00 H new ATOM 614 N TYR A 44 3.588 5.324 3.045 1.00 1.00 N ATOM 615 CA TYR A 44 2.637 6.211 2.342 1.00 1.00 C ATOM 616 C TYR A 44 1.224 5.662 2.455 1.00 1.00 C ATOM 617 O TYR A 44 0.998 4.470 2.670 1.00 1.00 O ATOM 618 CB TYR A 44 3.046 6.366 0.839 1.00 1.00 C ATOM 619 CG TYR A 44 3.705 7.737 0.617 1.00 1.00 C ATOM 620 CD1 TYR A 44 4.813 8.113 1.398 1.00 1.00 C ATOM 621 CD2 TYR A 44 3.184 8.647 -0.324 1.00 1.00 C ATOM 622 CE1 TYR A 44 5.392 9.378 1.224 1.00 1.00 C ATOM 623 CE2 TYR A 44 3.780 9.901 -0.483 1.00 1.00 C ATOM 624 CZ TYR A 44 4.873 10.259 0.287 1.00 1.00 C ATOM 625 OH TYR A 44 5.452 11.491 0.115 1.00 1.00 O ATOM 0 H TYR A 44 3.622 4.378 2.665 1.00 1.00 H new ATOM 0 HA TYR A 44 2.665 7.195 2.810 1.00 1.00 H new ATOM 0 HB2 TYR A 44 3.736 5.571 0.557 1.00 1.00 H new ATOM 0 HB3 TYR A 44 2.167 6.267 0.202 1.00 1.00 H new ATOM 0 HD1 TYR A 44 5.217 7.429 2.130 1.00 1.00 H new ATOM 0 HD2 TYR A 44 2.326 8.376 -0.921 1.00 1.00 H new ATOM 0 HE1 TYR A 44 6.244 9.667 1.821 1.00 1.00 H new ATOM 0 HE2 TYR A 44 3.386 10.595 -1.211 1.00 1.00 H new ATOM 0 HH TYR A 44 4.969 11.985 -0.580 1.00 1.00 H new ATOM 635 N LYS A 45 0.260 6.563 2.294 1.00 1.00 N ATOM 636 CA LYS A 45 -1.154 6.201 2.371 1.00 1.00 C ATOM 637 C LYS A 45 -1.726 6.047 0.967 1.00 1.00 C ATOM 638 O LYS A 45 -1.356 6.760 0.034 1.00 1.00 O ATOM 639 CB LYS A 45 -1.938 7.279 3.148 1.00 1.00 C ATOM 640 CG LYS A 45 -3.358 6.756 3.480 1.00 1.00 C ATOM 641 CD LYS A 45 -4.118 7.771 4.347 1.00 1.00 C ATOM 642 CE LYS A 45 -5.509 7.223 4.693 1.00 1.00 C ATOM 643 NZ LYS A 45 -6.206 8.213 5.546 1.00 1.00 N ATOM 0 H LYS A 45 0.431 7.551 2.109 1.00 1.00 H new ATOM 0 HA LYS A 45 -1.248 5.252 2.899 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -1.410 7.534 4.067 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -2.006 8.191 2.555 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -3.909 6.573 2.558 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -3.287 5.803 4.004 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -3.559 7.973 5.261 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -4.212 8.718 3.816 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -6.080 7.038 3.783 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -5.422 6.269 5.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -7.152 7.856 5.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -5.659 8.367 6.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -6.297 9.112 5.031 1.00 1.00 H new ATOM 657 N ILE A 46 -2.637 5.089 0.828 1.00 1.00 N ATOM 658 CA ILE A 46 -3.272 4.812 -0.460 1.00 1.00 C ATOM 659 C ILE A 46 -4.686 4.293 -0.241 1.00 1.00 C ATOM 660 O ILE A 46 -5.110 4.016 0.881 1.00 1.00 O ATOM 661 CB ILE A 46 -2.426 3.780 -1.261 1.00 1.00 C ATOM 662 CG1 ILE A 46 -2.169 2.526 -0.372 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.068 4.402 -1.712 1.00 1.00 C ATOM 664 CD1 ILE A 46 -1.507 1.405 -1.182 1.00 1.00 C ATOM 0 H ILE A 46 -2.954 4.490 1.591 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.327 5.735 -1.038 1.00 1.00 H new ATOM 0 HB ILE A 46 -2.978 3.491 -2.155 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -1.531 2.797 0.470 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -3.112 2.171 0.044 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -0.496 3.661 -2.270 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.257 5.267 -2.347 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -0.501 4.713 -0.835 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -1.339 0.542 -0.538 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.158 1.120 -2.008 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -0.553 1.755 -1.576 1.00 1.00 H new ATOM 676 N GLU A 47 -5.416 4.160 -1.344 1.00 1.00 N ATOM 677 CA GLU A 47 -6.802 3.665 -1.298 1.00 1.00 C ATOM 678 C GLU A 47 -7.066 2.722 -2.464 1.00 1.00 C ATOM 679 O GLU A 47 -7.229 3.145 -3.609 1.00 1.00 O ATOM 680 CB GLU A 47 -7.784 4.849 -1.356 1.00 1.00 C ATOM 681 CG GLU A 47 -9.240 4.362 -1.133 1.00 1.00 C ATOM 682 CD GLU A 47 -10.218 5.533 -1.142 1.00 1.00 C ATOM 683 OE1 GLU A 47 -9.779 6.662 -0.989 1.00 1.00 O ATOM 684 OE2 GLU A 47 -11.398 5.279 -1.304 1.00 1.00 O ATOM 0 H GLU A 47 -5.080 4.385 -2.280 1.00 1.00 H new ATOM 0 HA GLU A 47 -6.947 3.121 -0.364 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -7.520 5.585 -0.596 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -7.705 5.347 -2.322 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -9.512 3.651 -1.913 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -9.309 3.834 -0.182 1.00 1.00 H new ATOM 691 N TYR A 48 -7.118 1.430 -2.157 1.00 1.00 N ATOM 692 CA TYR A 48 -7.380 0.406 -3.172 1.00 1.00 C ATOM 693 C TYR A 48 -8.313 -0.664 -2.612 1.00 1.00 C ATOM 694 O TYR A 48 -8.491 -0.788 -1.400 1.00 1.00 O ATOM 695 CB TYR A 48 -6.037 -0.214 -3.638 1.00 1.00 C ATOM 696 CG TYR A 48 -6.240 -0.965 -4.964 1.00 1.00 C ATOM 697 CD1 TYR A 48 -6.476 -0.229 -6.143 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.229 -2.371 -5.020 1.00 1.00 C ATOM 699 CE1 TYR A 48 -6.688 -0.892 -7.357 1.00 1.00 C ATOM 700 CE2 TYR A 48 -6.446 -3.027 -6.241 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.677 -2.287 -7.404 1.00 1.00 C ATOM 702 OH TYR A 48 -6.888 -2.934 -8.602 1.00 1.00 O ATOM 0 H TYR A 48 -6.983 1.063 -1.215 1.00 1.00 H new ATOM 0 HA TYR A 48 -7.871 0.862 -4.032 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.289 0.569 -3.764 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -5.658 -0.897 -2.877 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -6.493 0.850 -6.109 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -6.053 -2.945 -4.122 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -6.860 -0.323 -8.259 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -6.435 -4.106 -6.282 1.00 1.00 H new ATOM 0 HH TYR A 48 -6.847 -3.903 -8.462 1.00 1.00 H new ATOM 712 N LYS A 49 -8.890 -1.451 -3.514 1.00 1.00 N ATOM 713 CA LYS A 49 -9.807 -2.530 -3.106 1.00 1.00 C ATOM 714 C LYS A 49 -10.908 -1.996 -2.164 1.00 1.00 C ATOM 715 O LYS A 49 -11.459 -2.747 -1.359 1.00 1.00 O ATOM 716 CB LYS A 49 -8.966 -3.677 -2.422 1.00 1.00 C ATOM 717 CG LYS A 49 -8.413 -4.686 -3.488 1.00 1.00 C ATOM 718 CD LYS A 49 -9.449 -5.801 -3.778 1.00 1.00 C ATOM 719 CE LYS A 49 -8.915 -6.749 -4.862 1.00 1.00 C ATOM 720 NZ LYS A 49 -8.696 -5.968 -6.110 1.00 1.00 N ATOM 0 H LYS A 49 -8.747 -1.371 -4.521 1.00 1.00 H new ATOM 0 HA LYS A 49 -10.313 -2.932 -3.984 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -8.137 -3.241 -1.865 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -9.589 -4.209 -1.702 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.176 -4.155 -4.410 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -7.485 -5.130 -3.128 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -9.658 -6.360 -2.866 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.390 -5.358 -4.103 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -7.983 -7.210 -4.536 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.624 -7.557 -5.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -8.851 -6.582 -6.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -9.362 -5.170 -6.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -7.721 -5.606 -6.126 1.00 1.00 H new ATOM 734 N GLY A 50 -11.197 -0.704 -2.265 1.00 1.00 N ATOM 735 CA GLY A 50 -12.218 -0.075 -1.420 1.00 1.00 C ATOM 736 C GLY A 50 -11.692 0.092 0.005 1.00 1.00 C ATOM 737 O GLY A 50 -12.321 0.749 0.835 1.00 1.00 O ATOM 0 H GLY A 50 -10.743 -0.068 -2.921 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.492 0.897 -1.831 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.121 -0.685 -1.413 1.00 1.00 H new ATOM 741 N SER A 51 -10.534 -0.501 0.276 1.00 1.00 N ATOM 742 CA SER A 51 -9.869 -0.446 1.595 1.00 1.00 C ATOM 743 C SER A 51 -8.625 0.434 1.518 1.00 1.00 C ATOM 744 O SER A 51 -8.224 0.907 0.455 1.00 1.00 O ATOM 745 CB SER A 51 -9.474 -1.864 2.067 1.00 1.00 C ATOM 746 OG SER A 51 -10.641 -2.670 2.143 1.00 1.00 O ATOM 0 H SER A 51 -10.016 -1.043 -0.416 1.00 1.00 H new ATOM 0 HA SER A 51 -10.569 -0.020 2.314 1.00 1.00 H new ATOM 0 HB2 SER A 51 -8.757 -2.305 1.374 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.987 -1.814 3.041 1.00 1.00 H new ATOM 0 HG SER A 51 -10.397 -3.571 2.440 1.00 1.00 H new ATOM 752 N HIS A 52 -8.019 0.653 2.682 1.00 1.00 N ATOM 753 CA HIS A 52 -6.800 1.486 2.783 1.00 1.00 C ATOM 754 C HIS A 52 -5.723 0.758 3.597 1.00 1.00 C ATOM 755 O HIS A 52 -5.989 0.190 4.657 1.00 1.00 O ATOM 756 CB HIS A 52 -7.153 2.828 3.452 1.00 1.00 C ATOM 757 CG HIS A 52 -7.721 2.586 4.826 1.00 1.00 C ATOM 758 ND1 HIS A 52 -6.910 2.349 5.925 1.00 1.00 N ATOM 759 CD2 HIS A 52 -9.010 2.517 5.288 1.00 1.00 C ATOM 760 CE1 HIS A 52 -7.714 2.162 6.987 1.00 1.00 C ATOM 761 NE2 HIS A 52 -9.004 2.252 6.653 1.00 1.00 N ATOM 0 H HIS A 52 -8.342 0.272 3.571 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.409 1.672 1.783 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.263 3.454 3.523 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -7.876 3.369 2.841 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -9.895 2.648 4.684 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -7.360 1.963 7.988 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -9.812 2.149 7.267 1.00 1.00 H new ATOM 770 N GLY A 53 -4.498 0.796 3.084 1.00 1.00 N ATOM 771 CA GLY A 53 -3.360 0.152 3.756 1.00 1.00 C ATOM 772 C GLY A 53 -2.089 0.961 3.552 1.00 1.00 C ATOM 773 O GLY A 53 -1.949 1.697 2.575 1.00 1.00 O ATOM 0 H GLY A 53 -4.261 1.263 2.208 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.568 0.054 4.822 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.223 -0.856 3.364 1.00 1.00 H new ATOM 777 N TYR A 54 -1.155 0.812 4.485 1.00 1.00 N ATOM 778 CA TYR A 54 0.127 1.532 4.415 1.00 1.00 C ATOM 779 C TYR A 54 1.149 0.690 3.664 1.00 1.00 C ATOM 780 O TYR A 54 1.163 -0.537 3.756 1.00 1.00 O ATOM 781 CB TYR A 54 0.634 1.824 5.836 1.00 1.00 C ATOM 782 CG TYR A 54 -0.339 2.777 6.536 1.00 1.00 C ATOM 783 CD1 TYR A 54 -1.556 2.282 7.035 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.041 4.152 6.670 1.00 1.00 C ATOM 785 CE1 TYR A 54 -2.456 3.143 7.672 1.00 1.00 C ATOM 786 CE2 TYR A 54 -0.947 5.005 7.310 1.00 1.00 C ATOM 787 CZ TYR A 54 -2.151 4.501 7.807 1.00 1.00 C ATOM 788 OH TYR A 54 -3.039 5.341 8.439 1.00 1.00 O ATOM 0 H TYR A 54 -1.253 0.204 5.298 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.017 2.474 3.886 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.721 0.896 6.401 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.629 2.267 5.795 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -1.797 1.235 6.926 1.00 1.00 H new ATOM 0 HD2 TYR A 54 0.886 4.544 6.278 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.388 2.758 8.060 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -0.715 6.054 7.420 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.677 6.251 8.450 1.00 1.00 H new ATOM 798 N VAL A 55 2.013 1.369 2.914 1.00 1.00 N ATOM 799 CA VAL A 55 3.055 0.691 2.129 1.00 1.00 C ATOM 800 C VAL A 55 4.346 1.494 2.158 1.00 1.00 C ATOM 801 O VAL A 55 4.335 2.724 2.185 1.00 1.00 O ATOM 802 CB VAL A 55 2.582 0.498 0.659 1.00 1.00 C ATOM 803 CG1 VAL A 55 3.562 -0.422 -0.102 1.00 1.00 C ATOM 804 CG2 VAL A 55 1.161 -0.120 0.647 1.00 1.00 C ATOM 0 H VAL A 55 2.017 2.385 2.830 1.00 1.00 H new ATOM 0 HA VAL A 55 3.240 -0.288 2.572 1.00 1.00 H new ATOM 0 HB VAL A 55 2.558 1.469 0.164 1.00 1.00 H new ATOM 0 HG11 VAL A 55 3.219 -0.549 -1.129 1.00 1.00 H new ATOM 0 HG12 VAL A 55 4.555 0.027 -0.104 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.604 -1.394 0.389 1.00 1.00 H new ATOM 0 HG21 VAL A 55 0.831 -0.254 -0.383 1.00 1.00 H new ATOM 0 HG22 VAL A 55 1.180 -1.086 1.151 1.00 1.00 H new ATOM 0 HG23 VAL A 55 0.470 0.546 1.165 1.00 1.00 H new ATOM 814 N ALA A 56 5.467 0.779 2.148 1.00 1.00 N ATOM 815 CA ALA A 56 6.774 1.418 2.168 1.00 1.00 C ATOM 816 C ALA A 56 6.962 2.264 0.905 1.00 1.00 C ATOM 817 O ALA A 56 6.602 1.857 -0.199 1.00 1.00 O ATOM 818 CB ALA A 56 7.879 0.352 2.252 1.00 1.00 C ATOM 0 H ALA A 56 5.494 -0.240 2.126 1.00 1.00 H new ATOM 0 HA ALA A 56 6.838 2.065 3.043 1.00 1.00 H new ATOM 0 HB1 ALA A 56 8.854 0.839 2.266 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.752 -0.233 3.163 1.00 1.00 H new ATOM 0 HB3 ALA A 56 7.815 -0.307 1.386 1.00 1.00 H new ATOM 824 N LYS A 57 7.536 3.449 1.089 1.00 1.00 N ATOM 825 CA LYS A 57 7.775 4.358 -0.048 1.00 1.00 C ATOM 826 C LYS A 57 9.145 4.088 -0.658 1.00 1.00 C ATOM 827 O LYS A 57 9.377 4.376 -1.833 1.00 1.00 O ATOM 828 CB LYS A 57 7.698 5.821 0.424 1.00 1.00 C ATOM 829 CG LYS A 57 8.544 6.011 1.717 1.00 1.00 C ATOM 830 CD LYS A 57 8.791 7.518 1.977 1.00 1.00 C ATOM 831 CE LYS A 57 9.352 7.736 3.398 1.00 1.00 C ATOM 832 NZ LYS A 57 10.389 6.697 3.688 1.00 1.00 N ATOM 0 H LYS A 57 7.843 3.806 1.994 1.00 1.00 H new ATOM 0 HA LYS A 57 7.009 4.183 -0.803 1.00 1.00 H new ATOM 0 HB2 LYS A 57 8.064 6.484 -0.360 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.661 6.096 0.615 1.00 1.00 H new ATOM 0 HG2 LYS A 57 8.026 5.568 2.568 1.00 1.00 H new ATOM 0 HG3 LYS A 57 9.497 5.491 1.617 1.00 1.00 H new ATOM 0 HD2 LYS A 57 9.491 7.911 1.239 1.00 1.00 H new ATOM 0 HD3 LYS A 57 7.859 8.071 1.859 1.00 1.00 H new ATOM 0 HE2 LYS A 57 9.787 8.732 3.480 1.00 1.00 H new ATOM 0 HE3 LYS A 57 8.548 7.677 4.131 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 10.954 6.990 4.511 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.924 5.790 3.893 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 11.011 6.588 2.862 1.00 1.00 H new ATOM 846 N GLU A 58 10.051 3.544 0.147 1.00 1.00 N ATOM 847 CA GLU A 58 11.411 3.261 -0.318 1.00 1.00 C ATOM 848 C GLU A 58 11.394 2.180 -1.391 1.00 1.00 C ATOM 849 O GLU A 58 12.153 2.224 -2.360 1.00 1.00 O ATOM 850 CB GLU A 58 12.297 2.817 0.872 1.00 1.00 C ATOM 851 CG GLU A 58 13.791 2.733 0.448 1.00 1.00 C ATOM 852 CD GLU A 58 14.338 4.122 0.094 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.828 5.096 0.627 1.00 1.00 O ATOM 854 OE2 GLU A 58 15.250 4.190 -0.713 1.00 1.00 O ATOM 0 H GLU A 58 9.874 3.290 1.119 1.00 1.00 H new ATOM 0 HA GLU A 58 11.827 4.171 -0.750 1.00 1.00 H new ATOM 0 HB2 GLU A 58 12.187 3.522 1.696 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.963 1.846 1.237 1.00 1.00 H new ATOM 0 HG2 GLU A 58 14.379 2.301 1.258 1.00 1.00 H new ATOM 0 HG3 GLU A 58 13.893 2.068 -0.410 1.00 1.00 H new ATOM 861 N TYR A 59 10.513 1.202 -1.205 1.00 1.00 N ATOM 862 CA TYR A 59 10.383 0.097 -2.159 1.00 1.00 C ATOM 863 C TYR A 59 9.795 0.603 -3.468 1.00 1.00 C ATOM 864 O TYR A 59 10.097 0.075 -4.538 1.00 1.00 O ATOM 865 CB TYR A 59 9.482 -1.013 -1.550 1.00 1.00 C ATOM 866 CG TYR A 59 10.300 -1.858 -0.565 1.00 1.00 C ATOM 867 CD1 TYR A 59 10.718 -1.295 0.654 1.00 1.00 C ATOM 868 CD2 TYR A 59 10.657 -3.190 -0.871 1.00 1.00 C ATOM 869 CE1 TYR A 59 11.476 -2.053 1.556 1.00 1.00 C ATOM 870 CE2 TYR A 59 11.412 -3.939 0.036 1.00 1.00 C ATOM 871 CZ TYR A 59 11.821 -3.372 1.244 1.00 1.00 C ATOM 872 OH TYR A 59 12.567 -4.117 2.128 1.00 1.00 O ATOM 0 H TYR A 59 9.879 1.149 -0.407 1.00 1.00 H new ATOM 0 HA TYR A 59 11.369 -0.321 -2.364 1.00 1.00 H new ATOM 0 HB2 TYR A 59 8.630 -0.564 -1.039 1.00 1.00 H new ATOM 0 HB3 TYR A 59 9.082 -1.646 -2.342 1.00 1.00 H new ATOM 0 HD1 TYR A 59 10.454 -0.276 0.895 1.00 1.00 H new ATOM 0 HD2 TYR A 59 10.346 -3.630 -1.807 1.00 1.00 H new ATOM 0 HE1 TYR A 59 11.794 -1.619 2.492 1.00 1.00 H new ATOM 0 HE2 TYR A 59 11.679 -4.959 -0.198 1.00 1.00 H new ATOM 0 HH TYR A 59 12.717 -5.012 1.757 1.00 1.00 H new ATOM 882 N ILE A 60 8.940 1.617 -3.377 1.00 1.00 N ATOM 883 CA ILE A 60 8.299 2.184 -4.569 1.00 1.00 C ATOM 884 C ILE A 60 9.268 3.161 -5.246 1.00 1.00 C ATOM 885 O ILE A 60 9.918 2.760 -6.199 1.00 1.00 O ATOM 886 CB ILE A 60 6.978 2.897 -4.164 1.00 1.00 C ATOM 887 CG1 ILE A 60 6.045 1.886 -3.418 1.00 1.00 C ATOM 888 CG2 ILE A 60 6.260 3.426 -5.433 1.00 1.00 C ATOM 889 CD1 ILE A 60 4.808 2.604 -2.842 1.00 1.00 C ATOM 890 OXT ILE A 60 9.343 4.294 -4.799 1.00 1.00 O ATOM 0 H ILE A 60 8.673 2.063 -2.499 1.00 1.00 H new ATOM 0 HA ILE A 60 8.054 1.391 -5.275 1.00 1.00 H new ATOM 0 HB ILE A 60 7.208 3.734 -3.504 1.00 1.00 H new ATOM 0 HG12 ILE A 60 5.728 1.101 -4.105 1.00 1.00 H new ATOM 0 HG13 ILE A 60 6.597 1.401 -2.613 1.00 1.00 H new ATOM 0 HG21 ILE A 60 5.335 3.925 -5.146 1.00 1.00 H new ATOM 0 HG22 ILE A 60 6.909 4.133 -5.950 1.00 1.00 H new ATOM 0 HG23 ILE A 60 6.032 2.592 -6.096 1.00 1.00 H new ATOM 0 HD11 ILE A 60 4.174 1.881 -2.328 1.00 1.00 H new ATOM 0 HD12 ILE A 60 5.128 3.372 -2.137 1.00 1.00 H new ATOM 0 HD13 ILE A 60 4.246 3.067 -3.653 1.00 1.00 H new TER 902 ILE A 60