USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 617 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 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.155 X(o=1.1,f=1) USER MOD Set 2.2: A 54 TYR OH : rot -152:sc= 1.22 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 163:sc= 0.263 (180deg=0) USER MOD Set 3.2: A 45 TYR OH : rot 180:sc= 0.246 USER MOD Set 4.1: A 33 LYS NZ :NH3+ -120:sc= 1.06 (180deg=-0.716) USER MOD Set 4.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.118 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 2 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-1.8!) USER MOD Single : A 3 MET CE :methyl -169:sc= 0 (180deg=-0.106) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.982 F(o=-3.3!,f=-0.98) USER MOD Single : A 16 ASN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.014 K(o=0.014,f=-0.73) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 121:sc= -1.29 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -51:sc= 0.407 USER MOD Single : A 39 CYS SG : rot -9:sc= -1.87 USER MOD Single : A 43 ASN : amide:sc= -0.086 K(o=-0.086,f=-5!) USER MOD Single : A 47 CYS SG : rot 46:sc= -0.568 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.790 -8.963 16.039 1.00 0.00 N ATOM 2 CA SER A 1 3.293 -9.032 14.654 1.00 0.00 C ATOM 3 C SER A 1 3.302 -7.643 14.033 1.00 0.00 C ATOM 4 O SER A 1 2.514 -6.824 14.451 1.00 0.00 O ATOM 5 CB SER A 1 2.419 -9.968 13.828 1.00 0.00 C ATOM 6 OG SER A 1 2.438 -11.224 14.426 1.00 0.00 O ATOM 0 H1 SER A 1 2.242 -9.821 16.252 1.00 0.00 H new ATOM 0 H2 SER A 1 3.593 -8.892 16.697 1.00 0.00 H new ATOM 0 H3 SER A 1 2.180 -8.127 16.146 1.00 0.00 H new ATOM 0 HA SER A 1 4.312 -9.419 14.667 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.399 -9.588 13.776 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.789 -10.029 12.805 1.00 0.00 H new ATOM 0 HG SER A 1 1.879 -11.841 13.909 1.00 0.00 H new ATOM 13 N HIS A 2 4.153 -7.374 13.019 1.00 0.00 N ATOM 14 CA HIS A 2 4.247 -6.053 12.343 1.00 0.00 C ATOM 15 C HIS A 2 5.239 -6.159 11.173 1.00 0.00 C ATOM 16 O HIS A 2 4.828 -6.599 10.095 1.00 0.00 O ATOM 17 CB HIS A 2 4.551 -4.881 13.311 1.00 0.00 C ATOM 18 CG HIS A 2 5.730 -4.975 14.236 1.00 0.00 C ATOM 19 ND1 HIS A 2 6.513 -3.901 14.592 1.00 0.00 N ATOM 20 CD2 HIS A 2 6.146 -6.046 14.986 1.00 0.00 C ATOM 21 CE1 HIS A 2 7.384 -4.325 15.518 1.00 0.00 C ATOM 22 NE2 HIS A 2 7.209 -5.628 15.781 1.00 0.00 N ATOM 0 H HIS A 2 4.799 -8.068 12.642 1.00 0.00 H new ATOM 0 HA HIS A 2 3.266 -5.799 11.942 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.680 -3.983 12.707 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.664 -4.727 13.926 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.723 -7.039 14.963 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.128 -3.700 15.990 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.747 -6.199 16.433 1.00 0.00 H new ATOM 30 N MET A 3 6.544 -5.973 11.444 1.00 0.00 N ATOM 31 CA MET A 3 7.710 -6.187 10.570 1.00 0.00 C ATOM 32 C MET A 3 7.870 -7.591 9.946 1.00 0.00 C ATOM 33 O MET A 3 8.924 -7.847 9.384 1.00 0.00 O ATOM 34 CB MET A 3 8.974 -5.788 11.366 1.00 0.00 C ATOM 35 CG MET A 3 9.120 -6.478 12.738 1.00 0.00 C ATOM 36 SD MET A 3 8.905 -8.280 12.839 1.00 0.00 S ATOM 37 CE MET A 3 10.484 -8.814 12.133 1.00 0.00 C ATOM 0 H MET A 3 6.834 -5.639 12.363 1.00 0.00 H new ATOM 0 HA MET A 3 7.549 -5.558 9.694 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.853 -6.018 10.764 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.965 -4.709 11.517 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.112 -6.242 13.122 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.399 -6.021 13.416 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.451 -9.885 11.936 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.665 -8.279 11.201 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.288 -8.600 12.837 1.00 0.00 H new ATOM 47 N THR A 4 6.868 -8.464 9.992 1.00 0.00 N ATOM 48 CA THR A 4 6.882 -9.753 9.275 1.00 0.00 C ATOM 49 C THR A 4 5.810 -9.815 8.227 1.00 0.00 C ATOM 50 O THR A 4 6.100 -9.976 7.052 1.00 0.00 O ATOM 51 CB THR A 4 6.861 -10.923 10.244 1.00 0.00 C ATOM 52 OG1 THR A 4 7.338 -12.058 9.572 1.00 0.00 O ATOM 53 CG2 THR A 4 5.529 -11.279 10.913 1.00 0.00 C ATOM 0 H THR A 4 6.015 -8.304 10.528 1.00 0.00 H new ATOM 0 HA THR A 4 7.824 -9.833 8.732 1.00 0.00 H new ATOM 0 HB THR A 4 7.488 -10.593 11.072 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.334 -12.825 10.182 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.671 -12.133 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.173 -10.426 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.794 -11.531 10.149 1.00 0.00 H new ATOM 61 N ALA A 5 4.572 -9.561 8.638 1.00 0.00 N ATOM 62 CA ALA A 5 3.408 -9.605 7.794 1.00 0.00 C ATOM 63 C ALA A 5 3.420 -8.432 6.809 1.00 0.00 C ATOM 64 O ALA A 5 3.221 -8.656 5.622 1.00 0.00 O ATOM 65 CB ALA A 5 2.226 -9.615 8.762 1.00 0.00 C ATOM 0 H ALA A 5 4.356 -9.311 9.603 1.00 0.00 H new ATOM 0 HA ALA A 5 3.360 -10.484 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.294 -9.648 8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.291 -10.491 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.248 -8.713 9.373 1.00 0.00 H new ATOM 71 N VAL A 6 3.735 -7.217 7.278 1.00 0.00 N ATOM 72 CA VAL A 6 4.043 -6.063 6.429 1.00 0.00 C ATOM 73 C VAL A 6 5.194 -6.381 5.483 1.00 0.00 C ATOM 74 O VAL A 6 5.194 -5.916 4.354 1.00 0.00 O ATOM 75 CB VAL A 6 4.336 -4.805 7.279 1.00 0.00 C ATOM 76 CG1 VAL A 6 5.798 -4.655 7.735 1.00 0.00 C ATOM 77 CG2 VAL A 6 3.888 -3.535 6.548 1.00 0.00 C ATOM 0 H VAL A 6 3.783 -7.007 8.275 1.00 0.00 H new ATOM 0 HA VAL A 6 3.165 -5.845 5.822 1.00 0.00 H new ATOM 0 HB VAL A 6 3.753 -4.945 8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.904 -3.744 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.080 -5.515 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.448 -4.600 6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.105 -2.664 7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.424 -3.451 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.816 -3.585 6.355 1.00 0.00 H new ATOM 87 N GLN A 7 6.173 -7.171 5.924 1.00 0.00 N ATOM 88 CA GLN A 7 7.412 -7.343 5.172 1.00 0.00 C ATOM 89 C GLN A 7 7.224 -8.248 3.973 1.00 0.00 C ATOM 90 O GLN A 7 7.424 -7.829 2.836 1.00 0.00 O ATOM 91 CB GLN A 7 8.520 -7.826 6.129 1.00 0.00 C ATOM 92 CG GLN A 7 9.946 -7.579 5.619 1.00 0.00 C ATOM 93 CD GLN A 7 10.289 -6.109 5.815 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.600 -5.230 5.106 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.046 -5.727 6.697 1.00 0.00 N flip ATOM 0 H GLN A 7 6.131 -7.700 6.795 1.00 0.00 H new ATOM 0 HA GLN A 7 7.720 -6.384 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.398 -7.325 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.390 -8.893 6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.654 -8.207 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.022 -7.847 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.577 -6.406 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.146 -4.730 6.886 1.00 0.00 H new ATOM 104 N ASP A 8 6.729 -9.437 4.272 1.00 0.00 N ATOM 105 CA ASP A 8 6.246 -10.458 3.328 1.00 0.00 C ATOM 106 C ASP A 8 5.359 -9.808 2.265 1.00 0.00 C ATOM 107 O ASP A 8 5.654 -9.871 1.076 1.00 0.00 O ATOM 108 CB ASP A 8 5.426 -11.539 4.076 1.00 0.00 C ATOM 109 CG ASP A 8 4.722 -12.557 3.153 1.00 0.00 C ATOM 110 OD1 ASP A 8 3.537 -12.264 2.729 1.00 0.00 O ATOM 111 OD2 ASP A 8 5.314 -13.604 2.900 1.00 0.00 O1- ATOM 0 H ASP A 8 6.644 -9.745 5.241 1.00 0.00 H new ATOM 0 HA ASP A 8 7.110 -10.923 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.090 -12.078 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.675 -11.046 4.693 1.00 0.00 H new ATOM 116 N PHE A 9 4.312 -9.112 2.725 1.00 0.00 N ATOM 117 CA PHE A 9 3.431 -8.400 1.823 1.00 0.00 C ATOM 118 C PHE A 9 4.188 -7.349 0.994 1.00 0.00 C ATOM 119 O PHE A 9 4.040 -7.316 -0.221 1.00 0.00 O ATOM 120 CB PHE A 9 2.310 -7.720 2.611 1.00 0.00 C ATOM 121 CG PHE A 9 1.481 -6.947 1.615 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.684 -7.634 0.684 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.798 -5.598 1.397 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.213 -6.959 -0.456 1.00 0.00 C ATOM 125 CE2 PHE A 9 1.336 -4.940 0.253 1.00 0.00 C ATOM 126 CZ PHE A 9 0.501 -5.602 -0.654 1.00 0.00 C ATOM 0 H PHE A 9 4.065 -9.034 3.711 1.00 0.00 H new ATOM 0 HA PHE A 9 3.008 -9.131 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.700 -8.459 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.720 -7.055 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.435 -8.673 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.402 -5.065 2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.377 -7.492 -1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.625 -3.916 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.083 -5.073 -1.498 1.00 0.00 H new ATOM 136 N VAL A 10 4.953 -6.459 1.635 1.00 0.00 N ATOM 137 CA VAL A 10 5.658 -5.361 0.937 1.00 0.00 C ATOM 138 C VAL A 10 6.629 -5.899 -0.128 1.00 0.00 C ATOM 139 O VAL A 10 6.622 -5.396 -1.252 1.00 0.00 O ATOM 140 CB VAL A 10 6.362 -4.397 1.924 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.418 -3.482 1.274 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.323 -3.474 2.590 1.00 0.00 C ATOM 0 H VAL A 10 5.105 -6.472 2.644 1.00 0.00 H new ATOM 0 HA VAL A 10 4.899 -4.776 0.418 1.00 0.00 H new ATOM 0 HB VAL A 10 6.867 -5.047 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.861 -2.840 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.196 -4.093 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.944 -2.865 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.826 -2.799 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.810 -2.892 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.597 -4.077 3.135 1.00 0.00 H new ATOM 152 N VAL A 11 7.410 -6.941 0.183 1.00 0.00 N ATOM 153 CA VAL A 11 8.321 -7.617 -0.770 1.00 0.00 C ATOM 154 C VAL A 11 7.600 -8.230 -2.001 1.00 0.00 C ATOM 155 O VAL A 11 8.243 -8.436 -3.032 1.00 0.00 O ATOM 156 CB VAL A 11 9.143 -8.702 -0.020 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.014 -9.595 -0.921 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.079 -8.067 1.023 1.00 0.00 C ATOM 0 H VAL A 11 7.432 -7.350 1.117 1.00 0.00 H new ATOM 0 HA VAL A 11 8.984 -6.850 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 11 8.380 -9.329 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.549 -10.320 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.380 -10.121 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.732 -8.977 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.641 -8.850 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.771 -7.388 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.488 -7.512 1.752 1.00 0.00 H new ATOM 168 N ASP A 12 6.286 -8.490 -1.935 1.00 0.00 N ATOM 169 CA ASP A 12 5.453 -8.972 -3.059 1.00 0.00 C ATOM 170 C ASP A 12 5.347 -7.941 -4.201 1.00 0.00 C ATOM 171 O ASP A 12 5.209 -8.305 -5.358 1.00 0.00 O ATOM 172 CB ASP A 12 4.046 -9.278 -2.500 1.00 0.00 C ATOM 173 CG ASP A 12 3.177 -10.269 -3.279 1.00 0.00 C ATOM 174 OD1 ASP A 12 2.554 -9.872 -4.291 1.00 0.00 O ATOM 175 OD2 ASP A 12 3.009 -11.407 -2.770 1.00 0.00 O1- ATOM 0 H ASP A 12 5.753 -8.369 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 12 5.918 -9.861 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.162 -9.658 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.501 -8.337 -2.427 1.00 0.00 H new ATOM 180 N ILE A 13 5.428 -6.650 -3.871 1.00 0.00 N ATOM 181 CA ILE A 13 5.614 -5.478 -4.760 1.00 0.00 C ATOM 182 C ILE A 13 7.119 -5.248 -4.985 1.00 0.00 C ATOM 183 O ILE A 13 7.534 -4.974 -6.105 1.00 0.00 O ATOM 184 CB ILE A 13 4.974 -4.260 -4.096 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.442 -4.348 -3.950 1.00 0.00 C ATOM 186 CG2 ILE A 13 5.288 -3.031 -4.965 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.847 -5.494 -3.133 1.00 0.00 C ATOM 0 H ILE A 13 5.361 -6.363 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 13 5.142 -5.648 -5.727 1.00 0.00 H new ATOM 0 HB ILE A 13 5.387 -4.199 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.098 -3.413 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.017 -4.401 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.843 -2.144 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.368 -2.900 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.876 -3.177 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.760 -5.412 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.137 -6.446 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.219 -5.443 -2.110 1.00 0.00 H new ATOM 199 N LEU A 14 7.937 -5.244 -3.921 1.00 0.00 N ATOM 200 CA LEU A 14 9.170 -4.455 -3.919 1.00 0.00 C ATOM 201 C LEU A 14 10.286 -5.073 -4.768 1.00 0.00 C ATOM 202 O LEU A 14 10.952 -4.400 -5.556 1.00 0.00 O ATOM 203 CB LEU A 14 9.660 -4.269 -2.468 1.00 0.00 C ATOM 204 CG LEU A 14 10.084 -2.830 -2.137 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.859 -2.768 -0.821 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.926 -2.159 -3.232 1.00 0.00 C ATOM 0 H LEU A 14 7.767 -5.771 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 14 8.931 -3.492 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.866 -4.570 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.503 -4.936 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 14 9.147 -2.278 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.145 -1.736 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.231 -3.139 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.755 -3.384 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.185 -1.146 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.838 -2.734 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.353 -2.120 -4.159 1.00 0.00 H new ATOM 218 N LEU A 15 10.513 -6.373 -4.555 1.00 0.00 N ATOM 219 CA LEU A 15 11.502 -7.165 -5.287 1.00 0.00 C ATOM 220 C LEU A 15 10.827 -8.009 -6.378 1.00 0.00 C ATOM 221 O LEU A 15 11.372 -8.119 -7.472 1.00 0.00 O ATOM 222 CB LEU A 15 12.270 -8.102 -4.331 1.00 0.00 C ATOM 223 CG LEU A 15 13.382 -7.446 -3.480 1.00 0.00 C ATOM 224 CD1 LEU A 15 12.886 -6.375 -2.499 1.00 0.00 C ATOM 225 CD2 LEU A 15 14.104 -8.543 -2.687 1.00 0.00 C ATOM 0 H LEU A 15 10.004 -6.913 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 15 12.201 -6.469 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.551 -8.567 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.717 -8.902 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 15 14.043 -6.936 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.732 -5.969 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.397 -5.573 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.176 -6.821 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.892 -8.095 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.391 -9.051 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.542 -9.263 -3.378 1.00 0.00 H new ATOM 237 N ASN A 16 9.670 -8.615 -6.072 1.00 0.00 N ATOM 238 CA ASN A 16 8.920 -9.435 -7.031 1.00 0.00 C ATOM 239 C ASN A 16 8.196 -8.601 -8.098 1.00 0.00 C ATOM 240 O ASN A 16 7.949 -9.112 -9.198 1.00 0.00 O ATOM 241 CB ASN A 16 7.866 -10.261 -6.286 1.00 0.00 C ATOM 242 CG ASN A 16 8.444 -11.380 -5.452 1.00 0.00 C ATOM 243 OD1 ASN A 16 8.687 -12.476 -5.937 1.00 0.00 O ATOM 244 ND2 ASN A 16 8.678 -11.143 -4.173 1.00 0.00 N ATOM 0 H ASN A 16 9.230 -8.550 -5.154 1.00 0.00 H new ATOM 0 HA ASN A 16 9.651 -10.069 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.290 -9.599 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.170 -10.683 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.065 -11.878 -3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.472 -10.225 -3.778 1.00 0.00 H new ATOM 251 N GLY A 17 7.836 -7.348 -7.778 1.00 0.00 N ATOM 252 CA GLY A 17 7.009 -6.453 -8.592 1.00 0.00 C ATOM 253 C GLY A 17 5.526 -6.567 -8.269 1.00 0.00 C ATOM 254 O GLY A 17 4.984 -7.647 -8.086 1.00 0.00 O ATOM 0 H GLY A 17 8.129 -6.914 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.333 -5.424 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.165 -6.680 -9.647 1.00 0.00 H new ATOM 258 N ALA A 18 4.827 -5.441 -8.257 1.00 0.00 N ATOM 259 CA ALA A 18 3.357 -5.470 -8.141 1.00 0.00 C ATOM 260 C ALA A 18 2.755 -6.242 -9.336 1.00 0.00 C ATOM 261 O ALA A 18 3.436 -6.633 -10.276 1.00 0.00 O ATOM 262 CB ALA A 18 2.849 -4.022 -8.076 1.00 0.00 C ATOM 0 H ALA A 18 5.234 -4.508 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 18 3.047 -5.988 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.762 -4.021 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.282 -3.523 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.141 -3.493 -8.983 1.00 0.00 H new ATOM 268 N ARG A 19 1.426 -6.320 -9.365 1.00 0.00 N ATOM 269 CA ARG A 19 0.667 -6.479 -10.586 1.00 0.00 C ATOM 270 C ARG A 19 0.947 -5.391 -11.646 1.00 0.00 C ATOM 271 O ARG A 19 1.946 -4.685 -11.685 1.00 0.00 O ATOM 272 CB ARG A 19 -0.857 -6.642 -10.292 1.00 0.00 C ATOM 273 CG ARG A 19 -1.415 -7.554 -9.174 1.00 0.00 C ATOM 274 CD ARG A 19 -0.710 -8.889 -8.849 1.00 0.00 C ATOM 275 NE ARG A 19 0.729 -8.837 -8.463 1.00 0.00 N ATOM 276 CZ ARG A 19 1.232 -9.061 -7.233 1.00 0.00 C ATOM 277 NH1 ARG A 19 0.527 -9.419 -6.177 1.00 0.00 N ATOM 278 NH2 ARG A 19 2.514 -8.935 -7.000 1.00 0.00 N ATOM 0 H ARG A 19 0.847 -6.273 -8.527 1.00 0.00 H new ATOM 0 HA ARG A 19 1.020 -7.406 -11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.240 -5.641 -10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.315 -6.980 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.438 -6.966 -8.256 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.449 -7.786 -9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.258 -9.369 -8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.800 -9.537 -9.721 1.00 0.00 H new ATOM 0 HE ARG A 19 1.397 -8.610 -9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.482 -9.547 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.991 -9.568 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.145 -8.664 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.882 -9.107 -6.064 1.00 0.00 H new ATOM 292 N ASP A 20 -0.011 -5.267 -12.531 1.00 0.00 N ATOM 293 CA ASP A 20 -0.170 -4.229 -13.570 1.00 0.00 C ATOM 294 C ASP A 20 -0.027 -2.716 -13.114 1.00 0.00 C ATOM 295 O ASP A 20 -0.275 -1.762 -13.861 1.00 0.00 O ATOM 296 CB ASP A 20 -1.583 -4.517 -14.112 1.00 0.00 C ATOM 297 CG ASP A 20 -1.566 -4.907 -15.585 1.00 0.00 C ATOM 298 OD1 ASP A 20 -1.591 -6.105 -15.903 1.00 0.00 O ATOM 299 OD2 ASP A 20 -1.495 -3.981 -16.441 1.00 0.00 O1- ATOM 0 H ASP A 20 -0.777 -5.940 -12.562 1.00 0.00 H new ATOM 0 HA ASP A 20 0.643 -4.301 -14.292 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.037 -5.320 -13.531 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.208 -3.634 -13.979 1.00 0.00 H new ATOM 304 N TRP A 21 0.381 -2.478 -11.857 1.00 0.00 N ATOM 305 CA TRP A 21 0.875 -1.249 -11.293 1.00 0.00 C ATOM 306 C TRP A 21 2.365 -0.915 -11.705 1.00 0.00 C ATOM 307 O TRP A 21 3.151 -1.730 -12.194 1.00 0.00 O ATOM 308 CB TRP A 21 0.745 -1.365 -9.745 1.00 0.00 C ATOM 309 CG TRP A 21 -0.602 -1.740 -9.163 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.442 -2.730 -9.554 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.353 -0.999 -8.161 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.671 -2.589 -8.942 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.691 -1.485 -8.119 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.040 0.100 -7.345 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.682 -0.871 -7.342 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -2.025 0.749 -6.582 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.337 0.252 -6.572 1.00 0.00 C ATOM 0 H TRP A 21 0.365 -3.222 -11.160 1.00 0.00 H new ATOM 0 HA TRP A 21 0.282 -0.424 -11.686 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.471 -2.103 -9.405 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.038 -0.408 -9.314 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.185 -3.518 -10.247 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.461 -3.220 -9.081 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.020 0.454 -7.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.692 -1.254 -7.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.773 1.627 -6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.088 0.737 -5.967 1.00 0.00 H new ATOM 328 N ASP A 22 2.763 0.318 -11.383 1.00 0.00 N ATOM 329 CA ASP A 22 4.138 0.776 -11.243 1.00 0.00 C ATOM 330 C ASP A 22 4.618 0.286 -9.866 1.00 0.00 C ATOM 331 O ASP A 22 3.805 -0.087 -9.016 1.00 0.00 O ATOM 332 CB ASP A 22 4.245 2.310 -11.312 1.00 0.00 C ATOM 333 CG ASP A 22 4.081 2.944 -12.697 1.00 0.00 C ATOM 334 OD1 ASP A 22 2.993 3.486 -13.014 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.103 2.978 -13.425 1.00 0.00 O1- ATOM 0 H ASP A 22 2.091 1.064 -11.203 1.00 0.00 H new ATOM 0 HA ASP A 22 4.746 0.383 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.490 2.735 -10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.217 2.603 -10.916 1.00 0.00 H new ATOM 340 N VAL A 23 5.924 0.280 -9.635 1.00 0.00 N ATOM 341 CA VAL A 23 6.536 0.070 -8.332 1.00 0.00 C ATOM 342 C VAL A 23 7.129 1.431 -8.094 1.00 0.00 C ATOM 343 O VAL A 23 8.078 1.854 -8.751 1.00 0.00 O ATOM 344 CB VAL A 23 7.619 -1.044 -8.335 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.503 -1.019 -7.073 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.961 -2.429 -8.460 1.00 0.00 C ATOM 0 H VAL A 23 6.609 0.426 -10.376 1.00 0.00 H new ATOM 0 HA VAL A 23 5.841 -0.274 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 23 8.260 -0.850 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.241 -1.819 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.013 -0.058 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.880 -1.162 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.732 -3.199 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.288 -2.590 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.396 -2.481 -9.391 1.00 0.00 H new ATOM 356 N LEU A 24 6.469 2.124 -7.207 1.00 0.00 N ATOM 357 CA LEU A 24 6.940 3.413 -6.827 1.00 0.00 C ATOM 358 C LEU A 24 7.554 3.338 -5.404 1.00 0.00 C ATOM 359 O LEU A 24 7.114 2.691 -4.488 1.00 0.00 O ATOM 360 CB LEU A 24 5.763 4.362 -6.850 1.00 0.00 C ATOM 361 CG LEU A 24 5.812 5.533 -7.822 1.00 0.00 C ATOM 362 CD1 LEU A 24 7.039 6.397 -7.556 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.731 5.033 -9.264 1.00 0.00 C ATOM 0 H LEU A 24 5.614 1.817 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 24 7.711 3.765 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.868 3.780 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.639 4.766 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 24 4.943 6.172 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.058 7.229 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.998 6.784 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.940 5.797 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.767 5.882 -9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.571 4.369 -9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.797 4.491 -9.409 1.00 0.00 H new ATOM 375 N GLN A 25 8.589 4.092 -5.232 1.00 0.00 N ATOM 376 CA GLN A 25 9.178 4.355 -3.930 1.00 0.00 C ATOM 377 C GLN A 25 9.016 5.838 -3.690 1.00 0.00 C ATOM 378 O GLN A 25 9.929 6.620 -3.966 1.00 0.00 O ATOM 379 CB GLN A 25 10.616 3.879 -3.828 1.00 0.00 C ATOM 380 CG GLN A 25 10.813 2.360 -4.167 1.00 0.00 C ATOM 381 CD GLN A 25 10.225 1.423 -3.125 1.00 0.00 C ATOM 382 OE1 GLN A 25 10.852 1.144 -2.117 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.021 0.908 -3.298 1.00 0.00 N ATOM 0 H GLN A 25 9.071 4.560 -6.000 1.00 0.00 H new ATOM 0 HA GLN A 25 8.672 3.788 -3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.233 4.474 -4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.978 4.065 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.354 2.149 -5.133 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.879 2.154 -4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.486 1.133 -4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.627 0.285 -2.593 1.00 0.00 H new ATOM 392 N THR A 26 7.838 6.192 -3.136 1.00 0.00 N ATOM 393 CA THR A 26 7.534 7.511 -2.624 1.00 0.00 C ATOM 394 C THR A 26 6.647 7.441 -1.344 1.00 0.00 C ATOM 395 O THR A 26 6.295 6.354 -0.887 1.00 0.00 O ATOM 396 CB THR A 26 7.028 8.380 -3.790 1.00 0.00 C ATOM 397 OG1 THR A 26 6.952 9.702 -3.336 1.00 0.00 O ATOM 398 CG2 THR A 26 5.662 7.934 -4.345 1.00 0.00 C ATOM 0 H THR A 26 7.062 5.538 -3.038 1.00 0.00 H new ATOM 0 HA THR A 26 8.423 8.018 -2.249 1.00 0.00 H new ATOM 0 HB THR A 26 7.730 8.276 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.633 10.279 -4.061 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.369 8.592 -5.163 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.735 6.910 -4.711 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.914 7.984 -3.554 1.00 0.00 H new ATOM 406 N THR A 27 6.316 8.562 -0.718 1.00 0.00 N ATOM 407 CA THR A 27 5.454 8.677 0.451 1.00 0.00 C ATOM 408 C THR A 27 4.400 9.741 0.142 1.00 0.00 C ATOM 409 O THR A 27 4.700 10.755 -0.486 1.00 0.00 O ATOM 410 CB THR A 27 6.252 9.075 1.698 1.00 0.00 C ATOM 411 OG1 THR A 27 6.886 10.314 1.492 1.00 0.00 O ATOM 412 CG2 THR A 27 7.324 8.064 2.109 1.00 0.00 C ATOM 0 H THR A 27 6.662 9.469 -1.031 1.00 0.00 H new ATOM 0 HA THR A 27 4.989 7.714 0.661 1.00 0.00 H new ATOM 0 HB THR A 27 5.518 9.121 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.392 10.560 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.841 8.423 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.855 7.104 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.041 7.944 1.297 1.00 0.00 H new ATOM 420 N CYS A 28 3.179 9.505 0.597 1.00 0.00 N ATOM 421 CA CYS A 28 1.976 10.300 0.399 1.00 0.00 C ATOM 422 C CYS A 28 1.481 10.920 1.693 1.00 0.00 C ATOM 423 O CYS A 28 1.776 10.405 2.765 1.00 0.00 O ATOM 424 CB CYS A 28 0.975 9.308 -0.171 1.00 0.00 C ATOM 425 SG CYS A 28 -0.763 9.753 0.000 1.00 0.00 S ATOM 0 H CYS A 28 2.988 8.679 1.164 1.00 0.00 H new ATOM 0 HA CYS A 28 2.146 11.150 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.192 9.171 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.132 8.344 0.314 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.311 9.824 -1.177 1.00 0.00 H new ATOM 431 N THR A 29 0.664 11.965 1.569 1.00 0.00 N ATOM 432 CA THR A 29 0.141 12.724 2.700 1.00 0.00 C ATOM 433 C THR A 29 -1.376 12.769 2.733 1.00 0.00 C ATOM 434 O THR A 29 -1.995 13.314 1.826 1.00 0.00 O ATOM 435 CB THR A 29 0.658 14.178 2.673 1.00 0.00 C ATOM 436 OG1 THR A 29 2.042 14.230 2.398 1.00 0.00 O ATOM 437 CG2 THR A 29 0.395 14.911 3.986 1.00 0.00 C ATOM 0 H THR A 29 0.343 12.312 0.665 1.00 0.00 H new ATOM 0 HA THR A 29 0.494 12.203 3.590 1.00 0.00 H new ATOM 0 HB THR A 29 0.106 14.675 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.338 15.164 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.777 15.930 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.677 14.938 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.897 14.390 4.801 1.00 0.00 H new ATOM 445 N VAL A 30 -1.953 12.253 3.825 1.00 0.00 N ATOM 446 CA VAL A 30 -3.420 12.253 4.113 1.00 0.00 C ATOM 447 C VAL A 30 -3.700 12.174 5.640 1.00 0.00 C ATOM 448 O VAL A 30 -2.917 11.573 6.364 1.00 0.00 O ATOM 449 CB VAL A 30 -4.170 11.111 3.357 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.658 11.072 3.739 1.00 0.00 C ATOM 451 CG2 VAL A 30 -4.120 11.224 1.824 1.00 0.00 C ATOM 0 H VAL A 30 -1.409 11.807 4.564 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.809 13.201 3.743 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.642 10.208 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.152 10.266 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.754 10.899 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.125 12.023 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.665 10.391 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.577 12.164 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.083 11.197 1.491 1.00 0.00 H new ATOM 461 N ASP A 31 -4.760 12.824 6.133 1.00 0.00 N ATOM 462 CA ASP A 31 -5.270 12.827 7.532 1.00 0.00 C ATOM 463 C ASP A 31 -4.369 13.532 8.555 1.00 0.00 C ATOM 464 O ASP A 31 -4.608 13.432 9.767 1.00 0.00 O ATOM 465 CB ASP A 31 -5.516 11.386 8.015 1.00 0.00 C ATOM 466 CG ASP A 31 -6.918 11.108 8.569 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.042 10.034 9.194 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.869 11.909 8.415 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.336 13.410 5.528 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.195 13.402 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.331 10.706 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.785 11.150 8.788 1.00 0.00 H new ATOM 473 N ARG A 32 -3.404 14.329 8.074 1.00 0.00 N ATOM 474 CA ARG A 32 -2.250 14.844 8.838 1.00 0.00 C ATOM 475 C ARG A 32 -1.252 13.715 9.211 1.00 0.00 C ATOM 476 O ARG A 32 -0.559 13.773 10.223 1.00 0.00 O ATOM 477 CB ARG A 32 -2.680 15.629 10.088 1.00 0.00 C ATOM 478 CG ARG A 32 -3.739 16.702 9.773 1.00 0.00 C ATOM 479 CD ARG A 32 -4.612 17.009 10.997 1.00 0.00 C ATOM 480 NE ARG A 32 -5.468 15.855 11.321 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.609 15.881 11.997 1.00 0.00 C ATOM 482 NH1 ARG A 32 -7.043 16.975 12.588 1.00 0.00 N ATOM 483 NH2 ARG A 32 -7.318 14.775 12.062 1.00 0.00 N ATOM 0 H ARG A 32 -3.403 14.647 7.105 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.734 15.541 8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.078 14.936 10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.806 16.105 10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.245 17.615 9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.370 16.362 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.979 17.251 11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.231 17.884 10.800 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.151 14.943 10.992 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.497 17.835 12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.925 16.962 13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.986 13.928 11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.200 14.764 12.575 1.00 0.00 H new ATOM 497 N LYS A 33 -1.228 12.682 8.380 1.00 0.00 N ATOM 498 CA LYS A 33 -0.370 11.525 8.421 1.00 0.00 C ATOM 499 C LYS A 33 0.314 11.423 7.073 1.00 0.00 C ATOM 500 O LYS A 33 -0.142 11.965 6.056 1.00 0.00 O ATOM 501 CB LYS A 33 -1.236 10.272 8.610 1.00 0.00 C ATOM 502 CG LYS A 33 -0.928 9.529 9.897 1.00 0.00 C ATOM 503 CD LYS A 33 0.351 8.666 9.913 1.00 0.00 C ATOM 504 CE LYS A 33 0.166 7.417 9.032 1.00 0.00 C ATOM 505 NZ LYS A 33 -0.849 6.498 9.581 1.00 0.00 N ATOM 0 H LYS A 33 -1.872 12.637 7.590 1.00 0.00 H new ATOM 0 HA LYS A 33 0.353 11.607 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.287 10.559 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.085 9.601 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.855 10.260 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.776 8.884 10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.197 9.251 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.583 8.367 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.127 7.722 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.118 6.893 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.412 5.575 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.234 6.893 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.618 6.378 8.891 1.00 0.00 H new ATOM 519 N VAL A 34 1.380 10.658 7.063 1.00 0.00 N ATOM 520 CA VAL A 34 2.101 10.336 5.844 1.00 0.00 C ATOM 521 C VAL A 34 2.295 8.833 5.806 1.00 0.00 C ATOM 522 O VAL A 34 2.562 8.211 6.832 1.00 0.00 O ATOM 523 CB VAL A 34 3.414 11.137 5.742 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.458 10.587 4.750 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.141 12.608 5.402 1.00 0.00 C ATOM 0 H VAL A 34 1.778 10.237 7.903 1.00 0.00 H new ATOM 0 HA VAL A 34 1.531 10.631 4.963 1.00 0.00 H new ATOM 0 HB VAL A 34 3.852 11.035 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.341 11.226 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.740 9.575 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.033 10.570 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.086 13.148 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.621 12.670 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.522 13.053 6.181 1.00 0.00 H new ATOM 535 N TYR A 35 2.070 8.268 4.629 1.00 0.00 N ATOM 536 CA TYR A 35 2.063 6.844 4.328 1.00 0.00 C ATOM 537 C TYR A 35 3.098 6.573 3.264 1.00 0.00 C ATOM 538 O TYR A 35 3.276 7.370 2.346 1.00 0.00 O ATOM 539 CB TYR A 35 0.699 6.462 3.759 1.00 0.00 C ATOM 540 CG TYR A 35 -0.425 6.771 4.696 1.00 0.00 C ATOM 541 CD1 TYR A 35 -1.110 7.999 4.582 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.696 5.864 5.732 1.00 0.00 C ATOM 543 CE1 TYR A 35 -2.107 8.325 5.519 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.698 6.192 6.660 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.404 7.417 6.566 1.00 0.00 C ATOM 546 OH TYR A 35 -3.302 7.756 7.536 1.00 0.00 O ATOM 0 H TYR A 35 1.874 8.832 3.802 1.00 0.00 H new ATOM 0 HA TYR A 35 2.274 6.274 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.540 6.993 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.692 5.397 3.528 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.871 8.683 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.148 4.937 5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.642 9.260 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.934 5.501 7.456 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.388 7.018 8.175 1.00 0.00 H new ATOM 556 N LYS A 36 3.762 5.427 3.338 1.00 0.00 N ATOM 557 CA LYS A 36 4.825 5.127 2.403 1.00 0.00 C ATOM 558 C LYS A 36 4.295 4.225 1.292 1.00 0.00 C ATOM 559 O LYS A 36 3.794 3.142 1.565 1.00 0.00 O ATOM 560 CB LYS A 36 5.998 4.524 3.162 1.00 0.00 C ATOM 561 CG LYS A 36 6.410 5.168 4.505 1.00 0.00 C ATOM 562 CD LYS A 36 7.437 4.334 5.295 1.00 0.00 C ATOM 563 CE LYS A 36 8.641 3.899 4.446 1.00 0.00 C ATOM 564 NZ LYS A 36 9.810 3.487 5.266 1.00 0.00 N ATOM 0 H LYS A 36 3.582 4.700 4.030 1.00 0.00 H new ATOM 0 HA LYS A 36 5.187 6.034 1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.767 3.476 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.866 4.544 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.827 6.156 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.521 5.311 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.791 4.916 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.945 3.449 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.345 3.070 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.934 4.721 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.591 3.204 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.114 4.284 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.544 2.684 5.871 1.00 0.00 H new ATOM 578 N THR A 37 4.363 4.692 0.047 1.00 0.00 N ATOM 579 CA THR A 37 3.855 4.036 -1.155 1.00 0.00 C ATOM 580 C THR A 37 4.793 2.899 -1.526 1.00 0.00 C ATOM 581 O THR A 37 5.977 2.932 -1.200 1.00 0.00 O ATOM 582 CB THR A 37 3.666 4.995 -2.342 1.00 0.00 C ATOM 583 OG1 THR A 37 4.908 5.216 -2.953 1.00 0.00 O ATOM 584 CG2 THR A 37 3.098 6.372 -1.958 1.00 0.00 C ATOM 0 H THR A 37 4.799 5.590 -0.161 1.00 0.00 H new ATOM 0 HA THR A 37 2.861 3.652 -0.927 1.00 0.00 H new ATOM 0 HB THR A 37 2.945 4.512 -3.002 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.564 5.482 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.996 6.986 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.121 6.245 -1.492 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.774 6.862 -1.257 1.00 0.00 H new ATOM 592 N ILE A 38 4.255 1.917 -2.235 1.00 0.00 N ATOM 593 CA ILE A 38 5.038 0.833 -2.838 1.00 0.00 C ATOM 594 C ILE A 38 4.856 0.745 -4.338 1.00 0.00 C ATOM 595 O ILE A 38 5.720 0.273 -5.065 1.00 0.00 O ATOM 596 CB ILE A 38 4.590 -0.542 -2.312 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.955 -0.529 -0.902 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.921 -1.337 -2.246 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.604 -1.937 -0.413 1.00 0.00 C ATOM 0 H ILE A 38 3.253 1.844 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 38 6.071 1.065 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 38 3.813 -0.952 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.645 -0.064 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.054 0.084 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.725 -2.345 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.362 -1.392 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.612 -0.834 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.161 -1.877 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.892 -2.394 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.509 -2.544 -0.371 1.00 0.00 H new ATOM 611 N CYS A 39 3.652 1.074 -4.773 1.00 0.00 N ATOM 612 CA CYS A 39 3.208 0.815 -6.120 1.00 0.00 C ATOM 613 C CYS A 39 2.026 1.675 -6.430 1.00 0.00 C ATOM 614 O CYS A 39 1.242 1.994 -5.535 1.00 0.00 O ATOM 615 CB CYS A 39 2.879 -0.664 -6.306 1.00 0.00 C ATOM 616 SG CYS A 39 2.017 -1.525 -4.970 1.00 0.00 S ATOM 0 H CYS A 39 2.952 1.533 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 39 4.011 1.061 -6.815 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.274 -0.759 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.814 -1.192 -6.493 1.00 0.00 H new ATOM 0 HG CYS A 39 1.966 -0.758 -3.921 1.00 0.00 H new ATOM 622 N LYS A 40 1.924 2.025 -7.703 1.00 0.00 N ATOM 623 CA LYS A 40 0.965 2.971 -8.175 1.00 0.00 C ATOM 624 C LYS A 40 0.195 2.460 -9.380 1.00 0.00 C ATOM 625 O LYS A 40 0.809 1.931 -10.297 1.00 0.00 O ATOM 626 CB LYS A 40 1.775 4.231 -8.499 1.00 0.00 C ATOM 627 CG LYS A 40 0.899 5.390 -8.924 1.00 0.00 C ATOM 628 CD LYS A 40 1.688 6.401 -9.768 1.00 0.00 C ATOM 629 CE LYS A 40 0.764 7.512 -10.273 1.00 0.00 C ATOM 630 NZ LYS A 40 1.539 8.655 -10.815 1.00 0.00 N ATOM 0 H LYS A 40 2.522 1.645 -8.437 1.00 0.00 H new ATOM 0 HA LYS A 40 0.196 3.167 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.356 4.521 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.487 4.007 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.051 5.017 -9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.494 5.886 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.493 6.832 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.153 5.894 -10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.106 7.117 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.127 7.856 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.918 9.250 -11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.920 9.220 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.324 8.298 -11.396 1.00 0.00 H new ATOM 644 N ARG A 41 -1.122 2.612 -9.412 1.00 0.00 N ATOM 645 CA ARG A 41 -1.866 2.418 -10.634 1.00 0.00 C ATOM 646 C ARG A 41 -2.879 3.521 -10.794 1.00 0.00 C ATOM 647 O ARG A 41 -3.800 3.693 -10.013 1.00 0.00 O ATOM 648 CB ARG A 41 -2.521 1.056 -10.654 1.00 0.00 C ATOM 649 CG ARG A 41 -2.965 0.762 -12.084 1.00 0.00 C ATOM 650 CD ARG A 41 -4.087 -0.258 -12.005 1.00 0.00 C ATOM 651 NE ARG A 41 -4.535 -0.650 -13.355 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.738 -0.488 -13.891 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.702 0.233 -13.360 1.00 0.00 N ATOM 654 NH2 ARG A 41 -5.976 -1.049 -15.045 1.00 0.00 N ATOM 0 H ARG A 41 -1.690 2.868 -8.604 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.179 2.458 -11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.823 0.293 -10.308 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.376 1.035 -9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.307 1.673 -12.576 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.134 0.375 -12.673 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.746 -1.138 -11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.925 0.159 -11.446 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.836 -1.099 -13.947 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.549 0.716 -12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.602 0.309 -13.834 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.247 -1.593 -15.508 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.891 -0.944 -15.484 1.00 0.00 H new ATOM 668 N GLY A 42 -2.670 4.296 -11.824 1.00 0.00 N ATOM 669 CA GLY A 42 -3.479 5.475 -12.023 1.00 0.00 C ATOM 670 C GLY A 42 -3.270 6.495 -10.919 1.00 0.00 C ATOM 671 O GLY A 42 -2.144 6.833 -10.559 1.00 0.00 O ATOM 0 H GLY A 42 -1.955 4.138 -12.534 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.234 5.925 -12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.531 5.192 -12.062 1.00 0.00 H new ATOM 675 N ASN A 43 -4.385 6.952 -10.356 1.00 0.00 N ATOM 676 CA ASN A 43 -4.379 7.850 -9.206 1.00 0.00 C ATOM 677 C ASN A 43 -4.216 7.115 -7.844 1.00 0.00 C ATOM 678 O ASN A 43 -4.188 7.775 -6.804 1.00 0.00 O ATOM 679 CB ASN A 43 -5.617 8.755 -9.288 1.00 0.00 C ATOM 680 CG ASN A 43 -6.847 8.125 -8.669 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.052 8.218 -7.478 1.00 0.00 O ATOM 682 ND2 ASN A 43 -7.694 7.458 -9.425 1.00 0.00 N ATOM 0 H ASN A 43 -5.319 6.709 -10.685 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.489 8.478 -9.248 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.406 9.699 -8.785 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.821 8.990 -10.333 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.517 7.023 -9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.527 7.376 -10.428 1.00 0.00 H new ATOM 689 N THR A 44 -4.096 5.774 -7.855 1.00 0.00 N ATOM 690 CA THR A 44 -3.931 4.977 -6.614 1.00 0.00 C ATOM 691 C THR A 44 -2.476 4.595 -6.389 1.00 0.00 C ATOM 692 O THR A 44 -1.709 4.416 -7.332 1.00 0.00 O ATOM 693 CB THR A 44 -4.973 3.849 -6.486 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.840 3.156 -5.264 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.088 2.810 -7.590 1.00 0.00 C ATOM 0 H THR A 44 -4.110 5.215 -8.708 1.00 0.00 H new ATOM 0 HA THR A 44 -4.170 5.608 -5.758 1.00 0.00 H new ATOM 0 HB THR A 44 -5.890 4.433 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.516 2.449 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.869 2.094 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.340 3.303 -8.529 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.138 2.287 -7.698 1.00 0.00 H new ATOM 703 N TYR A 45 -2.093 4.531 -5.117 1.00 0.00 N ATOM 704 CA TYR A 45 -0.802 4.373 -4.518 1.00 0.00 C ATOM 705 C TYR A 45 -1.151 3.525 -3.323 1.00 0.00 C ATOM 706 O TYR A 45 -1.854 3.921 -2.382 1.00 0.00 O ATOM 707 CB TYR A 45 -0.189 5.674 -4.017 1.00 0.00 C ATOM 708 CG TYR A 45 0.366 6.535 -5.110 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.516 7.275 -5.900 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.750 6.603 -5.335 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.005 8.170 -6.857 1.00 0.00 C ATOM 712 CE2 TYR A 45 2.279 7.502 -6.268 1.00 0.00 C ATOM 713 CZ TYR A 45 1.400 8.327 -7.005 1.00 0.00 C ATOM 714 OH TYR A 45 1.922 9.203 -7.906 1.00 0.00 O ATOM 0 H TYR A 45 -2.802 4.601 -4.387 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.072 3.972 -5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.947 6.237 -3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.607 5.442 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.583 7.161 -5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.414 5.955 -4.782 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.680 8.738 -7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.346 7.564 -6.423 1.00 0.00 H new ATOM 0 HH TYR A 45 2.901 9.172 -7.863 1.00 0.00 H new ATOM 724 N LEU A 46 -0.721 2.294 -3.419 1.00 0.00 N ATOM 725 CA LEU A 46 -0.818 1.383 -2.328 1.00 0.00 C ATOM 726 C LEU A 46 0.310 1.760 -1.373 1.00 0.00 C ATOM 727 O LEU A 46 1.470 1.818 -1.792 1.00 0.00 O ATOM 728 CB LEU A 46 -0.660 0.008 -2.939 1.00 0.00 C ATOM 729 CG LEU A 46 -1.719 -1.046 -2.586 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.148 -1.306 -1.148 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.032 -0.669 -3.237 1.00 0.00 C ATOM 0 H LEU A 46 -0.295 1.903 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.754 1.406 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.645 0.121 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.315 -0.382 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.184 -1.936 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.905 -2.090 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.285 -1.622 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.561 -0.392 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.788 -1.414 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.352 0.307 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.903 -0.628 -4.319 1.00 0.00 H new ATOM 743 N CYS A 47 -0.039 2.067 -0.130 1.00 0.00 N ATOM 744 CA CYS A 47 0.877 2.537 0.896 1.00 0.00 C ATOM 745 C CYS A 47 0.783 1.661 2.135 1.00 0.00 C ATOM 746 O CYS A 47 -0.183 0.918 2.305 1.00 0.00 O ATOM 747 CB CYS A 47 0.594 4.008 1.268 1.00 0.00 C ATOM 748 SG CYS A 47 0.212 5.040 -0.172 1.00 0.00 S ATOM 0 H CYS A 47 -1.001 1.992 0.201 1.00 0.00 H new ATOM 0 HA CYS A 47 1.887 2.475 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.241 4.046 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.461 4.420 1.784 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.648 4.426 -0.930 1.00 0.00 H new ATOM 754 N PHE A 48 1.760 1.789 3.021 1.00 0.00 N ATOM 755 CA PHE A 48 1.799 1.071 4.278 1.00 0.00 C ATOM 756 C PHE A 48 2.188 1.978 5.440 1.00 0.00 C ATOM 757 O PHE A 48 2.845 3.002 5.246 1.00 0.00 O ATOM 758 CB PHE A 48 2.685 -0.171 4.127 1.00 0.00 C ATOM 759 CG PHE A 48 4.179 0.023 4.097 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.937 -0.350 5.211 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.822 0.405 2.909 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.333 -0.400 5.127 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.227 0.395 2.833 1.00 0.00 C ATOM 764 CZ PHE A 48 6.987 -0.037 3.937 1.00 0.00 C ATOM 0 H PHE A 48 2.560 2.406 2.880 1.00 0.00 H new ATOM 0 HA PHE A 48 0.798 0.723 4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.453 -0.848 4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.396 -0.677 3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.444 -0.600 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.238 0.707 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.911 -0.719 5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.722 0.718 1.929 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.064 -0.089 3.870 1.00 0.00 H new ATOM 774 N ASP A 49 1.773 1.569 6.636 1.00 0.00 N ATOM 775 CA ASP A 49 2.386 1.996 7.898 1.00 0.00 C ATOM 776 C ASP A 49 3.003 0.754 8.548 1.00 0.00 C ATOM 777 O ASP A 49 2.991 -0.348 7.999 1.00 0.00 O ATOM 778 CB ASP A 49 1.359 2.490 8.928 1.00 0.00 C ATOM 779 CG ASP A 49 0.552 3.744 8.671 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.484 3.872 9.361 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.010 4.678 7.988 1.00 0.00 O1- ATOM 0 H ASP A 49 0.993 0.924 6.761 1.00 0.00 H new ATOM 0 HA ASP A 49 3.087 2.796 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.649 1.679 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.892 2.638 9.867 1.00 0.00 H new ATOM 786 N ASP A 50 3.391 0.901 9.815 1.00 0.00 N ATOM 787 CA ASP A 50 3.928 -0.176 10.631 1.00 0.00 C ATOM 788 C ASP A 50 2.910 -1.254 11.044 1.00 0.00 C ATOM 789 O ASP A 50 3.267 -2.232 11.704 1.00 0.00 O ATOM 790 CB ASP A 50 4.568 0.423 11.893 1.00 0.00 C ATOM 791 CG ASP A 50 5.778 1.301 11.566 1.00 0.00 C ATOM 792 OD1 ASP A 50 5.773 2.506 11.896 1.00 0.00 O ATOM 793 OD2 ASP A 50 6.765 0.723 11.062 1.00 0.00 O1- ATOM 0 H ASP A 50 3.338 1.792 10.308 1.00 0.00 H new ATOM 0 HA ASP A 50 4.658 -0.687 10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.826 1.015 12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.875 -0.383 12.560 1.00 0.00 H new ATOM 798 N THR A 51 1.646 -1.014 10.714 1.00 0.00 N ATOM 799 CA THR A 51 0.467 -1.636 11.331 1.00 0.00 C ATOM 800 C THR A 51 -0.333 -2.454 10.335 1.00 0.00 C ATOM 801 O THR A 51 -0.948 -3.453 10.699 1.00 0.00 O ATOM 802 CB THR A 51 -0.456 -0.530 11.896 1.00 0.00 C ATOM 803 OG1 THR A 51 0.104 0.766 11.822 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.732 -0.781 13.369 1.00 0.00 C ATOM 0 H THR A 51 1.398 -0.353 9.978 1.00 0.00 H new ATOM 0 HA THR A 51 0.823 -2.300 12.119 1.00 0.00 H new ATOM 0 HB THR A 51 -1.356 -0.571 11.283 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.528 1.417 12.192 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.382 0.003 13.756 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.220 -1.749 13.488 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.208 -0.778 13.921 1.00 0.00 H new ATOM 812 N ASN A 52 -0.369 -1.998 9.083 1.00 0.00 N ATOM 813 CA ASN A 52 -1.300 -2.310 8.024 1.00 0.00 C ATOM 814 C ASN A 52 -1.101 -1.366 6.829 1.00 0.00 C ATOM 815 O ASN A 52 -0.322 -0.421 6.873 1.00 0.00 O ATOM 816 CB ASN A 52 -2.772 -2.384 8.461 1.00 0.00 C ATOM 817 CG ASN A 52 -3.354 -1.249 9.292 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.674 -1.401 10.469 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.592 -0.108 8.674 1.00 0.00 N ATOM 0 H ASN A 52 0.333 -1.331 8.763 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.062 -3.327 7.713 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.378 -2.476 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.901 -3.306 9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.045 0.657 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.323 0.009 7.697 1.00 0.00 H new ATOM 826 N LEU A 53 -1.825 -1.641 5.752 1.00 0.00 N ATOM 827 CA LEU A 53 -1.745 -0.886 4.513 1.00 0.00 C ATOM 828 C LEU A 53 -2.912 0.050 4.319 1.00 0.00 C ATOM 829 O LEU A 53 -3.889 -0.001 5.065 1.00 0.00 O ATOM 830 CB LEU A 53 -1.593 -1.879 3.364 1.00 0.00 C ATOM 831 CG LEU A 53 -0.106 -2.200 3.248 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.425 -3.148 4.310 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.157 -2.918 1.971 1.00 0.00 C ATOM 0 H LEU A 53 -2.495 -2.409 5.717 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.875 -0.230 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.169 -2.784 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.970 -1.454 2.434 1.00 0.00 H new ATOM 0 HG LEU A 53 0.380 -1.229 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.489 -3.317 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.274 -2.710 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.107 -4.097 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.220 -3.145 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.414 -3.846 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.142 -2.290 1.132 1.00 0.00 H new ATOM 845 N TYR A 54 -2.818 0.882 3.278 1.00 0.00 N ATOM 846 CA TYR A 54 -3.834 1.847 2.916 1.00 0.00 C ATOM 847 C TYR A 54 -3.704 2.073 1.415 1.00 0.00 C ATOM 848 O TYR A 54 -2.591 2.270 0.934 1.00 0.00 O ATOM 849 CB TYR A 54 -3.710 3.197 3.653 1.00 0.00 C ATOM 850 CG TYR A 54 -3.474 3.148 5.153 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.491 3.583 6.016 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.267 2.661 5.692 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.335 3.500 7.408 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.129 2.507 7.081 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.150 2.963 7.945 1.00 0.00 C ATOM 856 OH TYR A 54 -2.981 2.930 9.291 1.00 0.00 O ATOM 0 H TYR A 54 -2.010 0.896 2.655 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.806 1.448 3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.891 3.756 3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.622 3.766 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.404 3.986 5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.447 2.406 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.120 3.846 8.064 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.244 2.041 7.488 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.025 2.971 9.502 1.00 0.00 H new ATOM 866 N ALA A 55 -4.790 2.072 0.657 1.00 0.00 N ATOM 867 CA ALA A 55 -4.738 2.583 -0.713 1.00 0.00 C ATOM 868 C ALA A 55 -5.176 4.032 -0.656 1.00 0.00 C ATOM 869 O ALA A 55 -6.364 4.283 -0.480 1.00 0.00 O ATOM 870 CB ALA A 55 -5.616 1.712 -1.623 1.00 0.00 C ATOM 0 H ALA A 55 -5.704 1.731 0.955 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.736 2.538 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.575 2.095 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.251 0.685 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.646 1.737 -1.267 1.00 0.00 H new ATOM 876 N ILE A 56 -4.255 4.981 -0.835 1.00 0.00 N ATOM 877 CA ILE A 56 -4.680 6.368 -1.014 1.00 0.00 C ATOM 878 C ILE A 56 -5.043 6.513 -2.497 1.00 0.00 C ATOM 879 O ILE A 56 -4.188 6.412 -3.375 1.00 0.00 O ATOM 880 CB ILE A 56 -3.659 7.396 -0.491 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.643 7.499 1.052 1.00 0.00 C ATOM 882 CG2 ILE A 56 -4.069 8.798 -0.999 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.803 6.464 1.789 1.00 0.00 C ATOM 0 H ILE A 56 -3.247 4.824 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.552 6.595 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.680 7.070 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.281 8.490 1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.670 7.424 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.356 9.539 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.076 8.802 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.065 9.042 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.871 6.638 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.173 5.465 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.763 6.547 1.473 1.00 0.00 H new ATOM 895 N THR A 57 -6.346 6.671 -2.752 1.00 0.00 N ATOM 896 CA THR A 57 -6.910 6.891 -4.086 1.00 0.00 C ATOM 897 C THR A 57 -7.185 8.380 -4.162 1.00 0.00 C ATOM 898 O THR A 57 -8.164 8.848 -3.568 1.00 0.00 O ATOM 899 CB THR A 57 -8.178 6.052 -4.313 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.946 4.718 -3.924 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.571 6.033 -5.787 1.00 0.00 C ATOM 0 H THR A 57 -7.054 6.649 -2.018 1.00 0.00 H new ATOM 0 HA THR A 57 -6.225 6.575 -4.873 1.00 0.00 H new ATOM 0 HB THR A 57 -8.975 6.503 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.758 4.189 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.471 5.432 -5.916 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.763 7.051 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.760 5.602 -6.374 1.00 0.00 H new ATOM 909 N GLY A 58 -6.246 9.124 -4.758 1.00 0.00 N ATOM 910 CA GLY A 58 -6.198 10.590 -4.775 1.00 0.00 C ATOM 911 C GLY A 58 -5.916 11.204 -3.387 1.00 0.00 C ATOM 912 O GLY A 58 -4.874 11.807 -3.158 1.00 0.00 O ATOM 0 H GLY A 58 -5.466 8.703 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.426 10.914 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.147 10.974 -5.149 1.00 0.00 H new ATOM 916 N ASP A 59 -6.865 11.005 -2.484 1.00 0.00 N ATOM 917 CA ASP A 59 -6.965 11.520 -1.107 1.00 0.00 C ATOM 918 C ASP A 59 -7.758 10.569 -0.181 1.00 0.00 C ATOM 919 O ASP A 59 -7.745 10.692 1.043 1.00 0.00 O ATOM 920 CB ASP A 59 -7.638 12.902 -1.190 1.00 0.00 C ATOM 921 CG ASP A 59 -8.944 12.862 -1.996 1.00 0.00 C ATOM 922 OD1 ASP A 59 -9.977 12.490 -1.391 1.00 0.00 O ATOM 923 OD2 ASP A 59 -8.876 13.158 -3.216 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.670 10.421 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.970 11.595 -0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.845 13.265 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.951 13.612 -1.650 1.00 0.00 H new ATOM 928 N VAL A 60 -8.406 9.553 -0.761 1.00 0.00 N ATOM 929 CA VAL A 60 -9.239 8.562 -0.097 1.00 0.00 C ATOM 930 C VAL A 60 -8.317 7.555 0.547 1.00 0.00 C ATOM 931 O VAL A 60 -7.828 6.658 -0.126 1.00 0.00 O ATOM 932 CB VAL A 60 -10.194 7.841 -1.080 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.988 6.702 -0.399 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.181 8.831 -1.722 1.00 0.00 C ATOM 0 H VAL A 60 -8.355 9.397 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.867 9.063 0.640 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.562 7.403 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.643 6.228 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.294 5.962 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.588 7.112 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.839 8.296 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.777 9.307 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.627 9.593 -2.271 1.00 0.00 H new ATOM 944 N VAL A 61 -8.073 7.725 1.835 1.00 0.00 N ATOM 945 CA VAL A 61 -7.289 6.792 2.637 1.00 0.00 C ATOM 946 C VAL A 61 -8.090 5.537 2.953 1.00 0.00 C ATOM 947 O VAL A 61 -8.898 5.487 3.884 1.00 0.00 O ATOM 948 CB VAL A 61 -6.714 7.531 3.849 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.757 8.061 4.851 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.684 6.680 4.598 1.00 0.00 C ATOM 0 H VAL A 61 -8.418 8.526 2.364 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.431 6.421 2.077 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.235 8.406 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.249 8.568 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.422 8.763 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.340 7.228 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.300 7.240 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.156 5.763 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.861 6.431 3.928 1.00 0.00 H new ATOM 960 N LEU A 62 -7.874 4.507 2.131 1.00 0.00 N ATOM 961 CA LEU A 62 -8.518 3.220 2.308 1.00 0.00 C ATOM 962 C LEU A 62 -7.604 2.294 3.094 1.00 0.00 C ATOM 963 O LEU A 62 -6.913 1.447 2.551 1.00 0.00 O ATOM 964 CB LEU A 62 -9.020 2.681 0.965 1.00 0.00 C ATOM 965 CG LEU A 62 -9.572 1.231 0.957 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.152 0.691 2.280 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.700 1.189 -0.073 1.00 0.00 C ATOM 0 H LEU A 62 -7.247 4.550 1.328 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.420 3.312 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.805 3.346 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.200 2.737 0.249 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.711 0.599 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.501 -0.331 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.379 0.704 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.986 1.318 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.119 0.184 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.479 1.896 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.307 1.457 -1.054 1.00 0.00 H new ATOM 979 N LYS A 63 -7.722 2.453 4.408 1.00 0.00 N ATOM 980 CA LYS A 63 -7.136 1.624 5.470 1.00 0.00 C ATOM 981 C LYS A 63 -7.556 0.152 5.332 1.00 0.00 C ATOM 982 O LYS A 63 -8.746 -0.172 5.327 1.00 0.00 O ATOM 983 CB LYS A 63 -7.521 2.214 6.857 1.00 0.00 C ATOM 984 CG LYS A 63 -9.033 2.241 7.179 1.00 0.00 C ATOM 985 CD LYS A 63 -9.384 2.904 8.520 1.00 0.00 C ATOM 986 CE LYS A 63 -9.011 2.048 9.748 1.00 0.00 C ATOM 987 NZ LYS A 63 -10.195 1.722 10.589 1.00 0.00 N ATOM 0 H LYS A 63 -8.270 3.222 4.794 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.050 1.641 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.014 1.636 7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.137 3.233 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.553 2.769 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.410 1.218 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.871 3.863 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.454 3.112 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.539 1.124 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.276 2.582 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.896 1.146 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.631 2.602 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.887 1.190 10.023 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.595 -0.756 5.250 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.812 -2.195 5.234 1.00 0.00 C ATOM 1003 C PHE A 64 -6.726 -2.789 6.649 1.00 0.00 C ATOM 1004 O PHE A 64 -5.739 -2.583 7.346 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.799 -2.839 4.318 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.006 -2.455 2.858 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -4.986 -1.760 2.179 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.197 -2.800 2.180 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.136 -1.424 0.829 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.357 -2.472 0.823 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.320 -1.776 0.159 1.00 0.00 C ATOM 0 H PHE A 64 -5.609 -0.502 5.191 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.816 -2.397 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.796 -2.547 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.861 -3.923 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.083 -1.485 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.986 -3.317 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.349 -0.899 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.258 -2.747 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.440 -1.511 -0.881 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.687 -3.625 7.035 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.645 -4.393 8.286 1.00 0.00 C ATOM 1023 C ALA A 65 -6.547 -5.467 8.342 1.00 0.00 C ATOM 1024 O ALA A 65 -6.590 -6.342 9.211 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.989 -5.088 8.476 1.00 0.00 C ATOM 0 H ALA A 65 -8.529 -3.793 6.484 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.422 -3.673 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.974 -5.663 9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.781 -4.341 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.174 -5.758 7.636 1.00 0.00 H new ATOM 1031 N THR A 66 -5.632 -5.535 7.372 1.00 0.00 N ATOM 1032 CA THR A 66 -4.637 -6.578 7.236 1.00 0.00 C ATOM 1033 C THR A 66 -3.631 -6.017 6.288 1.00 0.00 C ATOM 1034 O THR A 66 -3.830 -5.012 5.608 1.00 0.00 O ATOM 1035 CB THR A 66 -5.182 -7.863 6.607 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.577 -7.946 6.796 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.708 -9.174 7.202 1.00 0.00 C ATOM 0 H THR A 66 -5.570 -4.832 6.635 1.00 0.00 H new ATOM 0 HA THR A 66 -4.255 -6.844 8.222 1.00 0.00 H new ATOM 0 HB THR A 66 -4.831 -7.770 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.914 -8.771 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.168 -10.004 6.666 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.624 -9.242 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.991 -9.220 8.254 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.618 -6.819 6.127 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.691 -6.626 5.069 1.00 0.00 C ATOM 1047 C VAL A 67 -2.158 -7.291 3.766 1.00 0.00 C ATOM 1048 O VAL A 67 -2.155 -6.677 2.710 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.377 -7.237 5.509 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.636 -6.308 4.928 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.030 -7.307 6.964 1.00 0.00 C ATOM 0 H VAL A 67 -2.419 -7.620 6.727 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.593 -5.560 4.864 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.463 -8.281 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.637 -6.654 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.528 -6.284 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.484 -5.306 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.007 -7.783 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.082 -6.299 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.705 -7.889 7.520 1.00 0.00 H new ATOM 1061 N SER A 68 -2.614 -8.541 3.847 1.00 0.00 N ATOM 1062 CA SER A 68 -3.054 -9.344 2.692 1.00 0.00 C ATOM 1063 C SER A 68 -4.273 -8.753 1.985 1.00 0.00 C ATOM 1064 O SER A 68 -4.541 -9.096 0.833 1.00 0.00 O ATOM 1065 CB SER A 68 -3.342 -10.783 3.127 1.00 0.00 C ATOM 1066 OG SER A 68 -2.147 -11.350 3.651 1.00 0.00 O ATOM 0 H SER A 68 -2.692 -9.040 4.733 1.00 0.00 H new ATOM 0 HA SER A 68 -2.236 -9.334 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.130 -10.799 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.699 -11.369 2.280 1.00 0.00 H new ATOM 0 HG SER A 68 -2.319 -12.272 3.935 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.002 -7.824 2.629 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.075 -7.098 1.961 1.00 0.00 C ATOM 1074 C LYS A 69 -5.547 -6.325 0.756 1.00 0.00 C ATOM 1075 O LYS A 69 -6.074 -6.456 -0.340 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.670 -6.075 2.914 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.077 -6.602 4.281 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.533 -6.335 4.608 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.288 -7.481 3.918 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.768 -7.375 3.972 1.00 0.00 N ATOM 0 H LYS A 69 -4.862 -7.566 3.606 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.817 -7.831 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.945 -5.274 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.546 -5.632 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.892 -7.675 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.449 -6.142 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.706 -6.334 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.854 -5.363 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.979 -7.524 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.989 -8.423 4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.192 -8.189 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.079 -7.367 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.070 -6.495 3.507 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.460 -5.576 0.962 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.749 -4.859 -0.092 1.00 0.00 C ATOM 1096 C ALA A 70 -3.290 -5.734 -1.282 1.00 0.00 C ATOM 1097 O ALA A 70 -3.216 -5.244 -2.405 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.576 -4.191 0.607 1.00 0.00 C ATOM 0 H ALA A 70 -4.044 -5.451 1.885 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.421 -4.145 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.990 -3.630 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.948 -3.512 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.947 -4.952 1.070 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.070 -7.035 -1.068 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.673 -7.993 -2.119 1.00 0.00 C ATOM 1106 C ARG A 71 -3.819 -8.309 -3.068 1.00 0.00 C ATOM 1107 O ARG A 71 -3.620 -8.411 -4.276 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.184 -9.288 -1.435 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.231 -10.160 -2.268 1.00 0.00 C ATOM 1110 CD ARG A 71 0.084 -10.559 -1.557 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.122 -11.291 -0.295 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.850 -11.688 0.545 1.00 0.00 C ATOM 1113 NH1 ARG A 71 2.131 -11.565 0.256 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.568 -12.214 1.726 1.00 0.00 N ATOM 0 H ARG A 71 -3.163 -7.464 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.879 -7.545 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.683 -9.019 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.054 -9.887 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.757 -11.068 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.982 -9.626 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.678 -11.176 -2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.664 -9.659 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.083 -11.516 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.416 -11.156 -0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.837 -11.879 0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.404 -12.325 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.322 -12.508 2.347 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.009 -8.440 -2.479 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.268 -8.582 -3.178 1.00 0.00 C ATOM 1130 C ALA A 72 -6.771 -7.237 -3.759 1.00 0.00 C ATOM 1131 O ALA A 72 -7.342 -7.248 -4.836 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.214 -9.236 -2.171 1.00 0.00 C ATOM 0 H ALA A 72 -5.116 -8.449 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.183 -9.207 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.193 -9.377 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.812 -10.203 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.313 -8.595 -1.295 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.393 -6.082 -3.181 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.703 -4.746 -3.740 1.00 0.00 C ATOM 1140 C TYR A 73 -6.030 -4.552 -5.118 1.00 0.00 C ATOM 1141 O TYR A 73 -6.621 -4.087 -6.075 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.308 -3.611 -2.805 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.777 -2.260 -3.324 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -7.977 -1.693 -2.840 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -6.065 -1.601 -4.353 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -8.434 -0.458 -3.338 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -6.550 -0.389 -4.885 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.722 0.196 -4.364 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.135 1.401 -4.853 1.00 0.00 O ATOM 0 H TYR A 73 -5.862 -6.045 -2.311 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.786 -4.709 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.734 -3.789 -1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.225 -3.598 -2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.548 -2.210 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.148 -2.027 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.330 -0.011 -2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.022 0.093 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.519 1.698 -5.555 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.740 -4.988 -5.157 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.918 -4.976 -6.291 1.00 0.00 C ATOM 1161 C LEU A 74 -4.526 -5.652 -7.471 1.00 0.00 C ATOM 1162 O LEU A 74 -4.312 -5.197 -8.574 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.565 -5.623 -5.889 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.405 -4.580 -5.950 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.687 -3.239 -5.266 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.135 -5.197 -5.374 1.00 0.00 C ATOM 0 H LEU A 74 -4.270 -5.366 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.773 -3.945 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.639 -6.032 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.344 -6.457 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.290 -4.339 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.818 -2.589 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.550 -2.766 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.894 -3.406 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.675 -4.469 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.309 -5.486 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.138 -6.078 -5.956 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.226 -6.747 -7.260 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.787 -7.493 -8.406 1.00 0.00 C ATOM 1180 C GLU A 75 -7.276 -7.129 -8.582 1.00 0.00 C ATOM 1181 O GLU A 75 -7.776 -7.354 -9.700 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.605 -9.025 -8.263 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.844 -9.743 -6.923 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.893 -11.287 -7.047 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -5.760 -11.796 -8.185 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.121 -11.991 -6.032 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.425 -7.144 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.233 -7.199 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.265 -9.492 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.583 -9.252 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.052 -9.468 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.782 -9.391 -6.494 1.00 0.00 H new ATOM 1193 N THR A 76 -7.951 -6.525 -7.592 1.00 0.00 N ATOM 1194 CA THR A 76 -9.400 -6.292 -7.555 1.00 0.00 C ATOM 1195 C THR A 76 -9.725 -4.906 -7.026 1.00 0.00 C ATOM 1196 O THR A 76 -9.535 -4.579 -5.860 1.00 0.00 O ATOM 1197 CB THR A 76 -10.138 -7.377 -6.782 1.00 0.00 C ATOM 1198 OG1 THR A 76 -10.178 -8.514 -7.594 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.585 -6.986 -6.510 1.00 0.00 C ATOM 0 H THR A 76 -7.480 -6.171 -6.760 1.00 0.00 H new ATOM 0 HA THR A 76 -9.757 -6.343 -8.584 1.00 0.00 H new ATOM 0 HB THR A 76 -9.624 -7.539 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.647 -9.235 -7.124 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.080 -7.784 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.610 -6.068 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.102 -6.825 -7.456 1.00 0.00 H new ATOM 1207 N LYS A 77 -10.311 -4.175 -7.975 1.00 0.00 N ATOM 1208 CA LYS A 77 -10.825 -2.801 -8.017 1.00 0.00 C ATOM 1209 C LYS A 77 -11.995 -2.474 -7.064 1.00 0.00 C ATOM 1210 O LYS A 77 -11.872 -1.475 -6.322 1.00 0.00 O ATOM 1211 CB LYS A 77 -11.287 -2.463 -9.459 1.00 0.00 C ATOM 1212 CG LYS A 77 -10.351 -2.750 -10.650 1.00 0.00 C ATOM 1213 CD LYS A 77 -10.160 -4.226 -11.046 1.00 0.00 C ATOM 1214 CE LYS A 77 -11.441 -5.042 -11.296 1.00 0.00 C ATOM 1215 NZ LYS A 77 -11.941 -4.931 -12.687 1.00 0.00 N ATOM 1216 OXT LYS A 77 -13.072 -3.118 -7.172 1.00 0.00 O1- ATOM 0 H LYS A 77 -10.460 -4.609 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.983 -2.197 -7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.216 -3.004 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.527 -1.400 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.732 -2.212 -11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.371 -2.331 -10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.552 -4.261 -11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.590 -4.719 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.247 -6.090 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.218 -4.706 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.804 -5.502 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.156 -3.936 -12.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.215 -5.277 -13.346 1.00 0.00 H new TER 1230 LYS A 77