USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=27 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 76 THR OG1 : rot 180:sc= 0.863 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 173:sc= 0.995 (180deg=0) USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 73 TYR OH : rot 59:sc= 1.27 USER MOD Set 3.1: A 51 THR OG1 : rot -112:sc= 0.468 USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.145 F(o=0.24,f=0.76) USER MOD Set 3.3: A 54 TYR OH : rot 160:sc= 0.436 USER MOD Set 4.1: A 1 SER N :NH3+ -177:sc= 0.31 (180deg=0) USER MOD Set 4.2: A 1 SER OG : rot -50:sc= 0.332 USER MOD Set 4.3: A 4 THR OG1 : rot -160:sc= 0.467 USER MOD Single : A 2 HIS :FLIP no HD1:sc= 0.11 F(o=-0.98,f=0.11) USER MOD Single : A 3 MET CE :methyl 161:sc= 0 (180deg=-0.178) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.635 F(o=-2.1!,f=-0.63) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.0484 X(o=0.048,f=-0.0094) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.0972 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= 1.26 (180deg=0.57) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0451 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 140:sc= 0.175 USER MOD Single : A 39 CYS SG : rot 96:sc= 0.642 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.174 F(o=-1.9,f=-0.17) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.335 USER MOD Single : A 47 CYS SG : rot 53:sc= -0.588 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.515 -8.387 14.877 1.00 0.00 N ATOM 2 CA SER A 1 5.723 -7.148 15.667 1.00 0.00 C ATOM 3 C SER A 1 5.018 -5.970 15.009 1.00 0.00 C ATOM 4 O SER A 1 3.959 -5.561 15.470 1.00 0.00 O ATOM 5 CB SER A 1 7.217 -6.856 15.913 1.00 0.00 C ATOM 6 OG SER A 1 7.945 -6.776 14.691 1.00 0.00 O ATOM 0 H1 SER A 1 5.960 -9.190 15.367 1.00 0.00 H new ATOM 0 H2 SER A 1 4.496 -8.566 14.774 1.00 0.00 H new ATOM 0 H3 SER A 1 5.944 -8.275 13.936 1.00 0.00 H new ATOM 0 HA SER A 1 5.277 -7.305 16.649 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.320 -5.919 16.460 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.643 -7.639 16.540 1.00 0.00 H new ATOM 0 HG SER A 1 7.743 -7.560 14.138 1.00 0.00 H new ATOM 13 N HIS A 2 5.576 -5.486 13.907 1.00 0.00 N ATOM 14 CA HIS A 2 5.058 -4.435 13.037 1.00 0.00 C ATOM 15 C HIS A 2 5.610 -4.745 11.635 1.00 0.00 C ATOM 16 O HIS A 2 4.928 -5.359 10.814 1.00 0.00 O ATOM 17 CB HIS A 2 5.436 -3.045 13.605 1.00 0.00 C ATOM 18 CG HIS A 2 6.642 -2.972 14.525 1.00 0.00 C ATOM 19 ND1 HIS A 2 7.962 -2.881 14.166 1.00 0.00 N flip ATOM 20 CD2 HIS A 2 6.609 -2.956 15.907 1.00 0.00 C flip ATOM 21 CE1 HIS A 2 8.738 -2.862 15.329 1.00 0.00 C flip ATOM 22 NE2 HIS A 2 7.873 -2.890 16.354 1.00 0.00 N flip ATOM 0 H HIS A 2 6.470 -5.844 13.572 1.00 0.00 H new ATOM 0 HA HIS A 2 3.970 -4.408 12.978 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.612 -2.374 12.764 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.574 -2.657 14.148 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.721 -2.991 16.520 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.816 -2.831 15.390 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.139 -2.865 17.338 1.00 0.00 H new ATOM 30 N MET A 3 6.915 -4.515 11.443 1.00 0.00 N ATOM 31 CA MET A 3 7.777 -4.902 10.303 1.00 0.00 C ATOM 32 C MET A 3 7.927 -6.426 10.068 1.00 0.00 C ATOM 33 O MET A 3 9.008 -6.898 9.703 1.00 0.00 O ATOM 34 CB MET A 3 9.136 -4.180 10.429 1.00 0.00 C ATOM 35 CG MET A 3 8.990 -2.652 10.300 1.00 0.00 C ATOM 36 SD MET A 3 8.480 -2.076 8.655 1.00 0.00 S ATOM 37 CE MET A 3 8.194 -0.339 9.047 1.00 0.00 C ATOM 0 H MET A 3 7.451 -4.005 12.145 1.00 0.00 H new ATOM 0 HA MET A 3 7.266 -4.573 9.398 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.587 -4.421 11.391 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.814 -4.546 9.658 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.261 -2.307 11.033 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.942 -2.187 10.554 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.203 0.248 8.128 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.226 -0.231 9.537 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.980 0.018 9.713 1.00 0.00 H new ATOM 47 N THR A 4 6.877 -7.224 10.319 1.00 0.00 N ATOM 48 CA THR A 4 6.842 -8.666 10.089 1.00 0.00 C ATOM 49 C THR A 4 5.934 -9.055 8.920 1.00 0.00 C ATOM 50 O THR A 4 6.459 -9.411 7.874 1.00 0.00 O ATOM 51 CB THR A 4 6.464 -9.372 11.385 1.00 0.00 C ATOM 52 OG1 THR A 4 7.251 -8.870 12.448 1.00 0.00 O ATOM 53 CG2 THR A 4 6.683 -10.872 11.270 1.00 0.00 C ATOM 0 H THR A 4 6.002 -6.865 10.701 1.00 0.00 H new ATOM 0 HA THR A 4 7.838 -8.994 9.791 1.00 0.00 H new ATOM 0 HB THR A 4 5.408 -9.185 11.580 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.248 -9.512 13.189 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.406 -11.353 12.208 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.067 -11.269 10.463 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.733 -11.071 11.057 1.00 0.00 H new ATOM 61 N ALA A 5 4.610 -8.882 9.001 1.00 0.00 N ATOM 62 CA ALA A 5 3.729 -9.247 7.876 1.00 0.00 C ATOM 63 C ALA A 5 3.782 -8.211 6.739 1.00 0.00 C ATOM 64 O ALA A 5 3.779 -8.561 5.565 1.00 0.00 O ATOM 65 CB ALA A 5 2.296 -9.437 8.391 1.00 0.00 C ATOM 0 H ALA A 5 4.128 -8.500 9.815 1.00 0.00 H new ATOM 0 HA ALA A 5 4.085 -10.186 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.644 -9.707 7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.280 -10.231 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.945 -8.508 8.841 1.00 0.00 H new ATOM 71 N VAL A 6 3.866 -6.936 7.117 1.00 0.00 N ATOM 72 CA VAL A 6 3.955 -5.769 6.233 1.00 0.00 C ATOM 73 C VAL A 6 5.256 -5.734 5.450 1.00 0.00 C ATOM 74 O VAL A 6 5.288 -5.221 4.340 1.00 0.00 O ATOM 75 CB VAL A 6 3.713 -4.475 7.044 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.977 -3.919 7.714 1.00 0.00 C ATOM 77 CG2 VAL A 6 3.021 -3.422 6.175 1.00 0.00 C ATOM 0 H VAL A 6 3.874 -6.673 8.102 1.00 0.00 H new ATOM 0 HA VAL A 6 3.169 -5.848 5.481 1.00 0.00 H new ATOM 0 HB VAL A 6 3.050 -4.743 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.728 -3.012 8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.380 -4.662 8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.721 -3.689 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.858 -2.517 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.650 -3.189 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.062 -3.808 5.829 1.00 0.00 H new ATOM 87 N GLN A 7 6.307 -6.333 6.009 1.00 0.00 N ATOM 88 CA GLN A 7 7.637 -6.334 5.436 1.00 0.00 C ATOM 89 C GLN A 7 7.713 -7.166 4.150 1.00 0.00 C ATOM 90 O GLN A 7 8.188 -6.710 3.111 1.00 0.00 O ATOM 91 CB GLN A 7 8.608 -6.866 6.506 1.00 0.00 C ATOM 92 CG GLN A 7 10.081 -6.925 6.078 1.00 0.00 C ATOM 93 CD GLN A 7 10.641 -5.521 5.941 1.00 0.00 C ATOM 94 OE1 GLN A 7 10.145 -4.777 4.971 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.436 -5.046 6.745 1.00 0.00 N flip ATOM 0 H GLN A 7 6.248 -6.840 6.892 1.00 0.00 H new ATOM 0 HA GLN A 7 7.910 -5.319 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.528 -6.236 7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.290 -7.867 6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.659 -7.485 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.171 -7.455 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.815 -5.628 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.718 -4.069 6.667 1.00 0.00 H new ATOM 104 N ASP A 8 7.227 -8.385 4.312 1.00 0.00 N ATOM 105 CA ASP A 8 6.963 -9.456 3.329 1.00 0.00 C ATOM 106 C ASP A 8 5.984 -9.024 2.227 1.00 0.00 C ATOM 107 O ASP A 8 6.332 -9.118 1.049 1.00 0.00 O ATOM 108 CB ASP A 8 6.415 -10.714 4.047 1.00 0.00 C ATOM 109 CG ASP A 8 5.888 -11.784 3.071 1.00 0.00 C ATOM 110 OD1 ASP A 8 4.678 -11.726 2.759 1.00 0.00 O ATOM 111 OD2 ASP A 8 6.665 -12.684 2.657 1.00 0.00 O1- ATOM 0 H ASP A 8 6.972 -8.699 5.248 1.00 0.00 H new ATOM 0 HA ASP A 8 7.914 -9.683 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.204 -11.148 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.612 -10.419 4.722 1.00 0.00 H new ATOM 116 N PHE A 9 4.809 -8.479 2.595 1.00 0.00 N ATOM 117 CA PHE A 9 3.925 -7.874 1.612 1.00 0.00 C ATOM 118 C PHE A 9 4.688 -6.779 0.859 1.00 0.00 C ATOM 119 O PHE A 9 4.657 -6.721 -0.363 1.00 0.00 O ATOM 120 CB PHE A 9 2.693 -7.286 2.308 1.00 0.00 C ATOM 121 CG PHE A 9 1.801 -6.582 1.307 1.00 0.00 C ATOM 122 CD1 PHE A 9 1.973 -5.206 1.061 1.00 0.00 C ATOM 123 CD2 PHE A 9 0.869 -7.319 0.555 1.00 0.00 C ATOM 124 CE1 PHE A 9 1.205 -4.564 0.075 1.00 0.00 C ATOM 125 CE2 PHE A 9 0.109 -6.676 -0.440 1.00 0.00 C ATOM 126 CZ PHE A 9 0.274 -5.299 -0.678 1.00 0.00 C ATOM 0 H PHE A 9 4.464 -8.451 3.554 1.00 0.00 H new ATOM 0 HA PHE A 9 3.590 -8.631 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.136 -8.080 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.006 -6.584 3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.697 -4.643 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.737 -8.375 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.330 -3.506 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.603 -7.241 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.314 -4.808 -1.439 1.00 0.00 H new ATOM 136 N VAL A 10 5.389 -5.901 1.582 1.00 0.00 N ATOM 137 CA VAL A 10 6.164 -4.834 0.932 1.00 0.00 C ATOM 138 C VAL A 10 7.167 -5.352 -0.100 1.00 0.00 C ATOM 139 O VAL A 10 6.988 -4.991 -1.259 1.00 0.00 O ATOM 140 CB VAL A 10 6.749 -3.825 1.932 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.877 -2.934 1.391 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.581 -2.913 2.333 1.00 0.00 C ATOM 0 H VAL A 10 5.438 -5.904 2.601 1.00 0.00 H new ATOM 0 HA VAL A 10 5.448 -4.261 0.344 1.00 0.00 H new ATOM 0 HB VAL A 10 7.196 -4.394 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.217 -2.260 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.708 -3.558 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.507 -2.351 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.930 -2.167 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.190 -2.412 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.792 -3.511 2.789 1.00 0.00 H new ATOM 152 N VAL A 11 8.133 -6.208 0.265 1.00 0.00 N ATOM 153 CA VAL A 11 9.109 -6.824 -0.679 1.00 0.00 C ATOM 154 C VAL A 11 8.453 -7.627 -1.826 1.00 0.00 C ATOM 155 O VAL A 11 9.052 -7.761 -2.887 1.00 0.00 O ATOM 156 CB VAL A 11 10.150 -7.715 -0.006 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.107 -6.933 0.911 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.444 -8.812 0.725 1.00 0.00 C ATOM 0 H VAL A 11 8.270 -6.503 1.232 1.00 0.00 H new ATOM 0 HA VAL A 11 9.611 -5.952 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 11 10.788 -8.145 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.823 -7.621 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.641 -6.184 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.536 -6.440 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.177 -9.456 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.784 -8.381 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.856 -9.399 0.020 1.00 0.00 H new ATOM 168 N ASP A 12 7.233 -8.145 -1.639 1.00 0.00 N ATOM 169 CA ASP A 12 6.448 -8.828 -2.691 1.00 0.00 C ATOM 170 C ASP A 12 6.086 -7.870 -3.844 1.00 0.00 C ATOM 171 O ASP A 12 6.391 -8.159 -4.987 1.00 0.00 O ATOM 172 CB ASP A 12 5.185 -9.467 -2.091 1.00 0.00 C ATOM 173 CG ASP A 12 4.296 -10.310 -3.005 1.00 0.00 C ATOM 174 OD1 ASP A 12 3.075 -10.047 -3.013 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.748 -11.331 -3.561 1.00 0.00 O1- ATOM 0 H ASP A 12 6.750 -8.104 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 12 7.071 -9.618 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.495 -10.096 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.572 -8.667 -1.677 1.00 0.00 H new ATOM 180 N ILE A 13 5.541 -6.689 -3.556 1.00 0.00 N ATOM 181 CA ILE A 13 5.271 -5.586 -4.531 1.00 0.00 C ATOM 182 C ILE A 13 6.590 -4.990 -5.015 1.00 0.00 C ATOM 183 O ILE A 13 6.682 -4.540 -6.145 1.00 0.00 O ATOM 184 CB ILE A 13 4.244 -4.613 -3.941 1.00 0.00 C ATOM 185 CG1 ILE A 13 2.823 -5.232 -3.853 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.101 -3.413 -4.884 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.614 -6.242 -2.725 1.00 0.00 C ATOM 0 H ILE A 13 5.258 -6.446 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 13 4.797 -5.951 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 13 4.601 -4.349 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.101 -4.425 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.599 -5.721 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.372 -2.713 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.065 -2.914 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.764 -3.757 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.589 -6.612 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.305 -7.076 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.799 -5.759 -1.765 1.00 0.00 H new ATOM 199 N LEU A 14 7.661 -5.108 -4.223 1.00 0.00 N ATOM 200 CA LEU A 14 8.966 -4.507 -4.457 1.00 0.00 C ATOM 201 C LEU A 14 9.992 -5.269 -5.335 1.00 0.00 C ATOM 202 O LEU A 14 10.410 -4.798 -6.389 1.00 0.00 O ATOM 203 CB LEU A 14 9.535 -4.347 -3.040 1.00 0.00 C ATOM 204 CG LEU A 14 9.730 -2.939 -2.490 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.457 -3.088 -1.136 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.553 -2.104 -3.485 1.00 0.00 C ATOM 0 H LEU A 14 7.634 -5.653 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 14 8.812 -3.601 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.876 -4.882 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.501 -4.851 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 14 8.780 -2.423 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.620 -2.102 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.847 -3.687 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.417 -3.580 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.691 -1.098 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.526 -2.571 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.026 -2.050 -4.438 1.00 0.00 H new ATOM 218 N LEU A 15 10.410 -6.445 -4.880 1.00 0.00 N ATOM 219 CA LEU A 15 11.481 -7.285 -5.455 1.00 0.00 C ATOM 220 C LEU A 15 10.887 -8.286 -6.425 1.00 0.00 C ATOM 221 O LEU A 15 11.532 -8.660 -7.406 1.00 0.00 O ATOM 222 CB LEU A 15 12.196 -8.121 -4.369 1.00 0.00 C ATOM 223 CG LEU A 15 13.306 -7.470 -3.518 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.535 -7.097 -4.362 1.00 0.00 C ATOM 225 CD2 LEU A 15 12.840 -6.244 -2.727 1.00 0.00 C ATOM 0 H LEU A 15 9.993 -6.872 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 15 12.183 -6.606 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.432 -8.488 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.629 -8.992 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 15 13.583 -8.238 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.291 -6.642 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.944 -7.995 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.242 -6.389 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.675 -5.842 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.474 -5.484 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.039 -6.533 -2.047 1.00 0.00 H new ATOM 237 N ASN A 16 9.669 -8.750 -6.112 1.00 0.00 N ATOM 238 CA ASN A 16 8.929 -9.716 -6.922 1.00 0.00 C ATOM 239 C ASN A 16 7.899 -9.036 -7.857 1.00 0.00 C ATOM 240 O ASN A 16 7.526 -9.618 -8.882 1.00 0.00 O ATOM 241 CB ASN A 16 8.242 -10.743 -6.003 1.00 0.00 C ATOM 242 CG ASN A 16 9.214 -11.616 -5.218 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.520 -12.727 -5.628 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.710 -11.181 -4.066 1.00 0.00 N ATOM 0 H ASN A 16 9.166 -8.457 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 16 9.643 -10.227 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.596 -10.214 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.599 -11.384 -6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.343 -11.772 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.458 -10.255 -3.719 1.00 0.00 H new ATOM 251 N GLY A 17 7.489 -7.793 -7.532 1.00 0.00 N ATOM 252 CA GLY A 17 6.465 -7.016 -8.237 1.00 0.00 C ATOM 253 C GLY A 17 5.012 -7.410 -7.949 1.00 0.00 C ATOM 254 O GLY A 17 4.676 -8.544 -7.600 1.00 0.00 O ATOM 0 H GLY A 17 7.882 -7.288 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.594 -5.964 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.641 -7.107 -9.309 1.00 0.00 H new ATOM 258 N ALA A 18 4.125 -6.436 -8.160 1.00 0.00 N ATOM 259 CA ALA A 18 2.671 -6.599 -8.168 1.00 0.00 C ATOM 260 C ALA A 18 2.123 -7.269 -9.454 1.00 0.00 C ATOM 261 O ALA A 18 2.847 -7.497 -10.429 1.00 0.00 O ATOM 262 CB ALA A 18 2.083 -5.193 -7.959 1.00 0.00 C ATOM 0 H ALA A 18 4.412 -5.473 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 18 2.373 -7.284 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.995 -5.251 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.428 -4.792 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.409 -4.538 -8.767 1.00 0.00 H new ATOM 268 N ARG A 19 0.784 -7.348 -9.453 1.00 0.00 N ATOM 269 CA ARG A 19 -0.123 -7.073 -10.583 1.00 0.00 C ATOM 270 C ARG A 19 0.263 -5.787 -11.322 1.00 0.00 C ATOM 271 O ARG A 19 1.389 -5.306 -11.358 1.00 0.00 O ATOM 272 CB ARG A 19 -1.621 -7.116 -10.158 1.00 0.00 C ATOM 273 CG ARG A 19 -2.077 -8.035 -9.017 1.00 0.00 C ATOM 274 CD ARG A 19 -1.708 -9.532 -9.022 1.00 0.00 C ATOM 275 NE ARG A 19 -2.826 -10.414 -9.409 1.00 0.00 N ATOM 276 CZ ARG A 19 -3.179 -10.829 -10.620 1.00 0.00 C ATOM 277 NH1 ARG A 19 -2.409 -10.690 -11.688 1.00 0.00 N ATOM 278 NH2 ARG A 19 -4.332 -11.470 -10.718 1.00 0.00 N ATOM 0 H ARG A 19 0.272 -7.622 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.000 -7.882 -11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.909 -6.100 -9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.199 -7.387 -11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.691 -7.612 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.164 -7.972 -8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.876 -9.691 -9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.360 -9.815 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.407 -10.751 -8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.495 -10.246 -11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.730 -11.027 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.902 -11.624 -9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.651 -11.810 -11.625 1.00 0.00 H new ATOM 292 N ASP A 20 -0.712 -5.240 -12.021 1.00 0.00 N ATOM 293 CA ASP A 20 -0.628 -4.184 -13.019 1.00 0.00 C ATOM 294 C ASP A 20 -0.130 -2.783 -12.481 1.00 0.00 C ATOM 295 O ASP A 20 -0.083 -1.814 -13.242 1.00 0.00 O ATOM 296 CB ASP A 20 -2.060 -4.114 -13.611 1.00 0.00 C ATOM 297 CG ASP A 20 -2.242 -4.677 -15.038 1.00 0.00 C ATOM 298 OD1 ASP A 20 -1.346 -5.416 -15.517 1.00 0.00 O ATOM 299 OD2 ASP A 20 -3.318 -4.419 -15.631 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.675 -5.551 -11.895 1.00 0.00 H new ATOM 0 HA ASP A 20 0.137 -4.420 -13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.732 -4.652 -12.943 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.379 -3.072 -13.612 1.00 0.00 H new ATOM 304 N TRP A 21 0.277 -2.700 -11.208 1.00 0.00 N ATOM 305 CA TRP A 21 0.896 -1.519 -10.606 1.00 0.00 C ATOM 306 C TRP A 21 2.373 -1.285 -11.036 1.00 0.00 C ATOM 307 O TRP A 21 3.153 -2.183 -11.408 1.00 0.00 O ATOM 308 CB TRP A 21 0.780 -1.632 -9.061 1.00 0.00 C ATOM 309 CG TRP A 21 -0.593 -1.917 -8.529 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.438 -2.896 -8.939 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.396 -1.070 -7.645 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.692 -2.673 -8.444 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.739 -1.531 -7.693 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.170 0.142 -6.953 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.787 -0.846 -7.094 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -2.232 0.891 -6.419 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.539 0.384 -6.478 1.00 0.00 C ATOM 0 H TRP A 21 0.181 -3.476 -10.553 1.00 0.00 H new ATOM 0 HA TRP A 21 0.356 -0.646 -10.973 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.452 -2.421 -8.722 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.134 -0.700 -8.620 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.160 -3.730 -9.566 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.493 -3.282 -8.613 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.158 0.500 -6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.785 -1.259 -7.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.043 1.853 -5.965 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.355 0.945 -6.047 1.00 0.00 H new ATOM 328 N ASP A 22 2.757 -0.012 -10.885 1.00 0.00 N ATOM 329 CA ASP A 22 4.053 0.536 -11.211 1.00 0.00 C ATOM 330 C ASP A 22 4.747 0.851 -9.879 1.00 0.00 C ATOM 331 O ASP A 22 4.222 1.564 -9.025 1.00 0.00 O ATOM 332 CB ASP A 22 3.923 1.739 -12.160 1.00 0.00 C ATOM 333 CG ASP A 22 5.270 2.433 -12.421 1.00 0.00 C ATOM 334 OD1 ASP A 22 5.447 3.562 -11.919 1.00 0.00 O ATOM 335 OD2 ASP A 22 6.138 1.836 -13.101 1.00 0.00 O1- ATOM 0 H ASP A 22 2.125 0.694 -10.509 1.00 0.00 H new ATOM 0 HA ASP A 22 4.669 -0.172 -11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.500 1.406 -13.108 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.224 2.459 -11.735 1.00 0.00 H new ATOM 340 N VAL A 23 5.960 0.322 -9.730 1.00 0.00 N ATOM 341 CA VAL A 23 6.628 0.040 -8.498 1.00 0.00 C ATOM 342 C VAL A 23 7.633 1.120 -8.236 1.00 0.00 C ATOM 343 O VAL A 23 8.653 1.226 -8.916 1.00 0.00 O ATOM 344 CB VAL A 23 7.214 -1.401 -8.478 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.089 -1.573 -7.193 1.00 0.00 C ATOM 346 CG2 VAL A 23 5.995 -2.307 -8.140 1.00 0.00 C ATOM 0 H VAL A 23 6.528 0.067 -10.538 1.00 0.00 H new ATOM 0 HA VAL A 23 5.917 0.050 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 23 7.754 -1.612 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.505 -2.580 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.900 -0.845 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.472 -1.414 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.315 -3.348 -8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.586 -2.020 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.230 -2.188 -8.907 1.00 0.00 H new ATOM 356 N LEU A 24 7.178 1.947 -7.281 1.00 0.00 N ATOM 357 CA LEU A 24 7.605 3.283 -7.025 1.00 0.00 C ATOM 358 C LEU A 24 7.933 3.438 -5.557 1.00 0.00 C ATOM 359 O LEU A 24 7.269 2.860 -4.711 1.00 0.00 O ATOM 360 CB LEU A 24 6.518 4.233 -7.520 1.00 0.00 C ATOM 361 CG LEU A 24 6.590 4.470 -9.048 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.856 5.761 -9.332 1.00 0.00 C ATOM 363 CD2 LEU A 24 7.921 4.478 -9.825 1.00 0.00 C ATOM 0 H LEU A 24 6.448 1.652 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 24 8.521 3.527 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.540 3.826 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.611 5.188 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 24 6.157 3.547 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.883 5.967 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.820 5.670 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.336 6.578 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.725 4.663 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.567 5.264 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.414 3.513 -9.712 1.00 0.00 H new ATOM 375 N GLN A 25 8.944 4.236 -5.231 1.00 0.00 N ATOM 376 CA GLN A 25 9.258 4.591 -3.839 1.00 0.00 C ATOM 377 C GLN A 25 9.027 6.084 -3.598 1.00 0.00 C ATOM 378 O GLN A 25 9.955 6.871 -3.780 1.00 0.00 O ATOM 379 CB GLN A 25 10.667 4.151 -3.452 1.00 0.00 C ATOM 380 CG GLN A 25 10.883 2.629 -3.651 1.00 0.00 C ATOM 381 CD GLN A 25 10.118 1.718 -2.694 1.00 0.00 C ATOM 382 OE1 GLN A 25 10.473 1.523 -1.533 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.064 1.091 -3.171 1.00 0.00 N ATOM 0 H GLN A 25 9.571 4.657 -5.917 1.00 0.00 H new ATOM 0 HA GLN A 25 8.576 4.047 -3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.394 4.700 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.852 4.409 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.600 2.372 -4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.947 2.416 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.768 1.251 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.543 0.445 -2.578 1.00 0.00 H new ATOM 392 N THR A 26 7.789 6.421 -3.195 1.00 0.00 N ATOM 393 CA THR A 26 7.352 7.679 -2.656 1.00 0.00 C ATOM 394 C THR A 26 6.522 7.410 -1.352 1.00 0.00 C ATOM 395 O THR A 26 6.468 6.306 -0.780 1.00 0.00 O ATOM 396 CB THR A 26 6.696 8.485 -3.799 1.00 0.00 C ATOM 397 OG1 THR A 26 6.328 9.764 -3.345 1.00 0.00 O ATOM 398 CG2 THR A 26 5.418 7.858 -4.370 1.00 0.00 C ATOM 0 H THR A 26 7.021 5.752 -3.251 1.00 0.00 H new ATOM 0 HA THR A 26 8.154 8.328 -2.305 1.00 0.00 H new ATOM 0 HB THR A 26 7.455 8.509 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.915 10.265 -4.079 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.027 8.491 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.645 6.870 -4.770 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.673 7.767 -3.580 1.00 0.00 H new ATOM 406 N THR A 27 6.015 8.475 -0.747 1.00 0.00 N ATOM 407 CA THR A 27 5.320 8.486 0.536 1.00 0.00 C ATOM 408 C THR A 27 4.227 9.529 0.358 1.00 0.00 C ATOM 409 O THR A 27 4.498 10.589 -0.199 1.00 0.00 O ATOM 410 CB THR A 27 6.178 8.892 1.746 1.00 0.00 C ATOM 411 OG1 THR A 27 6.725 10.183 1.582 1.00 0.00 O ATOM 412 CG2 THR A 27 7.379 7.950 1.957 1.00 0.00 C ATOM 0 H THR A 27 6.080 9.406 -1.159 1.00 0.00 H new ATOM 0 HA THR A 27 4.981 7.475 0.761 1.00 0.00 H new ATOM 0 HB THR A 27 5.500 8.848 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.263 10.412 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.952 8.280 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.020 6.935 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.015 7.968 1.072 1.00 0.00 H new ATOM 420 N CYS A 28 3.036 9.320 0.855 1.00 0.00 N ATOM 421 CA CYS A 28 1.897 10.205 0.602 1.00 0.00 C ATOM 422 C CYS A 28 1.115 10.572 1.824 1.00 0.00 C ATOM 423 O CYS A 28 0.680 9.742 2.608 1.00 0.00 O ATOM 424 CB CYS A 28 1.009 9.447 -0.312 1.00 0.00 C ATOM 425 SG CYS A 28 -0.322 10.456 -0.974 1.00 0.00 S ATOM 0 H CYS A 28 2.813 8.526 1.455 1.00 0.00 H new ATOM 0 HA CYS A 28 2.269 11.147 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.599 9.044 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.585 8.597 0.222 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.060 9.736 -1.766 1.00 0.00 H new ATOM 431 N THR A 29 0.958 11.870 1.940 1.00 0.00 N ATOM 432 CA THR A 29 0.482 12.571 3.096 1.00 0.00 C ATOM 433 C THR A 29 -1.010 12.817 3.011 1.00 0.00 C ATOM 434 O THR A 29 -1.470 13.623 2.205 1.00 0.00 O ATOM 435 CB THR A 29 1.183 13.931 3.345 1.00 0.00 C ATOM 436 OG1 THR A 29 2.577 13.905 3.163 1.00 0.00 O ATOM 437 CG2 THR A 29 0.961 14.404 4.778 1.00 0.00 C ATOM 0 H THR A 29 1.177 12.503 1.171 1.00 0.00 H new ATOM 0 HA THR A 29 0.721 11.915 3.933 1.00 0.00 H new ATOM 0 HB THR A 29 0.736 14.597 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.946 14.796 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.463 15.360 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.107 14.522 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.369 13.668 5.471 1.00 0.00 H new ATOM 445 N VAL A 30 -1.746 12.151 3.883 1.00 0.00 N ATOM 446 CA VAL A 30 -3.200 12.207 4.033 1.00 0.00 C ATOM 447 C VAL A 30 -3.563 11.909 5.509 1.00 0.00 C ATOM 448 O VAL A 30 -2.790 11.260 6.199 1.00 0.00 O ATOM 449 CB VAL A 30 -3.888 11.243 3.033 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.384 11.042 3.324 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.793 11.738 1.577 1.00 0.00 C ATOM 0 H VAL A 30 -1.320 11.511 4.554 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.569 13.204 3.793 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.348 10.305 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.809 10.357 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.507 10.625 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.898 12.001 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.290 11.027 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.276 12.711 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.745 11.827 1.291 1.00 0.00 H new ATOM 461 N ASP A 31 -4.678 12.413 6.053 1.00 0.00 N ATOM 462 CA ASP A 31 -5.150 12.138 7.443 1.00 0.00 C ATOM 463 C ASP A 31 -4.296 12.824 8.529 1.00 0.00 C ATOM 464 O ASP A 31 -4.322 12.479 9.712 1.00 0.00 O ATOM 465 CB ASP A 31 -5.269 10.607 7.691 1.00 0.00 C ATOM 466 CG ASP A 31 -6.730 10.148 7.805 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.563 10.620 6.995 1.00 0.00 O ATOM 468 OD2 ASP A 31 -6.996 9.347 8.734 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.300 13.038 5.540 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.142 12.582 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.784 10.070 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.736 10.347 8.605 1.00 0.00 H new ATOM 473 N ARG A 32 -3.515 13.820 8.100 1.00 0.00 N ATOM 474 CA ARG A 32 -2.473 14.497 8.884 1.00 0.00 C ATOM 475 C ARG A 32 -1.287 13.536 9.183 1.00 0.00 C ATOM 476 O ARG A 32 -0.569 13.724 10.159 1.00 0.00 O ATOM 477 CB ARG A 32 -3.043 15.199 10.155 1.00 0.00 C ATOM 478 CG ARG A 32 -4.232 16.168 9.906 1.00 0.00 C ATOM 479 CD ARG A 32 -4.804 16.749 11.218 1.00 0.00 C ATOM 480 NE ARG A 32 -5.910 17.709 10.988 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.567 18.377 11.944 1.00 0.00 C ATOM 482 NH1 ARG A 32 -6.350 18.212 13.232 1.00 0.00 N ATOM 483 NH2 ARG A 32 -7.553 19.174 11.613 1.00 0.00 N ATOM 0 H ARG A 32 -3.594 14.194 7.155 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.071 15.306 8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.363 14.432 10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.237 15.755 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.903 16.985 9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.021 15.640 9.371 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.162 15.933 11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.005 17.247 11.768 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.194 17.874 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.647 17.544 13.549 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.884 18.752 13.913 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.815 19.282 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.059 19.687 12.335 1.00 0.00 H new ATOM 497 N LYS A 33 -1.075 12.508 8.350 1.00 0.00 N ATOM 498 CA LYS A 33 -0.015 11.487 8.411 1.00 0.00 C ATOM 499 C LYS A 33 0.548 11.215 6.998 1.00 0.00 C ATOM 500 O LYS A 33 -0.144 11.444 6.014 1.00 0.00 O ATOM 501 CB LYS A 33 -0.642 10.215 9.008 1.00 0.00 C ATOM 502 CG LYS A 33 0.386 9.090 9.138 1.00 0.00 C ATOM 503 CD LYS A 33 0.096 8.091 10.269 1.00 0.00 C ATOM 504 CE LYS A 33 -0.522 6.823 9.697 1.00 0.00 C ATOM 505 NZ LYS A 33 -1.052 5.940 10.756 1.00 0.00 N ATOM 0 H LYS A 33 -1.689 12.355 7.550 1.00 0.00 H new ATOM 0 HA LYS A 33 0.816 11.824 9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.061 10.441 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.467 9.884 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.434 8.547 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.369 9.530 9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.018 7.850 10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.581 8.539 10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.326 7.089 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.227 6.284 9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.669 4.981 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.771 6.308 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.090 5.909 10.695 1.00 0.00 H new ATOM 519 N VAL A 34 1.789 10.747 6.834 1.00 0.00 N ATOM 520 CA VAL A 34 2.248 10.202 5.576 1.00 0.00 C ATOM 521 C VAL A 34 2.282 8.687 5.685 1.00 0.00 C ATOM 522 O VAL A 34 2.560 8.138 6.745 1.00 0.00 O ATOM 523 CB VAL A 34 3.625 10.761 5.176 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.812 9.869 5.433 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.661 11.008 3.702 1.00 0.00 C ATOM 0 H VAL A 34 2.492 10.740 7.573 1.00 0.00 H new ATOM 0 HA VAL A 34 1.555 10.499 4.788 1.00 0.00 H new ATOM 0 HB VAL A 34 3.718 11.649 5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.723 10.373 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.878 9.649 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.695 8.939 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.638 11.404 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.484 10.072 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.888 11.728 3.435 1.00 0.00 H new ATOM 535 N TYR A 35 2.049 8.051 4.551 1.00 0.00 N ATOM 536 CA TYR A 35 2.085 6.605 4.357 1.00 0.00 C ATOM 537 C TYR A 35 3.112 6.264 3.301 1.00 0.00 C ATOM 538 O TYR A 35 3.234 7.001 2.326 1.00 0.00 O ATOM 539 CB TYR A 35 0.742 6.213 3.779 1.00 0.00 C ATOM 540 CG TYR A 35 -0.384 6.536 4.706 1.00 0.00 C ATOM 541 CD1 TYR A 35 -1.085 7.750 4.566 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.636 5.657 5.772 1.00 0.00 C ATOM 543 CE1 TYR A 35 -2.079 8.077 5.505 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.633 5.992 6.708 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.354 7.205 6.583 1.00 0.00 C ATOM 546 OH TYR A 35 -3.272 7.561 7.526 1.00 0.00 O ATOM 0 H TYR A 35 1.817 8.552 3.693 1.00 0.00 H new ATOM 0 HA TYR A 35 2.316 6.103 5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.591 6.730 2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.738 5.145 3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.862 8.420 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.075 4.740 5.872 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.634 8.998 5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.849 5.321 7.526 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.344 6.851 8.197 1.00 0.00 H new ATOM 556 N LYS A 36 3.837 5.155 3.411 1.00 0.00 N ATOM 557 CA LYS A 36 4.903 4.879 2.437 1.00 0.00 C ATOM 558 C LYS A 36 4.420 3.980 1.298 1.00 0.00 C ATOM 559 O LYS A 36 3.912 2.903 1.571 1.00 0.00 O ATOM 560 CB LYS A 36 6.112 4.246 3.108 1.00 0.00 C ATOM 561 CG LYS A 36 6.303 4.516 4.608 1.00 0.00 C ATOM 562 CD LYS A 36 7.520 3.772 5.166 1.00 0.00 C ATOM 563 CE LYS A 36 8.839 4.220 4.525 1.00 0.00 C ATOM 564 NZ LYS A 36 9.832 4.616 5.549 1.00 0.00 N ATOM 0 H LYS A 36 3.717 4.449 4.138 1.00 0.00 H new ATOM 0 HA LYS A 36 5.193 5.841 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.052 3.167 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.006 4.588 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.424 5.587 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.409 4.209 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.573 3.930 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.390 2.702 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.244 3.410 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.652 5.058 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.712 4.914 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.455 5.405 6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.028 3.808 6.174 1.00 0.00 H new ATOM 578 N THR A 37 4.506 4.469 0.064 1.00 0.00 N ATOM 579 CA THR A 37 3.943 3.849 -1.138 1.00 0.00 C ATOM 580 C THR A 37 4.859 2.722 -1.532 1.00 0.00 C ATOM 581 O THR A 37 6.044 2.808 -1.246 1.00 0.00 O ATOM 582 CB THR A 37 3.754 4.804 -2.325 1.00 0.00 C ATOM 583 OG1 THR A 37 5.025 4.989 -2.895 1.00 0.00 O ATOM 584 CG2 THR A 37 3.189 6.168 -1.903 1.00 0.00 C ATOM 0 H THR A 37 4.989 5.344 -0.137 1.00 0.00 H new ATOM 0 HA THR A 37 2.938 3.507 -0.890 1.00 0.00 H new ATOM 0 HB THR A 37 3.037 4.372 -3.023 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.947 4.998 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.076 6.803 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.218 6.028 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.872 6.642 -1.198 1.00 0.00 H new ATOM 592 N ILE A 38 4.345 1.755 -2.266 1.00 0.00 N ATOM 593 CA ILE A 38 5.137 0.729 -2.963 1.00 0.00 C ATOM 594 C ILE A 38 4.896 0.810 -4.443 1.00 0.00 C ATOM 595 O ILE A 38 5.801 0.560 -5.223 1.00 0.00 O ATOM 596 CB ILE A 38 4.741 -0.691 -2.541 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.159 -0.724 -1.092 1.00 0.00 C ATOM 598 CG2 ILE A 38 6.048 -1.517 -2.601 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.712 -2.129 -0.695 1.00 0.00 C ATOM 0 H ILE A 38 3.340 1.648 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 38 6.179 0.919 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 38 3.963 -1.086 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.913 -0.370 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.313 -0.040 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.841 -2.547 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.444 -1.499 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.781 -1.088 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.313 -2.111 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.939 -2.473 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.564 -2.808 -0.738 1.00 0.00 H new ATOM 611 N CYS A 39 3.639 1.012 -4.828 1.00 0.00 N ATOM 612 CA CYS A 39 3.221 0.968 -6.194 1.00 0.00 C ATOM 613 C CYS A 39 2.167 2.023 -6.345 1.00 0.00 C ATOM 614 O CYS A 39 1.430 2.308 -5.391 1.00 0.00 O ATOM 615 CB CYS A 39 2.776 -0.474 -6.499 1.00 0.00 C ATOM 616 SG CYS A 39 1.396 -1.168 -5.529 1.00 0.00 S ATOM 0 H CYS A 39 2.882 1.213 -4.175 1.00 0.00 H new ATOM 0 HA CYS A 39 3.999 1.192 -6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.501 -0.523 -7.553 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.640 -1.125 -6.364 1.00 0.00 H new ATOM 0 HG CYS A 39 0.286 -1.023 -6.189 1.00 0.00 H new ATOM 622 N LYS A 40 2.093 2.560 -7.551 1.00 0.00 N ATOM 623 CA LYS A 40 0.849 3.117 -8.002 1.00 0.00 C ATOM 624 C LYS A 40 0.153 2.346 -9.092 1.00 0.00 C ATOM 625 O LYS A 40 0.791 1.720 -9.931 1.00 0.00 O ATOM 626 CB LYS A 40 0.929 4.582 -8.433 1.00 0.00 C ATOM 627 CG LYS A 40 1.812 4.883 -9.641 1.00 0.00 C ATOM 628 CD LYS A 40 1.074 5.842 -10.583 1.00 0.00 C ATOM 629 CE LYS A 40 1.471 7.304 -10.505 1.00 0.00 C ATOM 630 NZ LYS A 40 2.850 7.556 -11.003 1.00 0.00 N ATOM 0 H LYS A 40 2.865 2.618 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 40 0.250 3.041 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.081 4.930 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.292 5.168 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.753 5.327 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.059 3.959 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.228 5.501 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.006 5.767 -10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.766 7.898 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.396 7.641 -9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.067 8.570 -10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.530 7.012 -10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.919 7.262 -11.998 1.00 0.00 H new ATOM 644 N ARG A 41 -1.161 2.510 -9.135 1.00 0.00 N ATOM 645 CA ARG A 41 -1.942 2.193 -10.295 1.00 0.00 C ATOM 646 C ARG A 41 -2.950 3.294 -10.474 1.00 0.00 C ATOM 647 O ARG A 41 -3.707 3.664 -9.591 1.00 0.00 O ATOM 648 CB ARG A 41 -2.610 0.855 -10.124 1.00 0.00 C ATOM 649 CG ARG A 41 -3.095 0.331 -11.460 1.00 0.00 C ATOM 650 CD ARG A 41 -4.181 -0.693 -11.151 1.00 0.00 C ATOM 651 NE ARG A 41 -4.617 -1.476 -12.322 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.649 -2.322 -12.262 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.360 -2.543 -11.174 1.00 0.00 N ATOM 654 NH2 ARG A 41 -5.964 -3.045 -13.312 1.00 0.00 N ATOM 0 H ARG A 41 -1.708 2.870 -8.353 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.313 2.122 -11.182 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.910 0.146 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.450 0.946 -9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.488 1.140 -12.075 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.278 -0.126 -12.018 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.814 -1.377 -10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.044 -0.177 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.116 -1.368 -13.204 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.133 -2.053 -10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.137 -3.204 -11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.421 -2.960 -14.171 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.752 -3.692 -13.268 1.00 0.00 H new ATOM 668 N GLY A 42 -2.870 3.911 -11.626 1.00 0.00 N ATOM 669 CA GLY A 42 -3.702 5.045 -11.956 1.00 0.00 C ATOM 670 C GLY A 42 -3.431 6.222 -11.030 1.00 0.00 C ATOM 671 O GLY A 42 -2.289 6.631 -10.844 1.00 0.00 O ATOM 0 H GLY A 42 -2.223 3.641 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.520 5.343 -12.988 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.752 4.760 -11.887 1.00 0.00 H new ATOM 675 N ASN A 43 -4.492 6.759 -10.424 1.00 0.00 N ATOM 676 CA ASN A 43 -4.391 7.850 -9.433 1.00 0.00 C ATOM 677 C ASN A 43 -4.107 7.329 -8.013 1.00 0.00 C ATOM 678 O ASN A 43 -4.129 8.117 -7.075 1.00 0.00 O ATOM 679 CB ASN A 43 -5.673 8.718 -9.497 1.00 0.00 C ATOM 680 CG ASN A 43 -6.932 8.213 -8.770 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.018 6.961 -8.353 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -7.875 8.967 -8.585 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.449 6.455 -10.602 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.534 8.473 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.429 9.702 -9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.929 8.857 -10.547 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.823 9.935 -8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.714 8.628 -8.114 1.00 0.00 H new ATOM 689 N THR A 44 -3.951 6.005 -7.855 1.00 0.00 N ATOM 690 CA THR A 44 -3.942 5.321 -6.532 1.00 0.00 C ATOM 691 C THR A 44 -2.604 4.705 -6.230 1.00 0.00 C ATOM 692 O THR A 44 -1.858 4.339 -7.119 1.00 0.00 O ATOM 693 CB THR A 44 -5.090 4.337 -6.332 1.00 0.00 C ATOM 694 OG1 THR A 44 -5.085 3.903 -4.994 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.208 3.127 -7.241 1.00 0.00 C ATOM 0 H THR A 44 -3.826 5.366 -8.640 1.00 0.00 H new ATOM 0 HA THR A 44 -4.115 6.107 -5.797 1.00 0.00 H new ATOM 0 HB THR A 44 -5.961 4.928 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.820 3.271 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.081 2.540 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.317 3.457 -8.274 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.312 2.514 -7.148 1.00 0.00 H new ATOM 703 N TYR A 45 -2.214 4.683 -4.974 1.00 0.00 N ATOM 704 CA TYR A 45 -0.841 4.550 -4.488 1.00 0.00 C ATOM 705 C TYR A 45 -1.060 3.725 -3.270 1.00 0.00 C ATOM 706 O TYR A 45 -1.742 4.141 -2.323 1.00 0.00 O ATOM 707 CB TYR A 45 -0.137 5.844 -4.083 1.00 0.00 C ATOM 708 CG TYR A 45 0.352 6.694 -5.213 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.735 6.834 -5.428 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.572 7.362 -6.047 1.00 0.00 C ATOM 711 CE1 TYR A 45 2.168 7.736 -6.406 1.00 0.00 C ATOM 712 CE2 TYR A 45 -0.113 8.236 -7.036 1.00 0.00 C ATOM 713 CZ TYR A 45 1.264 8.485 -7.200 1.00 0.00 C ATOM 714 OH TYR A 45 1.680 9.460 -8.063 1.00 0.00 O ATOM 0 H TYR A 45 -2.884 4.762 -4.209 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.192 4.152 -5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.823 6.436 -3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.712 5.591 -3.448 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.445 6.259 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.632 7.197 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.229 7.866 -6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.824 8.728 -7.684 1.00 0.00 H new ATOM 0 HH TYR A 45 0.903 9.852 -8.513 1.00 0.00 H new ATOM 724 N LEU A 46 -0.585 2.505 -3.357 1.00 0.00 N ATOM 725 CA LEU A 46 -0.773 1.568 -2.297 1.00 0.00 C ATOM 726 C LEU A 46 0.423 1.644 -1.378 1.00 0.00 C ATOM 727 O LEU A 46 1.571 1.583 -1.825 1.00 0.00 O ATOM 728 CB LEU A 46 -0.972 0.235 -2.963 1.00 0.00 C ATOM 729 CG LEU A 46 -2.408 -0.195 -3.270 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.956 -1.177 -2.210 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.433 0.945 -3.315 1.00 0.00 C ATOM 0 H LEU A 46 -0.065 2.146 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.639 1.765 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.415 0.241 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.521 -0.528 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.311 -0.644 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.978 -1.456 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.331 -2.070 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.946 -0.698 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.419 0.539 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.459 1.449 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.150 1.658 -4.089 1.00 0.00 H new ATOM 743 N CYS A 47 0.109 1.852 -0.110 1.00 0.00 N ATOM 744 CA CYS A 47 1.045 2.282 0.907 1.00 0.00 C ATOM 745 C CYS A 47 0.971 1.386 2.129 1.00 0.00 C ATOM 746 O CYS A 47 0.042 0.592 2.276 1.00 0.00 O ATOM 747 CB CYS A 47 0.739 3.733 1.341 1.00 0.00 C ATOM 748 SG CYS A 47 0.358 4.824 -0.047 1.00 0.00 S ATOM 0 H CYS A 47 -0.837 1.721 0.248 1.00 0.00 H new ATOM 0 HA CYS A 47 2.045 2.224 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.103 3.729 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.596 4.132 1.884 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.582 4.293 -0.771 1.00 0.00 H new ATOM 754 N PHE A 48 1.893 1.607 3.059 1.00 0.00 N ATOM 755 CA PHE A 48 1.957 0.899 4.323 1.00 0.00 C ATOM 756 C PHE A 48 2.238 1.782 5.534 1.00 0.00 C ATOM 757 O PHE A 48 2.768 2.887 5.406 1.00 0.00 O ATOM 758 CB PHE A 48 2.948 -0.255 4.186 1.00 0.00 C ATOM 759 CG PHE A 48 4.414 0.057 4.133 1.00 0.00 C ATOM 760 CD1 PHE A 48 5.203 -0.209 5.256 1.00 0.00 C ATOM 761 CD2 PHE A 48 5.009 0.393 2.912 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.599 -0.167 5.161 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.408 0.478 2.817 1.00 0.00 C ATOM 764 CZ PHE A 48 7.216 0.182 3.940 1.00 0.00 C ATOM 0 H PHE A 48 2.632 2.301 2.948 1.00 0.00 H new ATOM 0 HA PHE A 48 0.962 0.506 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.784 -0.932 5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.694 -0.803 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.734 -0.448 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.395 0.586 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.205 -0.402 6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.868 0.770 1.884 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.293 0.223 3.864 1.00 0.00 H new ATOM 774 N ASP A 49 1.845 1.248 6.688 1.00 0.00 N ATOM 775 CA ASP A 49 2.272 1.725 8.018 1.00 0.00 C ATOM 776 C ASP A 49 3.029 0.559 8.687 1.00 0.00 C ATOM 777 O ASP A 49 3.316 -0.477 8.097 1.00 0.00 O ATOM 778 CB ASP A 49 1.079 2.029 8.955 1.00 0.00 C ATOM 779 CG ASP A 49 0.304 3.348 8.926 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.629 3.463 9.760 1.00 0.00 O ATOM 781 OD2 ASP A 49 0.710 4.307 8.249 1.00 0.00 O1- ATOM 0 H ASP A 49 1.207 0.454 6.735 1.00 0.00 H new ATOM 0 HA ASP A 49 2.858 2.633 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.347 1.238 8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.449 1.912 9.973 1.00 0.00 H new ATOM 786 N ASP A 50 3.222 0.678 10.000 1.00 0.00 N ATOM 787 CA ASP A 50 3.441 -0.459 10.889 1.00 0.00 C ATOM 788 C ASP A 50 2.218 -1.364 11.060 1.00 0.00 C ATOM 789 O ASP A 50 2.365 -2.507 11.501 1.00 0.00 O ATOM 790 CB ASP A 50 3.804 0.009 12.316 1.00 0.00 C ATOM 791 CG ASP A 50 5.209 0.563 12.557 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.173 0.211 11.843 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.306 1.357 13.525 1.00 0.00 O1- ATOM 0 H ASP A 50 3.231 1.578 10.481 1.00 0.00 H new ATOM 0 HA ASP A 50 4.247 -1.013 10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.088 0.778 12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.658 -0.834 12.991 1.00 0.00 H new ATOM 798 N THR A 51 1.030 -0.822 10.779 1.00 0.00 N ATOM 799 CA THR A 51 -0.237 -1.376 11.237 1.00 0.00 C ATOM 800 C THR A 51 -0.849 -2.346 10.244 1.00 0.00 C ATOM 801 O THR A 51 -1.606 -3.220 10.654 1.00 0.00 O ATOM 802 CB THR A 51 -1.222 -0.226 11.520 1.00 0.00 C ATOM 803 OG1 THR A 51 -1.441 0.541 10.363 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.760 0.713 12.630 1.00 0.00 C ATOM 0 H THR A 51 0.925 0.024 10.220 1.00 0.00 H new ATOM 0 HA THR A 51 -0.036 -1.941 12.147 1.00 0.00 H new ATOM 0 HB THR A 51 -2.142 -0.711 11.847 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.061 1.436 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.502 1.498 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.641 0.151 13.556 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.194 1.162 12.353 1.00 0.00 H new ATOM 812 N ASN A 52 -0.624 -2.118 8.952 1.00 0.00 N ATOM 813 CA ASN A 52 -1.405 -2.518 7.831 1.00 0.00 C ATOM 814 C ASN A 52 -0.966 -1.639 6.666 1.00 0.00 C ATOM 815 O ASN A 52 0.118 -1.054 6.627 1.00 0.00 O ATOM 816 CB ASN A 52 -2.923 -2.609 8.091 1.00 0.00 C ATOM 817 CG ASN A 52 -3.645 -1.415 8.713 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.747 -0.302 8.008 1.00 0.00 O flip ATOM 819 ND2 ASN A 52 -4.224 -1.506 9.792 1.00 0.00 N flip ATOM 0 H ASN A 52 0.199 -1.593 8.657 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.213 -3.561 7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.407 -2.825 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.094 -3.469 8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.149 -2.363 10.340 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.780 -0.725 10.140 1.00 0.00 H new ATOM 826 N LEU A 53 -1.852 -1.561 5.694 1.00 0.00 N ATOM 827 CA LEU A 53 -1.694 -0.938 4.415 1.00 0.00 C ATOM 828 C LEU A 53 -2.858 0.002 4.185 1.00 0.00 C ATOM 829 O LEU A 53 -3.910 -0.142 4.818 1.00 0.00 O ATOM 830 CB LEU A 53 -1.732 -2.074 3.404 1.00 0.00 C ATOM 831 CG LEU A 53 -0.577 -3.043 3.667 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.698 -4.151 2.691 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.798 -2.434 3.487 1.00 0.00 C ATOM 0 H LEU A 53 -2.780 -1.971 5.798 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.770 -0.365 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.683 -2.601 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.660 -1.675 2.392 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.655 -3.358 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.111 -4.864 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.656 -4.653 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.638 -3.752 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.559 -3.187 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.907 -2.078 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.919 -1.598 4.176 1.00 0.00 H new ATOM 845 N TYR A 54 -2.695 0.920 3.241 1.00 0.00 N ATOM 846 CA TYR A 54 -3.768 1.818 2.844 1.00 0.00 C ATOM 847 C TYR A 54 -3.718 2.078 1.338 1.00 0.00 C ATOM 848 O TYR A 54 -2.631 2.092 0.749 1.00 0.00 O ATOM 849 CB TYR A 54 -3.791 3.141 3.642 1.00 0.00 C ATOM 850 CG TYR A 54 -3.607 3.052 5.151 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.660 3.448 5.992 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.414 2.567 5.728 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.524 3.403 7.386 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.343 2.345 7.112 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.380 2.809 7.952 1.00 0.00 C ATOM 856 OH TYR A 54 -3.342 2.604 9.291 1.00 0.00 O ATOM 0 H TYR A 54 -1.822 1.061 2.733 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.703 1.312 3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.009 3.788 3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.743 3.635 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.587 3.792 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.555 2.367 5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.291 3.821 8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.498 1.821 7.534 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.672 1.920 9.498 1.00 0.00 H new ATOM 866 N ALA A 55 -4.876 2.293 0.710 1.00 0.00 N ATOM 867 CA ALA A 55 -4.917 2.907 -0.608 1.00 0.00 C ATOM 868 C ALA A 55 -5.174 4.388 -0.429 1.00 0.00 C ATOM 869 O ALA A 55 -6.209 4.746 0.120 1.00 0.00 O ATOM 870 CB ALA A 55 -5.989 2.214 -1.462 1.00 0.00 C ATOM 0 H ALA A 55 -5.789 2.051 1.094 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.971 2.789 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.020 2.674 -2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.747 1.156 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.962 2.320 -0.981 1.00 0.00 H new ATOM 876 N ILE A 56 -4.275 5.246 -0.908 1.00 0.00 N ATOM 877 CA ILE A 56 -4.598 6.659 -1.077 1.00 0.00 C ATOM 878 C ILE A 56 -5.022 6.886 -2.518 1.00 0.00 C ATOM 879 O ILE A 56 -4.204 6.962 -3.434 1.00 0.00 O ATOM 880 CB ILE A 56 -3.484 7.594 -0.595 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.406 7.582 0.951 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.863 9.038 -1.007 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.325 6.665 1.505 1.00 0.00 C ATOM 0 H ILE A 56 -3.327 4.990 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.435 6.920 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.536 7.271 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.224 8.597 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.372 7.273 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.086 9.727 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.959 9.094 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.811 9.311 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.332 6.710 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.516 5.641 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.351 6.986 1.135 1.00 0.00 H new ATOM 895 N THR A 57 -6.337 6.970 -2.698 1.00 0.00 N ATOM 896 CA THR A 57 -6.967 7.232 -3.983 1.00 0.00 C ATOM 897 C THR A 57 -7.118 8.750 -4.056 1.00 0.00 C ATOM 898 O THR A 57 -8.100 9.318 -3.573 1.00 0.00 O ATOM 899 CB THR A 57 -8.280 6.454 -4.126 1.00 0.00 C ATOM 900 OG1 THR A 57 -8.180 5.147 -3.608 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.660 6.303 -5.586 1.00 0.00 C ATOM 0 H THR A 57 -7.006 6.855 -1.937 1.00 0.00 H new ATOM 0 HA THR A 57 -6.373 6.883 -4.828 1.00 0.00 H new ATOM 0 HB THR A 57 -9.025 7.026 -3.573 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.038 4.685 -3.717 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.595 5.748 -5.663 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.786 7.289 -6.033 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.873 5.763 -6.113 1.00 0.00 H new ATOM 909 N GLY A 58 -6.068 9.416 -4.549 1.00 0.00 N ATOM 910 CA GLY A 58 -5.953 10.886 -4.579 1.00 0.00 C ATOM 911 C GLY A 58 -5.728 11.488 -3.182 1.00 0.00 C ATOM 912 O GLY A 58 -4.606 11.858 -2.845 1.00 0.00 O ATOM 0 H GLY A 58 -5.257 8.943 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.126 11.169 -5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.859 11.309 -5.012 1.00 0.00 H new ATOM 916 N ASP A 59 -6.805 11.560 -2.393 1.00 0.00 N ATOM 917 CA ASP A 59 -6.828 12.022 -0.994 1.00 0.00 C ATOM 918 C ASP A 59 -7.738 11.151 -0.109 1.00 0.00 C ATOM 919 O ASP A 59 -8.010 11.481 1.046 1.00 0.00 O ATOM 920 CB ASP A 59 -7.191 13.513 -0.923 1.00 0.00 C ATOM 921 CG ASP A 59 -8.570 13.890 -1.478 1.00 0.00 C ATOM 922 OD1 ASP A 59 -8.639 14.297 -2.665 1.00 0.00 O ATOM 923 OD2 ASP A 59 -9.550 13.934 -0.703 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.730 11.286 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.823 11.909 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.140 13.831 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.434 14.078 -1.467 1.00 0.00 H new ATOM 928 N VAL A 60 -8.207 10.021 -0.646 1.00 0.00 N ATOM 929 CA VAL A 60 -9.046 9.042 0.036 1.00 0.00 C ATOM 930 C VAL A 60 -8.144 7.976 0.616 1.00 0.00 C ATOM 931 O VAL A 60 -7.668 7.135 -0.141 1.00 0.00 O ATOM 932 CB VAL A 60 -10.050 8.374 -0.933 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.839 7.219 -0.279 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.017 9.412 -1.528 1.00 0.00 C ATOM 0 H VAL A 60 -8.001 9.756 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.617 9.551 0.812 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.455 7.939 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.527 6.790 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.145 6.451 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.403 7.600 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.712 8.916 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.575 9.892 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.451 10.164 -2.077 1.00 0.00 H new ATOM 944 N VAL A 61 -7.901 8.017 1.926 1.00 0.00 N ATOM 945 CA VAL A 61 -7.184 6.946 2.613 1.00 0.00 C ATOM 946 C VAL A 61 -8.136 5.800 2.944 1.00 0.00 C ATOM 947 O VAL A 61 -9.148 5.976 3.624 1.00 0.00 O ATOM 948 CB VAL A 61 -6.394 7.474 3.820 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.236 7.796 5.064 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.315 6.467 4.228 1.00 0.00 C ATOM 0 H VAL A 61 -8.192 8.783 2.533 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.428 6.536 1.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.968 8.416 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.586 8.161 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.972 8.561 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.748 6.894 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.762 6.853 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.784 5.520 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.630 6.310 3.395 1.00 0.00 H new ATOM 960 N LEU A 62 -7.803 4.618 2.440 1.00 0.00 N ATOM 961 CA LEU A 62 -8.500 3.376 2.731 1.00 0.00 C ATOM 962 C LEU A 62 -7.534 2.385 3.353 1.00 0.00 C ATOM 963 O LEU A 62 -6.842 1.649 2.668 1.00 0.00 O ATOM 964 CB LEU A 62 -9.190 2.842 1.468 1.00 0.00 C ATOM 965 CG LEU A 62 -9.648 1.357 1.530 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.336 0.903 2.839 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.620 1.104 0.381 1.00 0.00 C ATOM 0 H LEU A 62 -7.018 4.496 1.800 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.292 3.550 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.061 3.464 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.508 2.958 0.626 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.727 0.777 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.609 -0.149 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.651 1.039 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.234 1.499 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.953 0.066 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.482 1.764 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.121 1.301 -0.568 1.00 0.00 H new ATOM 979 N LYS A 63 -7.654 2.263 4.666 1.00 0.00 N ATOM 980 CA LYS A 63 -7.156 1.167 5.472 1.00 0.00 C ATOM 981 C LYS A 63 -7.658 -0.218 5.035 1.00 0.00 C ATOM 982 O LYS A 63 -8.835 -0.574 5.103 1.00 0.00 O ATOM 983 CB LYS A 63 -7.383 1.577 6.940 1.00 0.00 C ATOM 984 CG LYS A 63 -7.856 0.453 7.827 1.00 0.00 C ATOM 985 CD LYS A 63 -7.303 0.476 9.252 1.00 0.00 C ATOM 986 CE LYS A 63 -7.874 -0.828 9.790 1.00 0.00 C ATOM 987 NZ LYS A 63 -8.662 -0.641 11.035 1.00 0.00 N ATOM 0 H LYS A 63 -8.130 2.969 5.227 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.088 1.009 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.452 1.976 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.116 2.383 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.945 0.483 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.583 -0.495 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.213 0.492 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.646 1.343 9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.508 -1.283 9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.058 -1.524 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.027 -1.560 11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.054 -0.233 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.459 0.001 10.849 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.692 -1.090 4.789 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.905 -2.525 4.733 1.00 0.00 C ATOM 1003 C PHE A 64 -6.818 -3.102 6.153 1.00 0.00 C ATOM 1004 O PHE A 64 -5.864 -2.806 6.862 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.819 -3.109 3.851 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.943 -2.689 2.402 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.078 -1.726 1.856 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.007 -3.182 1.630 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.252 -1.291 0.535 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.180 -2.744 0.312 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.284 -1.822 -0.254 1.00 0.00 C ATOM 0 H PHE A 64 -5.724 -0.815 4.620 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.886 -2.768 4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.845 -2.800 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.855 -4.197 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.277 -1.320 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.693 -3.900 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.589 -0.544 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.007 -3.117 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.388 -1.524 -1.287 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.741 -3.971 6.569 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.676 -4.624 7.894 1.00 0.00 C ATOM 1023 C ALA A 65 -6.514 -5.600 8.085 1.00 0.00 C ATOM 1024 O ALA A 65 -6.410 -6.233 9.134 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.977 -5.377 8.163 1.00 0.00 C ATOM 0 H ALA A 65 -8.549 -4.245 6.010 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.515 -3.808 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.924 -5.857 9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.813 -4.677 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.124 -6.136 7.394 1.00 0.00 H new ATOM 1031 N THR A 66 -5.677 -5.816 7.073 1.00 0.00 N ATOM 1032 CA THR A 66 -4.620 -6.810 7.066 1.00 0.00 C ATOM 1033 C THR A 66 -3.630 -6.272 6.094 1.00 0.00 C ATOM 1034 O THR A 66 -3.875 -5.297 5.384 1.00 0.00 O ATOM 1035 CB THR A 66 -5.075 -8.179 6.534 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.464 -8.323 6.671 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.547 -9.378 7.292 1.00 0.00 C ATOM 0 H THR A 66 -5.723 -5.281 6.206 1.00 0.00 H new ATOM 0 HA THR A 66 -4.254 -6.969 8.080 1.00 0.00 H new ATOM 0 HB THR A 66 -4.701 -8.174 5.510 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.738 -9.199 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.927 -10.293 6.836 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.458 -9.380 7.256 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.876 -9.326 8.330 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.564 -7.020 6.010 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.656 -6.850 4.933 1.00 0.00 C ATOM 1047 C VAL A 67 -2.110 -7.610 3.674 1.00 0.00 C ATOM 1048 O VAL A 67 -2.110 -7.055 2.575 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.302 -7.379 5.372 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.623 -6.494 4.616 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.265 -7.304 6.772 1.00 0.00 C ATOM 0 H VAL A 67 -2.312 -7.749 6.678 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.608 -5.791 4.680 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.416 -8.454 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.654 -6.768 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.443 -6.607 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.452 -5.457 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.253 -7.764 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.345 -6.261 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.394 -7.833 7.460 1.00 0.00 H new ATOM 1061 N SER A 68 -2.546 -8.870 3.818 1.00 0.00 N ATOM 1062 CA SER A 68 -2.925 -9.700 2.673 1.00 0.00 C ATOM 1063 C SER A 68 -4.091 -9.117 1.877 1.00 0.00 C ATOM 1064 O SER A 68 -4.212 -9.395 0.685 1.00 0.00 O ATOM 1065 CB SER A 68 -3.220 -11.121 3.143 1.00 0.00 C ATOM 1066 OG SER A 68 -4.106 -11.076 4.238 1.00 0.00 O ATOM 0 H SER A 68 -2.644 -9.335 4.721 1.00 0.00 H new ATOM 0 HA SER A 68 -2.080 -9.721 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.657 -11.701 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.295 -11.621 3.430 1.00 0.00 H new ATOM 0 HG SER A 68 -4.298 -11.988 4.541 1.00 0.00 H new ATOM 1072 N LYS A 69 -4.921 -8.260 2.482 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.019 -7.605 1.774 1.00 0.00 C ATOM 1074 C LYS A 69 -5.584 -6.775 0.595 1.00 0.00 C ATOM 1075 O LYS A 69 -6.185 -6.883 -0.471 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.791 -6.662 2.679 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.040 -7.154 4.087 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.430 -6.736 4.532 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.333 -7.911 4.148 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.798 -7.625 4.220 1.00 0.00 N ATOM 0 H LYS A 69 -4.849 -8.005 3.467 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.631 -8.439 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.249 -5.718 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.753 -6.449 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.945 -8.239 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.291 -6.744 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.462 -6.547 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.744 -5.817 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.087 -8.223 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.109 -8.753 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.331 -8.474 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.052 -7.357 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.031 -6.844 3.574 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.531 -5.969 0.775 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.065 -5.115 -0.308 1.00 0.00 C ATOM 1096 C ALA A 70 -3.771 -5.935 -1.581 1.00 0.00 C ATOM 1097 O ALA A 70 -4.133 -5.560 -2.683 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.839 -4.363 0.186 1.00 0.00 C ATOM 0 H ALA A 70 -4.000 -5.895 1.643 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.840 -4.401 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.467 -3.713 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.107 -3.760 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.063 -5.076 0.465 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.255 -7.143 -1.424 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.932 -8.074 -2.511 1.00 0.00 C ATOM 1106 C ARG A 71 -4.156 -8.533 -3.319 1.00 0.00 C ATOM 1107 O ARG A 71 -4.072 -8.706 -4.531 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.245 -9.294 -1.888 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.231 -9.918 -2.855 1.00 0.00 C ATOM 1110 CD ARG A 71 0.066 -10.311 -2.149 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.081 -11.496 -1.298 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.967 -12.030 -0.687 1.00 0.00 C ATOM 1113 NH1 ARG A 71 2.184 -11.608 -0.921 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.851 -13.006 0.180 1.00 0.00 N ATOM 0 H ARG A 71 -3.038 -7.524 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.287 -7.551 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.740 -8.999 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.995 -10.036 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.671 -10.799 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.009 -9.210 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.837 -10.500 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.410 -9.474 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.003 -11.915 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.342 -10.852 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.974 -12.036 -0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.070 -13.381 0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.682 -13.390 0.629 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.307 -8.684 -2.658 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.591 -9.001 -3.271 1.00 0.00 C ATOM 1130 C ALA A 72 -7.323 -7.751 -3.801 1.00 0.00 C ATOM 1131 O ALA A 72 -8.236 -7.868 -4.614 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.398 -9.734 -2.198 1.00 0.00 C ATOM 0 H ALA A 72 -5.368 -8.584 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.453 -9.624 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.377 -10.000 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.869 -10.639 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.524 -9.085 -1.331 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.860 -6.560 -3.415 1.00 0.00 N ATOM 1139 CA TYR A 73 -7.262 -5.259 -3.964 1.00 0.00 C ATOM 1140 C TYR A 73 -6.425 -4.888 -5.204 1.00 0.00 C ATOM 1141 O TYR A 73 -6.902 -4.294 -6.153 1.00 0.00 O ATOM 1142 CB TYR A 73 -7.176 -4.260 -2.815 1.00 0.00 C ATOM 1143 CG TYR A 73 -7.253 -2.837 -3.281 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -6.127 -2.309 -3.924 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.415 -2.062 -3.104 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -6.174 -1.053 -4.501 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.431 -0.737 -3.586 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.316 -0.241 -4.305 1.00 0.00 C ATOM 1149 OH TYR A 73 -7.373 0.983 -4.884 1.00 0.00 O ATOM 0 H TYR A 73 -6.162 -6.470 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.284 -5.270 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.985 -4.452 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.241 -4.412 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.215 -2.886 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.280 -2.476 -2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.347 -0.695 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.288 -0.104 -3.408 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.289 0.889 -5.856 1.00 0.00 H new ATOM 1159 N LEU A 74 -5.160 -5.283 -5.232 1.00 0.00 N ATOM 1160 CA LEU A 74 -4.192 -5.012 -6.281 1.00 0.00 C ATOM 1161 C LEU A 74 -4.585 -5.533 -7.664 1.00 0.00 C ATOM 1162 O LEU A 74 -4.153 -5.022 -8.697 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.937 -5.708 -5.755 1.00 0.00 C ATOM 1164 CG LEU A 74 -2.000 -4.861 -4.880 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.891 -4.432 -5.780 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -2.480 -3.505 -4.392 1.00 0.00 C ATOM 0 H LEU A 74 -4.759 -5.836 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.081 -3.942 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.246 -6.580 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.367 -6.076 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.815 -5.499 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.183 -3.822 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.381 -5.311 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.298 -3.849 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.701 -3.039 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.706 -2.869 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.378 -3.633 -3.788 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.404 -6.575 -7.679 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.986 -7.181 -8.866 1.00 0.00 C ATOM 1180 C GLU A 75 -7.378 -6.612 -9.214 1.00 0.00 C ATOM 1181 O GLU A 75 -7.967 -7.057 -10.197 1.00 0.00 O ATOM 1182 CB GLU A 75 -6.003 -8.717 -8.718 1.00 0.00 C ATOM 1183 CG GLU A 75 -6.166 -9.262 -7.279 1.00 0.00 C ATOM 1184 CD GLU A 75 -6.099 -10.799 -7.244 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -5.295 -11.342 -8.044 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.867 -11.449 -6.487 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.694 -7.043 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.353 -6.922 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.816 -9.111 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.075 -9.111 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.384 -8.849 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.120 -8.929 -6.869 1.00 0.00 H new ATOM 1193 N THR A 76 -7.869 -5.634 -8.436 1.00 0.00 N ATOM 1194 CA THR A 76 -9.226 -5.048 -8.536 1.00 0.00 C ATOM 1195 C THR A 76 -9.283 -3.662 -7.858 1.00 0.00 C ATOM 1196 O THR A 76 -9.519 -3.506 -6.664 1.00 0.00 O ATOM 1197 CB THR A 76 -10.288 -6.050 -8.047 1.00 0.00 C ATOM 1198 OG1 THR A 76 -11.569 -5.659 -8.505 1.00 0.00 O ATOM 1199 CG2 THR A 76 -10.346 -6.206 -6.537 1.00 0.00 C ATOM 0 H THR A 76 -7.316 -5.210 -7.691 1.00 0.00 H new ATOM 0 HA THR A 76 -9.466 -4.859 -9.582 1.00 0.00 H new ATOM 0 HB THR A 76 -9.991 -7.014 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.239 -6.302 -8.191 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.119 -6.929 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.382 -6.557 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.579 -5.244 -6.081 1.00 0.00 H new ATOM 1207 N LYS A 77 -9.155 -2.669 -8.742 1.00 0.00 N ATOM 1208 CA LYS A 77 -9.070 -1.193 -8.643 1.00 0.00 C ATOM 1209 C LYS A 77 -7.673 -0.676 -8.217 1.00 0.00 C ATOM 1210 O LYS A 77 -7.615 0.300 -7.381 1.00 0.00 O ATOM 1211 CB LYS A 77 -10.217 -0.668 -7.787 1.00 0.00 C ATOM 1212 CG LYS A 77 -11.640 -0.750 -8.368 1.00 0.00 C ATOM 1213 CD LYS A 77 -12.339 -2.118 -8.305 1.00 0.00 C ATOM 1214 CE LYS A 77 -12.566 -2.611 -6.865 1.00 0.00 C ATOM 1215 NZ LYS A 77 -13.201 -3.957 -6.844 1.00 0.00 N ATOM 1216 OXT LYS A 77 -6.709 -1.096 -8.835 1.00 0.00 O1- ATOM 0 H LYS A 77 -9.098 -2.926 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.190 -0.779 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.208 -1.214 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.010 0.376 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.263 -0.026 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.599 -0.438 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.299 -2.053 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.739 -2.851 -8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.613 -2.649 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.198 -1.901 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.232 -4.311 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.169 -3.890 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.646 -4.612 -7.432 1.00 0.00 H new TER 1230 LYS A 77