USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=26 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 173:sc= 0.871 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 73 TYR OH : rot 60:sc= 0.795 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.459 K(o=0.67,f=0.012) USER MOD Set 2.2: A 54 TYR OH : rot -138:sc= 1.13 USER MOD Single : A 1 SER N :NH3+ -109:sc= 0.171 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -160:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.487 F(o=-1,f=-0.49) USER MOD Single : A 16 ASN : amide:sc= 0.0727 X(o=0.073,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.312 F(o=-1.4,f=-0.31) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 100:sc= -2.65! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0.884 (180deg=0.692) USER MOD Single : A 35 TYR OH : 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 -37:sc= 1.19 USER MOD Single : A 39 CYS SG : rot 88:sc= -3.08! USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= 1.26 (180deg=-0.584) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0603 F(o=-0.91,f=-0.06) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 45:sc= -1.56! 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= -0.401 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 100:sc= 0.826 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.797 -8.711 16.659 1.00 0.00 N ATOM 2 CA SER A 1 4.894 -8.419 15.214 1.00 0.00 C ATOM 3 C SER A 1 4.648 -6.941 14.950 1.00 0.00 C ATOM 4 O SER A 1 4.130 -6.281 15.842 1.00 0.00 O ATOM 5 CB SER A 1 3.913 -9.287 14.435 1.00 0.00 C ATOM 6 OG SER A 1 4.295 -10.618 14.692 1.00 0.00 O ATOM 0 H1 SER A 1 5.744 -8.919 17.035 1.00 0.00 H new ATOM 0 H2 SER A 1 4.401 -7.886 17.154 1.00 0.00 H new ATOM 0 H3 SER A 1 4.177 -9.533 16.806 1.00 0.00 H new ATOM 0 HA SER A 1 5.902 -8.655 14.874 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.888 -9.105 14.757 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.956 -9.066 13.368 1.00 0.00 H new ATOM 0 HG SER A 1 3.695 -11.228 14.215 1.00 0.00 H new ATOM 13 N HIS A 2 5.029 -6.448 13.767 1.00 0.00 N ATOM 14 CA HIS A 2 4.844 -5.092 13.208 1.00 0.00 C ATOM 15 C HIS A 2 5.489 -5.121 11.815 1.00 0.00 C ATOM 16 O HIS A 2 4.867 -5.588 10.861 1.00 0.00 O ATOM 17 CB HIS A 2 5.363 -3.969 14.151 1.00 0.00 C ATOM 18 CG HIS A 2 6.600 -4.261 14.979 1.00 0.00 C ATOM 19 ND1 HIS A 2 6.605 -4.892 16.204 1.00 0.00 N ATOM 20 CD2 HIS A 2 7.894 -3.866 14.742 1.00 0.00 C ATOM 21 CE1 HIS A 2 7.867 -4.929 16.663 1.00 0.00 C ATOM 22 NE2 HIS A 2 8.693 -4.330 15.796 1.00 0.00 N ATOM 0 H HIS A 2 5.526 -7.044 13.105 1.00 0.00 H new ATOM 0 HA HIS A 2 3.789 -4.835 13.115 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.567 -3.088 13.543 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.556 -3.705 14.835 1.00 0.00 H new ATOM 0 HD1 HIS A 2 5.787 -5.268 16.683 1.00 0.00 H new ATOM 0 HD2 HIS A 2 8.237 -3.296 13.891 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.172 -5.377 17.597 1.00 0.00 H new ATOM 30 N MET A 3 6.798 -4.845 11.725 1.00 0.00 N ATOM 31 CA MET A 3 7.697 -5.003 10.562 1.00 0.00 C ATOM 32 C MET A 3 7.915 -6.483 10.125 1.00 0.00 C ATOM 33 O MET A 3 8.998 -6.861 9.678 1.00 0.00 O ATOM 34 CB MET A 3 9.033 -4.290 10.866 1.00 0.00 C ATOM 35 CG MET A 3 8.880 -2.776 11.107 1.00 0.00 C ATOM 36 SD MET A 3 10.359 -1.978 11.796 1.00 0.00 S ATOM 37 CE MET A 3 11.412 -1.902 10.329 1.00 0.00 C ATOM 0 H MET A 3 7.302 -4.474 12.530 1.00 0.00 H new ATOM 0 HA MET A 3 7.213 -4.538 9.704 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.487 -4.746 11.746 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.719 -4.450 10.034 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.627 -2.293 10.163 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.042 -2.610 11.785 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.363 -1.435 10.587 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.592 -2.911 9.958 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.917 -1.314 9.556 1.00 0.00 H new ATOM 47 N THR A 4 6.880 -7.318 10.257 1.00 0.00 N ATOM 48 CA THR A 4 6.886 -8.754 9.971 1.00 0.00 C ATOM 49 C THR A 4 5.994 -9.099 8.797 1.00 0.00 C ATOM 50 O THR A 4 6.495 -9.425 7.728 1.00 0.00 O ATOM 51 CB THR A 4 6.453 -9.528 11.216 1.00 0.00 C ATOM 52 OG1 THR A 4 6.939 -8.922 12.395 1.00 0.00 O ATOM 53 CG2 THR A 4 6.948 -10.962 11.142 1.00 0.00 C ATOM 0 H THR A 4 5.970 -6.993 10.583 1.00 0.00 H new ATOM 0 HA THR A 4 7.902 -9.040 9.699 1.00 0.00 H new ATOM 0 HB THR A 4 5.364 -9.518 11.248 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.931 -9.575 13.126 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.633 -11.502 12.035 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.531 -11.446 10.259 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.036 -10.969 11.079 1.00 0.00 H new ATOM 61 N ALA A 5 4.680 -8.920 8.930 1.00 0.00 N ATOM 62 CA ALA A 5 3.743 -9.270 7.872 1.00 0.00 C ATOM 63 C ALA A 5 3.718 -8.201 6.769 1.00 0.00 C ATOM 64 O ALA A 5 3.639 -8.525 5.590 1.00 0.00 O ATOM 65 CB ALA A 5 2.369 -9.467 8.510 1.00 0.00 C ATOM 0 H ALA A 5 4.242 -8.532 9.766 1.00 0.00 H new ATOM 0 HA ALA A 5 4.054 -10.194 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.645 -9.731 7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.422 -10.268 9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.059 -8.543 8.999 1.00 0.00 H new ATOM 71 N VAL A 6 3.838 -6.937 7.172 1.00 0.00 N ATOM 72 CA VAL A 6 3.983 -5.777 6.285 1.00 0.00 C ATOM 73 C VAL A 6 5.141 -5.961 5.325 1.00 0.00 C ATOM 74 O VAL A 6 5.032 -5.606 4.161 1.00 0.00 O ATOM 75 CB VAL A 6 4.125 -4.483 7.110 1.00 0.00 C ATOM 76 CG1 VAL A 6 5.509 -4.303 7.751 1.00 0.00 C ATOM 77 CG2 VAL A 6 3.790 -3.261 6.244 1.00 0.00 C ATOM 0 H VAL A 6 3.837 -6.680 8.159 1.00 0.00 H new ATOM 0 HA VAL A 6 3.080 -5.691 5.681 1.00 0.00 H new ATOM 0 HB VAL A 6 3.414 -4.572 7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.530 -3.370 8.314 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.710 -5.137 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.270 -4.273 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.894 -2.354 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.472 -3.219 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.765 -3.342 5.882 1.00 0.00 H new ATOM 87 N GLN A 7 6.242 -6.553 5.794 1.00 0.00 N ATOM 88 CA GLN A 7 7.515 -6.542 5.103 1.00 0.00 C ATOM 89 C GLN A 7 7.539 -7.600 4.003 1.00 0.00 C ATOM 90 O GLN A 7 7.693 -7.283 2.832 1.00 0.00 O ATOM 91 CB GLN A 7 8.633 -6.670 6.167 1.00 0.00 C ATOM 92 CG GLN A 7 10.032 -6.287 5.663 1.00 0.00 C ATOM 93 CD GLN A 7 10.003 -4.969 4.901 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.228 -3.997 5.324 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 10.448 -4.853 3.779 1.00 0.00 N flip ATOM 0 H GLN A 7 6.265 -7.059 6.679 1.00 0.00 H new ATOM 0 HA GLN A 7 7.684 -5.605 4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.381 -6.039 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.659 -7.698 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.716 -6.206 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.416 -7.075 5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.056 -5.576 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.214 -4.033 3.220 1.00 0.00 H new ATOM 104 N ASP A 8 7.275 -8.842 4.385 1.00 0.00 N ATOM 105 CA ASP A 8 7.016 -9.984 3.462 1.00 0.00 C ATOM 106 C ASP A 8 5.952 -9.653 2.406 1.00 0.00 C ATOM 107 O ASP A 8 6.217 -9.832 1.216 1.00 0.00 O ATOM 108 CB ASP A 8 6.589 -11.264 4.223 1.00 0.00 C ATOM 109 CG ASP A 8 6.221 -12.423 3.248 1.00 0.00 C ATOM 110 OD1 ASP A 8 7.145 -12.962 2.574 1.00 0.00 O ATOM 111 OD2 ASP A 8 5.006 -12.743 3.185 1.00 0.00 O1- ATOM 0 H ASP A 8 7.229 -9.110 5.368 1.00 0.00 H new ATOM 0 HA ASP A 8 7.965 -10.169 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.399 -11.584 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.733 -11.040 4.860 1.00 0.00 H new ATOM 116 N PHE A 9 4.809 -9.072 2.823 1.00 0.00 N ATOM 117 CA PHE A 9 3.814 -8.557 1.892 1.00 0.00 C ATOM 118 C PHE A 9 4.461 -7.527 0.952 1.00 0.00 C ATOM 119 O PHE A 9 4.343 -7.643 -0.266 1.00 0.00 O ATOM 120 CB PHE A 9 2.651 -7.903 2.658 1.00 0.00 C ATOM 121 CG PHE A 9 1.742 -7.157 1.701 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.825 -7.838 0.879 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.988 -5.791 1.480 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.174 -7.145 -0.162 1.00 0.00 C ATOM 125 CE2 PHE A 9 1.384 -5.131 0.403 1.00 0.00 C ATOM 126 CZ PHE A 9 0.447 -5.792 -0.398 1.00 0.00 C ATOM 0 H PHE A 9 4.562 -8.953 3.805 1.00 0.00 H new ATOM 0 HA PHE A 9 3.424 -9.388 1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.082 -8.666 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.042 -7.216 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.621 -8.886 1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.645 -5.248 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.542 -7.663 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.643 -4.105 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.061 -5.264 -1.191 1.00 0.00 H new ATOM 136 N VAL A 10 5.107 -6.497 1.513 1.00 0.00 N ATOM 137 CA VAL A 10 5.749 -5.411 0.743 1.00 0.00 C ATOM 138 C VAL A 10 6.692 -5.959 -0.333 1.00 0.00 C ATOM 139 O VAL A 10 6.486 -5.615 -1.487 1.00 0.00 O ATOM 140 CB VAL A 10 6.461 -4.361 1.638 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.477 -3.479 0.886 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.451 -3.402 2.298 1.00 0.00 C ATOM 0 H VAL A 10 5.203 -6.388 2.523 1.00 0.00 H new ATOM 0 HA VAL A 10 4.938 -4.883 0.242 1.00 0.00 H new ATOM 0 HB VAL A 10 6.989 -4.963 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.930 -2.772 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.253 -4.108 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.967 -2.932 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.985 -2.681 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.892 -2.874 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.760 -3.972 2.919 1.00 0.00 H new ATOM 152 N VAL A 11 7.654 -6.841 -0.023 1.00 0.00 N ATOM 153 CA VAL A 11 8.571 -7.428 -1.038 1.00 0.00 C ATOM 154 C VAL A 11 7.940 -8.290 -2.135 1.00 0.00 C ATOM 155 O VAL A 11 8.573 -8.468 -3.179 1.00 0.00 O ATOM 156 CB VAL A 11 9.861 -8.072 -0.492 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.041 -7.120 -0.716 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.823 -8.320 1.008 1.00 0.00 C ATOM 0 H VAL A 11 7.826 -7.171 0.927 1.00 0.00 H new ATOM 0 HA VAL A 11 8.871 -6.508 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 11 9.960 -9.021 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.954 -7.575 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.155 -6.926 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.855 -6.181 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.761 -8.775 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.683 -7.373 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.997 -8.990 1.245 1.00 0.00 H new ATOM 168 N ASP A 12 6.696 -8.732 -1.961 1.00 0.00 N ATOM 169 CA ASP A 12 5.923 -9.282 -3.079 1.00 0.00 C ATOM 170 C ASP A 12 5.660 -8.198 -4.146 1.00 0.00 C ATOM 171 O ASP A 12 5.868 -8.437 -5.324 1.00 0.00 O ATOM 172 CB ASP A 12 4.651 -9.962 -2.541 1.00 0.00 C ATOM 173 CG ASP A 12 4.234 -11.217 -3.319 1.00 0.00 C ATOM 174 OD1 ASP A 12 3.316 -11.920 -2.840 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.803 -11.510 -4.395 1.00 0.00 O1- ATOM 0 H ASP A 12 6.204 -8.722 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 12 6.495 -10.056 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.810 -10.231 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.831 -9.244 -2.564 1.00 0.00 H new ATOM 180 N ILE A 13 5.328 -6.964 -3.753 1.00 0.00 N ATOM 181 CA ILE A 13 5.167 -5.736 -4.576 1.00 0.00 C ATOM 182 C ILE A 13 6.536 -5.098 -4.867 1.00 0.00 C ATOM 183 O ILE A 13 6.677 -4.483 -5.913 1.00 0.00 O ATOM 184 CB ILE A 13 4.197 -4.777 -3.862 1.00 0.00 C ATOM 185 CG1 ILE A 13 2.737 -5.284 -3.768 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.092 -3.486 -4.680 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.483 -6.422 -2.789 1.00 0.00 C ATOM 0 H ILE A 13 5.147 -6.770 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 13 4.736 -5.984 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 13 4.606 -4.662 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.100 -4.444 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.422 -5.609 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.407 -2.797 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.076 -3.025 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.717 -3.717 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.427 -6.691 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.084 -7.286 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.756 -6.104 -1.783 1.00 0.00 H new ATOM 199 N LEU A 14 7.539 -5.217 -3.995 1.00 0.00 N ATOM 200 CA LEU A 14 8.775 -4.432 -4.094 1.00 0.00 C ATOM 201 C LEU A 14 9.792 -5.066 -5.057 1.00 0.00 C ATOM 202 O LEU A 14 10.282 -4.413 -5.977 1.00 0.00 O ATOM 203 CB LEU A 14 9.396 -4.239 -2.682 1.00 0.00 C ATOM 204 CG LEU A 14 9.889 -2.813 -2.368 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.784 -2.833 -1.118 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.675 -2.194 -3.525 1.00 0.00 C ATOM 0 H LEU A 14 7.520 -5.858 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 14 8.516 -3.457 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.654 -4.522 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.234 -4.927 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 14 9.002 -2.203 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.129 -1.822 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.215 -3.212 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.643 -3.479 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.998 -1.190 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.548 -2.809 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.040 -2.141 -4.409 1.00 0.00 H new ATOM 218 N LEU A 15 10.146 -6.331 -4.798 1.00 0.00 N ATOM 219 CA LEU A 15 11.183 -7.054 -5.535 1.00 0.00 C ATOM 220 C LEU A 15 10.573 -7.997 -6.543 1.00 0.00 C ATOM 221 O LEU A 15 11.019 -8.011 -7.685 1.00 0.00 O ATOM 222 CB LEU A 15 12.103 -7.848 -4.599 1.00 0.00 C ATOM 223 CG LEU A 15 13.102 -7.006 -3.788 1.00 0.00 C ATOM 224 CD1 LEU A 15 13.901 -7.912 -2.834 1.00 0.00 C ATOM 225 CD2 LEU A 15 14.099 -6.263 -4.684 1.00 0.00 C ATOM 0 H LEU A 15 9.713 -6.886 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 15 11.778 -6.302 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.484 -8.416 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.661 -8.571 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 15 12.516 -6.273 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.606 -7.308 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.216 -8.413 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.447 -8.657 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.783 -5.683 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.666 -6.984 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.558 -5.593 -5.353 1.00 0.00 H new ATOM 237 N ASN A 16 9.554 -8.782 -6.161 1.00 0.00 N ATOM 238 CA ASN A 16 8.854 -9.626 -7.136 1.00 0.00 C ATOM 239 C ASN A 16 7.915 -8.802 -8.063 1.00 0.00 C ATOM 240 O ASN A 16 7.638 -9.222 -9.183 1.00 0.00 O ATOM 241 CB ASN A 16 8.076 -10.748 -6.420 1.00 0.00 C ATOM 242 CG ASN A 16 8.975 -11.685 -5.608 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.511 -12.657 -6.132 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.149 -11.413 -4.325 1.00 0.00 N ATOM 0 H ASN A 16 9.204 -8.849 -5.205 1.00 0.00 H new ATOM 0 HA ASN A 16 9.612 -10.079 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.335 -10.301 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.529 -11.332 -7.161 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.738 -12.016 -3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.694 -10.600 -3.910 1.00 0.00 H new ATOM 251 N GLY A 17 7.556 -7.603 -7.589 1.00 0.00 N ATOM 252 CA GLY A 17 6.732 -6.595 -8.263 1.00 0.00 C ATOM 253 C GLY A 17 5.241 -6.724 -8.040 1.00 0.00 C ATOM 254 O GLY A 17 4.708 -7.786 -7.696 1.00 0.00 O ATOM 0 H GLY A 17 7.853 -7.292 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.049 -5.607 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.928 -6.646 -9.334 1.00 0.00 H new ATOM 258 N ALA A 18 4.507 -5.658 -8.286 1.00 0.00 N ATOM 259 CA ALA A 18 3.057 -5.675 -8.220 1.00 0.00 C ATOM 260 C ALA A 18 2.407 -6.757 -9.178 1.00 0.00 C ATOM 261 O ALA A 18 3.117 -7.275 -10.041 1.00 0.00 O ATOM 262 CB ALA A 18 2.634 -4.205 -8.373 1.00 0.00 C ATOM 0 H ALA A 18 4.900 -4.751 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 18 2.660 -6.036 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.547 -4.133 -8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.066 -3.616 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.988 -3.822 -9.330 1.00 0.00 H new ATOM 268 N ARG A 19 1.013 -6.766 -9.119 1.00 0.00 N ATOM 269 CA ARG A 19 0.168 -6.678 -10.360 1.00 0.00 C ATOM 270 C ARG A 19 0.524 -5.701 -11.498 1.00 0.00 C ATOM 271 O ARG A 19 1.567 -5.054 -11.489 1.00 0.00 O ATOM 272 CB ARG A 19 -1.382 -6.807 -10.152 1.00 0.00 C ATOM 273 CG ARG A 19 -1.668 -8.063 -9.229 1.00 0.00 C ATOM 274 CD ARG A 19 -0.999 -9.471 -9.341 1.00 0.00 C ATOM 275 NE ARG A 19 -0.963 -9.976 -10.710 1.00 0.00 N ATOM 276 CZ ARG A 19 -0.039 -10.732 -11.299 1.00 0.00 C ATOM 277 NH1 ARG A 19 1.054 -11.120 -10.698 1.00 0.00 N ATOM 278 NH2 ARG A 19 -0.157 -11.067 -12.573 1.00 0.00 N ATOM 0 H ARG A 19 0.481 -6.831 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 19 0.538 -7.615 -10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.778 -5.902 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.884 -6.922 -11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.472 -7.727 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.740 -8.243 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.018 -9.416 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.543 -10.177 -8.713 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.755 -9.713 -11.296 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.230 -10.844 -9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.731 -11.699 -11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.961 -10.746 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.556 -11.647 -13.016 1.00 0.00 H new ATOM 292 N ASP A 20 -0.442 -5.533 -12.396 1.00 0.00 N ATOM 293 CA ASP A 20 -0.441 -4.496 -13.405 1.00 0.00 C ATOM 294 C ASP A 20 -0.120 -2.969 -12.981 1.00 0.00 C ATOM 295 O ASP A 20 -0.096 -2.038 -13.788 1.00 0.00 O ATOM 296 CB ASP A 20 -1.764 -4.643 -14.175 1.00 0.00 C ATOM 297 CG ASP A 20 -1.633 -4.601 -15.725 1.00 0.00 C ATOM 298 OD1 ASP A 20 -1.839 -3.482 -16.314 1.00 0.00 O ATOM 299 OD2 ASP A 20 -1.294 -5.606 -16.342 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.265 -6.133 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 20 0.443 -4.672 -14.017 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.229 -5.587 -13.891 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.440 -3.847 -13.861 1.00 0.00 H new ATOM 304 N TRP A 21 0.136 -2.722 -11.682 1.00 0.00 N ATOM 305 CA TRP A 21 0.734 -1.489 -11.132 1.00 0.00 C ATOM 306 C TRP A 21 2.146 -1.165 -11.605 1.00 0.00 C ATOM 307 O TRP A 21 2.883 -2.035 -12.078 1.00 0.00 O ATOM 308 CB TRP A 21 0.717 -1.457 -9.577 1.00 0.00 C ATOM 309 CG TRP A 21 -0.582 -1.758 -8.890 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.467 -2.755 -9.142 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.210 -0.956 -7.850 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.617 -2.548 -8.409 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.520 -1.434 -7.623 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.844 0.225 -7.189 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.410 -0.755 -6.801 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.754 0.970 -6.427 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.039 0.471 -6.239 1.00 0.00 C ATOM 0 H TRP A 21 -0.077 -3.405 -10.955 1.00 0.00 H new ATOM 0 HA TRP A 21 0.080 -0.718 -11.538 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.460 -2.170 -9.218 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.044 -0.468 -9.258 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.297 -3.584 -9.814 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.438 -3.152 -8.449 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.175 0.573 -7.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.385 -1.172 -6.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.463 1.915 -5.993 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.754 1.033 -5.656 1.00 0.00 H new ATOM 328 N ASP A 22 2.552 0.071 -11.332 1.00 0.00 N ATOM 329 CA ASP A 22 3.946 0.474 -11.171 1.00 0.00 C ATOM 330 C ASP A 22 4.434 -0.046 -9.823 1.00 0.00 C ATOM 331 O ASP A 22 3.632 -0.303 -8.935 1.00 0.00 O ATOM 332 CB ASP A 22 4.126 2.010 -11.212 1.00 0.00 C ATOM 333 CG ASP A 22 4.395 2.584 -12.600 1.00 0.00 C ATOM 334 OD1 ASP A 22 3.730 3.591 -12.953 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.338 2.075 -13.246 1.00 0.00 O1- ATOM 0 H ASP A 22 1.899 0.845 -11.213 1.00 0.00 H new ATOM 0 HA ASP A 22 4.520 0.058 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.228 2.478 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.951 2.283 -10.555 1.00 0.00 H new ATOM 340 N VAL A 23 5.749 -0.135 -9.656 1.00 0.00 N ATOM 341 CA VAL A 23 6.409 -0.335 -8.377 1.00 0.00 C ATOM 342 C VAL A 23 7.116 0.979 -8.162 1.00 0.00 C ATOM 343 O VAL A 23 8.081 1.292 -8.858 1.00 0.00 O ATOM 344 CB VAL A 23 7.365 -1.545 -8.403 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.133 -1.686 -7.081 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.593 -2.836 -8.708 1.00 0.00 C ATOM 0 H VAL A 23 6.404 -0.067 -10.435 1.00 0.00 H new ATOM 0 HA VAL A 23 5.725 -0.577 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 23 8.092 -1.372 -9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.797 -2.549 -7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.722 -0.786 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.426 -1.823 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.284 -3.679 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.838 -2.999 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.108 -2.749 -9.680 1.00 0.00 H new ATOM 356 N LEU A 24 6.572 1.775 -7.255 1.00 0.00 N ATOM 357 CA LEU A 24 7.114 3.088 -6.943 1.00 0.00 C ATOM 358 C LEU A 24 7.593 3.127 -5.500 1.00 0.00 C ATOM 359 O LEU A 24 6.941 2.611 -4.603 1.00 0.00 O ATOM 360 CB LEU A 24 6.037 4.166 -7.146 1.00 0.00 C ATOM 361 CG LEU A 24 6.383 5.430 -7.945 1.00 0.00 C ATOM 362 CD1 LEU A 24 7.614 6.124 -7.379 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.578 5.114 -9.434 1.00 0.00 C ATOM 0 H LEU A 24 5.743 1.529 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 24 7.954 3.283 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.186 3.692 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.701 4.484 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 24 5.538 6.112 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.832 7.015 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.427 6.409 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.466 5.445 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.822 6.030 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.391 4.398 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.660 4.689 -9.839 1.00 0.00 H new ATOM 375 N GLN A 25 8.661 3.865 -5.247 1.00 0.00 N ATOM 376 CA GLN A 25 8.953 4.316 -3.900 1.00 0.00 C ATOM 377 C GLN A 25 8.962 5.823 -3.798 1.00 0.00 C ATOM 378 O GLN A 25 9.976 6.516 -3.843 1.00 0.00 O ATOM 379 CB GLN A 25 10.216 3.669 -3.377 1.00 0.00 C ATOM 380 CG GLN A 25 9.892 2.221 -3.030 1.00 0.00 C ATOM 381 CD GLN A 25 10.235 1.249 -4.140 1.00 0.00 C ATOM 382 OE1 GLN A 25 9.275 0.535 -4.698 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 11.384 1.105 -4.530 1.00 0.00 N flip ATOM 0 H GLN A 25 9.335 4.162 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 25 8.144 3.988 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.006 3.714 -4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.580 4.200 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.437 1.940 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.830 2.139 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.137 1.649 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.590 0.441 -5.276 1.00 0.00 H new ATOM 392 N THR A 26 7.745 6.286 -3.575 1.00 0.00 N ATOM 393 CA THR A 26 7.388 7.651 -3.201 1.00 0.00 C ATOM 394 C THR A 26 6.591 7.622 -1.889 1.00 0.00 C ATOM 395 O THR A 26 6.435 6.554 -1.294 1.00 0.00 O ATOM 396 CB THR A 26 6.770 8.398 -4.396 1.00 0.00 C ATOM 397 OG1 THR A 26 6.687 9.751 -4.023 1.00 0.00 O ATOM 398 CG2 THR A 26 5.402 7.880 -4.846 1.00 0.00 C ATOM 0 H THR A 26 6.925 5.684 -3.654 1.00 0.00 H new ATOM 0 HA THR A 26 8.264 8.258 -2.970 1.00 0.00 H new ATOM 0 HB THR A 26 7.410 8.237 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.298 10.270 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.050 8.470 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.488 6.835 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.692 7.966 -4.024 1.00 0.00 H new ATOM 406 N THR A 27 6.117 8.749 -1.377 1.00 0.00 N ATOM 407 CA THR A 27 5.317 8.845 -0.156 1.00 0.00 C ATOM 408 C THR A 27 4.096 9.687 -0.514 1.00 0.00 C ATOM 409 O THR A 27 4.007 10.309 -1.571 1.00 0.00 O ATOM 410 CB THR A 27 6.116 9.427 1.026 1.00 0.00 C ATOM 411 OG1 THR A 27 6.651 10.684 0.691 1.00 0.00 O ATOM 412 CG2 THR A 27 7.273 8.509 1.455 1.00 0.00 C ATOM 0 H THR A 27 6.283 9.656 -1.813 1.00 0.00 H new ATOM 0 HA THR A 27 5.014 7.857 0.190 1.00 0.00 H new ATOM 0 HB THR A 27 5.415 9.519 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.154 11.039 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.806 8.962 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.876 7.541 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.958 8.372 0.619 1.00 0.00 H new ATOM 420 N CYS A 28 3.118 9.614 0.361 1.00 0.00 N ATOM 421 CA CYS A 28 1.874 10.356 0.313 1.00 0.00 C ATOM 422 C CYS A 28 1.481 10.880 1.681 1.00 0.00 C ATOM 423 O CYS A 28 1.846 10.280 2.688 1.00 0.00 O ATOM 424 CB CYS A 28 0.836 9.376 -0.188 1.00 0.00 C ATOM 425 SG CYS A 28 -0.859 9.962 -0.036 1.00 0.00 S ATOM 0 H CYS A 28 3.171 9.000 1.173 1.00 0.00 H new ATOM 0 HA CYS A 28 1.967 11.228 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.039 9.151 -1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.937 8.442 0.364 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.267 10.412 -1.185 1.00 0.00 H new ATOM 431 N THR A 29 0.675 11.945 1.727 1.00 0.00 N ATOM 432 CA THR A 29 0.233 12.557 2.978 1.00 0.00 C ATOM 433 C THR A 29 -1.282 12.705 3.059 1.00 0.00 C ATOM 434 O THR A 29 -1.867 13.455 2.284 1.00 0.00 O ATOM 435 CB THR A 29 0.888 13.940 3.188 1.00 0.00 C ATOM 436 OG1 THR A 29 2.230 13.954 2.763 1.00 0.00 O ATOM 437 CG2 THR A 29 0.833 14.404 4.642 1.00 0.00 C ATOM 0 H THR A 29 0.311 12.406 0.893 1.00 0.00 H new ATOM 0 HA THR A 29 0.550 11.877 3.769 1.00 0.00 H new ATOM 0 HB THR A 29 0.303 14.629 2.579 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.610 14.845 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.308 15.381 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.206 14.475 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.358 13.687 5.273 1.00 0.00 H new ATOM 445 N VAL A 30 -1.881 12.043 4.052 1.00 0.00 N ATOM 446 CA VAL A 30 -3.350 12.007 4.352 1.00 0.00 C ATOM 447 C VAL A 30 -3.663 11.667 5.844 1.00 0.00 C ATOM 448 O VAL A 30 -2.888 10.986 6.505 1.00 0.00 O ATOM 449 CB VAL A 30 -4.095 11.030 3.387 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.618 11.084 3.589 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.891 11.309 1.886 1.00 0.00 C ATOM 0 H VAL A 30 -1.344 11.483 4.714 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.723 13.017 4.182 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.658 10.065 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.101 10.391 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.859 10.804 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.975 12.096 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.448 10.577 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.249 12.311 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.831 11.236 1.643 1.00 0.00 H new ATOM 461 N ASP A 31 -4.765 12.180 6.422 1.00 0.00 N ATOM 462 CA ASP A 31 -5.261 12.004 7.813 1.00 0.00 C ATOM 463 C ASP A 31 -4.450 12.784 8.860 1.00 0.00 C ATOM 464 O ASP A 31 -4.585 12.565 10.067 1.00 0.00 O ATOM 465 CB ASP A 31 -5.325 10.514 8.216 1.00 0.00 C ATOM 466 CG ASP A 31 -6.591 10.167 9.033 1.00 0.00 C ATOM 467 OD1 ASP A 31 -6.465 9.456 10.064 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.689 10.647 8.666 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.391 12.782 5.887 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.268 12.420 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.298 9.898 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.440 10.262 8.801 1.00 0.00 H new ATOM 473 N ARG A 32 -3.681 13.752 8.362 1.00 0.00 N ATOM 474 CA ARG A 32 -2.582 14.415 9.086 1.00 0.00 C ATOM 475 C ARG A 32 -1.471 13.396 9.418 1.00 0.00 C ATOM 476 O ARG A 32 -0.840 13.454 10.468 1.00 0.00 O ATOM 477 CB ARG A 32 -3.077 15.175 10.338 1.00 0.00 C ATOM 478 CG ARG A 32 -4.253 16.133 10.067 1.00 0.00 C ATOM 479 CD ARG A 32 -4.801 16.783 11.351 1.00 0.00 C ATOM 480 NE ARG A 32 -5.430 15.771 12.228 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.226 15.993 13.279 1.00 0.00 C ATOM 482 NH1 ARG A 32 -6.735 17.203 13.526 1.00 0.00 N ATOM 483 NH2 ARG A 32 -6.697 14.967 13.974 1.00 0.00 N ATOM 0 H ARG A 32 -3.804 14.112 7.416 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.157 15.175 8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.379 14.450 11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.247 15.745 10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.928 16.914 9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.055 15.586 9.572 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.992 17.281 11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.531 17.550 11.092 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.235 14.795 12.006 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.519 17.983 12.906 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.340 17.346 14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.452 14.014 13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.305 15.131 14.777 1.00 0.00 H new ATOM 497 N LYS A 33 -1.254 12.422 8.529 1.00 0.00 N ATOM 498 CA LYS A 33 -0.234 11.391 8.594 1.00 0.00 C ATOM 499 C LYS A 33 0.362 11.278 7.180 1.00 0.00 C ATOM 500 O LYS A 33 -0.230 11.703 6.188 1.00 0.00 O ATOM 501 CB LYS A 33 -0.873 10.085 9.114 1.00 0.00 C ATOM 502 CG LYS A 33 0.118 8.920 9.243 1.00 0.00 C ATOM 503 CD LYS A 33 -0.057 8.074 10.523 1.00 0.00 C ATOM 504 CE LYS A 33 -0.404 6.649 10.124 1.00 0.00 C ATOM 505 NZ LYS A 33 -0.747 5.782 11.273 1.00 0.00 N ATOM 0 H LYS A 33 -1.829 12.334 7.691 1.00 0.00 H new ATOM 0 HA LYS A 33 0.574 11.623 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.325 10.275 10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.678 9.792 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.011 8.270 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.133 9.318 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.859 8.088 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.845 8.494 11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.244 6.669 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.440 6.214 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.740 4.787 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.049 5.918 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.693 6.031 11.625 1.00 0.00 H new ATOM 519 N VAL A 34 1.578 10.777 7.101 1.00 0.00 N ATOM 520 CA VAL A 34 2.215 10.366 5.859 1.00 0.00 C ATOM 521 C VAL A 34 2.177 8.847 5.839 1.00 0.00 C ATOM 522 O VAL A 34 2.264 8.201 6.883 1.00 0.00 O ATOM 523 CB VAL A 34 3.663 10.868 5.819 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.586 10.244 4.752 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.761 12.396 5.722 1.00 0.00 C ATOM 0 H VAL A 34 2.170 10.639 7.920 1.00 0.00 H new ATOM 0 HA VAL A 34 1.702 10.781 4.992 1.00 0.00 H new ATOM 0 HB VAL A 34 4.036 10.519 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.580 10.684 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.652 9.168 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.179 10.439 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.810 12.692 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.266 12.735 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.277 12.847 6.588 1.00 0.00 H new ATOM 535 N TYR A 35 2.073 8.312 4.636 1.00 0.00 N ATOM 536 CA TYR A 35 2.258 6.910 4.330 1.00 0.00 C ATOM 537 C TYR A 35 3.243 6.795 3.188 1.00 0.00 C ATOM 538 O TYR A 35 3.317 7.646 2.303 1.00 0.00 O ATOM 539 CB TYR A 35 0.941 6.284 3.909 1.00 0.00 C ATOM 540 CG TYR A 35 -0.160 6.552 4.882 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.299 5.700 5.989 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.960 7.699 4.715 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.318 5.968 6.919 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.944 7.990 5.678 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.130 7.117 6.782 1.00 0.00 C ATOM 546 OH TYR A 35 -3.057 7.400 7.740 1.00 0.00 O ATOM 0 H TYR A 35 1.847 8.869 3.812 1.00 0.00 H new ATOM 0 HA TYR A 35 2.629 6.392 5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.657 6.669 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.073 5.207 3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.363 4.857 6.123 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.820 8.345 3.861 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.482 5.291 7.744 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.556 8.874 5.578 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.533 8.222 7.501 1.00 0.00 H new ATOM 556 N LYS A 36 3.987 5.701 3.178 1.00 0.00 N ATOM 557 CA LYS A 36 5.012 5.464 2.184 1.00 0.00 C ATOM 558 C LYS A 36 4.499 4.468 1.151 1.00 0.00 C ATOM 559 O LYS A 36 3.922 3.456 1.539 1.00 0.00 O ATOM 560 CB LYS A 36 6.266 4.960 2.884 1.00 0.00 C ATOM 561 CG LYS A 36 6.733 5.671 4.169 1.00 0.00 C ATOM 562 CD LYS A 36 7.748 4.836 4.973 1.00 0.00 C ATOM 563 CE LYS A 36 8.935 4.331 4.136 1.00 0.00 C ATOM 564 NZ LYS A 36 10.051 3.859 4.998 1.00 0.00 N ATOM 0 H LYS A 36 3.894 4.951 3.863 1.00 0.00 H new ATOM 0 HA LYS A 36 5.260 6.386 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.109 3.909 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.085 5.003 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.183 6.629 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.868 5.886 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.127 5.438 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.235 3.981 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.605 3.518 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.290 5.131 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.834 3.526 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.382 4.642 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.719 3.079 5.600 1.00 0.00 H new ATOM 578 N THR A 37 4.646 4.789 -0.134 1.00 0.00 N ATOM 579 CA THR A 37 4.018 4.098 -1.252 1.00 0.00 C ATOM 580 C THR A 37 4.885 2.908 -1.642 1.00 0.00 C ATOM 581 O THR A 37 6.094 2.922 -1.420 1.00 0.00 O ATOM 582 CB THR A 37 3.762 5.000 -2.473 1.00 0.00 C ATOM 583 OG1 THR A 37 4.980 5.274 -3.105 1.00 0.00 O ATOM 584 CG2 THR A 37 3.119 6.346 -2.129 1.00 0.00 C ATOM 0 H THR A 37 5.230 5.570 -0.433 1.00 0.00 H new ATOM 0 HA THR A 37 3.034 3.769 -0.920 1.00 0.00 H new ATOM 0 HB THR A 37 3.069 4.450 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.681 5.388 -2.429 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.971 6.923 -3.042 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.156 6.177 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.771 6.898 -1.453 1.00 0.00 H new ATOM 592 N ILE A 38 4.271 1.902 -2.249 1.00 0.00 N ATOM 593 CA ILE A 38 4.990 0.760 -2.849 1.00 0.00 C ATOM 594 C ILE A 38 4.826 0.689 -4.354 1.00 0.00 C ATOM 595 O ILE A 38 5.667 0.178 -5.089 1.00 0.00 O ATOM 596 CB ILE A 38 4.436 -0.590 -2.347 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.892 -0.507 -0.899 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.647 -1.559 -2.388 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.494 -1.876 -0.333 1.00 0.00 C ATOM 0 H ILE A 38 3.257 1.844 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 38 6.030 0.922 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 38 3.599 -0.913 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.650 -0.060 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.026 0.155 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.335 -2.545 -2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.020 -1.632 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.437 -1.182 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.120 -1.755 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.715 -2.315 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.364 -2.533 -0.324 1.00 0.00 H new ATOM 611 N CYS A 39 3.658 1.112 -4.800 1.00 0.00 N ATOM 612 CA CYS A 39 3.180 0.852 -6.128 1.00 0.00 C ATOM 613 C CYS A 39 2.105 1.823 -6.440 1.00 0.00 C ATOM 614 O CYS A 39 1.335 2.236 -5.565 1.00 0.00 O ATOM 615 CB CYS A 39 2.702 -0.592 -6.238 1.00 0.00 C ATOM 616 SG CYS A 39 1.611 -1.201 -4.937 1.00 0.00 S ATOM 0 H CYS A 39 3.009 1.656 -4.231 1.00 0.00 H new ATOM 0 HA CYS A 39 3.981 0.977 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.186 -0.705 -7.192 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.580 -1.237 -6.272 1.00 0.00 H new ATOM 0 HG CYS A 39 0.377 -0.928 -5.242 1.00 0.00 H new ATOM 622 N LYS A 40 2.065 2.171 -7.715 1.00 0.00 N ATOM 623 CA LYS A 40 1.094 3.067 -8.235 1.00 0.00 C ATOM 624 C LYS A 40 0.307 2.493 -9.391 1.00 0.00 C ATOM 625 O LYS A 40 0.897 1.979 -10.319 1.00 0.00 O ATOM 626 CB LYS A 40 1.887 4.304 -8.646 1.00 0.00 C ATOM 627 CG LYS A 40 1.018 5.461 -9.096 1.00 0.00 C ATOM 628 CD LYS A 40 1.718 6.303 -10.176 1.00 0.00 C ATOM 629 CE LYS A 40 1.532 5.623 -11.547 1.00 0.00 C ATOM 630 NZ LYS A 40 2.581 6.005 -12.523 1.00 0.00 N ATOM 0 H LYS A 40 2.723 1.824 -8.413 1.00 0.00 H new ATOM 0 HA LYS A 40 0.331 3.290 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.501 4.627 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.568 4.037 -9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.074 5.079 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.778 6.092 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.301 7.310 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.779 6.402 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.541 4.541 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.554 5.887 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.142 6.204 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.077 6.854 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.261 5.225 -12.625 1.00 0.00 H new ATOM 644 N ARG A 41 -1.006 2.633 -9.377 1.00 0.00 N ATOM 645 CA ARG A 41 -1.796 2.289 -10.540 1.00 0.00 C ATOM 646 C ARG A 41 -2.849 3.336 -10.686 1.00 0.00 C ATOM 647 O ARG A 41 -3.677 3.615 -9.833 1.00 0.00 O ATOM 648 CB ARG A 41 -2.393 0.911 -10.424 1.00 0.00 C ATOM 649 CG ARG A 41 -2.921 0.432 -11.775 1.00 0.00 C ATOM 650 CD ARG A 41 -3.794 -0.777 -11.453 1.00 0.00 C ATOM 651 NE ARG A 41 -4.233 -1.559 -12.622 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.390 -2.222 -12.711 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.271 -2.315 -11.730 1.00 0.00 N ATOM 654 NH2 ARG A 41 -5.683 -2.868 -13.816 1.00 0.00 N ATOM 0 H ARG A 41 -1.542 2.979 -8.581 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.165 2.261 -11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.641 0.214 -10.055 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.203 0.921 -9.695 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.496 1.213 -12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.104 0.162 -12.444 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.243 -1.435 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.676 -0.435 -10.912 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.606 -1.597 -13.425 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.087 -1.863 -10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.135 -2.839 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.029 -2.862 -14.599 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.564 -3.376 -13.891 1.00 0.00 H new ATOM 668 N GLY A 42 -2.787 4.010 -11.812 1.00 0.00 N ATOM 669 CA GLY A 42 -3.649 5.159 -12.061 1.00 0.00 C ATOM 670 C GLY A 42 -3.364 6.284 -11.065 1.00 0.00 C ATOM 671 O GLY A 42 -2.201 6.584 -10.799 1.00 0.00 O ATOM 0 H GLY A 42 -2.149 3.787 -12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.494 5.521 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.694 4.858 -11.985 1.00 0.00 H new ATOM 675 N ASN A 43 -4.445 6.820 -10.501 1.00 0.00 N ATOM 676 CA ASN A 43 -4.380 7.799 -9.410 1.00 0.00 C ATOM 677 C ASN A 43 -4.198 7.163 -8.028 1.00 0.00 C ATOM 678 O ASN A 43 -4.183 7.905 -7.047 1.00 0.00 O ATOM 679 CB ASN A 43 -5.588 8.750 -9.499 1.00 0.00 C ATOM 680 CG ASN A 43 -6.930 8.291 -8.925 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.138 7.020 -8.629 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -7.838 9.098 -8.783 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.396 6.588 -10.787 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.474 8.392 -9.538 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.315 9.679 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.743 8.989 -10.551 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.687 10.081 -9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.747 8.788 -8.439 1.00 0.00 H new ATOM 689 N THR A 44 -4.080 5.824 -7.936 1.00 0.00 N ATOM 690 CA THR A 44 -3.841 5.146 -6.658 1.00 0.00 C ATOM 691 C THR A 44 -2.365 4.844 -6.483 1.00 0.00 C ATOM 692 O THR A 44 -1.615 4.671 -7.437 1.00 0.00 O ATOM 693 CB THR A 44 -4.794 3.972 -6.404 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.479 3.378 -5.172 1.00 0.00 O ATOM 695 CG2 THR A 44 -4.897 2.848 -7.417 1.00 0.00 C ATOM 0 H THR A 44 -4.147 5.195 -8.736 1.00 0.00 H new ATOM 0 HA THR A 44 -4.099 5.832 -5.851 1.00 0.00 H new ATOM 0 HB THR A 44 -5.763 4.468 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.153 2.701 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.618 2.109 -7.068 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.224 3.251 -8.375 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.922 2.375 -7.536 1.00 0.00 H new ATOM 703 N TYR A 45 -1.986 4.765 -5.214 1.00 0.00 N ATOM 704 CA TYR A 45 -0.687 4.668 -4.594 1.00 0.00 C ATOM 705 C TYR A 45 -0.984 3.861 -3.338 1.00 0.00 C ATOM 706 O TYR A 45 -1.682 4.291 -2.412 1.00 0.00 O ATOM 707 CB TYR A 45 -0.123 6.029 -4.175 1.00 0.00 C ATOM 708 CG TYR A 45 0.369 6.877 -5.321 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.743 6.966 -5.614 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.565 7.574 -6.103 1.00 0.00 C ATOM 711 CE1 TYR A 45 2.193 7.789 -6.663 1.00 0.00 C ATOM 712 CE2 TYR A 45 -0.129 8.398 -7.156 1.00 0.00 C ATOM 713 CZ TYR A 45 1.256 8.538 -7.418 1.00 0.00 C ATOM 714 OH TYR A 45 1.681 9.334 -8.441 1.00 0.00 O ATOM 0 H TYR A 45 -2.706 4.769 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 45 0.050 4.237 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.895 6.579 -3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.699 5.869 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.455 6.400 -5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.621 7.477 -5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.247 7.850 -6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.850 8.924 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 45 0.910 9.776 -8.854 1.00 0.00 H new ATOM 724 N LEU A 46 -0.536 2.619 -3.359 1.00 0.00 N ATOM 725 CA LEU A 46 -0.684 1.728 -2.236 1.00 0.00 C ATOM 726 C LEU A 46 0.397 2.102 -1.224 1.00 0.00 C ATOM 727 O LEU A 46 1.563 2.193 -1.612 1.00 0.00 O ATOM 728 CB LEU A 46 -0.441 0.324 -2.735 1.00 0.00 C ATOM 729 CG LEU A 46 -1.010 -0.689 -1.730 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.478 -0.998 -2.066 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.095 -1.892 -1.731 1.00 0.00 C ATOM 0 H LEU A 46 -0.059 2.204 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.672 1.796 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.911 0.188 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.627 0.156 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.034 -0.296 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.872 -1.717 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.063 -0.080 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.541 -1.417 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.469 -2.635 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.063 -2.324 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.909 -1.586 -1.436 1.00 0.00 H new ATOM 743 N CYS A 47 0.042 2.280 0.048 1.00 0.00 N ATOM 744 CA CYS A 47 0.987 2.661 1.095 1.00 0.00 C ATOM 745 C CYS A 47 0.822 1.795 2.346 1.00 0.00 C ATOM 746 O CYS A 47 -0.141 1.036 2.440 1.00 0.00 O ATOM 747 CB CYS A 47 0.794 4.146 1.443 1.00 0.00 C ATOM 748 SG CYS A 47 0.482 5.218 0.014 1.00 0.00 S ATOM 0 H CYS A 47 -0.915 2.163 0.382 1.00 0.00 H new ATOM 0 HA CYS A 47 1.998 2.501 0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.040 4.238 2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.683 4.503 1.962 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.395 4.658 -0.765 1.00 0.00 H new ATOM 754 N PHE A 48 1.727 1.931 3.311 1.00 0.00 N ATOM 755 CA PHE A 48 1.753 1.082 4.498 1.00 0.00 C ATOM 756 C PHE A 48 2.122 1.862 5.768 1.00 0.00 C ATOM 757 O PHE A 48 2.767 2.907 5.693 1.00 0.00 O ATOM 758 CB PHE A 48 2.697 -0.097 4.249 1.00 0.00 C ATOM 759 CG PHE A 48 4.159 0.260 4.197 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.773 0.583 2.976 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.910 0.257 5.380 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.149 0.867 2.930 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.280 0.556 5.343 1.00 0.00 C ATOM 764 CZ PHE A 48 6.914 0.827 4.114 1.00 0.00 C ATOM 0 H PHE A 48 2.465 2.635 3.292 1.00 0.00 H new ATOM 0 HA PHE A 48 0.748 0.699 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.546 -0.836 5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.420 -0.572 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.186 0.613 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.434 0.024 6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.619 1.115 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.851 0.579 6.260 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.979 1.003 4.079 1.00 0.00 H new ATOM 774 N ASP A 49 1.719 1.346 6.938 1.00 0.00 N ATOM 775 CA ASP A 49 2.363 1.663 8.238 1.00 0.00 C ATOM 776 C ASP A 49 2.913 0.374 8.884 1.00 0.00 C ATOM 777 O ASP A 49 2.948 -0.677 8.250 1.00 0.00 O ATOM 778 CB ASP A 49 1.340 2.206 9.252 1.00 0.00 C ATOM 779 CG ASP A 49 0.702 3.556 9.002 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.455 3.680 9.480 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.432 4.507 8.638 1.00 0.00 O1- ATOM 0 H ASP A 49 0.937 0.696 7.019 1.00 0.00 H new ATOM 0 HA ASP A 49 3.143 2.395 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.537 1.473 9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.832 2.250 10.224 1.00 0.00 H new ATOM 786 N ASP A 50 3.183 0.429 10.200 1.00 0.00 N ATOM 787 CA ASP A 50 3.419 -0.734 11.042 1.00 0.00 C ATOM 788 C ASP A 50 2.260 -1.714 11.102 1.00 0.00 C ATOM 789 O ASP A 50 2.410 -2.880 11.456 1.00 0.00 O ATOM 790 CB ASP A 50 3.694 -0.318 12.488 1.00 0.00 C ATOM 791 CG ASP A 50 5.151 -0.162 12.839 1.00 0.00 C ATOM 792 OD1 ASP A 50 5.996 -0.839 12.230 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.441 0.581 13.796 1.00 0.00 O1- ATOM 0 H ASP A 50 3.242 1.310 10.710 1.00 0.00 H new ATOM 0 HA ASP A 50 4.274 -1.223 10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.186 0.627 12.681 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.253 -1.060 13.154 1.00 0.00 H new ATOM 798 N THR A 51 1.068 -1.170 10.901 1.00 0.00 N ATOM 799 CA THR A 51 -0.165 -1.648 11.520 1.00 0.00 C ATOM 800 C THR A 51 -1.003 -2.442 10.543 1.00 0.00 C ATOM 801 O THR A 51 -1.788 -3.297 10.952 1.00 0.00 O ATOM 802 CB THR A 51 -1.000 -0.446 12.002 1.00 0.00 C ATOM 803 OG1 THR A 51 -0.264 0.748 12.090 1.00 0.00 O ATOM 804 CG2 THR A 51 -1.538 -0.732 13.389 1.00 0.00 C ATOM 0 H THR A 51 0.926 -0.366 10.290 1.00 0.00 H new ATOM 0 HA THR A 51 0.113 -2.291 12.355 1.00 0.00 H new ATOM 0 HB THR A 51 -1.790 -0.313 11.262 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.849 1.471 12.399 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.129 0.117 13.732 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.166 -1.623 13.359 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.707 -0.896 14.075 1.00 0.00 H new ATOM 812 N ASN A 52 -0.834 -2.146 9.247 1.00 0.00 N ATOM 813 CA ASN A 52 -1.682 -2.433 8.123 1.00 0.00 C ATOM 814 C ASN A 52 -1.289 -1.541 6.932 1.00 0.00 C ATOM 815 O ASN A 52 -0.431 -0.664 7.039 1.00 0.00 O ATOM 816 CB ASN A 52 -3.172 -2.348 8.440 1.00 0.00 C ATOM 817 CG ASN A 52 -3.618 -1.043 9.098 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.936 -0.971 10.276 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.705 -0.008 8.315 1.00 0.00 N ATOM 0 H ASN A 52 0.001 -1.643 8.947 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.518 -3.476 7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.733 -2.482 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.437 -3.177 9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.043 0.882 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.435 -0.086 7.334 1.00 0.00 H new ATOM 826 N LEU A 53 -1.943 -1.765 5.799 1.00 0.00 N ATOM 827 CA LEU A 53 -1.795 -0.926 4.623 1.00 0.00 C ATOM 828 C LEU A 53 -2.934 0.068 4.490 1.00 0.00 C ATOM 829 O LEU A 53 -3.960 -0.042 5.168 1.00 0.00 O ATOM 830 CB LEU A 53 -1.637 -1.829 3.401 1.00 0.00 C ATOM 831 CG LEU A 53 -0.152 -2.130 3.216 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.377 -3.073 4.278 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.092 -2.813 1.905 1.00 0.00 C ATOM 0 H LEU A 53 -2.594 -2.540 5.673 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.899 -0.312 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.198 -2.754 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.039 -1.340 2.513 1.00 0.00 H new ATOM 0 HG LEU A 53 0.353 -1.166 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.437 -3.258 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.243 -2.625 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.168 -4.016 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.157 -3.018 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.463 -3.751 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.240 -2.168 1.091 1.00 0.00 H new ATOM 845 N TYR A 54 -2.771 0.988 3.543 1.00 0.00 N ATOM 846 CA TYR A 54 -3.804 1.921 3.124 1.00 0.00 C ATOM 847 C TYR A 54 -3.653 2.187 1.625 1.00 0.00 C ATOM 848 O TYR A 54 -2.541 2.455 1.165 1.00 0.00 O ATOM 849 CB TYR A 54 -3.772 3.250 3.902 1.00 0.00 C ATOM 850 CG TYR A 54 -3.539 3.157 5.399 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.569 3.533 6.272 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.325 2.670 5.929 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.397 3.449 7.661 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.186 2.470 7.312 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.201 2.924 8.187 1.00 0.00 C ATOM 856 OH TYR A 54 -3.049 2.814 9.531 1.00 0.00 O ATOM 0 H TYR A 54 -1.894 1.105 3.035 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.769 1.462 3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.989 3.876 3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.718 3.765 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.505 3.891 5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.499 2.450 5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.179 3.786 8.325 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.311 1.973 7.705 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.146 3.100 9.783 1.00 0.00 H new ATOM 866 N ALA A 55 -4.734 2.152 0.846 1.00 0.00 N ATOM 867 CA ALA A 55 -4.672 2.791 -0.466 1.00 0.00 C ATOM 868 C ALA A 55 -4.980 4.266 -0.263 1.00 0.00 C ATOM 869 O ALA A 55 -5.937 4.603 0.428 1.00 0.00 O ATOM 870 CB ALA A 55 -5.643 2.101 -1.430 1.00 0.00 C ATOM 0 H ALA A 55 -5.622 1.711 1.084 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.685 2.698 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.591 2.583 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.372 1.050 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.658 2.178 -1.041 1.00 0.00 H new ATOM 876 N ILE A 56 -4.166 5.142 -0.846 1.00 0.00 N ATOM 877 CA ILE A 56 -4.579 6.522 -1.047 1.00 0.00 C ATOM 878 C ILE A 56 -4.963 6.655 -2.519 1.00 0.00 C ATOM 879 O ILE A 56 -4.121 6.544 -3.414 1.00 0.00 O ATOM 880 CB ILE A 56 -3.543 7.531 -0.535 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.530 7.602 1.017 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.960 8.924 -1.053 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.682 6.556 1.754 1.00 0.00 C ATOM 0 H ILE A 56 -3.229 4.922 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.450 6.773 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.556 7.225 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.177 8.591 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.558 7.514 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.244 9.670 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.979 8.916 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.952 9.171 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.760 6.717 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.043 5.557 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.640 6.651 1.448 1.00 0.00 H new ATOM 895 N THR A 57 -6.260 6.860 -2.752 1.00 0.00 N ATOM 896 CA THR A 57 -6.843 6.980 -4.090 1.00 0.00 C ATOM 897 C THR A 57 -7.134 8.458 -4.299 1.00 0.00 C ATOM 898 O THR A 57 -8.110 8.999 -3.778 1.00 0.00 O ATOM 899 CB THR A 57 -8.067 6.075 -4.238 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.649 4.785 -3.868 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.559 5.998 -5.681 1.00 0.00 C ATOM 0 H THR A 57 -6.947 6.949 -2.004 1.00 0.00 H new ATOM 0 HA THR A 57 -6.162 6.638 -4.869 1.00 0.00 H new ATOM 0 HB THR A 57 -8.878 6.469 -3.626 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.402 4.163 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.429 5.344 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.833 6.995 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.767 5.600 -6.315 1.00 0.00 H new ATOM 909 N GLY A 58 -6.167 9.144 -4.930 1.00 0.00 N ATOM 910 CA GLY A 58 -6.047 10.615 -4.927 1.00 0.00 C ATOM 911 C GLY A 58 -5.641 11.154 -3.543 1.00 0.00 C ATOM 912 O GLY A 58 -4.519 11.619 -3.358 1.00 0.00 O ATOM 0 H GLY A 58 -5.432 8.685 -5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.307 10.921 -5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.998 11.058 -5.225 1.00 0.00 H new ATOM 916 N ASP A 59 -6.582 11.063 -2.599 1.00 0.00 N ATOM 917 CA ASP A 59 -6.614 11.762 -1.319 1.00 0.00 C ATOM 918 C ASP A 59 -7.552 11.036 -0.340 1.00 0.00 C ATOM 919 O ASP A 59 -7.821 11.496 0.755 1.00 0.00 O ATOM 920 CB ASP A 59 -7.010 13.221 -1.576 1.00 0.00 C ATOM 921 CG ASP A 59 -7.981 13.378 -2.751 1.00 0.00 C ATOM 922 OD1 ASP A 59 -8.982 12.633 -2.813 1.00 0.00 O ATOM 923 OD2 ASP A 59 -7.694 14.242 -3.620 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.394 10.458 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.632 11.762 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.467 13.632 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.112 13.807 -1.773 1.00 0.00 H new ATOM 928 N VAL A 60 -8.045 9.866 -0.739 1.00 0.00 N ATOM 929 CA VAL A 60 -8.968 8.986 -0.002 1.00 0.00 C ATOM 930 C VAL A 60 -8.149 7.912 0.679 1.00 0.00 C ATOM 931 O VAL A 60 -7.633 7.030 -0.002 1.00 0.00 O ATOM 932 CB VAL A 60 -9.973 8.287 -0.954 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.811 7.190 -0.249 1.00 0.00 C ATOM 934 CG2 VAL A 60 -10.911 9.311 -1.611 1.00 0.00 C ATOM 0 H VAL A 60 -7.797 9.475 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.527 9.591 0.712 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.372 7.798 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.496 6.738 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.146 6.424 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.382 7.636 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.606 8.795 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.470 9.840 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.323 10.026 -2.187 1.00 0.00 H new ATOM 944 N VAL A 61 -7.972 8.025 1.997 1.00 0.00 N ATOM 945 CA VAL A 61 -7.282 6.990 2.773 1.00 0.00 C ATOM 946 C VAL A 61 -8.196 5.789 3.047 1.00 0.00 C ATOM 947 O VAL A 61 -9.240 5.912 3.685 1.00 0.00 O ATOM 948 CB VAL A 61 -6.639 7.594 4.029 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.635 8.020 5.122 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.614 6.627 4.635 1.00 0.00 C ATOM 0 H VAL A 61 -8.295 8.820 2.549 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.460 6.588 2.180 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.154 8.505 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.090 8.435 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.313 8.774 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.209 7.153 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.171 7.076 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.110 5.695 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.832 6.421 3.904 1.00 0.00 H new ATOM 960 N LEU A 62 -7.778 4.637 2.527 1.00 0.00 N ATOM 961 CA LEU A 62 -8.496 3.375 2.601 1.00 0.00 C ATOM 962 C LEU A 62 -7.636 2.359 3.325 1.00 0.00 C ATOM 963 O LEU A 62 -6.940 1.541 2.733 1.00 0.00 O ATOM 964 CB LEU A 62 -8.945 2.976 1.195 1.00 0.00 C ATOM 965 CG LEU A 62 -9.439 1.520 1.026 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.220 0.917 2.212 1.00 0.00 C ATOM 967 CD2 LEU A 62 -10.375 1.535 -0.171 1.00 0.00 C ATOM 0 H LEU A 62 -6.894 4.558 2.023 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.411 3.451 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.746 3.648 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.112 3.138 0.510 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.549 0.899 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.512 -0.106 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.589 0.916 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.112 1.514 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.760 0.530 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.205 2.213 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.832 1.872 -1.054 1.00 0.00 H new ATOM 979 N LYS A 63 -7.825 2.368 4.638 1.00 0.00 N ATOM 980 CA LYS A 63 -7.243 1.410 5.597 1.00 0.00 C ATOM 981 C LYS A 63 -7.683 -0.044 5.321 1.00 0.00 C ATOM 982 O LYS A 63 -8.861 -0.404 5.411 1.00 0.00 O ATOM 983 CB LYS A 63 -7.496 1.873 7.053 1.00 0.00 C ATOM 984 CG LYS A 63 -8.964 1.911 7.520 1.00 0.00 C ATOM 985 CD LYS A 63 -9.110 2.448 8.956 1.00 0.00 C ATOM 986 CE LYS A 63 -8.329 1.602 9.973 1.00 0.00 C ATOM 987 NZ LYS A 63 -8.827 1.792 11.364 1.00 0.00 N ATOM 0 H LYS A 63 -8.411 3.068 5.093 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.162 1.401 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.943 1.213 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.075 2.872 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.542 2.537 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.386 0.907 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.756 3.478 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.165 2.463 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.406 0.549 9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.273 1.866 9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.271 1.202 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.730 2.792 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.828 1.515 11.415 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.728 -0.915 5.001 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.962 -2.357 4.927 1.00 0.00 C ATOM 1003 C PHE A 64 -7.012 -2.952 6.353 1.00 0.00 C ATOM 1004 O PHE A 64 -6.162 -2.619 7.170 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.848 -3.005 4.133 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.847 -2.641 2.667 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -4.847 -1.807 2.152 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -6.868 -3.102 1.824 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -4.803 -1.485 0.789 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -6.865 -2.740 0.471 1.00 0.00 C ATOM 1011 CZ PHE A 64 -5.822 -1.954 -0.054 1.00 0.00 C ATOM 0 H PHE A 64 -5.769 -0.641 4.785 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.914 -2.548 4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.891 -2.718 4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.930 -4.088 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.097 -1.405 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.652 -3.733 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.997 -0.885 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.668 -3.066 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 64 -5.806 -1.712 -1.106 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.904 -3.899 6.643 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.845 -4.653 7.924 1.00 0.00 C ATOM 1023 C ALA A 65 -6.708 -5.664 8.062 1.00 0.00 C ATOM 1024 O ALA A 65 -6.716 -6.482 8.993 1.00 0.00 O ATOM 1025 CB ALA A 65 -9.157 -5.384 8.180 1.00 0.00 C ATOM 0 H ALA A 65 -8.671 -4.170 6.027 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.653 -3.875 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.092 -5.929 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.971 -4.662 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.347 -6.085 7.367 1.00 0.00 H new ATOM 1031 N THR A 66 -5.734 -5.720 7.147 1.00 0.00 N ATOM 1032 CA THR A 66 -4.649 -6.668 7.165 1.00 0.00 C ATOM 1033 C THR A 66 -3.627 -6.033 6.283 1.00 0.00 C ATOM 1034 O THR A 66 -3.887 -5.082 5.552 1.00 0.00 O ATOM 1035 CB THR A 66 -4.989 -8.049 6.584 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.364 -8.309 6.701 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.357 -9.210 7.326 1.00 0.00 C ATOM 0 H THR A 66 -5.691 -5.080 6.354 1.00 0.00 H new ATOM 0 HA THR A 66 -4.346 -6.862 8.194 1.00 0.00 H new ATOM 0 HB THR A 66 -4.622 -7.993 5.559 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.563 -9.192 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.648 -10.147 6.851 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.272 -9.111 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.696 -9.208 8.362 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.513 -6.699 6.242 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.626 -6.516 5.140 1.00 0.00 C ATOM 1047 C VAL A 67 -2.109 -7.275 3.905 1.00 0.00 C ATOM 1048 O VAL A 67 -2.198 -6.710 2.819 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.277 -7.080 5.532 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.680 -6.215 4.787 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.263 -7.083 6.943 1.00 0.00 C ATOM 0 H VAL A 67 -2.202 -7.365 6.949 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.576 -5.453 4.902 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.399 -8.145 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.700 -6.536 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.488 -6.297 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.553 -5.179 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.250 -7.545 6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.338 -6.058 7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.409 -7.648 7.589 1.00 0.00 H new ATOM 1061 N SER A 68 -2.479 -8.551 4.092 1.00 0.00 N ATOM 1062 CA SER A 68 -2.823 -9.511 3.046 1.00 0.00 C ATOM 1063 C SER A 68 -3.959 -9.019 2.140 1.00 0.00 C ATOM 1064 O SER A 68 -4.097 -9.458 1.003 1.00 0.00 O ATOM 1065 CB SER A 68 -3.221 -10.829 3.728 1.00 0.00 C ATOM 1066 OG SER A 68 -2.359 -11.075 4.834 1.00 0.00 O ATOM 0 H SER A 68 -2.548 -8.956 5.026 1.00 0.00 H new ATOM 0 HA SER A 68 -1.956 -9.647 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.256 -10.777 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.159 -11.652 3.016 1.00 0.00 H new ATOM 0 HG SER A 68 -2.616 -11.915 5.268 1.00 0.00 H new ATOM 1072 N LYS A 69 -4.752 -8.061 2.629 1.00 0.00 N ATOM 1073 CA LYS A 69 -5.848 -7.444 1.872 1.00 0.00 C ATOM 1074 C LYS A 69 -5.391 -6.653 0.666 1.00 0.00 C ATOM 1075 O LYS A 69 -5.924 -6.832 -0.430 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.598 -6.458 2.764 1.00 0.00 C ATOM 1077 CG LYS A 69 -6.944 -6.956 4.159 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.403 -6.717 4.507 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.090 -8.001 4.021 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.577 -7.966 3.924 1.00 0.00 N ATOM 0 H LYS A 69 -4.651 -7.687 3.573 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.467 -8.276 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.996 -5.554 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.522 -6.173 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.726 -8.022 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.311 -6.453 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.543 -6.565 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.798 -5.834 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.690 -8.250 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.811 -8.812 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.925 -8.886 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.981 -7.766 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.864 -7.222 3.257 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.358 -5.826 0.871 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.801 -5.033 -0.209 1.00 0.00 C ATOM 1096 C ALA A 70 -3.446 -5.868 -1.466 1.00 0.00 C ATOM 1097 O ALA A 70 -3.637 -5.428 -2.588 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.620 -4.290 0.394 1.00 0.00 C ATOM 0 H ALA A 70 -3.900 -5.696 1.773 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.536 -4.329 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.152 -3.670 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.967 -3.658 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.894 -5.008 0.774 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.033 -7.126 -1.302 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.694 -8.103 -2.357 1.00 0.00 C ATOM 1106 C ARG A 71 -3.863 -8.438 -3.293 1.00 0.00 C ATOM 1107 O ARG A 71 -3.653 -8.684 -4.473 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.221 -9.425 -1.702 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.151 -10.171 -2.532 1.00 0.00 C ATOM 1110 CD ARG A 71 0.083 -10.645 -1.734 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.197 -11.753 -0.801 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.767 -12.392 -0.138 1.00 0.00 C ATOM 1113 NH1 ARG A 71 2.037 -12.172 -0.366 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.509 -13.316 0.754 1.00 0.00 N ATOM 0 H ARG A 71 -2.916 -7.523 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.913 -7.636 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.817 -9.208 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.081 -10.079 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.616 -11.038 -3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.815 -9.516 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.857 -10.960 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.485 -9.802 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.165 -12.041 -0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.318 -11.491 -1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.746 -12.681 0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.457 -13.569 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.274 -13.783 1.241 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.082 -8.430 -2.768 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.330 -8.706 -3.494 1.00 0.00 C ATOM 1130 C ALA A 72 -6.964 -7.429 -4.089 1.00 0.00 C ATOM 1131 O ALA A 72 -7.800 -7.477 -4.988 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.230 -9.393 -2.465 1.00 0.00 C ATOM 0 H ALA A 72 -5.242 -8.223 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.163 -9.337 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.188 -9.636 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.752 -10.309 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.392 -8.725 -1.619 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.495 -6.273 -3.613 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.765 -4.935 -4.146 1.00 0.00 C ATOM 1140 C TYR A 73 -5.794 -4.612 -5.294 1.00 0.00 C ATOM 1141 O TYR A 73 -5.996 -3.765 -6.153 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.691 -3.969 -2.976 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.674 -2.527 -3.398 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -7.844 -1.817 -3.695 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -5.430 -1.904 -3.541 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -7.754 -0.484 -4.129 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -5.309 -0.591 -3.995 1.00 0.00 C ATOM 1148 CZ TYR A 73 -6.497 0.143 -4.278 1.00 0.00 C ATOM 1149 OH TYR A 73 -6.513 1.443 -4.676 1.00 0.00 O ATOM 0 H TYR A 73 -5.881 -6.244 -2.799 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.757 -4.858 -4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.544 -4.138 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.794 -4.181 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.809 -2.291 -3.591 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.536 -2.457 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.656 0.067 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.337 -0.141 -4.129 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.005 1.980 -4.020 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.668 -5.305 -5.369 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.695 -5.083 -6.418 1.00 0.00 C ATOM 1161 C LEU A 74 -4.162 -5.564 -7.788 1.00 0.00 C ATOM 1162 O LEU A 74 -3.866 -4.953 -8.816 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.449 -5.751 -5.872 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.675 -4.848 -4.893 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.462 -4.356 -5.601 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -2.290 -3.509 -4.484 1.00 0.00 C ATOM 0 H LEU A 74 -4.407 -6.034 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.514 -4.030 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.729 -6.675 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.796 -6.027 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.582 -5.491 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.112 -3.711 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.152 -5.204 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.760 -3.791 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.621 -2.997 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.439 -2.891 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.250 -3.683 -3.998 1.00 0.00 H new ATOM 1178 N GLU A 75 -4.987 -6.592 -7.743 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.741 -7.106 -8.881 1.00 0.00 C ATOM 1180 C GLU A 75 -7.143 -6.478 -8.963 1.00 0.00 C ATOM 1181 O GLU A 75 -7.885 -6.806 -9.891 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.782 -8.642 -8.845 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.915 -9.223 -7.435 1.00 0.00 C ATOM 1184 CD GLU A 75 -6.139 -10.740 -7.446 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -6.728 -11.199 -6.400 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -5.771 -11.436 -8.380 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.160 -7.114 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.227 -6.815 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.619 -8.988 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.873 -9.031 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.014 -8.996 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.747 -8.739 -6.923 1.00 0.00 H new ATOM 1193 N THR A 76 -7.506 -5.585 -8.015 1.00 0.00 N ATOM 1194 CA THR A 76 -8.857 -5.045 -7.820 1.00 0.00 C ATOM 1195 C THR A 76 -8.897 -3.579 -7.405 1.00 0.00 C ATOM 1196 O THR A 76 -8.573 -3.185 -6.299 1.00 0.00 O ATOM 1197 CB THR A 76 -9.720 -5.787 -6.805 1.00 0.00 C ATOM 1198 OG1 THR A 76 -9.684 -7.173 -7.030 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.150 -5.272 -6.961 1.00 0.00 C ATOM 0 H THR A 76 -6.836 -5.211 -7.343 1.00 0.00 H new ATOM 0 HA THR A 76 -9.265 -5.179 -8.822 1.00 0.00 H new ATOM 0 HB THR A 76 -9.346 -5.610 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.052 -7.589 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.800 -5.781 -6.249 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.173 -4.199 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.499 -5.468 -7.975 1.00 0.00 H new ATOM 1207 N LYS A 77 -9.525 -2.863 -8.317 1.00 0.00 N ATOM 1208 CA LYS A 77 -9.988 -1.485 -8.326 1.00 0.00 C ATOM 1209 C LYS A 77 -10.602 -0.878 -7.048 1.00 0.00 C ATOM 1210 O LYS A 77 -10.388 0.350 -6.859 1.00 0.00 O ATOM 1211 CB LYS A 77 -10.932 -1.429 -9.536 1.00 0.00 C ATOM 1212 CG LYS A 77 -12.032 -2.488 -9.771 1.00 0.00 C ATOM 1213 CD LYS A 77 -13.072 -2.473 -8.644 1.00 0.00 C ATOM 1214 CE LYS A 77 -14.510 -2.788 -9.069 1.00 0.00 C ATOM 1215 NZ LYS A 77 -15.150 -1.622 -9.733 1.00 0.00 N ATOM 1216 OXT LYS A 77 -11.427 -1.523 -6.365 1.00 0.00 O1- ATOM 0 H LYS A 77 -9.758 -3.304 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.116 -0.834 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.432 -0.461 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.302 -1.429 -10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.524 -2.298 -10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.579 -3.477 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.770 -3.194 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.058 -1.490 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.511 -3.641 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.094 -3.076 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.122 -1.869 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.170 -0.816 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.606 -1.363 -10.581 1.00 0.00 H new TER 1230 LYS A 77