USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 933 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= -0.609 (180deg=-2.28!) USER MOD Single : A 5 ASN : amide:sc= -0.0495 K(o=-0.049,f=-7.1!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -64:sc= 1.23 USER MOD Single : A 15 SER OG : rot -62:sc= 0.286 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 62:sc= 0.88 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 42:sc= 0.0759 USER MOD Single : A 31 CYS SG : rot 180:sc= -6.44! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 34 THR OG1 : rot 180:sc=0.000481 USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00795) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 160:sc= -0.0123 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 3:sc= 0.362 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= 0.0162 (180deg=-0.0577) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -2.93! C(o=-4.7!,f=-2.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -58:sc= 1.13 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 75 THR OG1 : rot -73:sc= -1.5 USER MOD Single : A 77 GLN :FLIP amide:sc= -14.3! C(o=-15!,f=-14!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 88 THR OG1 : rot -176:sc= 0.106 USER MOD Single : A 90 MET CE :methyl -156:sc= -16.6! (180deg=-22.6!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot -170:sc= -1.63! USER MOD Single : A 100 ASN : amide:sc= 0.798 K(o=0.8,f=-1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.02 K(o=-1,f=-6.2!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot -58:sc= 1.17 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.424 -16.173 -42.457 1.00 0.00 N ATOM 2 CA MET A 1 -1.974 -17.196 -41.473 1.00 0.00 C ATOM 3 C MET A 1 -1.489 -18.440 -42.222 1.00 0.00 C ATOM 4 O MET A 1 -2.172 -19.445 -42.260 1.00 0.00 O ATOM 5 CB MET A 1 -3.143 -17.571 -40.557 1.00 0.00 C ATOM 6 CG MET A 1 -2.605 -18.246 -39.295 1.00 0.00 C ATOM 7 SD MET A 1 -3.899 -18.279 -38.030 1.00 0.00 S ATOM 8 CE MET A 1 -2.832 -17.950 -36.606 1.00 0.00 C ATOM 0 H1 MET A 1 -1.834 -15.321 -42.367 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.336 -16.555 -43.420 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.417 -15.927 -42.272 1.00 0.00 H new ATOM 0 HA MET A 1 -1.159 -16.793 -40.872 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.711 -16.680 -40.291 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.827 -18.242 -41.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.279 -19.261 -39.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.733 -17.707 -38.925 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.434 -17.926 -35.698 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.082 -18.737 -36.524 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.336 -16.988 -36.738 1.00 0.00 H new ATOM 18 N PRO A 2 -0.318 -18.333 -42.797 1.00 0.00 N ATOM 19 CA PRO A 2 0.298 -19.433 -43.559 1.00 0.00 C ATOM 20 C PRO A 2 0.904 -20.467 -42.605 1.00 0.00 C ATOM 21 O PRO A 2 1.016 -21.633 -42.928 1.00 0.00 O ATOM 22 CB PRO A 2 1.388 -18.738 -44.378 1.00 0.00 C ATOM 23 CG PRO A 2 1.714 -17.416 -43.640 1.00 0.00 C ATOM 24 CD PRO A 2 0.502 -17.104 -42.741 1.00 0.00 C ATOM 0 HA PRO A 2 -0.413 -19.975 -44.183 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.275 -19.367 -44.457 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.045 -18.541 -45.394 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.622 -17.518 -43.045 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.888 -16.608 -44.351 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.811 -16.878 -41.721 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.052 -16.239 -43.106 1.00 0.00 H new ATOM 32 N ASP A 3 1.291 -20.048 -41.432 1.00 0.00 N ATOM 33 CA ASP A 3 1.888 -21.005 -40.459 1.00 0.00 C ATOM 34 C ASP A 3 1.522 -20.577 -39.037 1.00 0.00 C ATOM 35 O ASP A 3 0.484 -19.990 -38.802 1.00 0.00 O ATOM 36 CB ASP A 3 3.410 -21.006 -40.613 1.00 0.00 C ATOM 37 CG ASP A 3 3.776 -21.241 -42.079 1.00 0.00 C ATOM 38 OD1 ASP A 3 3.848 -20.270 -42.813 1.00 0.00 O ATOM 39 OD2 ASP A 3 3.978 -22.389 -42.441 1.00 0.00 O ATOM 0 H ASP A 3 1.220 -19.084 -41.105 1.00 0.00 H new ATOM 0 HA ASP A 3 1.502 -22.006 -40.650 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.821 -20.055 -40.273 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.848 -21.785 -39.989 1.00 0.00 H new ATOM 44 N LEU A 4 2.368 -20.863 -38.086 1.00 0.00 N ATOM 45 CA LEU A 4 2.069 -20.470 -36.681 1.00 0.00 C ATOM 46 C LEU A 4 3.077 -19.413 -36.225 1.00 0.00 C ATOM 47 O LEU A 4 3.584 -19.458 -35.122 1.00 0.00 O ATOM 48 CB LEU A 4 2.166 -21.696 -35.772 1.00 0.00 C ATOM 49 CG LEU A 4 1.070 -21.629 -34.708 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.480 -23.024 -34.490 1.00 0.00 C ATOM 51 CD2 LEU A 4 1.665 -21.115 -33.395 1.00 0.00 C ATOM 0 H LEU A 4 3.253 -21.352 -38.221 1.00 0.00 H new ATOM 0 HA LEU A 4 1.060 -20.060 -36.625 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.061 -22.608 -36.360 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.147 -21.734 -35.298 1.00 0.00 H new ATOM 0 HG LEU A 4 0.283 -20.952 -35.041 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.301 -22.974 -33.731 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.055 -23.389 -35.425 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.265 -23.703 -34.158 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.884 -21.067 -32.636 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.453 -21.791 -33.063 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.082 -20.120 -33.550 1.00 0.00 H new ATOM 63 N ASN A 5 3.370 -18.461 -37.068 1.00 0.00 N ATOM 64 CA ASN A 5 4.343 -17.399 -36.686 1.00 0.00 C ATOM 65 C ASN A 5 3.578 -16.143 -36.262 1.00 0.00 C ATOM 66 O ASN A 5 2.526 -15.840 -36.787 1.00 0.00 O ATOM 67 CB ASN A 5 5.235 -17.070 -37.884 1.00 0.00 C ATOM 68 CG ASN A 5 4.380 -16.480 -39.008 1.00 0.00 C ATOM 69 OD1 ASN A 5 3.220 -16.815 -39.143 1.00 0.00 O ATOM 70 ND2 ASN A 5 4.908 -15.610 -39.825 1.00 0.00 N ATOM 0 H ASN A 5 2.977 -18.373 -38.005 1.00 0.00 H new ATOM 0 HA ASN A 5 4.961 -17.749 -35.859 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.009 -16.361 -37.591 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.742 -17.970 -38.232 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.347 -15.211 -40.577 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.882 -15.329 -39.711 1.00 0.00 H new ATOM 77 N SER A 6 4.098 -15.409 -35.316 1.00 0.00 N ATOM 78 CA SER A 6 3.394 -14.177 -34.865 1.00 0.00 C ATOM 79 C SER A 6 4.421 -13.123 -34.442 1.00 0.00 C ATOM 80 O SER A 6 4.296 -11.958 -34.764 1.00 0.00 O ATOM 81 CB SER A 6 2.490 -14.514 -33.680 1.00 0.00 C ATOM 82 OG SER A 6 1.580 -15.537 -34.060 1.00 0.00 O ATOM 0 H SER A 6 4.977 -15.609 -34.838 1.00 0.00 H new ATOM 0 HA SER A 6 2.791 -13.784 -35.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.090 -14.842 -32.832 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.944 -13.626 -33.360 1.00 0.00 H new ATOM 0 HG SER A 6 1.000 -15.757 -33.302 1.00 0.00 H new ATOM 88 N SER A 7 5.434 -13.521 -33.723 1.00 0.00 N ATOM 89 CA SER A 7 6.463 -12.536 -33.283 1.00 0.00 C ATOM 90 C SER A 7 7.222 -12.013 -34.505 1.00 0.00 C ATOM 91 O SER A 7 8.240 -12.552 -34.892 1.00 0.00 O ATOM 92 CB SER A 7 7.442 -13.213 -32.324 1.00 0.00 C ATOM 93 OG SER A 7 8.113 -12.220 -31.562 1.00 0.00 O ATOM 0 H SER A 7 5.594 -14.482 -33.422 1.00 0.00 H new ATOM 0 HA SER A 7 5.976 -11.704 -32.774 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.908 -13.896 -31.663 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.164 -13.809 -32.883 1.00 0.00 H new ATOM 0 HG SER A 7 8.741 -12.650 -30.945 1.00 0.00 H new ATOM 99 N THR A 8 6.735 -10.968 -35.115 1.00 0.00 N ATOM 100 CA THR A 8 7.429 -10.412 -36.313 1.00 0.00 C ATOM 101 C THR A 8 7.941 -9.005 -35.997 1.00 0.00 C ATOM 102 O THR A 8 9.113 -8.716 -36.130 1.00 0.00 O ATOM 103 CB THR A 8 6.448 -10.347 -37.486 1.00 0.00 C ATOM 104 OG1 THR A 8 5.117 -10.416 -36.994 1.00 0.00 O ATOM 105 CG2 THR A 8 6.705 -11.517 -38.437 1.00 0.00 C ATOM 0 H THR A 8 5.887 -10.474 -34.837 1.00 0.00 H new ATOM 0 HA THR A 8 8.269 -11.054 -36.578 1.00 0.00 H new ATOM 0 HB THR A 8 6.588 -9.409 -38.024 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.488 -10.373 -37.744 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.005 -11.468 -39.271 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.726 -11.461 -38.816 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.568 -12.457 -37.903 1.00 0.00 H new ATOM 113 N ASP A 9 7.072 -8.126 -35.578 1.00 0.00 N ATOM 114 CA ASP A 9 7.511 -6.739 -35.254 1.00 0.00 C ATOM 115 C ASP A 9 8.038 -6.057 -36.519 1.00 0.00 C ATOM 116 O ASP A 9 8.989 -5.303 -36.479 1.00 0.00 O ATOM 117 CB ASP A 9 8.622 -6.788 -34.202 1.00 0.00 C ATOM 118 CG ASP A 9 8.536 -5.550 -33.309 1.00 0.00 C ATOM 119 OD1 ASP A 9 7.497 -5.353 -32.701 1.00 0.00 O ATOM 120 OD2 ASP A 9 9.511 -4.818 -33.249 1.00 0.00 O ATOM 0 H ASP A 9 6.077 -8.308 -35.446 1.00 0.00 H new ATOM 0 HA ASP A 9 6.664 -6.174 -34.865 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.527 -7.691 -33.599 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.596 -6.831 -34.689 1.00 0.00 H new ATOM 125 N SER A 10 7.426 -6.312 -37.645 1.00 0.00 N ATOM 126 CA SER A 10 7.896 -5.676 -38.907 1.00 0.00 C ATOM 127 C SER A 10 6.718 -5.536 -39.876 1.00 0.00 C ATOM 128 O SER A 10 5.606 -5.918 -39.573 1.00 0.00 O ATOM 129 CB SER A 10 8.981 -6.543 -39.545 1.00 0.00 C ATOM 130 OG SER A 10 8.376 -7.669 -40.165 1.00 0.00 O ATOM 0 H SER A 10 6.622 -6.932 -37.744 1.00 0.00 H new ATOM 0 HA SER A 10 8.305 -4.690 -38.686 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.540 -5.964 -40.281 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.694 -6.869 -38.788 1.00 0.00 H new ATOM 0 HG SER A 10 9.068 -8.227 -40.577 1.00 0.00 H new ATOM 136 N ALA A 11 6.954 -4.992 -41.039 1.00 0.00 N ATOM 137 CA ALA A 11 5.847 -4.830 -42.024 1.00 0.00 C ATOM 138 C ALA A 11 4.746 -3.958 -41.415 1.00 0.00 C ATOM 139 O ALA A 11 4.602 -3.871 -40.212 1.00 0.00 O ATOM 140 CB ALA A 11 5.271 -6.204 -42.377 1.00 0.00 C ATOM 0 H ALA A 11 7.865 -4.653 -41.349 1.00 0.00 H new ATOM 0 HA ALA A 11 6.231 -4.354 -42.926 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.462 -6.085 -43.097 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.054 -6.826 -42.810 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.887 -6.680 -41.475 1.00 0.00 H new ATOM 146 N ALA A 12 3.968 -3.311 -42.240 1.00 0.00 N ATOM 147 CA ALA A 12 2.878 -2.445 -41.710 1.00 0.00 C ATOM 148 C ALA A 12 1.883 -3.302 -40.925 1.00 0.00 C ATOM 149 O ALA A 12 1.863 -3.290 -39.710 1.00 0.00 O ATOM 150 CB ALA A 12 2.155 -1.765 -42.874 1.00 0.00 C ATOM 0 H ALA A 12 4.040 -3.345 -43.257 1.00 0.00 H new ATOM 0 HA ALA A 12 3.304 -1.687 -41.053 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.357 -1.131 -42.486 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.863 -1.155 -43.435 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.729 -2.524 -43.531 1.00 0.00 H new ATOM 156 N SER A 13 1.058 -4.047 -41.609 1.00 0.00 N ATOM 157 CA SER A 13 0.066 -4.904 -40.901 1.00 0.00 C ATOM 158 C SER A 13 -0.771 -4.039 -39.959 1.00 0.00 C ATOM 159 O SER A 13 -0.640 -2.831 -39.928 1.00 0.00 O ATOM 160 CB SER A 13 0.799 -5.973 -40.090 1.00 0.00 C ATOM 161 OG SER A 13 0.948 -5.526 -38.748 1.00 0.00 O ATOM 0 H SER A 13 1.028 -4.099 -42.627 1.00 0.00 H new ATOM 0 HA SER A 13 -0.584 -5.385 -41.632 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.242 -6.909 -40.114 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.776 -6.173 -40.529 1.00 0.00 H new ATOM 0 HG SER A 13 1.523 -4.733 -38.729 1.00 0.00 H new ATOM 167 N ALA A 14 -1.630 -4.646 -39.188 1.00 0.00 N ATOM 168 CA ALA A 14 -2.472 -3.857 -38.248 1.00 0.00 C ATOM 169 C ALA A 14 -1.837 -3.882 -36.856 1.00 0.00 C ATOM 170 O ALA A 14 -2.518 -3.946 -35.852 1.00 0.00 O ATOM 171 CB ALA A 14 -3.873 -4.468 -38.183 1.00 0.00 C ATOM 0 H ALA A 14 -1.785 -5.654 -39.169 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.543 -2.827 -38.597 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.490 -3.891 -37.495 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.324 -4.452 -39.175 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.805 -5.498 -37.833 1.00 0.00 H new ATOM 177 N SER A 15 -0.533 -3.834 -36.789 1.00 0.00 N ATOM 178 CA SER A 15 0.148 -3.857 -35.463 1.00 0.00 C ATOM 179 C SER A 15 0.099 -2.460 -34.840 1.00 0.00 C ATOM 180 O SER A 15 1.115 -1.855 -34.568 1.00 0.00 O ATOM 181 CB SER A 15 1.606 -4.281 -35.644 1.00 0.00 C ATOM 182 OG SER A 15 2.245 -4.326 -34.376 1.00 0.00 O ATOM 0 H SER A 15 0.089 -3.780 -37.595 1.00 0.00 H new ATOM 0 HA SER A 15 -0.358 -4.566 -34.808 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.655 -5.259 -36.123 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.122 -3.579 -36.299 1.00 0.00 H new ATOM 0 HG SER A 15 2.240 -3.432 -33.975 1.00 0.00 H new ATOM 188 N ALA A 16 -1.078 -1.945 -34.612 1.00 0.00 N ATOM 189 CA ALA A 16 -1.190 -0.588 -34.008 1.00 0.00 C ATOM 190 C ALA A 16 -2.420 -0.535 -33.100 1.00 0.00 C ATOM 191 O ALA A 16 -3.019 0.505 -32.913 1.00 0.00 O ATOM 192 CB ALA A 16 -1.333 0.453 -35.118 1.00 0.00 C ATOM 0 H ALA A 16 -1.965 -2.404 -34.817 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.295 -0.376 -33.423 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.415 1.446 -34.677 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.458 0.415 -35.767 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.228 0.241 -35.703 1.00 0.00 H new ATOM 198 N ALA A 17 -2.804 -1.648 -32.537 1.00 0.00 N ATOM 199 CA ALA A 17 -3.997 -1.657 -31.644 1.00 0.00 C ATOM 200 C ALA A 17 -4.108 -3.015 -30.949 1.00 0.00 C ATOM 201 O ALA A 17 -4.028 -3.113 -29.740 1.00 0.00 O ATOM 202 CB ALA A 17 -5.258 -1.406 -32.475 1.00 0.00 C ATOM 0 H ALA A 17 -2.344 -2.550 -32.657 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.893 -0.874 -30.893 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.131 -1.412 -31.822 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.181 -0.437 -32.969 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.361 -2.189 -33.226 1.00 0.00 H new ATOM 208 N SER A 18 -4.297 -4.063 -31.701 1.00 0.00 N ATOM 209 CA SER A 18 -4.418 -5.413 -31.083 1.00 0.00 C ATOM 210 C SER A 18 -5.545 -5.398 -30.047 1.00 0.00 C ATOM 211 O SER A 18 -5.318 -5.180 -28.873 1.00 0.00 O ATOM 212 CB SER A 18 -3.101 -5.782 -30.397 1.00 0.00 C ATOM 213 OG SER A 18 -2.041 -5.704 -31.342 1.00 0.00 O ATOM 0 H SER A 18 -4.373 -4.043 -32.718 1.00 0.00 H new ATOM 0 HA SER A 18 -4.642 -6.148 -31.856 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.910 -5.107 -29.563 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.162 -6.789 -29.984 1.00 0.00 H new ATOM 0 HG SER A 18 -1.196 -5.938 -30.905 1.00 0.00 H new ATOM 219 N ASP A 19 -6.756 -5.629 -30.471 1.00 0.00 N ATOM 220 CA ASP A 19 -7.896 -5.629 -29.511 1.00 0.00 C ATOM 221 C ASP A 19 -8.226 -7.070 -29.116 1.00 0.00 C ATOM 222 O ASP A 19 -9.375 -7.459 -29.049 1.00 0.00 O ATOM 223 CB ASP A 19 -9.118 -4.989 -30.172 1.00 0.00 C ATOM 224 CG ASP A 19 -8.671 -3.814 -31.043 1.00 0.00 C ATOM 225 OD1 ASP A 19 -8.069 -4.061 -32.074 1.00 0.00 O ATOM 226 OD2 ASP A 19 -8.939 -2.686 -30.663 1.00 0.00 O ATOM 0 H ASP A 19 -7.006 -5.818 -31.442 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.625 -5.060 -28.622 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.644 -5.726 -30.779 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.818 -4.645 -29.411 1.00 0.00 H new ATOM 231 N VAL A 20 -7.225 -7.866 -28.856 1.00 0.00 N ATOM 232 CA VAL A 20 -7.482 -9.283 -28.470 1.00 0.00 C ATOM 233 C VAL A 20 -7.492 -9.406 -26.947 1.00 0.00 C ATOM 234 O VAL A 20 -7.144 -10.430 -26.393 1.00 0.00 O ATOM 235 CB VAL A 20 -6.379 -10.170 -29.045 1.00 0.00 C ATOM 236 CG1 VAL A 20 -6.754 -11.641 -28.860 1.00 0.00 C ATOM 237 CG2 VAL A 20 -6.210 -9.870 -30.535 1.00 0.00 C ATOM 0 H VAL A 20 -6.242 -7.597 -28.894 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.448 -9.598 -28.863 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.443 -9.968 -28.524 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.966 -12.272 -29.271 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.874 -11.855 -27.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.690 -11.846 -29.379 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.423 -10.502 -30.946 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.146 -10.071 -31.055 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.940 -8.822 -30.667 1.00 0.00 H new ATOM 247 N SER A 21 -7.889 -8.370 -26.267 1.00 0.00 N ATOM 248 CA SER A 21 -7.924 -8.421 -24.778 1.00 0.00 C ATOM 249 C SER A 21 -9.252 -9.031 -24.321 1.00 0.00 C ATOM 250 O SER A 21 -10.285 -8.812 -24.920 1.00 0.00 O ATOM 251 CB SER A 21 -7.793 -7.005 -24.214 1.00 0.00 C ATOM 252 OG SER A 21 -6.821 -6.290 -24.964 1.00 0.00 O ATOM 0 H SER A 21 -8.192 -7.487 -26.677 1.00 0.00 H new ATOM 0 HA SER A 21 -7.098 -9.033 -24.416 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.754 -6.492 -24.260 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.502 -7.045 -23.164 1.00 0.00 H new ATOM 0 HG SER A 21 -6.735 -5.381 -24.607 1.00 0.00 H new ATOM 258 N VAL A 22 -9.230 -9.795 -23.263 1.00 0.00 N ATOM 259 CA VAL A 22 -10.489 -10.418 -22.768 1.00 0.00 C ATOM 260 C VAL A 22 -11.179 -9.463 -21.794 1.00 0.00 C ATOM 261 O VAL A 22 -10.539 -8.745 -21.055 1.00 0.00 O ATOM 262 CB VAL A 22 -10.160 -11.730 -22.054 1.00 0.00 C ATOM 263 CG1 VAL A 22 -11.453 -12.383 -21.563 1.00 0.00 C ATOM 264 CG2 VAL A 22 -9.451 -12.674 -23.028 1.00 0.00 C ATOM 0 H VAL A 22 -8.394 -10.014 -22.721 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.153 -10.620 -23.609 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.510 -11.528 -21.203 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.218 -13.318 -21.054 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.960 -11.711 -20.871 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.104 -12.586 -22.414 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.215 -13.610 -22.521 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.102 -12.876 -23.878 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.529 -12.210 -23.379 1.00 0.00 H new ATOM 274 N GLU A 23 -12.484 -9.449 -21.789 1.00 0.00 N ATOM 275 CA GLU A 23 -13.216 -8.538 -20.864 1.00 0.00 C ATOM 276 C GLU A 23 -13.194 -9.119 -19.448 1.00 0.00 C ATOM 277 O GLU A 23 -14.153 -9.714 -18.997 1.00 0.00 O ATOM 278 CB GLU A 23 -14.665 -8.391 -21.335 1.00 0.00 C ATOM 279 CG GLU A 23 -15.212 -7.034 -20.891 1.00 0.00 C ATOM 280 CD GLU A 23 -16.491 -6.718 -21.669 1.00 0.00 C ATOM 281 OE1 GLU A 23 -17.279 -7.627 -21.869 1.00 0.00 O ATOM 282 OE2 GLU A 23 -16.660 -5.572 -22.051 1.00 0.00 O ATOM 0 H GLU A 23 -13.075 -10.029 -22.385 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.734 -7.560 -20.860 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.716 -8.478 -22.420 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.276 -9.194 -20.922 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.419 -7.046 -19.821 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.468 -6.256 -21.063 1.00 0.00 H new ATOM 289 N SER A 24 -12.109 -8.953 -18.743 1.00 0.00 N ATOM 290 CA SER A 24 -12.032 -9.496 -17.356 1.00 0.00 C ATOM 291 C SER A 24 -10.590 -9.413 -16.853 1.00 0.00 C ATOM 292 O SER A 24 -10.185 -8.433 -16.258 1.00 0.00 O ATOM 293 CB SER A 24 -12.489 -10.955 -17.356 1.00 0.00 C ATOM 294 OG SER A 24 -13.876 -11.012 -17.049 1.00 0.00 O ATOM 0 H SER A 24 -11.273 -8.466 -19.066 1.00 0.00 H new ATOM 0 HA SER A 24 -12.678 -8.912 -16.701 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.301 -11.407 -18.330 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.919 -11.527 -16.624 1.00 0.00 H new ATOM 0 HG SER A 24 -14.383 -10.530 -17.735 1.00 0.00 H new ATOM 300 N THR A 25 -9.810 -10.433 -17.086 1.00 0.00 N ATOM 301 CA THR A 25 -8.396 -10.411 -16.620 1.00 0.00 C ATOM 302 C THR A 25 -7.564 -11.378 -17.465 1.00 0.00 C ATOM 303 O THR A 25 -8.034 -12.421 -17.875 1.00 0.00 O ATOM 304 CB THR A 25 -8.336 -10.833 -15.150 1.00 0.00 C ATOM 305 OG1 THR A 25 -8.857 -12.147 -15.015 1.00 0.00 O ATOM 306 CG2 THR A 25 -9.164 -9.863 -14.305 1.00 0.00 C ATOM 0 H THR A 25 -10.092 -11.280 -17.579 1.00 0.00 H new ATOM 0 HA THR A 25 -7.995 -9.403 -16.724 1.00 0.00 H new ATOM 0 HB THR A 25 -7.301 -10.816 -14.808 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.818 -12.419 -14.074 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.121 -10.164 -13.258 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.762 -8.855 -14.410 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.200 -9.878 -14.644 1.00 0.00 H new ATOM 314 N ALA A 26 -6.332 -11.041 -17.729 1.00 0.00 N ATOM 315 CA ALA A 26 -5.471 -11.940 -18.548 1.00 0.00 C ATOM 316 C ALA A 26 -4.004 -11.702 -18.188 1.00 0.00 C ATOM 317 O ALA A 26 -3.617 -10.612 -17.817 1.00 0.00 O ATOM 318 CB ALA A 26 -5.686 -11.639 -20.033 1.00 0.00 C ATOM 0 H ALA A 26 -5.884 -10.181 -17.413 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.733 -12.979 -18.347 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.056 -12.296 -20.632 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.732 -11.805 -20.290 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.423 -10.601 -20.236 1.00 0.00 H new ATOM 324 N GLU A 27 -3.184 -12.709 -18.298 1.00 0.00 N ATOM 325 CA GLU A 27 -1.741 -12.531 -17.962 1.00 0.00 C ATOM 326 C GLU A 27 -1.630 -11.784 -16.637 1.00 0.00 C ATOM 327 O GLU A 27 -0.661 -11.100 -16.371 1.00 0.00 O ATOM 328 CB GLU A 27 -1.055 -11.721 -19.063 1.00 0.00 C ATOM 329 CG GLU A 27 -1.767 -11.969 -20.392 1.00 0.00 C ATOM 330 CD GLU A 27 -0.828 -11.630 -21.552 1.00 0.00 C ATOM 331 OE1 GLU A 27 0.168 -12.318 -21.701 1.00 0.00 O ATOM 332 OE2 GLU A 27 -1.122 -10.689 -22.271 1.00 0.00 O ATOM 0 H GLU A 27 -3.448 -13.645 -18.605 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.259 -13.505 -17.879 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.079 -10.659 -18.817 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.006 -12.007 -19.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.081 -13.011 -20.458 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.669 -11.360 -20.452 1.00 0.00 H new ATOM 339 N ALA A 28 -2.623 -11.911 -15.810 1.00 0.00 N ATOM 340 CA ALA A 28 -2.599 -11.215 -14.492 1.00 0.00 C ATOM 341 C ALA A 28 -2.763 -9.709 -14.711 1.00 0.00 C ATOM 342 O ALA A 28 -2.613 -9.214 -15.809 1.00 0.00 O ATOM 343 CB ALA A 28 -1.266 -11.487 -13.794 1.00 0.00 C ATOM 0 H ALA A 28 -3.458 -12.470 -15.988 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.414 -11.584 -13.870 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.249 -10.978 -12.830 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.148 -12.560 -13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.449 -11.118 -14.414 1.00 0.00 H new ATOM 349 N THR A 29 -3.065 -8.974 -13.674 1.00 0.00 N ATOM 350 CA THR A 29 -3.232 -7.502 -13.833 1.00 0.00 C ATOM 351 C THR A 29 -2.319 -6.776 -12.844 1.00 0.00 C ATOM 352 O THR A 29 -2.295 -7.079 -11.669 1.00 0.00 O ATOM 353 CB THR A 29 -4.689 -7.119 -13.561 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.134 -7.760 -12.373 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.559 -7.558 -14.739 1.00 0.00 C ATOM 0 H THR A 29 -3.203 -9.328 -12.728 1.00 0.00 H new ATOM 0 HA THR A 29 -2.967 -7.215 -14.850 1.00 0.00 H new ATOM 0 HB THR A 29 -4.765 -6.039 -13.438 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.431 -7.711 -11.692 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.597 -7.286 -14.546 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.217 -7.063 -15.648 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.484 -8.638 -14.864 1.00 0.00 H new ATOM 363 N VAL A 30 -1.564 -5.820 -13.311 1.00 0.00 N ATOM 364 CA VAL A 30 -0.652 -5.081 -12.392 1.00 0.00 C ATOM 365 C VAL A 30 -1.208 -3.683 -12.126 1.00 0.00 C ATOM 366 O VAL A 30 -1.791 -3.059 -12.990 1.00 0.00 O ATOM 367 CB VAL A 30 0.730 -4.940 -13.032 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.580 -3.981 -12.195 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.415 -6.305 -13.093 1.00 0.00 C ATOM 0 H VAL A 30 -1.539 -5.519 -14.285 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.574 -5.636 -11.457 1.00 0.00 H new ATOM 0 HB VAL A 30 0.621 -4.548 -14.043 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.566 -3.878 -12.648 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.095 -3.005 -12.155 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.685 -4.375 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.399 -6.198 -13.550 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.525 -6.703 -12.084 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.811 -6.989 -13.689 1.00 0.00 H new ATOM 379 N CYS A 31 -1.011 -3.179 -10.942 1.00 0.00 N ATOM 380 CA CYS A 31 -1.504 -1.810 -10.621 1.00 0.00 C ATOM 381 C CYS A 31 -0.394 -1.045 -9.898 1.00 0.00 C ATOM 382 O CYS A 31 -0.349 -0.992 -8.685 1.00 0.00 O ATOM 383 CB CYS A 31 -2.749 -1.883 -9.727 1.00 0.00 C ATOM 384 SG CYS A 31 -3.667 -3.408 -10.063 1.00 0.00 S ATOM 0 H CYS A 31 -0.529 -3.656 -10.180 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.774 -1.297 -11.544 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.455 -1.850 -8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.387 -1.018 -9.907 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.717 -3.459 -9.299 1.00 0.00 H new ATOM 390 N THR A 32 0.508 -0.460 -10.641 1.00 0.00 N ATOM 391 CA THR A 32 1.624 0.299 -10.008 1.00 0.00 C ATOM 392 C THR A 32 1.057 1.528 -9.296 1.00 0.00 C ATOM 393 O THR A 32 0.322 2.308 -9.870 1.00 0.00 O ATOM 394 CB THR A 32 2.614 0.734 -11.090 1.00 0.00 C ATOM 395 OG1 THR A 32 2.659 -0.254 -12.112 1.00 0.00 O ATOM 396 CG2 THR A 32 4.004 0.898 -10.476 1.00 0.00 C ATOM 0 H THR A 32 0.519 -0.476 -11.661 1.00 0.00 H new ATOM 0 HA THR A 32 2.138 -0.331 -9.282 1.00 0.00 H new ATOM 0 HB THR A 32 2.293 1.685 -11.516 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.291 0.023 -12.807 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.708 1.208 -11.248 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.969 1.655 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.328 -0.051 -10.049 1.00 0.00 H new ATOM 404 N VAL A 33 1.373 1.696 -8.041 1.00 0.00 N ATOM 405 CA VAL A 33 0.831 2.861 -7.282 1.00 0.00 C ATOM 406 C VAL A 33 1.914 3.459 -6.375 1.00 0.00 C ATOM 407 O VAL A 33 2.847 2.791 -5.991 1.00 0.00 O ATOM 408 CB VAL A 33 -0.336 2.395 -6.401 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.643 2.960 -6.947 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.423 0.861 -6.379 1.00 0.00 C ATOM 0 H VAL A 33 1.983 1.077 -7.507 1.00 0.00 H new ATOM 0 HA VAL A 33 0.496 3.615 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.166 2.754 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.472 2.629 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.598 4.049 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.794 2.606 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.257 0.553 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.578 0.491 -7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.504 0.450 -5.980 1.00 0.00 H new ATOM 420 N THR A 34 1.780 4.710 -6.002 1.00 0.00 N ATOM 421 CA THR A 34 2.786 5.323 -5.094 1.00 0.00 C ATOM 422 C THR A 34 2.136 5.612 -3.743 1.00 0.00 C ATOM 423 O THR A 34 1.043 6.136 -3.672 1.00 0.00 O ATOM 424 CB THR A 34 3.314 6.635 -5.675 1.00 0.00 C ATOM 425 OG1 THR A 34 2.338 7.216 -6.525 1.00 0.00 O ATOM 426 CG2 THR A 34 4.617 6.391 -6.438 1.00 0.00 C ATOM 0 H THR A 34 1.019 5.326 -6.289 1.00 0.00 H new ATOM 0 HA THR A 34 3.616 4.626 -4.978 1.00 0.00 H new ATOM 0 HB THR A 34 3.520 7.327 -4.858 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.683 8.057 -6.892 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.982 7.334 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.363 5.976 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.436 5.689 -7.252 1.00 0.00 H new ATOM 434 N LEU A 35 2.790 5.270 -2.669 1.00 0.00 N ATOM 435 CA LEU A 35 2.173 5.530 -1.329 1.00 0.00 C ATOM 436 C LEU A 35 3.045 6.459 -0.490 1.00 0.00 C ATOM 437 O LEU A 35 3.578 6.060 0.522 1.00 0.00 O ATOM 438 CB LEU A 35 2.017 4.225 -0.590 1.00 0.00 C ATOM 439 CG LEU A 35 0.726 3.545 -1.032 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.544 2.255 -0.240 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.457 4.482 -0.774 1.00 0.00 C ATOM 0 H LEU A 35 3.710 4.829 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 35 1.204 6.003 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.870 3.576 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.998 4.403 0.485 1.00 0.00 H new ATOM 0 HG LEU A 35 0.775 3.314 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.378 1.764 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.389 1.592 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.490 2.486 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.381 3.997 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.513 4.713 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.320 5.404 -1.338 1.00 0.00 H new ATOM 453 N GLU A 36 3.160 7.688 -0.912 1.00 0.00 N ATOM 454 CA GLU A 36 3.990 8.718 -0.190 1.00 0.00 C ATOM 455 C GLU A 36 4.541 8.176 1.136 1.00 0.00 C ATOM 456 O GLU A 36 3.798 7.845 2.039 1.00 0.00 O ATOM 457 CB GLU A 36 3.130 9.951 0.089 1.00 0.00 C ATOM 458 CG GLU A 36 1.722 9.513 0.494 1.00 0.00 C ATOM 459 CD GLU A 36 1.037 10.646 1.260 1.00 0.00 C ATOM 460 OE1 GLU A 36 1.661 11.679 1.432 1.00 0.00 O ATOM 461 OE2 GLU A 36 -0.100 10.460 1.662 1.00 0.00 O ATOM 0 H GLU A 36 2.702 8.040 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 36 4.836 8.976 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.579 10.548 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.084 10.583 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.141 9.255 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.772 8.618 1.114 1.00 0.00 H new ATOM 468 N LYS A 37 5.839 8.074 1.257 1.00 0.00 N ATOM 469 CA LYS A 37 6.429 7.542 2.523 1.00 0.00 C ATOM 470 C LYS A 37 6.437 8.634 3.596 1.00 0.00 C ATOM 471 O LYS A 37 6.940 9.719 3.389 1.00 0.00 O ATOM 472 CB LYS A 37 7.870 7.091 2.272 1.00 0.00 C ATOM 473 CG LYS A 37 7.890 5.964 1.240 1.00 0.00 C ATOM 474 CD LYS A 37 9.246 5.261 1.277 1.00 0.00 C ATOM 475 CE LYS A 37 9.036 3.749 1.177 1.00 0.00 C ATOM 476 NZ LYS A 37 9.889 3.199 0.085 1.00 0.00 N ATOM 0 H LYS A 37 6.514 8.335 0.538 1.00 0.00 H new ATOM 0 HA LYS A 37 5.828 6.698 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.467 7.931 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.321 6.751 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.093 5.251 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.704 6.366 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.871 5.608 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.770 5.506 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.288 3.273 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.987 3.529 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.811 2.162 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.572 3.581 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.880 3.469 0.249 1.00 0.00 H new ATOM 490 N MET A 38 5.894 8.345 4.747 1.00 0.00 N ATOM 491 CA MET A 38 5.877 9.354 5.843 1.00 0.00 C ATOM 492 C MET A 38 5.894 8.633 7.192 1.00 0.00 C ATOM 493 O MET A 38 6.904 8.572 7.865 1.00 0.00 O ATOM 494 CB MET A 38 4.615 10.208 5.737 1.00 0.00 C ATOM 495 CG MET A 38 4.945 11.524 5.033 1.00 0.00 C ATOM 496 SD MET A 38 3.534 12.041 4.024 1.00 0.00 S ATOM 497 CE MET A 38 2.825 13.206 5.214 1.00 0.00 C ATOM 0 H MET A 38 5.460 7.451 4.976 1.00 0.00 H new ATOM 0 HA MET A 38 6.753 9.997 5.759 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.845 9.671 5.183 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.213 10.406 6.731 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.180 12.293 5.769 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.828 11.402 4.406 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.925 13.654 4.793 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.571 12.678 6.133 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.551 13.989 5.434 1.00 0.00 H new ATOM 507 N SER A 39 4.779 8.081 7.590 1.00 0.00 N ATOM 508 CA SER A 39 4.723 7.360 8.894 1.00 0.00 C ATOM 509 C SER A 39 3.843 6.116 8.749 1.00 0.00 C ATOM 510 O SER A 39 3.029 6.021 7.852 1.00 0.00 O ATOM 511 CB SER A 39 4.130 8.281 9.961 1.00 0.00 C ATOM 512 OG SER A 39 2.748 8.477 9.695 1.00 0.00 O ATOM 0 H SER A 39 3.903 8.099 7.067 1.00 0.00 H new ATOM 0 HA SER A 39 5.729 7.063 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.263 7.844 10.950 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.651 9.238 9.963 1.00 0.00 H new ATOM 0 HG SER A 39 2.364 9.066 10.378 1.00 0.00 H new ATOM 518 N ALA A 40 4.000 5.160 9.626 1.00 0.00 N ATOM 519 CA ALA A 40 3.173 3.921 9.539 1.00 0.00 C ATOM 520 C ALA A 40 3.708 3.021 8.422 1.00 0.00 C ATOM 521 O ALA A 40 3.221 1.929 8.208 1.00 0.00 O ATOM 522 CB ALA A 40 1.720 4.296 9.238 1.00 0.00 C ATOM 0 H ALA A 40 4.665 5.184 10.399 1.00 0.00 H new ATOM 0 HA ALA A 40 3.223 3.388 10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.116 3.391 9.175 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.336 4.933 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.671 4.832 8.290 1.00 0.00 H new ATOM 528 N GLY A 41 4.706 3.468 7.708 1.00 0.00 N ATOM 529 CA GLY A 41 5.268 2.633 6.608 1.00 0.00 C ATOM 530 C GLY A 41 4.241 2.505 5.482 1.00 0.00 C ATOM 531 O GLY A 41 3.478 1.560 5.431 1.00 0.00 O ATOM 0 H GLY A 41 5.156 4.374 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.185 3.084 6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.532 1.646 6.986 1.00 0.00 H new ATOM 535 N LEU A 42 4.224 3.443 4.569 1.00 0.00 N ATOM 536 CA LEU A 42 3.252 3.379 3.427 1.00 0.00 C ATOM 537 C LEU A 42 1.896 2.892 3.917 1.00 0.00 C ATOM 538 O LEU A 42 1.115 2.345 3.164 1.00 0.00 O ATOM 539 CB LEU A 42 3.762 2.421 2.348 1.00 0.00 C ATOM 540 CG LEU A 42 5.234 2.109 2.593 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.673 0.972 1.678 1.00 0.00 C ATOM 542 CD2 LEU A 42 6.068 3.354 2.306 1.00 0.00 C ATOM 0 H LEU A 42 4.842 4.254 4.562 1.00 0.00 H new ATOM 0 HA LEU A 42 3.152 4.380 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.178 1.501 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.634 2.867 1.362 1.00 0.00 H new ATOM 0 HG LEU A 42 5.377 1.809 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.725 0.749 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.075 0.085 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.533 1.267 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.121 3.134 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.927 3.655 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.752 4.163 2.965 1.00 0.00 H new ATOM 554 N GLY A 43 1.608 3.083 5.167 1.00 0.00 N ATOM 555 CA GLY A 43 0.304 2.627 5.700 1.00 0.00 C ATOM 556 C GLY A 43 0.095 1.143 5.389 1.00 0.00 C ATOM 557 O GLY A 43 -0.989 0.626 5.555 1.00 0.00 O ATOM 0 H GLY A 43 2.221 3.536 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.267 2.789 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.502 3.215 5.261 1.00 0.00 H new ATOM 561 N PHE A 44 1.110 0.434 4.954 1.00 0.00 N ATOM 562 CA PHE A 44 0.899 -1.004 4.672 1.00 0.00 C ATOM 563 C PHE A 44 2.130 -1.807 5.077 1.00 0.00 C ATOM 564 O PHE A 44 3.257 -1.361 4.985 1.00 0.00 O ATOM 565 CB PHE A 44 0.563 -1.226 3.189 1.00 0.00 C ATOM 566 CG PHE A 44 1.799 -1.212 2.311 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.775 -2.216 2.420 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.943 -0.209 1.348 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.888 -2.204 1.575 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.051 -0.205 0.500 1.00 0.00 C ATOM 571 CZ PHE A 44 4.023 -1.199 0.613 1.00 0.00 C ATOM 0 H PHE A 44 2.052 0.787 4.788 1.00 0.00 H new ATOM 0 HA PHE A 44 0.051 -1.352 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.049 -2.180 3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.126 -0.451 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.665 -2.998 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.195 0.565 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.643 -2.971 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.156 0.569 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.881 -1.192 -0.043 1.00 0.00 H new ATOM 581 N SER A 45 1.894 -2.998 5.520 1.00 0.00 N ATOM 582 CA SER A 45 2.997 -3.908 5.949 1.00 0.00 C ATOM 583 C SER A 45 3.013 -5.111 5.005 1.00 0.00 C ATOM 584 O SER A 45 1.975 -5.607 4.606 1.00 0.00 O ATOM 585 CB SER A 45 2.742 -4.383 7.380 1.00 0.00 C ATOM 586 OG SER A 45 1.786 -5.435 7.363 1.00 0.00 O ATOM 0 H SER A 45 0.960 -3.398 5.608 1.00 0.00 H new ATOM 0 HA SER A 45 3.954 -3.387 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.672 -4.729 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.379 -3.556 7.991 1.00 0.00 H new ATOM 0 HG SER A 45 1.852 -5.950 8.194 1.00 0.00 H new ATOM 592 N LEU A 46 4.173 -5.568 4.626 1.00 0.00 N ATOM 593 CA LEU A 46 4.246 -6.722 3.677 1.00 0.00 C ATOM 594 C LEU A 46 4.385 -8.046 4.425 1.00 0.00 C ATOM 595 O LEU A 46 5.065 -8.135 5.428 1.00 0.00 O ATOM 596 CB LEU A 46 5.462 -6.541 2.765 1.00 0.00 C ATOM 597 CG LEU A 46 5.023 -6.041 1.386 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.817 -5.106 1.512 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.185 -5.276 0.747 1.00 0.00 C ATOM 0 H LEU A 46 5.073 -5.196 4.929 1.00 0.00 H new ATOM 0 HA LEU A 46 3.325 -6.747 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.158 -5.831 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.993 -7.487 2.664 1.00 0.00 H new ATOM 0 HG LEU A 46 4.742 -6.895 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.519 -4.761 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.988 -5.642 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.084 -4.249 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.885 -4.914 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.454 -4.429 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.044 -5.939 0.643 1.00 0.00 H new ATOM 611 N GLU A 47 3.751 -9.087 3.939 1.00 0.00 N ATOM 612 CA GLU A 47 3.872 -10.404 4.638 1.00 0.00 C ATOM 613 C GLU A 47 4.234 -11.529 3.656 1.00 0.00 C ATOM 614 O GLU A 47 3.629 -11.683 2.614 1.00 0.00 O ATOM 615 CB GLU A 47 2.561 -10.743 5.346 1.00 0.00 C ATOM 616 CG GLU A 47 2.618 -10.217 6.784 1.00 0.00 C ATOM 617 CD GLU A 47 2.838 -8.703 6.771 1.00 0.00 C ATOM 618 OE1 GLU A 47 2.301 -8.052 5.890 1.00 0.00 O ATOM 619 OE2 GLU A 47 3.542 -8.219 7.641 1.00 0.00 O ATOM 0 H GLU A 47 3.165 -9.083 3.104 1.00 0.00 H new ATOM 0 HA GLU A 47 4.674 -10.320 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.720 -10.296 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.401 -11.821 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.691 -10.455 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.425 -10.707 7.329 1.00 0.00 H new ATOM 626 N GLY A 48 5.221 -12.321 4.001 1.00 0.00 N ATOM 627 CA GLY A 48 5.648 -13.452 3.122 1.00 0.00 C ATOM 628 C GLY A 48 7.086 -13.836 3.499 1.00 0.00 C ATOM 629 O GLY A 48 7.385 -14.060 4.654 1.00 0.00 O ATOM 0 H GLY A 48 5.754 -12.229 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.981 -14.305 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.595 -13.159 2.073 1.00 0.00 H new ATOM 633 N GLY A 49 7.981 -13.899 2.544 1.00 0.00 N ATOM 634 CA GLY A 49 9.414 -14.254 2.874 1.00 0.00 C ATOM 635 C GLY A 49 9.492 -15.680 3.425 1.00 0.00 C ATOM 636 O GLY A 49 10.137 -16.544 2.862 1.00 0.00 O ATOM 0 H GLY A 49 7.793 -13.723 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.033 -14.167 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.811 -13.551 3.606 1.00 0.00 H new ATOM 640 N LYS A 50 8.848 -15.929 4.527 1.00 0.00 N ATOM 641 CA LYS A 50 8.880 -17.295 5.123 1.00 0.00 C ATOM 642 C LYS A 50 7.677 -18.095 4.618 1.00 0.00 C ATOM 643 O LYS A 50 6.878 -18.586 5.389 1.00 0.00 O ATOM 644 CB LYS A 50 8.823 -17.192 6.651 1.00 0.00 C ATOM 645 CG LYS A 50 7.521 -16.507 7.075 1.00 0.00 C ATOM 646 CD LYS A 50 7.582 -16.178 8.567 1.00 0.00 C ATOM 647 CE LYS A 50 6.739 -17.189 9.346 1.00 0.00 C ATOM 648 NZ LYS A 50 5.341 -16.687 9.461 1.00 0.00 N ATOM 0 H LYS A 50 8.298 -15.244 5.045 1.00 0.00 H new ATOM 0 HA LYS A 50 9.802 -17.798 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.883 -18.186 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.679 -16.626 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.372 -15.595 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.671 -17.158 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.615 -16.205 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.213 -15.168 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.750 -18.154 8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.163 -17.345 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.768 -17.374 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.339 -15.776 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.938 -16.560 8.511 1.00 0.00 H new ATOM 662 N GLY A 51 7.543 -18.229 3.325 1.00 0.00 N ATOM 663 CA GLY A 51 6.391 -18.995 2.766 1.00 0.00 C ATOM 664 C GLY A 51 6.151 -20.256 3.600 1.00 0.00 C ATOM 665 O GLY A 51 5.302 -20.285 4.469 1.00 0.00 O ATOM 0 H GLY A 51 8.182 -17.841 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.496 -18.373 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.592 -19.266 1.730 1.00 0.00 H new ATOM 669 N SER A 52 6.891 -21.299 3.342 1.00 0.00 N ATOM 670 CA SER A 52 6.702 -22.554 4.123 1.00 0.00 C ATOM 671 C SER A 52 8.024 -23.321 4.183 1.00 0.00 C ATOM 672 O SER A 52 8.838 -23.107 5.060 1.00 0.00 O ATOM 673 CB SER A 52 5.639 -23.421 3.449 1.00 0.00 C ATOM 674 OG SER A 52 4.370 -22.794 3.578 1.00 0.00 O ATOM 0 H SER A 52 7.617 -21.337 2.626 1.00 0.00 H new ATOM 0 HA SER A 52 6.379 -22.307 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.882 -23.562 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.617 -24.410 3.906 1.00 0.00 H new ATOM 0 HG SER A 52 4.477 -21.929 4.026 1.00 0.00 H new ATOM 680 N LEU A 53 8.245 -24.214 3.257 1.00 0.00 N ATOM 681 CA LEU A 53 9.515 -24.994 3.264 1.00 0.00 C ATOM 682 C LEU A 53 10.000 -25.190 1.826 1.00 0.00 C ATOM 683 O LEU A 53 10.906 -25.956 1.567 1.00 0.00 O ATOM 684 CB LEU A 53 9.273 -26.359 3.912 1.00 0.00 C ATOM 685 CG LEU A 53 10.241 -26.546 5.080 1.00 0.00 C ATOM 686 CD1 LEU A 53 11.677 -26.382 4.581 1.00 0.00 C ATOM 687 CD2 LEU A 53 9.950 -25.498 6.156 1.00 0.00 C ATOM 0 H LEU A 53 7.602 -24.437 2.497 1.00 0.00 H new ATOM 0 HA LEU A 53 10.271 -24.452 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.244 -26.429 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.414 -27.152 3.178 1.00 0.00 H new ATOM 0 HG LEU A 53 10.115 -27.543 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.369 -26.515 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.883 -27.129 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.804 -25.385 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.640 -25.631 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.076 -24.500 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.926 -25.615 6.511 1.00 0.00 H new ATOM 699 N HIS A 54 9.404 -24.505 0.888 1.00 0.00 N ATOM 700 CA HIS A 54 9.839 -24.659 -0.530 1.00 0.00 C ATOM 701 C HIS A 54 10.670 -23.442 -0.947 1.00 0.00 C ATOM 702 O HIS A 54 11.410 -23.488 -1.911 1.00 0.00 O ATOM 703 CB HIS A 54 8.607 -24.785 -1.431 1.00 0.00 C ATOM 704 CG HIS A 54 7.781 -25.962 -0.985 1.00 0.00 C ATOM 705 ND1 HIS A 54 6.403 -25.893 -0.848 1.00 0.00 N ATOM 706 CD2 HIS A 54 8.128 -27.245 -0.641 1.00 0.00 C ATOM 707 CE1 HIS A 54 5.976 -27.101 -0.436 1.00 0.00 C ATOM 708 NE2 HIS A 54 6.986 -27.963 -0.295 1.00 0.00 N ATOM 0 H HIS A 54 8.638 -23.848 1.041 1.00 0.00 H new ATOM 0 HA HIS A 54 10.449 -25.557 -0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.014 -23.872 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 54 8.913 -24.914 -2.469 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.134 -27.638 -0.639 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.942 -27.344 -0.243 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.933 -28.937 0.002 1.00 0.00 H new ATOM 716 N GLY A 55 10.567 -22.356 -0.227 1.00 0.00 N ATOM 717 CA GLY A 55 11.372 -21.144 -0.593 1.00 0.00 C ATOM 718 C GLY A 55 10.477 -20.104 -1.274 1.00 0.00 C ATOM 719 O GLY A 55 10.811 -18.938 -1.342 1.00 0.00 O ATOM 0 H GLY A 55 9.968 -22.252 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.826 -20.716 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.187 -21.427 -1.260 1.00 0.00 H new ATOM 723 N ASP A 56 9.347 -20.511 -1.785 1.00 0.00 N ATOM 724 CA ASP A 56 8.446 -19.535 -2.464 1.00 0.00 C ATOM 725 C ASP A 56 7.868 -18.561 -1.432 1.00 0.00 C ATOM 726 O ASP A 56 7.074 -18.933 -0.590 1.00 0.00 O ATOM 727 CB ASP A 56 7.305 -20.285 -3.157 1.00 0.00 C ATOM 728 CG ASP A 56 6.443 -20.994 -2.110 1.00 0.00 C ATOM 729 OD1 ASP A 56 7.009 -21.641 -1.245 1.00 0.00 O ATOM 730 OD2 ASP A 56 5.231 -20.880 -2.193 1.00 0.00 O ATOM 0 H ASP A 56 9.009 -21.473 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 56 9.016 -18.976 -3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.696 -19.588 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.710 -21.012 -3.862 1.00 0.00 H new ATOM 735 N LYS A 57 8.264 -17.317 -1.488 1.00 0.00 N ATOM 736 CA LYS A 57 7.738 -16.321 -0.505 1.00 0.00 C ATOM 737 C LYS A 57 7.243 -15.070 -1.239 1.00 0.00 C ATOM 738 O LYS A 57 7.998 -14.144 -1.454 1.00 0.00 O ATOM 739 CB LYS A 57 8.834 -15.926 0.497 1.00 0.00 C ATOM 740 CG LYS A 57 10.241 -16.218 -0.046 1.00 0.00 C ATOM 741 CD LYS A 57 10.810 -14.953 -0.695 1.00 0.00 C ATOM 742 CE LYS A 57 11.515 -15.318 -2.002 1.00 0.00 C ATOM 743 NZ LYS A 57 11.503 -14.140 -2.918 1.00 0.00 N ATOM 0 H LYS A 57 8.927 -16.947 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 57 6.909 -16.776 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.748 -14.864 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.685 -16.469 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.893 -16.550 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.200 -17.027 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.009 -14.240 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.511 -14.468 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.541 -15.626 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.015 -16.164 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.234 -14.260 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.570 -14.062 -3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.697 -13.275 -2.374 1.00 0.00 H new ATOM 757 N PRO A 58 5.980 -15.076 -1.603 1.00 0.00 N ATOM 758 CA PRO A 58 5.361 -13.943 -2.313 1.00 0.00 C ATOM 759 C PRO A 58 4.955 -12.857 -1.314 1.00 0.00 C ATOM 760 O PRO A 58 3.798 -12.741 -0.960 1.00 0.00 O ATOM 761 CB PRO A 58 4.113 -14.555 -2.951 1.00 0.00 C ATOM 762 CG PRO A 58 3.770 -15.808 -2.113 1.00 0.00 C ATOM 763 CD PRO A 58 5.054 -16.202 -1.352 1.00 0.00 C ATOM 0 HA PRO A 58 6.029 -13.479 -3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.286 -13.845 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.299 -14.821 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.958 -15.597 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.436 -16.623 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.863 -16.331 -0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.462 -17.144 -1.719 1.00 0.00 H new ATOM 771 N LEU A 59 5.885 -12.066 -0.855 1.00 0.00 N ATOM 772 CA LEU A 59 5.527 -10.994 0.120 1.00 0.00 C ATOM 773 C LEU A 59 4.237 -10.314 -0.335 1.00 0.00 C ATOM 774 O LEU A 59 4.142 -9.816 -1.440 1.00 0.00 O ATOM 775 CB LEU A 59 6.642 -9.955 0.169 1.00 0.00 C ATOM 776 CG LEU A 59 7.557 -10.225 1.364 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.723 -11.115 0.928 1.00 0.00 C ATOM 778 CD2 LEU A 59 8.102 -8.895 1.886 1.00 0.00 C ATOM 0 H LEU A 59 6.872 -12.113 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 59 5.391 -11.433 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.219 -9.985 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.215 -8.955 0.246 1.00 0.00 H new ATOM 0 HG LEU A 59 6.994 -10.729 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.374 -11.306 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.337 -12.060 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.290 -10.613 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.756 -9.079 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.666 -8.398 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.273 -8.258 2.195 1.00 0.00 H new ATOM 790 N THR A 60 3.240 -10.300 0.499 1.00 0.00 N ATOM 791 CA THR A 60 1.954 -9.666 0.106 1.00 0.00 C ATOM 792 C THR A 60 1.503 -8.697 1.217 1.00 0.00 C ATOM 793 O THR A 60 1.921 -8.833 2.350 1.00 0.00 O ATOM 794 CB THR A 60 0.925 -10.774 -0.078 1.00 0.00 C ATOM 795 OG1 THR A 60 1.150 -11.775 0.903 1.00 0.00 O ATOM 796 CG2 THR A 60 1.105 -11.355 -1.472 1.00 0.00 C ATOM 0 H THR A 60 3.259 -10.700 1.437 1.00 0.00 H new ATOM 0 HA THR A 60 2.064 -9.103 -0.821 1.00 0.00 H new ATOM 0 HB THR A 60 -0.089 -10.391 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.492 -12.493 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.379 -12.152 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.952 -10.572 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.113 -11.757 -1.571 1.00 0.00 H new ATOM 804 N ILE A 61 0.663 -7.717 0.937 1.00 0.00 N ATOM 805 CA ILE A 61 0.247 -6.794 2.028 1.00 0.00 C ATOM 806 C ILE A 61 -0.764 -7.468 2.942 1.00 0.00 C ATOM 807 O ILE A 61 -1.822 -7.901 2.529 1.00 0.00 O ATOM 808 CB ILE A 61 -0.388 -5.549 1.450 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.670 -4.701 0.758 1.00 0.00 C ATOM 810 CG2 ILE A 61 -1.004 -4.734 2.574 1.00 0.00 C ATOM 811 CD1 ILE A 61 -0.010 -3.562 -0.006 1.00 0.00 C ATOM 0 H ILE A 61 0.261 -7.527 0.019 1.00 0.00 H new ATOM 0 HA ILE A 61 1.138 -6.528 2.597 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.153 -5.841 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.365 -4.296 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.253 -5.316 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.463 -3.835 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.763 -5.329 3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.228 -4.452 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.747 -2.954 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.688 -3.978 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.574 -2.942 0.691 1.00 0.00 H new ATOM 823 N ASN A 62 -0.433 -7.536 4.184 1.00 0.00 N ATOM 824 CA ASN A 62 -1.365 -8.168 5.180 1.00 0.00 C ATOM 825 C ASN A 62 -2.063 -7.113 6.052 1.00 0.00 C ATOM 826 O ASN A 62 -3.255 -7.181 6.279 1.00 0.00 O ATOM 827 CB ASN A 62 -0.595 -9.120 6.095 1.00 0.00 C ATOM 828 CG ASN A 62 -0.521 -10.506 5.453 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.519 -10.610 4.153 1.00 0.00 O flip ATOM 830 ND2 ASN A 62 -0.466 -11.505 6.142 1.00 0.00 N flip ATOM 0 H ASN A 62 0.442 -7.185 4.572 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.119 -8.713 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.410 -8.736 6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.087 -9.184 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.468 -11.424 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.418 -12.425 5.704 1.00 0.00 H new ATOM 837 N ARG A 63 -1.337 -6.162 6.567 1.00 0.00 N ATOM 838 CA ARG A 63 -1.967 -5.135 7.447 1.00 0.00 C ATOM 839 C ARG A 63 -1.917 -3.764 6.777 1.00 0.00 C ATOM 840 O ARG A 63 -0.894 -3.111 6.746 1.00 0.00 O ATOM 841 CB ARG A 63 -1.212 -5.071 8.778 1.00 0.00 C ATOM 842 CG ARG A 63 -2.132 -5.524 9.913 1.00 0.00 C ATOM 843 CD ARG A 63 -1.454 -5.251 11.257 1.00 0.00 C ATOM 844 NE ARG A 63 -0.920 -6.526 11.812 1.00 0.00 N ATOM 845 CZ ARG A 63 0.230 -6.537 12.427 1.00 0.00 C ATOM 846 NH1 ARG A 63 1.263 -5.948 11.891 1.00 0.00 N ATOM 847 NH2 ARG A 63 0.346 -7.137 13.580 1.00 0.00 N ATOM 0 H ARG A 63 -0.334 -6.050 6.418 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.007 -5.411 7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.328 -5.707 8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.865 -4.054 8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.083 -4.994 9.859 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.353 -6.587 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.646 -4.531 11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.167 -4.809 11.953 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.453 -7.390 11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.172 -5.478 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.162 -5.957 12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.462 -7.597 13.999 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.245 -7.146 14.062 1.00 0.00 H new ATOM 861 N ILE A 64 -3.021 -3.322 6.244 1.00 0.00 N ATOM 862 CA ILE A 64 -3.042 -1.993 5.580 1.00 0.00 C ATOM 863 C ILE A 64 -3.697 -0.962 6.484 1.00 0.00 C ATOM 864 O ILE A 64 -4.633 -1.242 7.206 1.00 0.00 O ATOM 865 CB ILE A 64 -3.804 -2.084 4.264 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.995 -2.986 3.343 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.953 -0.687 3.648 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.026 -2.478 1.899 1.00 0.00 C ATOM 0 H ILE A 64 -3.909 -3.824 6.240 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.016 -1.684 5.381 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.805 -2.488 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.963 -3.034 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.392 -4.000 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.499 -0.760 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.500 -0.043 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.966 -0.264 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.439 -3.144 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.056 -2.454 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.605 -1.473 1.858 1.00 0.00 H new ATOM 880 N PHE A 65 -3.194 0.231 6.443 1.00 0.00 N ATOM 881 CA PHE A 65 -3.756 1.317 7.294 1.00 0.00 C ATOM 882 C PHE A 65 -4.475 2.339 6.410 1.00 0.00 C ATOM 883 O PHE A 65 -4.377 2.303 5.199 1.00 0.00 O ATOM 884 CB PHE A 65 -2.618 2.003 8.053 1.00 0.00 C ATOM 885 CG PHE A 65 -1.665 0.948 8.590 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.138 -0.341 8.888 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.309 1.253 8.784 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.257 -1.319 9.378 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.569 0.272 9.277 1.00 0.00 C ATOM 890 CZ PHE A 65 0.092 -1.010 9.572 1.00 0.00 C ATOM 0 H PHE A 65 -2.410 0.509 5.852 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.466 0.895 8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.086 2.688 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.019 2.598 8.873 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.181 -0.580 8.740 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.060 2.242 8.554 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.622 -2.310 9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.612 0.508 9.428 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.768 -1.762 9.951 1.00 0.00 H new ATOM 900 N LYS A 66 -5.193 3.255 7.002 1.00 0.00 N ATOM 901 CA LYS A 66 -5.910 4.280 6.182 1.00 0.00 C ATOM 902 C LYS A 66 -5.151 5.606 6.240 1.00 0.00 C ATOM 903 O LYS A 66 -4.715 6.039 7.287 1.00 0.00 O ATOM 904 CB LYS A 66 -7.336 4.487 6.708 1.00 0.00 C ATOM 905 CG LYS A 66 -8.289 4.646 5.523 1.00 0.00 C ATOM 906 CD LYS A 66 -9.736 4.641 6.022 1.00 0.00 C ATOM 907 CE LYS A 66 -10.074 3.267 6.601 1.00 0.00 C ATOM 908 NZ LYS A 66 -11.543 3.036 6.499 1.00 0.00 N ATOM 0 H LYS A 66 -5.315 3.340 8.011 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.961 3.929 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.637 3.638 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.377 5.371 7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.079 5.577 4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.137 3.836 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.872 5.410 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.415 4.879 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.534 2.489 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.757 3.211 7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.776 2.102 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.048 3.772 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.832 3.073 5.501 1.00 0.00 H new ATOM 922 N GLY A 67 -4.990 6.253 5.117 1.00 0.00 N ATOM 923 CA GLY A 67 -4.261 7.552 5.099 1.00 0.00 C ATOM 924 C GLY A 67 -3.111 7.482 4.094 1.00 0.00 C ATOM 925 O GLY A 67 -2.725 8.474 3.507 1.00 0.00 O ATOM 0 H GLY A 67 -5.333 5.936 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.943 8.359 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.875 7.778 6.093 1.00 0.00 H new ATOM 929 N ALA A 68 -2.556 6.317 3.889 1.00 0.00 N ATOM 930 CA ALA A 68 -1.430 6.189 2.921 1.00 0.00 C ATOM 931 C ALA A 68 -1.978 6.194 1.492 1.00 0.00 C ATOM 932 O ALA A 68 -2.291 5.163 0.932 1.00 0.00 O ATOM 933 CB ALA A 68 -0.679 4.880 3.177 1.00 0.00 C ATOM 0 H ALA A 68 -2.834 5.450 4.350 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.747 7.029 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.144 4.788 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.285 4.880 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.361 4.039 3.052 1.00 0.00 H new ATOM 939 N ALA A 69 -2.096 7.352 0.900 1.00 0.00 N ATOM 940 CA ALA A 69 -2.621 7.432 -0.491 1.00 0.00 C ATOM 941 C ALA A 69 -2.616 8.892 -0.946 1.00 0.00 C ATOM 942 O ALA A 69 -2.578 9.802 -0.141 1.00 0.00 O ATOM 943 CB ALA A 69 -4.052 6.891 -0.530 1.00 0.00 C ATOM 0 H ALA A 69 -1.850 8.248 1.322 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.992 6.838 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.436 6.950 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.057 5.852 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.684 7.485 0.131 1.00 0.00 H new ATOM 949 N SER A 70 -2.652 9.129 -2.228 1.00 0.00 N ATOM 950 CA SER A 70 -2.647 10.533 -2.723 1.00 0.00 C ATOM 951 C SER A 70 -2.952 10.550 -4.223 1.00 0.00 C ATOM 952 O SER A 70 -2.518 11.428 -4.943 1.00 0.00 O ATOM 953 CB SER A 70 -1.272 11.152 -2.472 1.00 0.00 C ATOM 954 OG SER A 70 -1.169 12.374 -3.192 1.00 0.00 O ATOM 0 H SER A 70 -2.685 8.412 -2.953 1.00 0.00 H new ATOM 0 HA SER A 70 -3.408 11.108 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.130 11.331 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.488 10.464 -2.787 1.00 0.00 H new ATOM 0 HG SER A 70 -1.307 12.204 -4.147 1.00 0.00 H new ATOM 960 N GLU A 71 -3.693 9.588 -4.702 1.00 0.00 N ATOM 961 CA GLU A 71 -4.019 9.555 -6.152 1.00 0.00 C ATOM 962 C GLU A 71 -5.460 9.080 -6.342 1.00 0.00 C ATOM 963 O GLU A 71 -6.198 9.604 -7.151 1.00 0.00 O ATOM 964 CB GLU A 71 -3.063 8.598 -6.864 1.00 0.00 C ATOM 965 CG GLU A 71 -3.412 8.549 -8.349 1.00 0.00 C ATOM 966 CD GLU A 71 -2.127 8.589 -9.179 1.00 0.00 C ATOM 967 OE1 GLU A 71 -1.193 9.249 -8.755 1.00 0.00 O ATOM 968 OE2 GLU A 71 -2.101 7.960 -10.223 1.00 0.00 O ATOM 0 H GLU A 71 -4.085 8.825 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.912 10.555 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.033 8.929 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.136 7.602 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.973 7.641 -8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.052 9.391 -8.611 1.00 0.00 H new ATOM 975 N GLN A 72 -5.861 8.092 -5.597 1.00 0.00 N ATOM 976 CA GLN A 72 -7.255 7.573 -5.721 1.00 0.00 C ATOM 977 C GLN A 72 -7.625 6.795 -4.455 1.00 0.00 C ATOM 978 O GLN A 72 -6.815 6.614 -3.569 1.00 0.00 O ATOM 979 CB GLN A 72 -7.352 6.645 -6.937 1.00 0.00 C ATOM 980 CG GLN A 72 -6.649 5.320 -6.632 1.00 0.00 C ATOM 981 CD GLN A 72 -5.979 4.790 -7.902 1.00 0.00 C ATOM 982 OE1 GLN A 72 -4.831 5.089 -8.167 1.00 0.00 O ATOM 983 NE2 GLN A 72 -6.652 4.010 -8.705 1.00 0.00 N ATOM 0 H GLN A 72 -5.283 7.617 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.942 8.410 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.398 6.464 -7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.895 7.119 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.905 5.464 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.369 4.592 -6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.615 3.759 -8.483 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.214 3.652 -9.554 1.00 0.00 H new ATOM 992 N SER A 73 -8.844 6.333 -4.362 1.00 0.00 N ATOM 993 CA SER A 73 -9.258 5.568 -3.154 1.00 0.00 C ATOM 994 C SER A 73 -8.950 4.083 -3.357 1.00 0.00 C ATOM 995 O SER A 73 -9.717 3.221 -2.977 1.00 0.00 O ATOM 996 CB SER A 73 -10.759 5.751 -2.918 1.00 0.00 C ATOM 997 OG SER A 73 -11.201 6.921 -3.595 1.00 0.00 O ATOM 0 H SER A 73 -9.568 6.453 -5.070 1.00 0.00 H new ATOM 0 HA SER A 73 -8.708 5.937 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.305 4.879 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.964 5.835 -1.851 1.00 0.00 H new ATOM 0 HG SER A 73 -12.162 7.041 -3.448 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.830 3.776 -3.955 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.473 2.352 -4.183 1.00 0.00 C ATOM 1005 C GLU A 74 -5.967 2.244 -4.440 1.00 0.00 C ATOM 1006 O GLU A 74 -5.526 1.572 -5.351 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.243 1.827 -5.395 1.00 0.00 C ATOM 1008 CG GLU A 74 -7.779 0.408 -5.713 1.00 0.00 C ATOM 1009 CD GLU A 74 -8.932 -0.383 -6.330 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -9.739 -0.903 -5.575 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -8.990 -0.457 -7.545 1.00 0.00 O ATOM 0 H GLU A 74 -7.148 4.454 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.733 1.760 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.314 1.834 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.078 2.477 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.935 0.437 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.432 -0.084 -4.804 1.00 0.00 H new ATOM 1018 N THR A 75 -5.173 2.908 -3.642 1.00 0.00 N ATOM 1019 CA THR A 75 -3.699 2.848 -3.840 1.00 0.00 C ATOM 1020 C THR A 75 -3.116 1.722 -2.992 1.00 0.00 C ATOM 1021 O THR A 75 -1.958 1.732 -2.625 1.00 0.00 O ATOM 1022 CB THR A 75 -3.082 4.182 -3.426 1.00 0.00 C ATOM 1023 OG1 THR A 75 -3.322 4.409 -2.042 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.720 5.297 -4.251 1.00 0.00 C ATOM 0 H THR A 75 -5.483 3.488 -2.863 1.00 0.00 H new ATOM 0 HA THR A 75 -3.476 2.656 -4.889 1.00 0.00 H new ATOM 0 HB THR A 75 -2.006 4.164 -3.601 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.265 4.639 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.287 6.255 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.535 5.118 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.795 5.315 -4.069 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.918 0.748 -2.692 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.439 -0.403 -1.877 1.00 0.00 C ATOM 1034 C VAL A 76 -4.298 -1.624 -2.198 1.00 0.00 C ATOM 1035 O VAL A 76 -5.361 -1.513 -2.776 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.544 -0.087 -0.379 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.164 0.291 0.159 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.513 1.078 -0.151 1.00 0.00 C ATOM 0 H VAL A 76 -4.896 0.696 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.394 -0.599 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.916 -0.968 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.237 0.516 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.475 -0.541 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.794 1.168 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.579 1.293 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.151 1.961 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.500 0.810 -0.529 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.845 -2.789 -1.837 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.636 -4.013 -2.133 1.00 0.00 C ATOM 1050 C GLN A 77 -4.355 -5.064 -1.048 1.00 0.00 C ATOM 1051 O GLN A 77 -3.242 -5.173 -0.571 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.241 -4.551 -3.513 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.757 -4.270 -3.782 1.00 0.00 C ATOM 1054 CD GLN A 77 -2.529 -2.784 -4.101 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -3.406 -2.123 -4.809 1.00 0.00 O flip ATOM 1056 NE2 GLN A 77 -1.534 -2.217 -3.696 1.00 0.00 N flip ATOM 0 H GLN A 77 -2.963 -2.947 -1.350 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.701 -3.781 -2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.431 -5.623 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.854 -4.083 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.165 -4.554 -2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.412 -4.882 -4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.846 -2.727 -3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.387 -1.230 -3.909 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.380 -5.788 -0.667 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.281 -6.817 0.389 1.00 0.00 C ATOM 1067 C PRO A 78 -4.681 -8.127 -0.137 1.00 0.00 C ATOM 1068 O PRO A 78 -5.173 -8.716 -1.079 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.737 -7.029 0.812 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.612 -6.567 -0.379 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.732 -5.650 -1.248 1.00 0.00 C ATOM 0 HA PRO A 78 -4.627 -6.508 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.924 -8.077 1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.968 -6.455 1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.965 -7.423 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.495 -6.034 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.749 -5.956 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.077 -4.617 -1.213 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.632 -8.601 0.487 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.010 -9.898 0.041 1.00 0.00 C ATOM 1081 C GLY A 79 -2.467 -9.771 -1.384 1.00 0.00 C ATOM 1082 O GLY A 79 -2.225 -10.760 -2.049 1.00 0.00 O ATOM 0 H GLY A 79 -3.177 -8.153 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.203 -10.174 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.750 -10.697 0.084 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.265 -8.576 -1.865 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.733 -8.427 -3.246 1.00 0.00 C ATOM 1088 C ASP A 80 -0.272 -8.917 -3.265 1.00 0.00 C ATOM 1089 O ASP A 80 0.437 -8.785 -2.287 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.835 -6.947 -3.662 1.00 0.00 C ATOM 1091 CG ASP A 80 -0.494 -6.237 -3.478 1.00 0.00 C ATOM 1092 OD1 ASP A 80 0.391 -6.486 -4.278 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -0.376 -5.464 -2.540 1.00 0.00 O ATOM 0 H ASP A 80 -2.444 -7.704 -1.366 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.308 -9.022 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.148 -6.878 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.600 -6.449 -3.066 1.00 0.00 H new ATOM 1098 N GLU A 81 0.191 -9.484 -4.355 1.00 0.00 N ATOM 1099 CA GLU A 81 1.615 -9.974 -4.374 1.00 0.00 C ATOM 1100 C GLU A 81 2.561 -8.835 -4.790 1.00 0.00 C ATOM 1101 O GLU A 81 3.216 -8.909 -5.811 1.00 0.00 O ATOM 1102 CB GLU A 81 1.773 -11.144 -5.362 1.00 0.00 C ATOM 1103 CG GLU A 81 2.885 -12.075 -4.871 1.00 0.00 C ATOM 1104 CD GLU A 81 3.688 -12.590 -6.068 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.278 -13.582 -6.650 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.700 -11.985 -6.382 1.00 0.00 O ATOM 0 H GLU A 81 -0.338 -9.628 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 81 1.869 -10.315 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.835 -11.692 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.012 -10.766 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.541 -11.543 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.456 -12.912 -4.321 1.00 0.00 H new ATOM 1113 N ILE A 82 2.650 -7.786 -4.008 1.00 0.00 N ATOM 1114 CA ILE A 82 3.575 -6.654 -4.374 1.00 0.00 C ATOM 1115 C ILE A 82 5.006 -7.191 -4.540 1.00 0.00 C ATOM 1116 O ILE A 82 5.525 -7.843 -3.660 1.00 0.00 O ATOM 1117 CB ILE A 82 3.576 -5.600 -3.257 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.142 -5.179 -2.942 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.360 -4.377 -3.718 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.151 -3.967 -2.007 1.00 0.00 C ATOM 0 H ILE A 82 2.130 -7.660 -3.140 1.00 0.00 H new ATOM 0 HA ILE A 82 3.232 -6.206 -5.306 1.00 0.00 H new ATOM 0 HB ILE A 82 4.037 -6.024 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.614 -4.935 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.605 -6.005 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.362 -3.627 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.386 -4.667 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.893 -3.961 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.126 -3.671 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.662 -4.226 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.672 -3.140 -2.489 1.00 0.00 H new ATOM 1132 N LEU A 83 5.653 -6.943 -5.659 1.00 0.00 N ATOM 1133 CA LEU A 83 7.049 -7.467 -5.832 1.00 0.00 C ATOM 1134 C LEU A 83 8.097 -6.462 -5.317 1.00 0.00 C ATOM 1135 O LEU A 83 9.097 -6.853 -4.751 1.00 0.00 O ATOM 1136 CB LEU A 83 7.329 -7.742 -7.305 1.00 0.00 C ATOM 1137 CG LEU A 83 6.605 -9.016 -7.742 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.147 -8.694 -8.071 1.00 0.00 C ATOM 1139 CD2 LEU A 83 7.295 -9.585 -8.984 1.00 0.00 C ATOM 0 H LEU A 83 5.283 -6.410 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 83 7.123 -8.387 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.998 -6.899 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.402 -7.849 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 83 6.637 -9.748 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.635 -9.604 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.656 -8.285 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.109 -7.963 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.783 -10.494 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.260 -8.850 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.334 -9.817 -8.749 1.00 0.00 H new ATOM 1151 N GLN A 84 7.911 -5.179 -5.512 1.00 0.00 N ATOM 1152 CA GLN A 84 8.939 -4.217 -5.021 1.00 0.00 C ATOM 1153 C GLN A 84 8.279 -2.881 -4.667 1.00 0.00 C ATOM 1154 O GLN A 84 7.289 -2.485 -5.250 1.00 0.00 O ATOM 1155 CB GLN A 84 10.039 -4.038 -6.094 1.00 0.00 C ATOM 1156 CG GLN A 84 9.969 -2.650 -6.752 1.00 0.00 C ATOM 1157 CD GLN A 84 10.700 -2.683 -8.097 1.00 0.00 C ATOM 1158 OE1 GLN A 84 11.532 -3.538 -8.328 1.00 0.00 O ATOM 1159 NE2 GLN A 84 10.428 -1.779 -8.998 1.00 0.00 N ATOM 0 H GLN A 84 7.106 -4.764 -5.982 1.00 0.00 H new ATOM 0 HA GLN A 84 9.406 -4.608 -4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.019 -4.176 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.932 -4.809 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.929 -2.358 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.421 -1.903 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.730 -1.061 -8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.914 -1.791 -9.895 1.00 0.00 H new ATOM 1168 N LEU A 85 8.831 -2.190 -3.710 1.00 0.00 N ATOM 1169 CA LEU A 85 8.262 -0.880 -3.297 1.00 0.00 C ATOM 1170 C LEU A 85 9.189 0.237 -3.777 1.00 0.00 C ATOM 1171 O LEU A 85 10.254 -0.012 -4.306 1.00 0.00 O ATOM 1172 CB LEU A 85 8.166 -0.839 -1.770 1.00 0.00 C ATOM 1173 CG LEU A 85 6.930 -1.611 -1.303 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.832 -2.935 -2.059 1.00 0.00 C ATOM 1175 CD2 LEU A 85 7.046 -1.894 0.195 1.00 0.00 C ATOM 0 H LEU A 85 9.660 -2.481 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 85 7.271 -0.748 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.064 -1.272 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.110 0.195 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 85 6.038 -1.015 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.951 -3.481 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.752 -2.738 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.724 -3.531 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.167 -2.444 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.940 -2.488 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.114 -0.952 0.739 1.00 0.00 H new ATOM 1187 N GLY A 86 8.797 1.464 -3.594 1.00 0.00 N ATOM 1188 CA GLY A 86 9.658 2.593 -4.036 1.00 0.00 C ATOM 1189 C GLY A 86 11.113 2.333 -3.637 1.00 0.00 C ATOM 1190 O GLY A 86 12.027 2.864 -4.238 1.00 0.00 O ATOM 0 H GLY A 86 7.916 1.735 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.585 2.714 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.310 3.523 -3.587 1.00 0.00 H new ATOM 1194 N GLY A 87 11.348 1.530 -2.630 1.00 0.00 N ATOM 1195 CA GLY A 87 12.770 1.269 -2.220 1.00 0.00 C ATOM 1196 C GLY A 87 12.906 -0.113 -1.568 1.00 0.00 C ATOM 1197 O GLY A 87 13.442 -0.244 -0.485 1.00 0.00 O ATOM 0 H GLY A 87 10.635 1.050 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.421 1.330 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.099 2.039 -1.522 1.00 0.00 H new ATOM 1201 N THR A 88 12.459 -1.147 -2.229 1.00 0.00 N ATOM 1202 CA THR A 88 12.600 -2.514 -1.665 1.00 0.00 C ATOM 1203 C THR A 88 12.043 -3.524 -2.670 1.00 0.00 C ATOM 1204 O THR A 88 11.122 -3.244 -3.412 1.00 0.00 O ATOM 1205 CB THR A 88 11.854 -2.653 -0.314 1.00 0.00 C ATOM 1206 OG1 THR A 88 12.502 -3.660 0.451 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.391 -3.065 -0.535 1.00 0.00 C ATOM 0 H THR A 88 12.001 -1.100 -3.139 1.00 0.00 H new ATOM 0 HA THR A 88 13.657 -2.705 -1.480 1.00 0.00 H new ATOM 0 HB THR A 88 11.870 -1.693 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.006 -3.808 1.283 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.889 -3.156 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.887 -2.309 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.357 -4.023 -1.054 1.00 0.00 H new ATOM 1215 N ALA A 89 12.584 -4.694 -2.679 1.00 0.00 N ATOM 1216 CA ALA A 89 12.094 -5.742 -3.596 1.00 0.00 C ATOM 1217 C ALA A 89 11.954 -7.037 -2.802 1.00 0.00 C ATOM 1218 O ALA A 89 12.903 -7.524 -2.219 1.00 0.00 O ATOM 1219 CB ALA A 89 13.088 -5.912 -4.720 1.00 0.00 C ATOM 0 H ALA A 89 13.360 -4.976 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 89 11.128 -5.472 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.736 -6.684 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.192 -4.970 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.055 -6.204 -4.310 1.00 0.00 H new ATOM 1225 N MET A 90 10.774 -7.584 -2.742 1.00 0.00 N ATOM 1226 CA MET A 90 10.590 -8.831 -1.939 1.00 0.00 C ATOM 1227 C MET A 90 11.226 -10.031 -2.641 1.00 0.00 C ATOM 1228 O MET A 90 11.360 -11.087 -2.057 1.00 0.00 O ATOM 1229 CB MET A 90 9.105 -9.121 -1.666 1.00 0.00 C ATOM 1230 CG MET A 90 8.208 -8.578 -2.782 1.00 0.00 C ATOM 1231 SD MET A 90 7.729 -6.872 -2.392 1.00 0.00 S ATOM 1232 CE MET A 90 6.338 -7.265 -1.308 1.00 0.00 C ATOM 0 H MET A 90 9.937 -7.231 -3.206 1.00 0.00 H new ATOM 0 HA MET A 90 11.088 -8.669 -0.983 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.956 -10.196 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.815 -8.673 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.735 -8.611 -3.736 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.320 -9.202 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.644 -6.425 -1.288 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.825 -8.151 -1.681 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.705 -7.456 -0.300 1.00 0.00 H new ATOM 1242 N GLN A 91 11.656 -9.895 -3.868 1.00 0.00 N ATOM 1243 CA GLN A 91 12.308 -11.068 -4.521 1.00 0.00 C ATOM 1244 C GLN A 91 13.677 -11.259 -3.843 1.00 0.00 C ATOM 1245 O GLN A 91 14.230 -10.304 -3.336 1.00 0.00 O ATOM 1246 CB GLN A 91 12.472 -10.827 -6.031 1.00 0.00 C ATOM 1247 CG GLN A 91 11.259 -11.392 -6.792 1.00 0.00 C ATOM 1248 CD GLN A 91 11.713 -11.915 -8.155 1.00 0.00 C ATOM 1249 OE1 GLN A 91 11.645 -11.211 -9.142 1.00 0.00 O ATOM 1250 NE2 GLN A 91 12.175 -13.132 -8.253 1.00 0.00 N ATOM 0 H GLN A 91 11.588 -9.048 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 91 11.697 -11.963 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.570 -9.759 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.387 -11.302 -6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.797 -12.195 -6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.503 -10.617 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.232 -13.724 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.479 -13.491 -9.158 1.00 0.00 H new ATOM 1259 N GLY A 92 14.236 -12.457 -3.795 1.00 0.00 N ATOM 1260 CA GLY A 92 15.549 -12.612 -3.103 1.00 0.00 C ATOM 1261 C GLY A 92 15.510 -11.814 -1.794 1.00 0.00 C ATOM 1262 O GLY A 92 16.463 -11.155 -1.427 1.00 0.00 O ATOM 0 H GLY A 92 13.844 -13.308 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.747 -13.664 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.357 -12.254 -3.741 1.00 0.00 H new ATOM 1266 N LEU A 93 14.401 -11.856 -1.096 1.00 0.00 N ATOM 1267 CA LEU A 93 14.274 -11.098 0.169 1.00 0.00 C ATOM 1268 C LEU A 93 13.185 -11.754 1.017 1.00 0.00 C ATOM 1269 O LEU A 93 12.241 -12.322 0.505 1.00 0.00 O ATOM 1270 CB LEU A 93 13.881 -9.649 -0.145 1.00 0.00 C ATOM 1271 CG LEU A 93 15.133 -8.769 -0.177 1.00 0.00 C ATOM 1272 CD1 LEU A 93 14.723 -7.303 -0.331 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.916 -8.944 1.127 1.00 0.00 C ATOM 0 H LEU A 93 13.574 -12.392 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 93 15.220 -11.102 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.367 -9.602 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.185 -9.280 0.608 1.00 0.00 H new ATOM 0 HG LEU A 93 15.760 -9.062 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.615 -6.676 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.167 -7.176 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.095 -7.010 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.807 -8.317 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.289 -8.652 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.210 -9.988 1.238 1.00 0.00 H new ATOM 1285 N THR A 94 13.316 -11.688 2.305 1.00 0.00 N ATOM 1286 CA THR A 94 12.297 -12.313 3.199 1.00 0.00 C ATOM 1287 C THR A 94 11.191 -11.301 3.508 1.00 0.00 C ATOM 1288 O THR A 94 11.084 -10.272 2.870 1.00 0.00 O ATOM 1289 CB THR A 94 12.966 -12.753 4.503 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.378 -12.714 4.346 1.00 0.00 O ATOM 1291 CG2 THR A 94 12.529 -14.177 4.849 1.00 0.00 C ATOM 0 H THR A 94 14.088 -11.226 2.786 1.00 0.00 H new ATOM 0 HA THR A 94 11.862 -13.180 2.701 1.00 0.00 H new ATOM 0 HB THR A 94 12.670 -12.080 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.805 -13.142 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.007 -14.489 5.778 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.446 -14.206 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.822 -14.853 4.046 1.00 0.00 H new ATOM 1299 N ARG A 95 10.362 -11.582 4.481 1.00 0.00 N ATOM 1300 CA ARG A 95 9.263 -10.615 4.816 1.00 0.00 C ATOM 1301 C ARG A 95 9.827 -9.464 5.655 1.00 0.00 C ATOM 1302 O ARG A 95 9.830 -8.325 5.234 1.00 0.00 O ATOM 1303 CB ARG A 95 8.121 -11.312 5.592 1.00 0.00 C ATOM 1304 CG ARG A 95 7.032 -10.299 5.962 1.00 0.00 C ATOM 1305 CD ARG A 95 7.496 -9.423 7.127 1.00 0.00 C ATOM 1306 NE ARG A 95 6.355 -9.168 8.050 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.541 -8.466 9.134 1.00 0.00 C ATOM 1308 NH1 ARG A 95 7.436 -7.516 9.148 1.00 0.00 N ATOM 1309 NH2 ARG A 95 5.837 -8.714 10.203 1.00 0.00 N ATOM 0 H ARG A 95 10.393 -12.426 5.053 1.00 0.00 H new ATOM 0 HA ARG A 95 8.855 -10.227 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.694 -12.110 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.517 -11.776 6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.798 -9.675 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.116 -10.823 6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.307 -9.915 7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.889 -8.479 6.750 1.00 0.00 H new ATOM 0 HE ARG A 95 5.430 -9.541 7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.989 -7.323 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.583 -6.966 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.139 -9.458 10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.984 -8.164 11.049 1.00 0.00 H new ATOM 1323 N PHE A 96 10.292 -9.741 6.845 1.00 0.00 N ATOM 1324 CA PHE A 96 10.833 -8.649 7.700 1.00 0.00 C ATOM 1325 C PHE A 96 11.997 -7.964 6.988 1.00 0.00 C ATOM 1326 O PHE A 96 12.167 -6.765 7.075 1.00 0.00 O ATOM 1327 CB PHE A 96 11.320 -9.232 9.028 1.00 0.00 C ATOM 1328 CG PHE A 96 10.197 -9.192 10.038 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.273 -10.241 10.099 1.00 0.00 C ATOM 1330 CD2 PHE A 96 10.083 -8.106 10.914 1.00 0.00 C ATOM 1331 CE1 PHE A 96 8.233 -10.204 11.036 1.00 0.00 C ATOM 1332 CE2 PHE A 96 9.044 -8.069 11.851 1.00 0.00 C ATOM 1333 CZ PHE A 96 8.119 -9.119 11.913 1.00 0.00 C ATOM 0 H PHE A 96 10.320 -10.673 7.259 1.00 0.00 H new ATOM 0 HA PHE A 96 10.046 -7.919 7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.658 -10.258 8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.174 -8.663 9.395 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.362 -11.079 9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.797 -7.297 10.867 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.519 -11.013 11.082 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.955 -7.231 12.526 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.318 -9.091 12.637 1.00 0.00 H new ATOM 1343 N GLU A 97 12.803 -8.708 6.284 1.00 0.00 N ATOM 1344 CA GLU A 97 13.950 -8.083 5.577 1.00 0.00 C ATOM 1345 C GLU A 97 13.435 -7.070 4.559 1.00 0.00 C ATOM 1346 O GLU A 97 13.914 -5.959 4.489 1.00 0.00 O ATOM 1347 CB GLU A 97 14.772 -9.158 4.864 1.00 0.00 C ATOM 1348 CG GLU A 97 15.150 -10.260 5.858 1.00 0.00 C ATOM 1349 CD GLU A 97 16.292 -9.773 6.751 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.340 -9.450 6.216 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.099 -9.731 7.955 1.00 0.00 O ATOM 0 H GLU A 97 12.716 -9.718 6.169 1.00 0.00 H new ATOM 0 HA GLU A 97 14.583 -7.575 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.199 -9.580 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.672 -8.717 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.286 -10.527 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.452 -11.160 5.322 1.00 0.00 H new ATOM 1358 N ALA A 98 12.468 -7.441 3.769 1.00 0.00 N ATOM 1359 CA ALA A 98 11.939 -6.493 2.750 1.00 0.00 C ATOM 1360 C ALA A 98 11.233 -5.320 3.426 1.00 0.00 C ATOM 1361 O ALA A 98 11.548 -4.172 3.188 1.00 0.00 O ATOM 1362 CB ALA A 98 10.946 -7.224 1.846 1.00 0.00 C ATOM 0 H ALA A 98 12.021 -8.358 3.784 1.00 0.00 H new ATOM 0 HA ALA A 98 12.772 -6.111 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.557 -6.532 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.450 -8.052 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.123 -7.610 2.447 1.00 0.00 H new ATOM 1368 N TRP A 99 10.268 -5.599 4.244 1.00 0.00 N ATOM 1369 CA TRP A 99 9.513 -4.493 4.915 1.00 0.00 C ATOM 1370 C TRP A 99 10.460 -3.565 5.697 1.00 0.00 C ATOM 1371 O TRP A 99 10.126 -2.426 5.958 1.00 0.00 O ATOM 1372 CB TRP A 99 8.469 -5.094 5.862 1.00 0.00 C ATOM 1373 CG TRP A 99 7.625 -4.011 6.457 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.231 -3.967 7.750 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.056 -2.832 5.814 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.454 -2.840 7.942 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.318 -2.109 6.780 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.105 -2.321 4.502 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.652 -0.928 6.459 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.439 -1.133 4.179 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.714 -0.436 5.154 1.00 0.00 C ATOM 0 H TRP A 99 9.962 -6.542 4.484 1.00 0.00 H new ATOM 0 HA TRP A 99 9.018 -3.897 4.149 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.839 -5.799 5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.966 -5.654 6.654 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.482 -4.694 8.508 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.033 -2.581 8.834 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.660 -2.849 3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.092 -0.397 7.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.484 -0.751 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.204 0.480 4.897 1.00 0.00 H new ATOM 1392 N ASN A 100 11.627 -4.020 6.084 1.00 0.00 N ATOM 1393 CA ASN A 100 12.544 -3.122 6.853 1.00 0.00 C ATOM 1394 C ASN A 100 13.247 -2.123 5.911 1.00 0.00 C ATOM 1395 O ASN A 100 13.298 -0.941 6.189 1.00 0.00 O ATOM 1396 CB ASN A 100 13.586 -3.963 7.600 1.00 0.00 C ATOM 1397 CG ASN A 100 13.045 -4.324 8.985 1.00 0.00 C ATOM 1398 OD1 ASN A 100 13.149 -3.545 9.913 1.00 0.00 O ATOM 1399 ND2 ASN A 100 12.469 -5.480 9.167 1.00 0.00 N ATOM 0 H ASN A 100 11.980 -4.960 5.904 1.00 0.00 H new ATOM 0 HA ASN A 100 11.954 -2.556 7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.810 -4.869 7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.519 -3.407 7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.106 -5.730 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.381 -6.134 8.389 1.00 0.00 H new ATOM 1406 N ILE A 101 13.791 -2.571 4.804 1.00 0.00 N ATOM 1407 CA ILE A 101 14.480 -1.630 3.871 1.00 0.00 C ATOM 1408 C ILE A 101 13.559 -0.462 3.541 1.00 0.00 C ATOM 1409 O ILE A 101 13.990 0.666 3.404 1.00 0.00 O ATOM 1410 CB ILE A 101 14.786 -2.353 2.569 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.722 -3.525 2.821 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.398 -1.390 1.562 1.00 0.00 C ATOM 1413 CD1 ILE A 101 14.958 -4.802 2.489 1.00 0.00 C ATOM 0 H ILE A 101 13.786 -3.547 4.509 1.00 0.00 H new ATOM 0 HA ILE A 101 15.394 -1.272 4.345 1.00 0.00 H new ATOM 0 HB ILE A 101 13.853 -2.739 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.616 -3.441 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.053 -3.535 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.612 -1.921 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.698 -0.579 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.323 -0.980 1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.601 -5.665 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.077 -4.875 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.649 -4.780 1.444 1.00 0.00 H new ATOM 1425 N ILE A 102 12.293 -0.728 3.396 1.00 0.00 N ATOM 1426 CA ILE A 102 11.340 0.359 3.054 1.00 0.00 C ATOM 1427 C ILE A 102 11.424 1.445 4.121 1.00 0.00 C ATOM 1428 O ILE A 102 11.784 2.574 3.855 1.00 0.00 O ATOM 1429 CB ILE A 102 9.938 -0.228 3.023 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.750 -1.040 1.765 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.882 0.876 3.088 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.829 -2.514 2.157 1.00 0.00 C ATOM 0 H ILE A 102 11.877 -1.653 3.500 1.00 0.00 H new ATOM 0 HA ILE A 102 11.581 0.792 2.083 1.00 0.00 H new ATOM 0 HB ILE A 102 9.817 -0.872 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.788 -0.816 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.519 -0.796 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.888 0.430 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.004 1.442 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.001 1.544 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.697 -3.134 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.802 -2.720 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.044 -2.741 2.879 1.00 0.00 H new ATOM 1444 N LYS A 103 11.090 1.100 5.329 1.00 0.00 N ATOM 1445 CA LYS A 103 11.140 2.100 6.437 1.00 0.00 C ATOM 1446 C LYS A 103 12.439 2.900 6.356 1.00 0.00 C ATOM 1447 O LYS A 103 12.472 4.086 6.613 1.00 0.00 O ATOM 1448 CB LYS A 103 11.093 1.375 7.783 1.00 0.00 C ATOM 1449 CG LYS A 103 9.764 0.637 7.924 1.00 0.00 C ATOM 1450 CD LYS A 103 9.610 0.140 9.363 1.00 0.00 C ATOM 1451 CE LYS A 103 8.527 0.955 10.071 1.00 0.00 C ATOM 1452 NZ LYS A 103 8.924 1.179 11.490 1.00 0.00 N ATOM 0 H LYS A 103 10.783 0.167 5.602 1.00 0.00 H new ATOM 0 HA LYS A 103 10.287 2.773 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.921 0.670 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 103 11.211 2.091 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.938 1.300 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.727 -0.204 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.346 -0.917 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.557 0.234 9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.387 1.911 9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.573 0.429 10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.188 1.733 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.036 0.262 11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.825 1.698 11.521 1.00 0.00 H new ATOM 1466 N ALA A 104 13.508 2.245 6.019 1.00 0.00 N ATOM 1467 CA ALA A 104 14.830 2.938 5.939 1.00 0.00 C ATOM 1468 C ALA A 104 14.821 4.005 4.844 1.00 0.00 C ATOM 1469 O ALA A 104 15.489 5.014 4.945 1.00 0.00 O ATOM 1470 CB ALA A 104 15.922 1.910 5.633 1.00 0.00 C ATOM 0 H ALA A 104 13.529 1.251 5.792 1.00 0.00 H new ATOM 0 HA ALA A 104 15.026 3.423 6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.888 2.412 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.950 1.162 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.707 1.423 4.682 1.00 0.00 H new ATOM 1476 N LEU A 105 14.090 3.787 3.793 1.00 0.00 N ATOM 1477 CA LEU A 105 14.065 4.788 2.688 1.00 0.00 C ATOM 1478 C LEU A 105 13.678 6.167 3.239 1.00 0.00 C ATOM 1479 O LEU A 105 13.339 6.296 4.398 1.00 0.00 O ATOM 1480 CB LEU A 105 13.025 4.326 1.662 1.00 0.00 C ATOM 1481 CG LEU A 105 13.694 3.485 0.564 1.00 0.00 C ATOM 1482 CD1 LEU A 105 14.266 4.403 -0.520 1.00 0.00 C ATOM 1483 CD2 LEU A 105 14.823 2.636 1.158 1.00 0.00 C ATOM 0 H LEU A 105 13.508 2.962 3.647 1.00 0.00 H new ATOM 0 HA LEU A 105 15.048 4.868 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.251 3.740 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.534 5.192 1.218 1.00 0.00 H new ATOM 0 HG LEU A 105 12.944 2.826 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.739 3.800 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.461 4.993 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.006 5.071 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.288 2.045 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.570 3.289 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.416 1.969 1.918 1.00 0.00 H new ATOM 1495 N PRO A 106 13.726 7.159 2.379 1.00 0.00 N ATOM 1496 CA PRO A 106 13.371 8.543 2.734 1.00 0.00 C ATOM 1497 C PRO A 106 11.857 8.754 2.633 1.00 0.00 C ATOM 1498 O PRO A 106 11.113 7.847 2.318 1.00 0.00 O ATOM 1499 CB PRO A 106 14.105 9.379 1.682 1.00 0.00 C ATOM 1500 CG PRO A 106 14.348 8.443 0.472 1.00 0.00 C ATOM 1501 CD PRO A 106 14.171 6.998 0.979 1.00 0.00 C ATOM 0 HA PRO A 106 13.646 8.806 3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.511 10.245 1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 106 15.048 9.758 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.643 8.659 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.349 8.590 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.434 6.455 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.104 6.438 0.919 1.00 0.00 H new ATOM 1509 N ASP A 107 11.397 9.946 2.902 1.00 0.00 N ATOM 1510 CA ASP A 107 9.933 10.216 2.825 1.00 0.00 C ATOM 1511 C ASP A 107 9.588 10.816 1.459 1.00 0.00 C ATOM 1512 O ASP A 107 9.521 12.019 1.299 1.00 0.00 O ATOM 1513 CB ASP A 107 9.543 11.201 3.928 1.00 0.00 C ATOM 1514 CG ASP A 107 9.475 10.466 5.268 1.00 0.00 C ATOM 1515 OD1 ASP A 107 8.897 9.392 5.303 1.00 0.00 O ATOM 1516 OD2 ASP A 107 10.000 10.990 6.236 1.00 0.00 O ATOM 0 H ASP A 107 11.972 10.744 3.172 1.00 0.00 H new ATOM 0 HA ASP A 107 9.385 9.283 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.271 12.010 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.578 11.655 3.701 1.00 0.00 H new ATOM 1521 N GLY A 108 9.366 9.990 0.474 1.00 0.00 N ATOM 1522 CA GLY A 108 9.020 10.519 -0.881 1.00 0.00 C ATOM 1523 C GLY A 108 7.941 9.634 -1.517 1.00 0.00 C ATOM 1524 O GLY A 108 7.141 9.040 -0.822 1.00 0.00 O ATOM 0 H GLY A 108 9.408 8.973 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.663 11.546 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.908 10.539 -1.513 1.00 0.00 H new ATOM 1528 N PRO A 109 7.955 9.574 -2.823 1.00 0.00 N ATOM 1529 CA PRO A 109 6.991 8.770 -3.596 1.00 0.00 C ATOM 1530 C PRO A 109 7.382 7.294 -3.569 1.00 0.00 C ATOM 1531 O PRO A 109 8.241 6.856 -4.308 1.00 0.00 O ATOM 1532 CB PRO A 109 7.114 9.330 -5.016 1.00 0.00 C ATOM 1533 CG PRO A 109 8.506 9.999 -5.101 1.00 0.00 C ATOM 1534 CD PRO A 109 8.938 10.302 -3.653 1.00 0.00 C ATOM 0 HA PRO A 109 5.977 8.827 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.019 8.536 -5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.323 10.052 -5.219 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.224 9.340 -5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.461 10.914 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.954 9.959 -3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.919 11.372 -3.447 1.00 0.00 H new ATOM 1542 N VAL A 110 6.743 6.518 -2.741 1.00 0.00 N ATOM 1543 CA VAL A 110 7.062 5.073 -2.691 1.00 0.00 C ATOM 1544 C VAL A 110 6.198 4.395 -3.726 1.00 0.00 C ATOM 1545 O VAL A 110 5.007 4.249 -3.560 1.00 0.00 O ATOM 1546 CB VAL A 110 6.756 4.519 -1.300 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.538 5.216 -0.723 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.469 3.013 -1.346 1.00 0.00 C ATOM 0 H VAL A 110 6.014 6.826 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 110 8.118 4.898 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 110 7.633 4.697 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.326 4.816 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.732 6.286 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.680 5.047 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.255 2.652 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.609 2.826 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.339 2.489 -1.742 1.00 0.00 H new ATOM 1558 N THR A 111 6.790 4.004 -4.803 1.00 0.00 N ATOM 1559 CA THR A 111 5.998 3.363 -5.875 1.00 0.00 C ATOM 1560 C THR A 111 5.911 1.861 -5.629 1.00 0.00 C ATOM 1561 O THR A 111 6.902 1.169 -5.514 1.00 0.00 O ATOM 1562 CB THR A 111 6.654 3.622 -7.232 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.151 4.951 -7.271 1.00 0.00 O ATOM 1564 CG2 THR A 111 5.623 3.427 -8.345 1.00 0.00 C ATOM 0 H THR A 111 7.788 4.099 -4.991 1.00 0.00 H new ATOM 0 HA THR A 111 4.994 3.786 -5.874 1.00 0.00 H new ATOM 0 HB THR A 111 7.477 2.923 -7.377 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.573 5.117 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.092 3.612 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.244 2.405 -8.315 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.798 4.125 -8.203 1.00 0.00 H new ATOM 1572 N ILE A 112 4.714 1.367 -5.553 1.00 0.00 N ATOM 1573 CA ILE A 112 4.492 -0.076 -5.323 1.00 0.00 C ATOM 1574 C ILE A 112 4.040 -0.726 -6.624 1.00 0.00 C ATOM 1575 O ILE A 112 3.498 -0.079 -7.499 1.00 0.00 O ATOM 1576 CB ILE A 112 3.405 -0.261 -4.260 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.445 0.931 -4.275 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.045 -0.383 -2.879 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.359 0.716 -3.226 1.00 0.00 C ATOM 0 H ILE A 112 3.861 1.918 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 112 5.418 -0.539 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 112 2.848 -1.171 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.988 1.853 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 112 1.997 1.039 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.266 -0.514 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.714 -1.243 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.612 0.522 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.673 1.563 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.810 -0.198 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.817 0.629 -2.241 1.00 0.00 H new ATOM 1591 N VAL A 113 4.241 -2.003 -6.756 1.00 0.00 N ATOM 1592 CA VAL A 113 3.805 -2.693 -7.997 1.00 0.00 C ATOM 1593 C VAL A 113 3.009 -3.924 -7.594 1.00 0.00 C ATOM 1594 O VAL A 113 3.558 -4.972 -7.315 1.00 0.00 O ATOM 1595 CB VAL A 113 5.008 -3.131 -8.828 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.716 -2.886 -10.309 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.256 -2.340 -8.418 1.00 0.00 C ATOM 0 H VAL A 113 4.688 -2.599 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 113 3.203 -2.011 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 113 5.190 -4.192 -8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.573 -3.198 -10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.839 -3.460 -10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.527 -1.825 -10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.106 -2.663 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.082 -1.276 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.469 -2.517 -7.364 1.00 0.00 H new ATOM 1607 N ILE A 114 1.723 -3.806 -7.550 1.00 0.00 N ATOM 1608 CA ILE A 114 0.890 -4.968 -7.152 1.00 0.00 C ATOM 1609 C ILE A 114 0.418 -5.707 -8.401 1.00 0.00 C ATOM 1610 O ILE A 114 -0.161 -5.129 -9.300 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.315 -4.483 -6.339 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.361 -3.870 -7.274 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.145 -3.426 -5.334 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.303 -4.964 -7.775 1.00 0.00 C ATOM 0 H ILE A 114 1.207 -2.955 -7.772 1.00 0.00 H new ATOM 0 HA ILE A 114 1.480 -5.648 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.756 -5.329 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.927 -3.101 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.870 -3.384 -8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.710 -3.079 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.886 -3.860 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.587 -2.585 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.047 -4.527 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.731 -5.717 -8.316 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.804 -5.429 -6.926 1.00 0.00 H new ATOM 1626 N ARG A 115 0.650 -6.985 -8.454 1.00 0.00 N ATOM 1627 CA ARG A 115 0.201 -7.773 -9.635 1.00 0.00 C ATOM 1628 C ARG A 115 -0.651 -8.931 -9.130 1.00 0.00 C ATOM 1629 O ARG A 115 -0.150 -9.893 -8.579 1.00 0.00 O ATOM 1630 CB ARG A 115 1.406 -8.316 -10.415 1.00 0.00 C ATOM 1631 CG ARG A 115 0.915 -9.291 -11.487 1.00 0.00 C ATOM 1632 CD ARG A 115 1.693 -10.602 -11.381 1.00 0.00 C ATOM 1633 NE ARG A 115 2.945 -10.504 -12.184 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.439 -11.568 -12.755 1.00 0.00 C ATOM 1635 NH1 ARG A 115 4.163 -12.403 -12.061 1.00 0.00 N ATOM 1636 NH2 ARG A 115 3.213 -11.798 -14.019 1.00 0.00 N ATOM 0 H ARG A 115 1.131 -7.520 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.374 -7.136 -10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.955 -7.495 -10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.096 -8.819 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.152 -9.478 -11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.048 -8.856 -12.477 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.933 -10.812 -10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.082 -11.430 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 115 3.416 -9.605 -12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.342 -12.224 -11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.550 -13.235 -12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 115 2.649 -11.145 -14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 115 3.600 -12.631 -14.463 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.936 -8.840 -9.297 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.823 -9.926 -8.808 1.00 0.00 C ATOM 1652 C ARG A 116 -3.125 -10.893 -9.956 1.00 0.00 C ATOM 1653 O ARG A 116 -2.505 -10.847 -11.001 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.131 -9.312 -8.304 1.00 0.00 C ATOM 1655 CG ARG A 116 -3.953 -8.851 -6.858 1.00 0.00 C ATOM 1656 CD ARG A 116 -4.794 -7.597 -6.617 1.00 0.00 C ATOM 1657 NE ARG A 116 -5.670 -7.806 -5.430 1.00 0.00 N ATOM 1658 CZ ARG A 116 -6.628 -8.691 -5.472 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -6.393 -9.927 -5.125 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -7.821 -8.339 -5.862 1.00 0.00 N ATOM 0 H ARG A 116 -2.412 -8.060 -9.751 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.332 -10.467 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.416 -8.469 -8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.937 -10.043 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.256 -9.643 -6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -2.902 -8.641 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.145 -6.736 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.401 -7.379 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.521 -7.257 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.459 -10.202 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.143 -10.617 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.004 -7.373 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.571 -9.029 -5.895 1.00 0.00 H new ATOM 1674 N LYS A 117 -4.078 -11.760 -9.770 1.00 0.00 N ATOM 1675 CA LYS A 117 -4.439 -12.725 -10.844 1.00 0.00 C ATOM 1676 C LYS A 117 -5.544 -13.644 -10.321 1.00 0.00 C ATOM 1677 O LYS A 117 -5.715 -13.803 -9.129 1.00 0.00 O ATOM 1678 CB LYS A 117 -3.212 -13.557 -11.239 1.00 0.00 C ATOM 1679 CG LYS A 117 -2.290 -13.736 -10.032 1.00 0.00 C ATOM 1680 CD LYS A 117 -1.253 -14.817 -10.344 1.00 0.00 C ATOM 1681 CE LYS A 117 -0.015 -14.607 -9.469 1.00 0.00 C ATOM 1682 NZ LYS A 117 0.727 -15.893 -9.342 1.00 0.00 N ATOM 0 H LYS A 117 -4.627 -11.843 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.788 -12.185 -11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.528 -14.531 -11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.673 -13.064 -12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.792 -12.795 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -2.872 -14.016 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -1.676 -15.805 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -0.977 -14.778 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.629 -13.845 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.310 -14.246 -8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.568 -15.751 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.111 -16.608 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.020 -16.219 -10.285 1.00 0.00 H new ATOM 1696 N SER A 118 -6.305 -14.241 -11.195 1.00 0.00 N ATOM 1697 CA SER A 118 -7.401 -15.134 -10.729 1.00 0.00 C ATOM 1698 C SER A 118 -8.268 -14.373 -9.723 1.00 0.00 C ATOM 1699 O SER A 118 -8.049 -13.207 -9.461 1.00 0.00 O ATOM 1700 CB SER A 118 -6.800 -16.369 -10.057 1.00 0.00 C ATOM 1701 OG SER A 118 -7.670 -17.478 -10.249 1.00 0.00 O ATOM 0 H SER A 118 -6.216 -14.150 -12.207 1.00 0.00 H new ATOM 0 HA SER A 118 -8.010 -15.447 -11.577 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.818 -16.585 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.657 -16.184 -8.992 1.00 0.00 H new ATOM 0 HG SER A 118 -7.287 -18.272 -9.821 1.00 0.00 H new ATOM 1707 N LEU A 119 -9.250 -15.016 -9.153 1.00 0.00 N ATOM 1708 CA LEU A 119 -10.117 -14.311 -8.169 1.00 0.00 C ATOM 1709 C LEU A 119 -9.409 -14.261 -6.813 1.00 0.00 C ATOM 1710 O LEU A 119 -8.899 -15.253 -6.331 1.00 0.00 O ATOM 1711 CB LEU A 119 -11.452 -15.048 -8.034 1.00 0.00 C ATOM 1712 CG LEU A 119 -11.214 -16.470 -7.524 1.00 0.00 C ATOM 1713 CD1 LEU A 119 -12.041 -16.700 -6.260 1.00 0.00 C ATOM 1714 CD2 LEU A 119 -11.636 -17.474 -8.599 1.00 0.00 C ATOM 0 H LEU A 119 -9.488 -15.993 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.307 -13.295 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.106 -14.511 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -11.959 -15.079 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.156 -16.604 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.873 -17.713 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.742 -15.984 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -13.099 -16.567 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.467 -18.488 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.694 -17.341 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.048 -17.309 -9.502 1.00 0.00 H new ATOM 1726 N GLN A 120 -9.369 -13.112 -6.198 1.00 0.00 N ATOM 1727 CA GLN A 120 -8.689 -12.999 -4.878 1.00 0.00 C ATOM 1728 C GLN A 120 -7.310 -13.660 -4.959 1.00 0.00 C ATOM 1729 O GLN A 120 -6.796 -13.917 -6.029 1.00 0.00 O ATOM 1730 CB GLN A 120 -9.529 -13.700 -3.810 1.00 0.00 C ATOM 1731 CG GLN A 120 -9.913 -12.693 -2.724 1.00 0.00 C ATOM 1732 CD GLN A 120 -10.747 -11.570 -3.343 1.00 0.00 C ATOM 1733 OE1 GLN A 120 -11.048 -11.599 -4.519 1.00 0.00 O ATOM 1734 NE2 GLN A 120 -11.134 -10.574 -2.595 1.00 0.00 N ATOM 0 H GLN A 120 -9.777 -12.247 -6.552 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.574 -11.947 -4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.426 -14.127 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -8.967 -14.526 -3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.480 -13.190 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -9.016 -12.282 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -10.881 -10.550 -1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.690 -9.819 -2.998 1.00 0.00 H new ATOM 1743 N SER A 121 -6.707 -13.934 -3.836 1.00 0.00 N ATOM 1744 CA SER A 121 -5.362 -14.575 -3.850 1.00 0.00 C ATOM 1745 C SER A 121 -5.514 -16.082 -4.064 1.00 0.00 C ATOM 1746 O SER A 121 -5.474 -16.568 -5.178 1.00 0.00 O ATOM 1747 CB SER A 121 -4.664 -14.322 -2.513 1.00 0.00 C ATOM 1748 OG SER A 121 -3.641 -13.352 -2.693 1.00 0.00 O ATOM 0 H SER A 121 -7.087 -13.742 -2.909 1.00 0.00 H new ATOM 0 HA SER A 121 -4.768 -14.151 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.385 -13.974 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.238 -15.250 -2.131 1.00 0.00 H new ATOM 0 HG SER A 121 -3.193 -13.186 -1.837 1.00 0.00 H new ATOM 1754 N LYS A 122 -5.686 -16.825 -3.005 1.00 0.00 N ATOM 1755 CA LYS A 122 -5.839 -18.301 -3.144 1.00 0.00 C ATOM 1756 C LYS A 122 -4.476 -18.931 -3.435 1.00 0.00 C ATOM 1757 O LYS A 122 -3.749 -18.488 -4.302 1.00 0.00 O ATOM 1758 CB LYS A 122 -6.799 -18.608 -4.295 1.00 0.00 C ATOM 1759 CG LYS A 122 -7.781 -19.698 -3.862 1.00 0.00 C ATOM 1760 CD LYS A 122 -8.938 -19.064 -3.087 1.00 0.00 C ATOM 1761 CE LYS A 122 -10.142 -20.008 -3.104 1.00 0.00 C ATOM 1762 NZ LYS A 122 -10.217 -20.740 -1.808 1.00 0.00 N ATOM 0 H LYS A 122 -5.727 -16.473 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.239 -18.713 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.342 -17.707 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.240 -18.934 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.161 -20.228 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.272 -20.434 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.635 -18.863 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.207 -18.106 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.059 -19.442 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.052 -20.715 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -11.035 -21.382 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.346 -21.291 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.322 -20.058 -1.030 1.00 0.00 H new ATOM 1776 N GLU A 123 -4.122 -19.962 -2.716 1.00 0.00 N ATOM 1777 CA GLU A 123 -2.803 -20.619 -2.952 1.00 0.00 C ATOM 1778 C GLU A 123 -2.861 -22.070 -2.470 1.00 0.00 C ATOM 1779 O GLU A 123 -2.724 -22.995 -3.245 1.00 0.00 O ATOM 1780 CB GLU A 123 -1.699 -19.873 -2.188 1.00 0.00 C ATOM 1781 CG GLU A 123 -2.314 -18.987 -1.098 1.00 0.00 C ATOM 1782 CD GLU A 123 -1.300 -18.778 0.028 1.00 0.00 C ATOM 1783 OE1 GLU A 123 -0.287 -18.147 -0.222 1.00 0.00 O ATOM 1784 OE2 GLU A 123 -1.555 -19.253 1.122 1.00 0.00 O ATOM 0 H GLU A 123 -4.688 -20.378 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.580 -20.594 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -1.010 -20.589 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.118 -19.262 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -2.607 -18.026 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -3.218 -19.452 -0.705 1.00 0.00 H new ATOM 1791 N THR A 124 -3.061 -22.278 -1.198 1.00 0.00 N ATOM 1792 CA THR A 124 -3.127 -23.672 -0.675 1.00 0.00 C ATOM 1793 C THR A 124 -3.743 -23.666 0.725 1.00 0.00 C ATOM 1794 O THR A 124 -3.279 -24.345 1.620 1.00 0.00 O ATOM 1795 CB THR A 124 -1.717 -24.263 -0.607 1.00 0.00 C ATOM 1796 OG1 THR A 124 -1.772 -25.540 0.012 1.00 0.00 O ATOM 1797 CG2 THR A 124 -0.812 -23.338 0.206 1.00 0.00 C ATOM 0 H THR A 124 -3.181 -21.545 -0.499 1.00 0.00 H new ATOM 0 HA THR A 124 -3.743 -24.277 -1.341 1.00 0.00 H new ATOM 0 HB THR A 124 -1.315 -24.364 -1.615 1.00 0.00 H new ATOM 0 HG1 THR A 124 -2.154 -25.452 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 124 0.192 -23.760 0.253 1.00 0.00 H new ATOM 0 HG22 THR A 124 -0.771 -22.358 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.210 -23.235 1.215 1.00 0.00 H new ATOM 1805 N THR A 125 -4.786 -22.907 0.923 1.00 0.00 N ATOM 1806 CA THR A 125 -5.428 -22.865 2.266 1.00 0.00 C ATOM 1807 C THR A 125 -5.822 -24.284 2.680 1.00 0.00 C ATOM 1808 O THR A 125 -5.647 -25.228 1.934 1.00 0.00 O ATOM 1809 CB THR A 125 -6.676 -21.981 2.210 1.00 0.00 C ATOM 1810 OG1 THR A 125 -7.172 -21.784 3.526 1.00 0.00 O ATOM 1811 CG2 THR A 125 -7.747 -22.659 1.355 1.00 0.00 C ATOM 0 H THR A 125 -5.220 -22.316 0.214 1.00 0.00 H new ATOM 0 HA THR A 125 -4.729 -22.453 2.994 1.00 0.00 H new ATOM 0 HB THR A 125 -6.420 -21.018 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 125 -7.970 -21.217 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 125 -8.635 -22.028 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 125 -7.365 -22.810 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 125 -8.006 -23.623 1.793 1.00 0.00 H new ATOM 1819 N ALA A 126 -6.348 -24.448 3.863 1.00 0.00 N ATOM 1820 CA ALA A 126 -6.745 -25.810 4.316 1.00 0.00 C ATOM 1821 C ALA A 126 -8.270 -25.907 4.391 1.00 0.00 C ATOM 1822 O ALA A 126 -8.895 -25.362 5.280 1.00 0.00 O ATOM 1823 CB ALA A 126 -6.148 -26.081 5.699 1.00 0.00 C ATOM 0 H ALA A 126 -6.520 -23.699 4.534 1.00 0.00 H new ATOM 0 HA ALA A 126 -6.372 -26.548 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.438 -27.078 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -5.061 -26.018 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.519 -25.340 6.407 1.00 0.00 H new ATOM 1829 N ALA A 127 -8.875 -26.602 3.465 1.00 0.00 N ATOM 1830 CA ALA A 127 -10.358 -26.740 3.483 1.00 0.00 C ATOM 1831 C ALA A 127 -10.726 -28.181 3.846 1.00 0.00 C ATOM 1832 O ALA A 127 -9.879 -29.051 3.901 1.00 0.00 O ATOM 1833 CB ALA A 127 -10.921 -26.404 2.100 1.00 0.00 C ATOM 0 H ALA A 127 -8.405 -27.080 2.697 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.779 -26.056 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.006 -26.505 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.656 -25.380 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.503 -27.087 1.361 1.00 0.00 H new ATOM 1839 N GLY A 128 -11.979 -28.440 4.094 1.00 0.00 N ATOM 1840 CA GLY A 128 -12.394 -29.826 4.453 1.00 0.00 C ATOM 1841 C GLY A 128 -13.918 -29.895 4.554 1.00 0.00 C ATOM 1842 O GLY A 128 -14.470 -30.118 5.613 1.00 0.00 O ATOM 0 H GLY A 128 -12.733 -27.754 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.037 -30.530 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.943 -30.117 5.402 1.00 0.00 H new ATOM 1846 N ASP A 129 -14.603 -29.705 3.460 1.00 0.00 N ATOM 1847 CA ASP A 129 -16.093 -29.763 3.496 1.00 0.00 C ATOM 1848 C ASP A 129 -16.599 -30.609 2.325 1.00 0.00 C ATOM 1849 O ASP A 129 -16.215 -30.408 1.189 1.00 0.00 O ATOM 1850 CB ASP A 129 -16.662 -28.347 3.384 1.00 0.00 C ATOM 1851 CG ASP A 129 -15.899 -27.573 2.309 1.00 0.00 C ATOM 1852 OD1 ASP A 129 -15.828 -28.063 1.193 1.00 0.00 O ATOM 1853 OD2 ASP A 129 -15.398 -26.504 2.616 1.00 0.00 O ATOM 0 H ASP A 129 -14.197 -29.512 2.544 1.00 0.00 H new ATOM 0 HA ASP A 129 -16.416 -30.211 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -17.722 -28.389 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -16.581 -27.834 4.343 1.00 0.00 H new ATOM 1858 N SER A 130 -17.458 -31.555 2.593 1.00 0.00 N ATOM 1859 CA SER A 130 -17.989 -32.412 1.495 1.00 0.00 C ATOM 1860 C SER A 130 -16.838 -33.197 0.862 1.00 0.00 C ATOM 1861 O SER A 130 -15.954 -32.569 0.304 1.00 0.00 O ATOM 1862 CB SER A 130 -18.651 -31.529 0.437 1.00 0.00 C ATOM 1863 OG SER A 130 -19.704 -30.787 1.037 1.00 0.00 O ATOM 1864 OXT SER A 130 -16.863 -34.414 0.945 1.00 0.00 O ATOM 0 H SER A 130 -17.815 -31.771 3.524 1.00 0.00 H new ATOM 0 HA SER A 130 -18.725 -33.109 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 130 -17.917 -30.852 0.000 1.00 0.00 H new ATOM 0 HB3 SER A 130 -19.040 -32.144 -0.375 1.00 0.00 H new ATOM 0 HG SER A 130 -20.130 -30.218 0.362 1.00 0.00 H new TER 1870 SER A 130