USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 MET CE :methyl 171:sc= -0.373 (180deg=-1.04) USER MOD Set 1.2: A 103 THR OG1 : rot -130:sc= -0.387 USER MOD Set 2.1: A 45 ASN : amide:sc= -1.28 K(o=-0.56,f=-5.8!) USER MOD Set 2.2: A 76 ASN : amide:sc= 0.724 K(o=-0.56,f=-5.8) USER MOD Set 3.1: A 66 THR OG1 : rot -70:sc= 1.28 USER MOD Set 3.2: A 68 MET CE :methyl -176:sc= 0 (180deg=0) USER MOD Set 4.1: A 43 MET CE :methyl 167:sc= -0.609 (180deg=-1.08) USER MOD Set 4.2: A 110 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.0906 K(o=1.1,f=0.14) USER MOD Set 5.2: A 10 HIS : no HE2:sc= 0.996 K(o=1.1,f=-4.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.719 (180deg=0.0362) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00828 USER MOD Single : A 6 GLN : amide:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : A 8 GLN :FLIP amide:sc= 0.129 F(o=-0.6,f=0.13) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 80:sc= -0.022 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.2!) USER MOD Single : A 32 SER OG : rot -3:sc= 0.642 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -172:sc= -0.188 (180deg=-0.295) USER MOD Single : A 38 MET CE :methyl 165:sc= -0.455 (180deg=-1.32) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -65:sc= 1.3 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.618 K(o=0.62,f=-0.057) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 61 LYS NZ :NH3+ -108:sc= 1.21 (180deg=-0.335!) USER MOD Single : A 65 MET CE :methyl -179:sc= -1.08 (180deg=-1.09) USER MOD Single : A 69 MET CE :methyl 175:sc= 0 (180deg=-0.00679) USER MOD Single : A 72 ASN : amide:sc= -0.371 K(o=-0.37,f=-2.8!) USER MOD Single : A 74 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.3) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 81 THR OG1 : rot 65:sc= 0.579 USER MOD Single : A 83 SER OG : rot 100:sc= 0.851 USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00306) USER MOD Single : A 91 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.21) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.045) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.878) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 107 THR OG1 : rot 25:sc= 0.552 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0.915) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.521 1.340 -6.771 1.00 0.00 N ATOM 2 CA MET A 1 16.169 0.829 -6.600 1.00 0.00 C ATOM 3 C MET A 1 15.632 1.254 -5.225 1.00 0.00 C ATOM 4 O MET A 1 16.239 2.100 -4.563 1.00 0.00 O ATOM 5 CB MET A 1 16.092 -0.688 -6.868 1.00 0.00 C ATOM 6 CG MET A 1 16.801 -1.604 -5.858 1.00 0.00 C ATOM 7 SD MET A 1 18.612 -1.694 -5.933 1.00 0.00 S ATOM 8 CE MET A 1 18.877 -2.658 -7.444 1.00 0.00 C ATOM 0 H1 MET A 1 17.639 1.692 -7.742 1.00 0.00 H new ATOM 0 H2 MET A 1 17.686 2.116 -6.099 1.00 0.00 H new ATOM 0 H3 MET A 1 18.205 0.577 -6.594 1.00 0.00 H new ATOM 0 HA MET A 1 15.512 1.270 -7.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.041 -0.974 -6.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.512 -0.881 -7.855 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.522 -1.279 -4.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.409 -2.613 -5.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.946 -2.788 -7.610 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.404 -3.635 -7.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.440 -2.132 -8.293 1.00 0.00 H new ATOM 18 N VAL A 2 14.461 0.757 -4.825 1.00 0.00 N ATOM 19 CA VAL A 2 13.919 0.995 -3.493 1.00 0.00 C ATOM 20 C VAL A 2 14.721 0.187 -2.466 1.00 0.00 C ATOM 21 O VAL A 2 15.218 -0.902 -2.773 1.00 0.00 O ATOM 22 CB VAL A 2 12.413 0.653 -3.488 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.116 -0.776 -3.957 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.750 0.886 -2.121 1.00 0.00 C ATOM 0 H VAL A 2 13.864 0.179 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 2 14.011 2.045 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 2 11.979 1.347 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.041 -0.952 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.479 -0.907 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.616 -1.486 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.693 0.628 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.234 0.261 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.852 1.934 -1.841 1.00 0.00 H new ATOM 34 N THR A 3 14.757 0.659 -1.221 1.00 0.00 N ATOM 35 CA THR A 3 15.323 -0.064 -0.091 1.00 0.00 C ATOM 36 C THR A 3 14.359 -0.014 1.098 1.00 0.00 C ATOM 37 O THR A 3 13.497 0.860 1.151 1.00 0.00 O ATOM 38 CB THR A 3 16.719 0.491 0.254 1.00 0.00 C ATOM 39 OG1 THR A 3 16.904 1.826 -0.168 1.00 0.00 O ATOM 40 CG2 THR A 3 17.769 -0.354 -0.450 1.00 0.00 C ATOM 0 H THR A 3 14.385 1.574 -0.968 1.00 0.00 H new ATOM 0 HA THR A 3 15.456 -1.113 -0.355 1.00 0.00 H new ATOM 0 HB THR A 3 16.812 0.459 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.804 2.125 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.762 0.029 -0.214 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.689 -1.388 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.610 -0.309 -1.527 1.00 0.00 H new ATOM 48 N PRO A 4 14.478 -0.942 2.064 1.00 0.00 N ATOM 49 CA PRO A 4 13.568 -1.028 3.205 1.00 0.00 C ATOM 50 C PRO A 4 13.674 0.204 4.092 1.00 0.00 C ATOM 51 O PRO A 4 12.704 0.617 4.727 1.00 0.00 O ATOM 52 CB PRO A 4 13.988 -2.294 3.945 1.00 0.00 C ATOM 53 CG PRO A 4 15.454 -2.486 3.581 1.00 0.00 C ATOM 54 CD PRO A 4 15.487 -1.987 2.141 1.00 0.00 C ATOM 0 HA PRO A 4 12.524 -1.069 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.858 -2.185 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.388 -3.150 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.115 -1.910 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.761 -3.529 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.473 -1.599 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.269 -2.794 1.442 1.00 0.00 H new ATOM 62 N GLU A 5 14.886 0.739 4.182 1.00 0.00 N ATOM 63 CA GLU A 5 15.216 1.960 4.890 1.00 0.00 C ATOM 64 C GLU A 5 14.294 3.101 4.435 1.00 0.00 C ATOM 65 O GLU A 5 13.561 3.641 5.257 1.00 0.00 O ATOM 66 CB GLU A 5 16.717 2.265 4.715 1.00 0.00 C ATOM 67 CG GLU A 5 17.151 3.232 5.825 1.00 0.00 C ATOM 68 CD GLU A 5 18.668 3.356 6.010 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.373 3.765 5.055 1.00 0.00 O ATOM 70 OE2 GLU A 5 19.145 3.134 7.148 1.00 0.00 O ATOM 0 H GLU A 5 15.700 0.310 3.741 1.00 0.00 H new ATOM 0 HA GLU A 5 15.043 1.843 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.299 1.345 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.902 2.705 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.743 4.219 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.709 2.905 6.766 1.00 0.00 H new ATOM 77 N GLN A 6 14.230 3.392 3.129 1.00 0.00 N ATOM 78 CA GLN A 6 13.334 4.396 2.545 1.00 0.00 C ATOM 79 C GLN A 6 11.842 4.003 2.567 1.00 0.00 C ATOM 80 O GLN A 6 11.058 4.567 1.803 1.00 0.00 O ATOM 81 CB GLN A 6 13.825 4.834 1.144 1.00 0.00 C ATOM 82 CG GLN A 6 14.185 3.754 0.122 1.00 0.00 C ATOM 83 CD GLN A 6 14.982 4.353 -1.041 1.00 0.00 C ATOM 84 OE1 GLN A 6 16.152 4.697 -0.896 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.400 4.501 -2.221 1.00 0.00 N ATOM 0 H GLN A 6 14.813 2.925 2.435 1.00 0.00 H new ATOM 0 HA GLN A 6 13.386 5.267 3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.050 5.461 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.704 5.464 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.769 2.970 0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.276 3.287 -0.256 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.429 4.218 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.923 4.898 -3.001 1.00 0.00 H new ATOM 94 N LEU A 7 11.416 3.072 3.428 1.00 0.00 N ATOM 95 CA LEU A 7 10.028 2.637 3.569 1.00 0.00 C ATOM 96 C LEU A 7 9.593 2.671 5.028 1.00 0.00 C ATOM 97 O LEU A 7 8.614 3.352 5.323 1.00 0.00 O ATOM 98 CB LEU A 7 9.839 1.233 2.986 1.00 0.00 C ATOM 99 CG LEU A 7 10.046 1.137 1.458 1.00 0.00 C ATOM 100 CD1 LEU A 7 9.790 -0.304 1.004 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.128 2.069 0.650 1.00 0.00 C ATOM 0 H LEU A 7 12.050 2.588 4.064 1.00 0.00 H new ATOM 0 HA LEU A 7 9.400 3.330 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.535 0.553 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.834 0.887 3.226 1.00 0.00 H new ATOM 0 HG LEU A 7 11.073 1.448 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.935 -0.377 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.485 -0.974 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.767 -0.588 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.331 1.946 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.087 1.819 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.315 3.103 0.938 1.00 0.00 H new ATOM 113 N GLN A 8 10.311 1.974 5.924 1.00 0.00 N ATOM 114 CA GLN A 8 10.089 1.809 7.372 1.00 0.00 C ATOM 115 C GLN A 8 9.730 3.056 8.192 1.00 0.00 C ATOM 116 O GLN A 8 9.416 2.938 9.378 1.00 0.00 O ATOM 117 CB GLN A 8 11.386 1.218 7.956 1.00 0.00 C ATOM 118 CG GLN A 8 11.322 -0.309 7.953 1.00 0.00 C ATOM 119 CD GLN A 8 12.700 -0.938 8.109 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.539 -0.737 7.113 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 13.016 -1.631 9.075 1.00 0.00 N flip ATOM 0 H GLN A 8 11.141 1.462 5.625 1.00 0.00 H new ATOM 0 HA GLN A 8 9.204 1.178 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.242 1.554 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.533 1.581 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.676 -0.646 8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.871 -0.651 7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.354 -1.776 9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.940 -2.061 9.114 1.00 0.00 H new ATOM 130 N HIS A 9 9.807 4.242 7.606 1.00 0.00 N ATOM 131 CA HIS A 9 9.446 5.487 8.263 1.00 0.00 C ATOM 132 C HIS A 9 8.898 6.524 7.280 1.00 0.00 C ATOM 133 O HIS A 9 9.128 7.725 7.444 1.00 0.00 O ATOM 134 CB HIS A 9 10.632 5.988 9.095 1.00 0.00 C ATOM 135 CG HIS A 9 11.881 6.282 8.301 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.026 7.302 7.392 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.064 5.593 8.349 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.273 7.237 6.902 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.954 6.224 7.471 1.00 0.00 N ATOM 0 H HIS A 9 10.127 4.367 6.646 1.00 0.00 H new ATOM 0 HA HIS A 9 8.620 5.303 8.950 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.332 6.894 9.622 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.867 5.241 9.853 1.00 0.00 H new ATOM 0 HD1 HIS A 9 11.314 7.986 7.136 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.272 4.722 8.953 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.675 7.905 6.155 1.00 0.00 H new ATOM 147 N HIS A 10 8.155 6.084 6.265 1.00 0.00 N ATOM 148 CA HIS A 10 7.492 6.979 5.329 1.00 0.00 C ATOM 149 C HIS A 10 6.025 6.589 5.156 1.00 0.00 C ATOM 150 O HIS A 10 5.591 5.506 5.560 1.00 0.00 O ATOM 151 CB HIS A 10 8.271 6.990 4.013 1.00 0.00 C ATOM 152 CG HIS A 10 9.610 7.678 4.131 1.00 0.00 C ATOM 153 ND1 HIS A 10 9.829 9.022 4.345 1.00 0.00 N ATOM 154 CD2 HIS A 10 10.832 7.071 4.058 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.156 9.226 4.337 1.00 0.00 C ATOM 156 NE2 HIS A 10 11.810 8.066 4.152 1.00 0.00 N ATOM 0 H HIS A 10 7.998 5.095 6.072 1.00 0.00 H new ATOM 0 HA HIS A 10 7.486 7.997 5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.423 5.964 3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.677 7.490 3.249 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.112 9.734 4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.011 6.012 3.947 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.632 10.188 4.462 1.00 0.00 H new ATOM 164 N ARG A 11 5.248 7.504 4.575 1.00 0.00 N ATOM 165 CA ARG A 11 3.802 7.430 4.415 1.00 0.00 C ATOM 166 C ARG A 11 3.501 7.702 2.950 1.00 0.00 C ATOM 167 O ARG A 11 4.116 8.576 2.331 1.00 0.00 O ATOM 168 CB ARG A 11 3.148 8.459 5.348 1.00 0.00 C ATOM 169 CG ARG A 11 1.627 8.621 5.196 1.00 0.00 C ATOM 170 CD ARG A 11 1.163 9.829 6.023 1.00 0.00 C ATOM 171 NE ARG A 11 -0.301 9.875 6.149 1.00 0.00 N ATOM 172 CZ ARG A 11 -1.024 10.857 6.698 1.00 0.00 C ATOM 173 NH1 ARG A 11 -0.445 11.999 7.049 1.00 0.00 N ATOM 174 NH2 ARG A 11 -2.320 10.680 6.899 1.00 0.00 N ATOM 0 H ARG A 11 5.636 8.362 4.183 1.00 0.00 H new ATOM 0 HA ARG A 11 3.401 6.452 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.364 8.177 6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.617 9.428 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.367 8.762 4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.118 7.718 5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.612 9.784 7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.516 10.748 5.554 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.818 9.077 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.556 12.130 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.001 12.745 7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.761 9.799 6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.878 11.425 7.317 1.00 0.00 H new ATOM 188 N PHE A 12 2.555 6.943 2.418 1.00 0.00 N ATOM 189 CA PHE A 12 2.310 6.789 1.006 1.00 0.00 C ATOM 190 C PHE A 12 0.810 6.830 0.801 1.00 0.00 C ATOM 191 O PHE A 12 0.094 5.953 1.267 1.00 0.00 O ATOM 192 CB PHE A 12 2.944 5.468 0.560 1.00 0.00 C ATOM 193 CG PHE A 12 4.442 5.578 0.416 1.00 0.00 C ATOM 194 CD1 PHE A 12 4.967 6.365 -0.622 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.304 4.965 1.345 1.00 0.00 C ATOM 196 CE1 PHE A 12 6.349 6.562 -0.719 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.694 5.134 1.223 1.00 0.00 C ATOM 198 CZ PHE A 12 7.214 5.941 0.197 1.00 0.00 C ATOM 0 H PHE A 12 1.912 6.396 2.991 1.00 0.00 H new ATOM 0 HA PHE A 12 2.753 7.582 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.706 4.689 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.510 5.161 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.305 6.818 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.899 4.367 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.751 7.192 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.361 4.644 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.281 6.084 0.113 1.00 0.00 H new ATOM 208 N VAL A 13 0.309 7.872 0.154 1.00 0.00 N ATOM 209 CA VAL A 13 -1.131 8.084 -0.001 1.00 0.00 C ATOM 210 C VAL A 13 -1.478 7.698 -1.428 1.00 0.00 C ATOM 211 O VAL A 13 -0.638 7.864 -2.320 1.00 0.00 O ATOM 212 CB VAL A 13 -1.531 9.535 0.315 1.00 0.00 C ATOM 213 CG1 VAL A 13 -3.034 9.613 0.608 1.00 0.00 C ATOM 214 CG2 VAL A 13 -0.784 10.033 1.552 1.00 0.00 C ATOM 0 H VAL A 13 0.884 8.595 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.689 7.471 0.707 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.280 10.151 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.308 10.644 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.593 9.269 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.271 8.982 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.077 11.061 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.032 9.402 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.290 9.992 1.370 1.00 0.00 H new ATOM 224 N LEU A 14 -2.660 7.111 -1.631 1.00 0.00 N ATOM 225 CA LEU A 14 -3.004 6.508 -2.903 1.00 0.00 C ATOM 226 C LEU A 14 -3.417 7.597 -3.888 1.00 0.00 C ATOM 227 O LEU A 14 -4.559 8.062 -3.857 1.00 0.00 O ATOM 228 CB LEU A 14 -4.112 5.455 -2.723 1.00 0.00 C ATOM 229 CG LEU A 14 -4.503 4.729 -4.024 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.309 4.297 -4.885 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.304 3.475 -3.663 1.00 0.00 C ATOM 0 H LEU A 14 -3.391 7.045 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.133 5.992 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.782 4.717 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.996 5.940 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.080 5.442 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.670 3.794 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.730 5.175 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.678 3.615 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.588 2.950 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.693 2.819 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.201 3.762 -3.115 1.00 0.00 H new ATOM 243 N GLU A 15 -2.491 8.057 -4.726 1.00 0.00 N ATOM 244 CA GLU A 15 -2.737 9.220 -5.560 1.00 0.00 C ATOM 245 C GLU A 15 -3.637 8.872 -6.747 1.00 0.00 C ATOM 246 O GLU A 15 -4.564 9.638 -7.027 1.00 0.00 O ATOM 247 CB GLU A 15 -1.421 9.896 -5.994 1.00 0.00 C ATOM 248 CG GLU A 15 -1.229 11.309 -5.401 1.00 0.00 C ATOM 249 CD GLU A 15 -2.510 12.150 -5.312 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.072 12.532 -6.360 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.006 12.330 -4.174 1.00 0.00 O ATOM 0 H GLU A 15 -1.567 7.640 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.277 9.953 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.583 9.268 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.397 9.961 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.804 11.214 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.500 11.846 -6.008 1.00 0.00 H new ATOM 258 N SER A 16 -3.478 7.704 -7.380 1.00 0.00 N ATOM 259 CA SER A 16 -4.532 7.146 -8.225 1.00 0.00 C ATOM 260 C SER A 16 -4.394 5.626 -8.348 1.00 0.00 C ATOM 261 O SER A 16 -3.313 5.054 -8.163 1.00 0.00 O ATOM 262 CB SER A 16 -4.558 7.844 -9.598 1.00 0.00 C ATOM 263 OG SER A 16 -5.846 7.732 -10.180 1.00 0.00 O ATOM 0 H SER A 16 -2.635 7.133 -7.322 1.00 0.00 H new ATOM 0 HA SER A 16 -5.494 7.337 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.292 8.895 -9.485 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.813 7.396 -10.256 1.00 0.00 H new ATOM 0 HG SER A 16 -5.851 8.181 -11.051 1.00 0.00 H new ATOM 269 N VAL A 17 -5.518 4.980 -8.663 1.00 0.00 N ATOM 270 CA VAL A 17 -5.630 3.564 -8.989 1.00 0.00 C ATOM 271 C VAL A 17 -5.354 3.413 -10.490 1.00 0.00 C ATOM 272 O VAL A 17 -5.322 4.395 -11.236 1.00 0.00 O ATOM 273 CB VAL A 17 -7.050 3.055 -8.609 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.217 1.530 -8.720 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.465 3.511 -7.195 1.00 0.00 C ATOM 0 H VAL A 17 -6.418 5.458 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.911 2.966 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.709 3.509 -9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.233 1.254 -8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.027 1.217 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.509 1.037 -8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.463 3.134 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.756 3.121 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.470 4.600 -7.151 1.00 0.00 H new ATOM 285 N ASN A 18 -5.240 2.170 -10.955 1.00 0.00 N ATOM 286 CA ASN A 18 -5.263 1.816 -12.371 1.00 0.00 C ATOM 287 C ASN A 18 -6.493 2.370 -13.093 1.00 0.00 C ATOM 288 O ASN A 18 -6.418 2.705 -14.270 1.00 0.00 O ATOM 289 CB ASN A 18 -5.285 0.289 -12.495 1.00 0.00 C ATOM 290 CG ASN A 18 -5.257 -0.154 -13.947 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.214 -0.136 -14.592 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.383 -0.610 -14.458 1.00 0.00 N ATOM 0 H ASN A 18 -5.126 1.363 -10.342 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.376 2.249 -12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.428 -0.132 -11.969 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.180 -0.103 -12.011 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.403 -0.961 -15.415 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.234 -0.612 -13.896 1.00 0.00 H new ATOM 299 N GLY A 19 -7.636 2.411 -12.405 1.00 0.00 N ATOM 300 CA GLY A 19 -8.930 2.716 -13.002 1.00 0.00 C ATOM 301 C GLY A 19 -9.294 4.193 -12.901 1.00 0.00 C ATOM 302 O GLY A 19 -9.649 4.799 -13.909 1.00 0.00 O ATOM 0 H GLY A 19 -7.685 2.230 -11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.920 2.420 -14.051 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.701 2.122 -12.511 1.00 0.00 H new ATOM 306 N LYS A 20 -9.272 4.757 -11.690 1.00 0.00 N ATOM 307 CA LYS A 20 -9.693 6.125 -11.377 1.00 0.00 C ATOM 308 C LYS A 20 -9.065 6.542 -10.044 1.00 0.00 C ATOM 309 O LYS A 20 -8.660 5.652 -9.295 1.00 0.00 O ATOM 310 CB LYS A 20 -11.225 6.197 -11.321 1.00 0.00 C ATOM 311 CG LYS A 20 -11.880 5.274 -10.297 1.00 0.00 C ATOM 312 CD LYS A 20 -13.294 5.742 -9.954 1.00 0.00 C ATOM 313 CE LYS A 20 -14.194 5.749 -11.194 1.00 0.00 C ATOM 314 NZ LYS A 20 -15.625 5.897 -10.864 1.00 0.00 N ATOM 0 H LYS A 20 -8.946 4.251 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.356 6.813 -12.153 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.517 7.224 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.621 5.958 -12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.916 4.258 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.275 5.244 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.722 5.087 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.254 6.743 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.892 6.564 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.048 4.822 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.185 5.895 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.925 5.106 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.774 6.794 -10.360 1.00 0.00 H new ATOM 328 N PRO A 21 -9.018 7.831 -9.681 1.00 0.00 N ATOM 329 CA PRO A 21 -8.610 8.218 -8.340 1.00 0.00 C ATOM 330 C PRO A 21 -9.683 7.845 -7.311 1.00 0.00 C ATOM 331 O PRO A 21 -10.804 7.445 -7.655 1.00 0.00 O ATOM 332 CB PRO A 21 -8.330 9.720 -8.411 1.00 0.00 C ATOM 333 CG PRO A 21 -9.221 10.194 -9.556 1.00 0.00 C ATOM 334 CD PRO A 21 -9.322 8.993 -10.496 1.00 0.00 C ATOM 0 HA PRO A 21 -7.717 7.689 -8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.579 10.220 -7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.278 9.923 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.204 10.496 -9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.789 11.057 -10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.319 8.917 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.620 9.084 -11.325 1.00 0.00 H new ATOM 342 N VAL A 22 -9.340 7.987 -6.036 1.00 0.00 N ATOM 343 CA VAL A 22 -10.158 7.668 -4.880 1.00 0.00 C ATOM 344 C VAL A 22 -10.018 8.829 -3.894 1.00 0.00 C ATOM 345 O VAL A 22 -8.932 9.375 -3.685 1.00 0.00 O ATOM 346 CB VAL A 22 -9.766 6.279 -4.323 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.261 6.069 -4.096 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.529 5.937 -3.035 1.00 0.00 C ATOM 0 H VAL A 22 -8.425 8.351 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.216 7.574 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.058 5.594 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.088 5.066 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.731 6.186 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.895 6.805 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.222 4.953 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.308 6.683 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.600 5.931 -3.237 1.00 0.00 H new ATOM 358 N THR A 23 -11.143 9.245 -3.324 1.00 0.00 N ATOM 359 CA THR A 23 -11.246 10.388 -2.437 1.00 0.00 C ATOM 360 C THR A 23 -12.304 10.044 -1.384 1.00 0.00 C ATOM 361 O THR A 23 -13.435 9.670 -1.720 1.00 0.00 O ATOM 362 CB THR A 23 -11.563 11.655 -3.259 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.337 11.381 -4.418 1.00 0.00 O ATOM 364 CG2 THR A 23 -10.296 12.371 -3.732 1.00 0.00 C ATOM 0 H THR A 23 -12.037 8.777 -3.475 1.00 0.00 H new ATOM 0 HA THR A 23 -10.311 10.605 -1.920 1.00 0.00 H new ATOM 0 HB THR A 23 -12.128 12.287 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.511 12.216 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.571 13.256 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.702 12.669 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.711 11.699 -4.360 1.00 0.00 H new ATOM 372 N SER A 24 -11.919 10.120 -0.111 1.00 0.00 N ATOM 373 CA SER A 24 -12.635 9.530 1.016 1.00 0.00 C ATOM 374 C SER A 24 -12.976 10.608 2.046 1.00 0.00 C ATOM 375 O SER A 24 -12.813 10.420 3.256 1.00 0.00 O ATOM 376 CB SER A 24 -11.775 8.420 1.618 1.00 0.00 C ATOM 377 OG SER A 24 -11.324 7.513 0.632 1.00 0.00 O ATOM 0 H SER A 24 -11.071 10.611 0.172 1.00 0.00 H new ATOM 0 HA SER A 24 -13.577 9.096 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.917 8.860 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.351 7.882 2.371 1.00 0.00 H new ATOM 0 HG SER A 24 -10.553 7.896 0.163 1.00 0.00 H new ATOM 383 N ASP A 25 -13.396 11.773 1.556 1.00 0.00 N ATOM 384 CA ASP A 25 -13.558 13.037 2.263 1.00 0.00 C ATOM 385 C ASP A 25 -12.195 13.484 2.777 1.00 0.00 C ATOM 386 O ASP A 25 -11.534 14.286 2.112 1.00 0.00 O ATOM 387 CB ASP A 25 -14.666 13.009 3.324 1.00 0.00 C ATOM 388 CG ASP A 25 -16.006 12.500 2.793 1.00 0.00 C ATOM 389 OD1 ASP A 25 -16.473 12.922 1.710 1.00 0.00 O ATOM 390 OD2 ASP A 25 -16.594 11.606 3.448 1.00 0.00 O ATOM 0 H ASP A 25 -13.652 11.862 0.573 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.921 13.794 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.349 12.376 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.801 14.014 3.724 1.00 0.00 H new ATOM 395 N LYS A 26 -11.712 12.905 3.880 1.00 0.00 N ATOM 396 CA LYS A 26 -10.408 13.207 4.461 1.00 0.00 C ATOM 397 C LYS A 26 -9.545 12.001 4.809 1.00 0.00 C ATOM 398 O LYS A 26 -8.377 12.219 5.124 1.00 0.00 O ATOM 399 CB LYS A 26 -10.584 14.112 5.682 1.00 0.00 C ATOM 400 CG LYS A 26 -11.329 13.479 6.875 1.00 0.00 C ATOM 401 CD LYS A 26 -10.444 13.408 8.129 1.00 0.00 C ATOM 402 CE LYS A 26 -11.157 12.673 9.270 1.00 0.00 C ATOM 403 NZ LYS A 26 -12.171 13.489 9.964 1.00 0.00 N ATOM 0 H LYS A 26 -12.230 12.199 4.402 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.854 13.717 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.599 14.433 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.122 15.008 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.224 14.061 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.659 12.476 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.511 12.897 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.182 14.416 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.636 11.779 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.414 12.340 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.610 12.927 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.718 14.330 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.901 13.786 9.286 1.00 0.00 H new ATOM 417 N ASN A 27 -10.055 10.769 4.741 1.00 0.00 N ATOM 418 CA ASN A 27 -9.314 9.566 5.150 1.00 0.00 C ATOM 419 C ASN A 27 -9.056 8.641 3.961 1.00 0.00 C ATOM 420 O ASN A 27 -9.752 7.632 3.810 1.00 0.00 O ATOM 421 CB ASN A 27 -10.011 8.833 6.310 1.00 0.00 C ATOM 422 CG ASN A 27 -9.739 9.501 7.644 1.00 0.00 C ATOM 423 OD1 ASN A 27 -10.661 9.900 8.341 1.00 0.00 O ATOM 424 ND2 ASN A 27 -8.477 9.672 8.003 1.00 0.00 N ATOM 0 H ASN A 27 -10.996 10.574 4.400 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.343 9.891 5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.086 8.806 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.668 7.799 6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.256 10.146 8.879 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.726 9.330 7.404 1.00 0.00 H new ATOM 431 N PRO A 28 -8.093 8.984 3.088 1.00 0.00 N ATOM 432 CA PRO A 28 -7.786 8.215 1.891 1.00 0.00 C ATOM 433 C PRO A 28 -7.204 6.824 2.201 1.00 0.00 C ATOM 434 O PRO A 28 -6.677 6.614 3.295 1.00 0.00 O ATOM 435 CB PRO A 28 -6.759 9.056 1.126 1.00 0.00 C ATOM 436 CG PRO A 28 -6.095 9.907 2.200 1.00 0.00 C ATOM 437 CD PRO A 28 -7.250 10.167 3.149 1.00 0.00 C ATOM 0 HA PRO A 28 -8.696 8.026 1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.033 8.426 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.238 9.675 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.275 9.381 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.684 10.831 1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.890 10.338 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.805 11.057 2.853 1.00 0.00 H new ATOM 445 N PRO A 29 -7.223 5.904 1.215 1.00 0.00 N ATOM 446 CA PRO A 29 -6.549 4.604 1.263 1.00 0.00 C ATOM 447 C PRO A 29 -5.013 4.711 1.294 1.00 0.00 C ATOM 448 O PRO A 29 -4.315 4.287 0.372 1.00 0.00 O ATOM 449 CB PRO A 29 -7.056 3.823 0.040 1.00 0.00 C ATOM 450 CG PRO A 29 -7.655 4.867 -0.888 1.00 0.00 C ATOM 451 CD PRO A 29 -8.060 6.007 0.027 1.00 0.00 C ATOM 0 HA PRO A 29 -6.788 4.088 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.243 3.285 -0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.801 3.081 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.931 5.196 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.513 4.470 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.917 6.969 -0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.116 5.937 0.289 1.00 0.00 H new ATOM 459 N GLU A 30 -4.438 5.276 2.348 1.00 0.00 N ATOM 460 CA GLU A 30 -2.992 5.376 2.482 1.00 0.00 C ATOM 461 C GLU A 30 -2.371 4.021 2.885 1.00 0.00 C ATOM 462 O GLU A 30 -3.053 3.049 3.241 1.00 0.00 O ATOM 463 CB GLU A 30 -2.649 6.541 3.428 1.00 0.00 C ATOM 464 CG GLU A 30 -2.903 6.219 4.900 1.00 0.00 C ATOM 465 CD GLU A 30 -2.626 7.413 5.810 1.00 0.00 C ATOM 466 OE1 GLU A 30 -3.439 8.362 5.852 1.00 0.00 O ATOM 467 OE2 GLU A 30 -1.583 7.402 6.511 1.00 0.00 O ATOM 0 H GLU A 30 -4.958 5.675 3.129 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.539 5.609 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.601 6.809 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.239 7.414 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.938 5.901 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.273 5.382 5.201 1.00 0.00 H new ATOM 474 N ILE A 31 -1.047 3.963 2.824 1.00 0.00 N ATOM 475 CA ILE A 31 -0.191 2.895 3.311 1.00 0.00 C ATOM 476 C ILE A 31 1.024 3.559 3.970 1.00 0.00 C ATOM 477 O ILE A 31 1.350 4.725 3.724 1.00 0.00 O ATOM 478 CB ILE A 31 0.154 1.908 2.158 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.848 0.627 2.672 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.003 2.537 1.038 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.080 -0.412 1.572 1.00 0.00 C ATOM 0 H ILE A 31 -0.506 4.718 2.401 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.684 2.276 4.061 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.812 1.643 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.805 0.894 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.240 0.183 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.204 1.790 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.461 3.374 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.946 2.893 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.571 -1.288 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.123 -0.705 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.712 0.017 0.794 1.00 0.00 H new ATOM 493 N SER A 32 1.710 2.821 4.825 1.00 0.00 N ATOM 494 CA SER A 32 3.012 3.141 5.360 1.00 0.00 C ATOM 495 C SER A 32 3.732 1.820 5.627 1.00 0.00 C ATOM 496 O SER A 32 3.161 0.736 5.443 1.00 0.00 O ATOM 497 CB SER A 32 2.850 4.010 6.609 1.00 0.00 C ATOM 498 OG SER A 32 2.002 3.453 7.600 1.00 0.00 O ATOM 0 H SER A 32 1.350 1.936 5.181 1.00 0.00 H new ATOM 0 HA SER A 32 3.615 3.723 4.663 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.833 4.186 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.454 4.982 6.313 1.00 0.00 H new ATOM 0 HG SER A 32 1.631 2.606 7.275 1.00 0.00 H new ATOM 504 N PHE A 33 4.980 1.896 6.069 1.00 0.00 N ATOM 505 CA PHE A 33 5.749 0.733 6.458 1.00 0.00 C ATOM 506 C PHE A 33 6.423 1.083 7.772 1.00 0.00 C ATOM 507 O PHE A 33 6.770 2.240 8.000 1.00 0.00 O ATOM 508 CB PHE A 33 6.761 0.369 5.363 1.00 0.00 C ATOM 509 CG PHE A 33 6.162 0.233 3.975 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.984 1.367 3.155 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.739 -1.026 3.522 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.348 1.241 1.907 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.110 -1.152 2.272 1.00 0.00 C ATOM 514 CZ PHE A 33 4.903 -0.017 1.470 1.00 0.00 C ATOM 0 H PHE A 33 5.487 2.776 6.167 1.00 0.00 H new ATOM 0 HA PHE A 33 5.118 -0.146 6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.539 1.132 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.245 -0.571 5.630 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.336 2.333 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.897 -1.900 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.202 2.112 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.785 -2.123 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.402 -0.112 0.518 1.00 0.00 H new ATOM 524 N GLY A 34 6.624 0.074 8.608 1.00 0.00 N ATOM 525 CA GLY A 34 7.274 0.166 9.895 1.00 0.00 C ATOM 526 C GLY A 34 7.652 -1.250 10.319 1.00 0.00 C ATOM 527 O GLY A 34 7.464 -2.199 9.538 1.00 0.00 O ATOM 0 H GLY A 34 6.321 -0.875 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.160 0.797 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.609 0.622 10.629 1.00 0.00 H new ATOM 531 N GLU A 35 8.200 -1.382 11.531 1.00 0.00 N ATOM 532 CA GLU A 35 8.792 -2.617 12.044 1.00 0.00 C ATOM 533 C GLU A 35 9.735 -3.227 10.993 1.00 0.00 C ATOM 534 O GLU A 35 10.295 -2.485 10.186 1.00 0.00 O ATOM 535 CB GLU A 35 7.729 -3.532 12.690 1.00 0.00 C ATOM 536 CG GLU A 35 7.973 -3.562 14.211 1.00 0.00 C ATOM 537 CD GLU A 35 6.952 -4.377 15.005 1.00 0.00 C ATOM 538 OE1 GLU A 35 5.731 -4.226 14.767 1.00 0.00 O ATOM 539 OE2 GLU A 35 7.360 -5.119 15.925 1.00 0.00 O ATOM 0 H GLU A 35 8.244 -0.612 12.198 1.00 0.00 H new ATOM 0 HA GLU A 35 9.451 -2.418 12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.727 -3.161 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.792 -4.538 12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.967 -3.969 14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.972 -2.539 14.586 1.00 0.00 H new ATOM 546 N LYS A 36 10.122 -4.499 11.084 1.00 0.00 N ATOM 547 CA LYS A 36 11.096 -5.128 10.208 1.00 0.00 C ATOM 548 C LYS A 36 10.570 -5.309 8.766 1.00 0.00 C ATOM 549 O LYS A 36 10.564 -6.440 8.272 1.00 0.00 O ATOM 550 CB LYS A 36 11.516 -6.470 10.834 1.00 0.00 C ATOM 551 CG LYS A 36 12.190 -6.365 12.220 1.00 0.00 C ATOM 552 CD LYS A 36 13.705 -6.620 12.190 1.00 0.00 C ATOM 553 CE LYS A 36 14.485 -5.420 11.640 1.00 0.00 C ATOM 554 NZ LYS A 36 15.924 -5.716 11.471 1.00 0.00 N ATOM 0 H LYS A 36 9.753 -5.134 11.791 1.00 0.00 H new ATOM 0 HA LYS A 36 11.963 -4.474 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.633 -7.103 10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.201 -6.973 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.006 -5.372 12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.723 -7.081 12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.053 -6.846 13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.912 -7.497 11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.062 -5.124 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.367 -4.573 12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.410 -4.876 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.336 -5.973 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.040 -6.507 10.806 1.00 0.00 H new ATOM 568 N MET A 37 10.129 -4.249 8.076 1.00 0.00 N ATOM 569 CA MET A 37 9.194 -4.282 6.952 1.00 0.00 C ATOM 570 C MET A 37 7.986 -5.176 7.285 1.00 0.00 C ATOM 571 O MET A 37 7.981 -6.363 6.952 1.00 0.00 O ATOM 572 CB MET A 37 9.871 -4.788 5.669 1.00 0.00 C ATOM 573 CG MET A 37 10.693 -3.748 4.931 1.00 0.00 C ATOM 574 SD MET A 37 9.769 -2.324 4.299 1.00 0.00 S ATOM 575 CE MET A 37 8.834 -3.166 2.991 1.00 0.00 C ATOM 0 H MET A 37 10.431 -3.301 8.300 1.00 0.00 H new ATOM 0 HA MET A 37 8.854 -3.261 6.780 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.517 -5.628 5.923 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.103 -5.169 4.996 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.472 -3.384 5.601 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.194 -4.234 4.094 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.306 -2.427 2.388 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.520 -3.728 2.358 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.113 -3.849 3.441 1.00 0.00 H new ATOM 585 N MET A 38 6.952 -4.629 7.925 1.00 0.00 N ATOM 586 CA MET A 38 5.782 -5.403 8.383 1.00 0.00 C ATOM 587 C MET A 38 4.442 -4.889 7.843 1.00 0.00 C ATOM 588 O MET A 38 3.401 -5.470 8.133 1.00 0.00 O ATOM 589 CB MET A 38 5.802 -5.394 9.913 1.00 0.00 C ATOM 590 CG MET A 38 6.271 -6.740 10.467 1.00 0.00 C ATOM 591 SD MET A 38 5.019 -7.832 11.198 1.00 0.00 S ATOM 592 CE MET A 38 3.573 -7.632 10.124 1.00 0.00 C ATOM 0 H MET A 38 6.896 -3.634 8.144 1.00 0.00 H new ATOM 0 HA MET A 38 5.862 -6.416 7.988 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.463 -4.602 10.266 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.805 -5.169 10.291 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.760 -7.284 9.659 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.030 -6.545 11.225 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.863 -8.436 10.317 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.099 -6.672 10.327 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.887 -7.668 9.081 1.00 0.00 H new ATOM 602 N ILE A 39 4.527 -3.884 6.975 1.00 0.00 N ATOM 603 CA ILE A 39 3.531 -3.118 6.237 1.00 0.00 C ATOM 604 C ILE A 39 2.371 -2.661 7.140 1.00 0.00 C ATOM 605 O ILE A 39 1.790 -3.443 7.887 1.00 0.00 O ATOM 606 CB ILE A 39 3.077 -3.910 4.986 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.241 -4.504 4.146 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.224 -2.973 4.113 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.787 -5.404 2.989 1.00 0.00 C ATOM 0 H ILE A 39 5.455 -3.534 6.738 1.00 0.00 H new ATOM 0 HA ILE A 39 3.985 -2.193 5.881 1.00 0.00 H new ATOM 0 HB ILE A 39 2.508 -4.771 5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.837 -3.686 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.893 -5.079 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.891 -3.508 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.356 -2.637 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.820 -2.110 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.660 -5.777 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.217 -6.245 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.161 -4.830 2.306 1.00 0.00 H new ATOM 621 N SER A 40 1.970 -1.397 7.054 1.00 0.00 N ATOM 622 CA SER A 40 0.863 -0.903 7.858 1.00 0.00 C ATOM 623 C SER A 40 0.040 0.032 6.970 1.00 0.00 C ATOM 624 O SER A 40 0.476 1.155 6.700 1.00 0.00 O ATOM 625 CB SER A 40 1.416 -0.176 9.105 1.00 0.00 C ATOM 626 OG SER A 40 2.420 -0.927 9.777 1.00 0.00 O ATOM 0 H SER A 40 2.393 -0.702 6.439 1.00 0.00 H new ATOM 0 HA SER A 40 0.228 -1.714 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.828 0.788 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.597 0.028 9.795 1.00 0.00 H new ATOM 0 HG SER A 40 2.738 -0.425 10.556 1.00 0.00 H new ATOM 632 N GLY A 41 -1.101 -0.420 6.441 1.00 0.00 N ATOM 633 CA GLY A 41 -1.948 0.416 5.597 1.00 0.00 C ATOM 634 C GLY A 41 -3.428 0.126 5.787 1.00 0.00 C ATOM 635 O GLY A 41 -3.810 -0.806 6.502 1.00 0.00 O ATOM 0 H GLY A 41 -1.457 -1.365 6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.755 1.465 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.682 0.259 4.552 1.00 0.00 H new ATOM 639 N SER A 42 -4.272 0.932 5.139 1.00 0.00 N ATOM 640 CA SER A 42 -5.715 0.811 5.235 1.00 0.00 C ATOM 641 C SER A 42 -6.383 1.274 3.939 1.00 0.00 C ATOM 642 O SER A 42 -6.829 2.410 3.833 1.00 0.00 O ATOM 643 CB SER A 42 -6.205 1.561 6.488 1.00 0.00 C ATOM 644 OG SER A 42 -5.669 2.871 6.609 1.00 0.00 O ATOM 0 H SER A 42 -3.964 1.690 4.530 1.00 0.00 H new ATOM 0 HA SER A 42 -6.002 -0.234 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.293 1.623 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.939 0.985 7.374 1.00 0.00 H new ATOM 0 HG SER A 42 -6.019 3.294 7.421 1.00 0.00 H new ATOM 650 N MET A 43 -6.500 0.372 2.957 1.00 0.00 N ATOM 651 CA MET A 43 -7.337 0.584 1.777 1.00 0.00 C ATOM 652 C MET A 43 -8.780 0.794 2.234 1.00 0.00 C ATOM 653 O MET A 43 -9.465 1.728 1.824 1.00 0.00 O ATOM 654 CB MET A 43 -7.259 -0.624 0.835 1.00 0.00 C ATOM 655 CG MET A 43 -6.003 -0.641 -0.036 1.00 0.00 C ATOM 656 SD MET A 43 -5.950 0.646 -1.305 1.00 0.00 S ATOM 657 CE MET A 43 -5.271 -0.316 -2.676 1.00 0.00 C ATOM 0 H MET A 43 -6.015 -0.525 2.961 1.00 0.00 H new ATOM 0 HA MET A 43 -6.983 1.461 1.235 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.293 -1.539 1.427 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.138 -0.629 0.190 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.129 -0.535 0.607 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.926 -1.614 -0.521 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.381 0.245 -3.604 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.214 -0.513 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.807 -1.261 -2.758 1.00 0.00 H new ATOM 667 N CYS A 44 -9.199 -0.088 3.139 1.00 0.00 N ATOM 668 CA CYS A 44 -10.338 0.088 4.005 1.00 0.00 C ATOM 669 C CYS A 44 -10.045 -0.661 5.296 1.00 0.00 C ATOM 670 O CYS A 44 -9.806 -0.072 6.350 1.00 0.00 O ATOM 671 CB CYS A 44 -11.578 -0.439 3.287 1.00 0.00 C ATOM 672 SG CYS A 44 -13.068 -0.459 4.249 1.00 0.00 S ATOM 0 H CYS A 44 -8.726 -0.980 3.287 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.524 1.134 4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.748 0.170 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.374 -1.453 2.944 1.00 0.00 H new ATOM 677 N ASN A 45 -9.978 -1.982 5.188 1.00 0.00 N ATOM 678 CA ASN A 45 -10.213 -2.908 6.289 1.00 0.00 C ATOM 679 C ASN A 45 -8.940 -3.174 7.091 1.00 0.00 C ATOM 680 O ASN A 45 -8.831 -4.199 7.754 1.00 0.00 O ATOM 681 CB ASN A 45 -10.812 -4.224 5.764 1.00 0.00 C ATOM 682 CG ASN A 45 -11.945 -4.003 4.770 1.00 0.00 C ATOM 683 OD1 ASN A 45 -11.715 -3.460 3.707 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.191 -4.298 5.066 1.00 0.00 N ATOM 0 H ASN A 45 -9.753 -2.451 4.311 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.929 -2.441 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.026 -4.811 5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.182 -4.810 6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.938 -4.071 4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.411 -4.754 5.952 1.00 0.00 H new ATOM 691 N ARG A 46 -7.968 -2.268 7.030 1.00 0.00 N ATOM 692 CA ARG A 46 -6.563 -2.442 7.406 1.00 0.00 C ATOM 693 C ARG A 46 -5.918 -3.663 6.760 1.00 0.00 C ATOM 694 O ARG A 46 -6.575 -4.562 6.243 1.00 0.00 O ATOM 695 CB ARG A 46 -6.383 -2.458 8.936 1.00 0.00 C ATOM 696 CG ARG A 46 -6.449 -1.041 9.518 1.00 0.00 C ATOM 697 CD ARG A 46 -5.083 -0.467 9.927 1.00 0.00 C ATOM 698 NE ARG A 46 -4.725 -0.890 11.291 1.00 0.00 N ATOM 699 CZ ARG A 46 -3.514 -0.932 11.854 1.00 0.00 C ATOM 700 NH1 ARG A 46 -2.420 -0.640 11.173 1.00 0.00 N ATOM 701 NH2 ARG A 46 -3.389 -1.274 13.128 1.00 0.00 N ATOM 0 H ARG A 46 -8.152 -1.323 6.692 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.036 -1.572 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.158 -3.076 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.425 -2.913 9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.904 -0.378 8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.104 -1.048 10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.318 -0.801 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.110 0.621 9.874 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.501 -1.189 11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.487 -0.374 10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.509 -0.681 11.630 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.217 -1.505 13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.465 -1.306 13.559 1.00 0.00 H new ATOM 715 N PHE A 47 -4.594 -3.660 6.765 1.00 0.00 N ATOM 716 CA PHE A 47 -3.760 -4.793 6.400 1.00 0.00 C ATOM 717 C PHE A 47 -2.349 -4.565 6.901 1.00 0.00 C ATOM 718 O PHE A 47 -1.962 -3.444 7.256 1.00 0.00 O ATOM 719 CB PHE A 47 -3.778 -5.028 4.876 1.00 0.00 C ATOM 720 CG PHE A 47 -3.256 -3.845 4.084 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.879 -3.699 3.839 1.00 0.00 C ATOM 722 CD2 PHE A 47 -4.151 -2.849 3.649 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.402 -2.588 3.125 1.00 0.00 C ATOM 724 CE2 PHE A 47 -3.668 -1.748 2.922 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.300 -1.622 2.645 1.00 0.00 C ATOM 0 H PHE A 47 -4.052 -2.839 7.033 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.160 -5.692 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.177 -5.907 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.798 -5.247 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.186 -4.444 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.204 -2.931 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.343 -2.477 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.357 -0.992 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.939 -0.786 2.065 1.00 0.00 H new ATOM 735 N SER A 48 -1.606 -5.662 6.924 1.00 0.00 N ATOM 736 CA SER A 48 -0.198 -5.746 7.215 1.00 0.00 C ATOM 737 C SER A 48 0.333 -7.055 6.624 1.00 0.00 C ATOM 738 O SER A 48 -0.445 -7.974 6.355 1.00 0.00 O ATOM 739 CB SER A 48 -0.027 -5.816 8.726 1.00 0.00 C ATOM 740 OG SER A 48 -0.135 -4.546 9.339 1.00 0.00 O ATOM 0 H SER A 48 -2.009 -6.578 6.724 1.00 0.00 H new ATOM 0 HA SER A 48 0.331 -4.887 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.780 -6.484 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.946 -6.248 8.959 1.00 0.00 H new ATOM 0 HG SER A 48 0.608 -3.978 9.048 1.00 0.00 H new ATOM 746 N GLY A 49 1.650 -7.217 6.513 1.00 0.00 N ATOM 747 CA GLY A 49 2.223 -8.522 6.229 1.00 0.00 C ATOM 748 C GLY A 49 3.739 -8.436 6.189 1.00 0.00 C ATOM 749 O GLY A 49 4.298 -7.342 6.164 1.00 0.00 O ATOM 0 H GLY A 49 2.332 -6.465 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.913 -9.236 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.848 -8.891 5.275 1.00 0.00 H new ATOM 753 N GLU A 50 4.416 -9.581 6.190 1.00 0.00 N ATOM 754 CA GLU A 50 5.868 -9.646 6.082 1.00 0.00 C ATOM 755 C GLU A 50 6.302 -9.045 4.748 1.00 0.00 C ATOM 756 O GLU A 50 6.235 -9.723 3.722 1.00 0.00 O ATOM 757 CB GLU A 50 6.348 -11.094 6.212 1.00 0.00 C ATOM 758 CG GLU A 50 6.368 -11.531 7.674 1.00 0.00 C ATOM 759 CD GLU A 50 6.734 -13.010 7.777 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.902 -13.360 7.488 1.00 0.00 O ATOM 761 OE2 GLU A 50 5.861 -13.844 8.106 1.00 0.00 O ATOM 0 H GLU A 50 3.969 -10.495 6.266 1.00 0.00 H new ATOM 0 HA GLU A 50 6.319 -9.072 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.693 -11.751 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.347 -11.190 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.088 -10.931 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.391 -11.358 8.126 1.00 0.00 H new ATOM 768 N GLY A 51 6.722 -7.779 4.791 1.00 0.00 N ATOM 769 CA GLY A 51 7.117 -7.004 3.626 1.00 0.00 C ATOM 770 C GLY A 51 8.279 -7.653 2.913 1.00 0.00 C ATOM 771 O GLY A 51 8.151 -8.136 1.790 1.00 0.00 O ATOM 0 H GLY A 51 6.797 -7.256 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.273 -6.911 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.392 -5.995 3.932 1.00 0.00 H new ATOM 775 N LYS A 52 9.425 -7.635 3.603 1.00 0.00 N ATOM 776 CA LYS A 52 10.737 -7.936 3.055 1.00 0.00 C ATOM 777 C LYS A 52 11.096 -6.886 2.008 1.00 0.00 C ATOM 778 O LYS A 52 10.246 -6.123 1.550 1.00 0.00 O ATOM 779 CB LYS A 52 10.729 -9.360 2.461 1.00 0.00 C ATOM 780 CG LYS A 52 12.092 -10.063 2.451 1.00 0.00 C ATOM 781 CD LYS A 52 12.151 -11.223 3.452 1.00 0.00 C ATOM 782 CE LYS A 52 12.126 -10.716 4.900 1.00 0.00 C ATOM 783 NZ LYS A 52 12.212 -11.822 5.874 1.00 0.00 N ATOM 0 H LYS A 52 9.457 -7.401 4.595 1.00 0.00 H new ATOM 0 HA LYS A 52 11.495 -7.905 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.026 -9.970 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.355 -9.309 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.298 -10.439 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.873 -9.341 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.307 -11.893 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.058 -11.804 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.957 -10.028 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.209 -10.152 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.192 -11.436 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.406 -12.465 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.099 -12.345 5.728 1.00 0.00 H new ATOM 797 N LEU A 53 12.372 -6.818 1.643 1.00 0.00 N ATOM 798 CA LEU A 53 12.813 -6.128 0.446 1.00 0.00 C ATOM 799 C LEU A 53 14.232 -6.581 0.157 1.00 0.00 C ATOM 800 O LEU A 53 15.136 -6.267 0.933 1.00 0.00 O ATOM 801 CB LEU A 53 12.731 -4.605 0.636 1.00 0.00 C ATOM 802 CG LEU A 53 13.152 -3.792 -0.603 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.709 -4.363 -1.957 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.547 -2.398 -0.479 1.00 0.00 C ATOM 0 H LEU A 53 13.130 -7.244 2.176 1.00 0.00 H new ATOM 0 HA LEU A 53 12.169 -6.369 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.708 -4.338 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.364 -4.320 1.476 1.00 0.00 H new ATOM 0 HG LEU A 53 14.242 -3.809 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.059 -3.712 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.132 -5.359 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.621 -4.424 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.830 -1.800 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.461 -2.476 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.917 -1.920 0.428 1.00 0.00 H new ATOM 816 N SER A 54 14.445 -7.338 -0.917 1.00 0.00 N ATOM 817 CA SER A 54 15.781 -7.781 -1.289 1.00 0.00 C ATOM 818 C SER A 54 15.950 -7.943 -2.803 1.00 0.00 C ATOM 819 O SER A 54 17.091 -8.135 -3.233 1.00 0.00 O ATOM 820 CB SER A 54 16.092 -9.098 -0.549 1.00 0.00 C ATOM 821 OG SER A 54 17.488 -9.274 -0.326 1.00 0.00 O ATOM 0 H SER A 54 13.706 -7.656 -1.544 1.00 0.00 H new ATOM 0 HA SER A 54 16.493 -7.011 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.569 -9.107 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.710 -9.938 -1.129 1.00 0.00 H new ATOM 0 HG SER A 54 17.640 -10.119 0.146 1.00 0.00 H new ATOM 827 N ASN A 55 14.877 -7.911 -3.602 1.00 0.00 N ATOM 828 CA ASN A 55 14.882 -8.254 -5.025 1.00 0.00 C ATOM 829 C ASN A 55 13.688 -7.575 -5.717 1.00 0.00 C ATOM 830 O ASN A 55 12.922 -8.231 -6.412 1.00 0.00 O ATOM 831 CB ASN A 55 14.824 -9.789 -5.132 1.00 0.00 C ATOM 832 CG ASN A 55 15.201 -10.364 -6.492 1.00 0.00 C ATOM 833 OD1 ASN A 55 16.273 -10.944 -6.623 1.00 0.00 O ATOM 834 ND2 ASN A 55 14.327 -10.317 -7.471 1.00 0.00 N ATOM 0 H ASN A 55 13.954 -7.637 -3.264 1.00 0.00 H new ATOM 0 HA ASN A 55 15.784 -7.900 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 55 15.489 -10.214 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.814 -10.116 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 55 14.534 -10.769 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.441 -9.829 -7.341 1.00 0.00 H new ATOM 841 N GLY A 56 13.461 -6.282 -5.464 1.00 0.00 N ATOM 842 CA GLY A 56 12.489 -5.472 -6.208 1.00 0.00 C ATOM 843 C GLY A 56 11.016 -5.856 -6.026 1.00 0.00 C ATOM 844 O GLY A 56 10.154 -5.274 -6.683 1.00 0.00 O ATOM 0 H GLY A 56 13.949 -5.764 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.612 -4.430 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.731 -5.533 -7.269 1.00 0.00 H new ATOM 848 N GLU A 57 10.707 -6.800 -5.131 1.00 0.00 N ATOM 849 CA GLU A 57 9.416 -7.477 -5.090 1.00 0.00 C ATOM 850 C GLU A 57 8.900 -7.491 -3.646 1.00 0.00 C ATOM 851 O GLU A 57 9.493 -8.142 -2.775 1.00 0.00 O ATOM 852 CB GLU A 57 9.600 -8.886 -5.661 1.00 0.00 C ATOM 853 CG GLU A 57 8.287 -9.677 -5.779 1.00 0.00 C ATOM 854 CD GLU A 57 8.554 -11.184 -5.744 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.513 -11.663 -6.389 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.876 -11.897 -4.970 1.00 0.00 O ATOM 0 H GLU A 57 11.356 -7.115 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 57 8.670 -6.959 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.060 -8.813 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.292 -9.439 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.618 -9.403 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.781 -9.414 -6.708 1.00 0.00 H new ATOM 863 N LEU A 58 7.840 -6.730 -3.379 1.00 0.00 N ATOM 864 CA LEU A 58 7.157 -6.620 -2.098 1.00 0.00 C ATOM 865 C LEU A 58 6.061 -7.681 -2.051 1.00 0.00 C ATOM 866 O LEU A 58 5.019 -7.527 -2.694 1.00 0.00 O ATOM 867 CB LEU A 58 6.548 -5.213 -1.958 1.00 0.00 C ATOM 868 CG LEU A 58 5.845 -4.963 -0.611 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.869 -4.802 0.521 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.991 -3.692 -0.710 1.00 0.00 C ATOM 0 H LEU A 58 7.413 -6.141 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 58 7.856 -6.775 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.338 -4.473 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.831 -5.057 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 58 5.213 -5.822 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.347 -4.626 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.467 -5.709 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.521 -3.956 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.493 -3.513 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.630 -2.842 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.243 -3.816 -1.493 1.00 0.00 H new ATOM 882 N THR A 59 6.285 -8.756 -1.306 1.00 0.00 N ATOM 883 CA THR A 59 5.246 -9.726 -1.004 1.00 0.00 C ATOM 884 C THR A 59 4.543 -9.361 0.307 1.00 0.00 C ATOM 885 O THR A 59 5.012 -8.528 1.086 1.00 0.00 O ATOM 886 CB THR A 59 5.843 -11.152 -0.983 1.00 0.00 C ATOM 887 OG1 THR A 59 7.199 -11.187 -0.551 1.00 0.00 O ATOM 888 CG2 THR A 59 5.752 -11.757 -2.379 1.00 0.00 C ATOM 0 H THR A 59 7.192 -8.978 -0.895 1.00 0.00 H new ATOM 0 HA THR A 59 4.487 -9.706 -1.786 1.00 0.00 H new ATOM 0 HB THR A 59 5.261 -11.728 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.520 -12.113 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.172 -12.763 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.708 -11.803 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.311 -11.138 -3.081 1.00 0.00 H new ATOM 896 N ALA A 60 3.425 -10.033 0.582 1.00 0.00 N ATOM 897 CA ALA A 60 2.998 -10.339 1.934 1.00 0.00 C ATOM 898 C ALA A 60 2.833 -11.848 2.022 1.00 0.00 C ATOM 899 O ALA A 60 2.206 -12.465 1.158 1.00 0.00 O ATOM 900 CB ALA A 60 1.686 -9.643 2.274 1.00 0.00 C ATOM 0 H ALA A 60 2.790 -10.380 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 60 3.740 -9.983 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.395 -9.894 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.814 -8.564 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.910 -9.973 1.584 1.00 0.00 H new ATOM 906 N LYS A 61 3.401 -12.450 3.064 1.00 0.00 N ATOM 907 CA LYS A 61 3.228 -13.863 3.361 1.00 0.00 C ATOM 908 C LYS A 61 1.872 -14.035 4.047 1.00 0.00 C ATOM 909 O LYS A 61 1.817 -14.045 5.275 1.00 0.00 O ATOM 910 CB LYS A 61 4.425 -14.342 4.195 1.00 0.00 C ATOM 911 CG LYS A 61 4.465 -15.871 4.350 1.00 0.00 C ATOM 912 CD LYS A 61 5.385 -16.285 5.503 1.00 0.00 C ATOM 913 CE LYS A 61 6.870 -16.015 5.233 1.00 0.00 C ATOM 914 NZ LYS A 61 7.638 -15.907 6.493 1.00 0.00 N ATOM 0 H LYS A 61 4.000 -11.963 3.731 1.00 0.00 H new ATOM 0 HA LYS A 61 3.215 -14.485 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.349 -14.004 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.383 -13.882 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.458 -16.248 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.813 -16.325 3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.086 -15.751 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.248 -17.348 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.282 -16.818 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.975 -15.093 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.908 -14.915 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.052 -16.236 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.495 -16.493 6.429 1.00 0.00 H new ATOM 928 N GLY A 62 0.786 -14.113 3.281 1.00 0.00 N ATOM 929 CA GLY A 62 -0.563 -14.395 3.785 1.00 0.00 C ATOM 930 C GLY A 62 -1.452 -13.152 3.844 1.00 0.00 C ATOM 931 O GLY A 62 -2.551 -13.182 3.292 1.00 0.00 O ATOM 0 H GLY A 62 0.816 -13.980 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.034 -15.142 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.489 -14.829 4.782 1.00 0.00 H new ATOM 935 N LEU A 63 -0.936 -12.058 4.423 1.00 0.00 N ATOM 936 CA LEU A 63 -1.522 -10.768 4.690 1.00 0.00 C ATOM 937 C LEU A 63 -2.683 -10.811 5.697 1.00 0.00 C ATOM 938 O LEU A 63 -3.799 -11.199 5.358 1.00 0.00 O ATOM 939 CB LEU A 63 -1.909 -10.161 3.359 1.00 0.00 C ATOM 940 CG LEU A 63 -2.236 -8.689 3.502 1.00 0.00 C ATOM 941 CD1 LEU A 63 -0.993 -7.873 3.192 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.352 -8.317 2.528 1.00 0.00 C ATOM 0 H LEU A 63 0.029 -12.078 4.752 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.788 -10.135 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.093 -10.287 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.771 -10.690 2.952 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.566 -8.481 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.220 -6.812 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.198 -8.142 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.667 -8.079 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.587 -7.258 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.026 -8.519 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.240 -8.909 2.749 1.00 0.00 H new ATOM 954 N ALA A 64 -2.437 -10.338 6.925 1.00 0.00 N ATOM 955 CA ALA A 64 -3.502 -10.151 7.906 1.00 0.00 C ATOM 956 C ALA A 64 -4.272 -8.870 7.567 1.00 0.00 C ATOM 957 O ALA A 64 -3.665 -7.891 7.126 1.00 0.00 O ATOM 958 CB ALA A 64 -2.896 -10.054 9.309 1.00 0.00 C ATOM 0 H ALA A 64 -1.509 -10.079 7.259 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.187 -10.999 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.692 -9.914 10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.353 -10.971 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.211 -9.207 9.352 1.00 0.00 H new ATOM 964 N MET A 65 -5.583 -8.846 7.824 1.00 0.00 N ATOM 965 CA MET A 65 -6.501 -7.721 7.592 1.00 0.00 C ATOM 966 C MET A 65 -7.494 -7.649 8.770 1.00 0.00 C ATOM 967 O MET A 65 -7.225 -8.247 9.815 1.00 0.00 O ATOM 968 CB MET A 65 -7.201 -7.880 6.225 1.00 0.00 C ATOM 969 CG MET A 65 -6.211 -7.964 5.055 1.00 0.00 C ATOM 970 SD MET A 65 -6.939 -7.891 3.396 1.00 0.00 S ATOM 971 CE MET A 65 -7.301 -6.121 3.241 1.00 0.00 C ATOM 0 H MET A 65 -6.061 -9.655 8.222 1.00 0.00 H new ATOM 0 HA MET A 65 -5.958 -6.777 7.550 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.816 -8.780 6.240 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.873 -7.037 6.066 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.493 -7.149 5.152 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.651 -8.895 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.769 -5.929 2.276 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.977 -5.817 4.040 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.374 -5.552 3.314 1.00 0.00 H new ATOM 981 N THR A 66 -8.609 -6.917 8.663 1.00 0.00 N ATOM 982 CA THR A 66 -9.733 -6.974 9.611 1.00 0.00 C ATOM 983 C THR A 66 -11.058 -7.137 8.844 1.00 0.00 C ATOM 984 O THR A 66 -11.059 -7.503 7.666 1.00 0.00 O ATOM 985 CB THR A 66 -9.735 -5.787 10.601 1.00 0.00 C ATOM 986 OG1 THR A 66 -10.082 -4.576 9.984 1.00 0.00 O ATOM 987 CG2 THR A 66 -8.407 -5.582 11.335 1.00 0.00 C ATOM 0 H THR A 66 -8.760 -6.255 7.902 1.00 0.00 H new ATOM 0 HA THR A 66 -9.610 -7.855 10.242 1.00 0.00 H new ATOM 0 HB THR A 66 -10.492 -6.066 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.355 -4.291 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.492 -4.730 12.010 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.166 -6.477 11.909 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.616 -5.393 10.610 1.00 0.00 H new ATOM 995 N ARG A 67 -12.200 -6.921 9.506 1.00 0.00 N ATOM 996 CA ARG A 67 -13.550 -7.041 8.959 1.00 0.00 C ATOM 997 C ARG A 67 -14.382 -5.852 9.435 1.00 0.00 C ATOM 998 O ARG A 67 -15.143 -5.956 10.399 1.00 0.00 O ATOM 999 CB ARG A 67 -14.150 -8.447 9.211 1.00 0.00 C ATOM 1000 CG ARG A 67 -13.830 -9.172 10.537 1.00 0.00 C ATOM 1001 CD ARG A 67 -14.848 -8.926 11.648 1.00 0.00 C ATOM 1002 NE ARG A 67 -15.877 -9.979 11.704 1.00 0.00 N ATOM 1003 CZ ARG A 67 -16.607 -10.281 12.780 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -16.536 -9.525 13.866 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -17.396 -11.348 12.765 1.00 0.00 N ATOM 0 H ARG A 67 -12.204 -6.644 10.488 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.539 -6.981 7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.234 -8.360 9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.826 -9.094 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.769 -10.243 10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.847 -8.854 10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.332 -8.874 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.328 -7.960 11.491 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.045 -10.519 10.855 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.923 -8.710 13.881 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.095 -9.758 14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.444 -11.935 11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.955 -11.581 13.586 1.00 0.00 H new ATOM 1019 N MET A 68 -14.178 -4.683 8.828 1.00 0.00 N ATOM 1020 CA MET A 68 -14.843 -3.432 9.201 1.00 0.00 C ATOM 1021 C MET A 68 -15.573 -2.794 8.013 1.00 0.00 C ATOM 1022 O MET A 68 -15.237 -3.036 6.856 1.00 0.00 O ATOM 1023 CB MET A 68 -13.821 -2.461 9.812 1.00 0.00 C ATOM 1024 CG MET A 68 -12.653 -2.162 8.864 1.00 0.00 C ATOM 1025 SD MET A 68 -11.648 -0.717 9.295 1.00 0.00 S ATOM 1026 CE MET A 68 -10.931 -1.254 10.870 1.00 0.00 C ATOM 0 H MET A 68 -13.532 -4.576 8.046 1.00 0.00 H new ATOM 0 HA MET A 68 -15.603 -3.662 9.948 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.322 -1.528 10.072 1.00 0.00 H new ATOM 0 HB3 MET A 68 -13.433 -2.883 10.739 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.004 -3.037 8.829 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.051 -2.019 7.859 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.342 -0.442 11.297 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.730 -1.525 11.560 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.289 -2.118 10.701 1.00 0.00 H new ATOM 1036 N MET A 69 -16.553 -1.937 8.306 1.00 0.00 N ATOM 1037 CA MET A 69 -17.228 -1.106 7.309 1.00 0.00 C ATOM 1038 C MET A 69 -16.295 0.031 6.877 1.00 0.00 C ATOM 1039 O MET A 69 -15.419 0.443 7.642 1.00 0.00 O ATOM 1040 CB MET A 69 -18.509 -0.474 7.891 1.00 0.00 C ATOM 1041 CG MET A 69 -19.750 -1.369 7.878 1.00 0.00 C ATOM 1042 SD MET A 69 -19.772 -2.723 9.082 1.00 0.00 S ATOM 1043 CE MET A 69 -19.263 -4.093 8.011 1.00 0.00 C ATOM 0 H MET A 69 -16.904 -1.799 9.254 1.00 0.00 H new ATOM 0 HA MET A 69 -17.489 -1.741 6.463 1.00 0.00 H new ATOM 0 HB2 MET A 69 -18.310 -0.174 8.920 1.00 0.00 H new ATOM 0 HB3 MET A 69 -18.732 0.434 7.331 1.00 0.00 H new ATOM 0 HG2 MET A 69 -20.626 -0.743 8.050 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.854 -1.796 6.880 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.137 -4.995 8.609 1.00 0.00 H new ATOM 0 HE2 MET A 69 -20.026 -4.265 7.252 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.319 -3.844 7.526 1.00 0.00 H new ATOM 1053 N CYS A 70 -16.593 0.656 5.737 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.107 1.968 5.318 1.00 0.00 C ATOM 1055 C CYS A 70 -17.312 2.906 5.140 1.00 0.00 C ATOM 1056 O CYS A 70 -18.459 2.514 5.370 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.276 1.836 4.032 1.00 0.00 C ATOM 1058 SG CYS A 70 -13.510 1.790 4.331 1.00 0.00 S ATOM 0 H CYS A 70 -17.214 0.236 5.045 1.00 0.00 H new ATOM 0 HA CYS A 70 -15.451 2.394 6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.573 0.928 3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.504 2.673 3.373 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.047 4.153 4.747 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.045 5.093 4.247 1.00 0.00 C ATOM 1065 C ALA A 71 -18.335 4.870 2.756 1.00 0.00 C ATOM 1066 O ALA A 71 -19.438 5.160 2.300 1.00 0.00 O ATOM 1067 CB ALA A 71 -17.553 6.529 4.479 1.00 0.00 C ATOM 0 H ALA A 71 -16.106 4.545 4.769 1.00 0.00 H new ATOM 0 HA ALA A 71 -18.975 4.927 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.297 7.233 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.400 6.693 5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -16.612 6.681 3.950 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.381 4.328 1.990 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.468 4.215 0.530 1.00 0.00 C ATOM 1075 C ASN A 72 -17.393 2.747 0.101 1.00 0.00 C ATOM 1076 O ASN A 72 -16.720 1.968 0.781 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.305 5.006 -0.117 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.728 6.178 -0.996 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -17.894 6.394 -1.295 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.773 6.973 -1.450 1.00 0.00 N ATOM 0 H ASN A 72 -16.514 3.950 2.373 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.422 4.626 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.657 5.382 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.709 4.319 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.010 7.764 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.800 6.795 -1.202 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.984 2.369 -1.049 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.859 1.038 -1.631 1.00 0.00 C ATOM 1089 C PRO A 73 -16.451 0.803 -2.175 1.00 0.00 C ATOM 1090 O PRO A 73 -15.856 -0.226 -1.874 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.892 0.974 -2.760 1.00 0.00 C ATOM 1092 CG PRO A 73 -19.095 2.434 -3.161 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.867 3.189 -1.863 1.00 0.00 C ATOM 0 HA PRO A 73 -18.033 0.265 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.531 0.377 -3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.824 0.520 -2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.390 2.741 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.096 2.607 -3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.420 4.164 -2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.811 3.368 -1.349 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.891 1.768 -2.922 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.604 1.620 -3.603 1.00 0.00 C ATOM 1103 C GLN A 74 -13.527 1.129 -2.632 1.00 0.00 C ATOM 1104 O GLN A 74 -12.675 0.338 -3.005 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.211 2.960 -4.255 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.928 2.873 -5.106 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.522 4.214 -5.726 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.880 5.283 -5.242 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.756 4.211 -6.805 1.00 0.00 N ATOM 0 H GLN A 74 -16.326 2.679 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.696 0.868 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.032 3.305 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.071 3.708 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.112 2.506 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.076 2.143 -5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.454 3.327 -7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.468 5.093 -7.228 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.584 1.563 -1.376 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.602 1.226 -0.363 1.00 0.00 C ATOM 1120 C LEU A 75 -12.632 -0.273 -0.018 1.00 0.00 C ATOM 1121 O LEU A 75 -11.568 -0.863 0.144 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.838 2.141 0.851 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.751 3.652 0.543 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.060 4.470 1.800 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.387 4.065 -0.017 1.00 0.00 C ATOM 0 H LEU A 75 -14.329 2.169 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.593 1.401 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.822 1.924 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.106 1.898 1.621 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.495 3.857 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.995 5.533 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.066 4.236 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.339 4.224 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.384 5.137 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.609 3.828 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.196 3.525 -0.944 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.809 -0.911 0.052 1.00 0.00 N ATOM 1138 CA ASN A 76 -13.925 -2.365 0.270 1.00 0.00 C ATOM 1139 C ASN A 76 -13.668 -3.149 -1.023 1.00 0.00 C ATOM 1140 O ASN A 76 -13.334 -4.327 -0.978 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.320 -2.722 0.818 1.00 0.00 C ATOM 1142 CG ASN A 76 -15.291 -3.065 2.300 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -14.801 -4.104 2.716 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -15.849 -2.220 3.149 1.00 0.00 N ATOM 0 H ASN A 76 -14.707 -0.437 -0.040 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.166 -2.645 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.997 -1.883 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.721 -3.568 0.260 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.869 -2.437 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.260 -1.351 2.808 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.795 -2.515 -2.187 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.279 -3.041 -3.450 1.00 0.00 C ATOM 1153 C GLU A 77 -11.736 -3.094 -3.394 1.00 0.00 C ATOM 1154 O GLU A 77 -11.089 -4.021 -3.898 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.789 -2.112 -4.575 1.00 0.00 C ATOM 1156 CG GLU A 77 -14.678 -2.812 -5.600 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.876 -3.602 -6.633 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.364 -2.995 -7.603 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -13.774 -4.840 -6.495 1.00 0.00 O ATOM 0 H GLU A 77 -14.263 -1.614 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.625 -4.057 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.346 -1.288 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.932 -1.676 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.361 -3.486 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.290 -2.069 -6.112 1.00 0.00 H new ATOM 1166 N LEU A 78 -11.125 -2.082 -2.772 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.681 -1.927 -2.727 1.00 0.00 C ATOM 1168 C LEU A 78 -9.011 -2.801 -1.670 1.00 0.00 C ATOM 1169 O LEU A 78 -7.817 -3.064 -1.809 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.289 -0.449 -2.564 1.00 0.00 C ATOM 1171 CG LEU A 78 -9.496 0.441 -3.807 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -8.951 1.848 -3.532 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.842 -0.151 -5.056 1.00 0.00 C ATOM 0 H LEU A 78 -11.630 -1.343 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.306 -2.280 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.865 -0.029 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.239 -0.401 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.567 0.495 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.099 2.474 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.479 2.284 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.887 1.788 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.014 0.510 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.770 -0.257 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.275 -1.129 -5.264 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.765 -3.312 -0.693 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.382 -4.436 0.171 1.00 0.00 C ATOM 1187 C ASP A 79 -8.819 -5.559 -0.682 1.00 0.00 C ATOM 1188 O ASP A 79 -7.663 -5.959 -0.528 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.619 -4.932 0.935 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.400 -6.203 1.770 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.281 -7.286 1.162 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -10.470 -6.139 3.018 1.00 0.00 O ATOM 0 H ASP A 79 -10.690 -2.943 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.623 -4.112 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.963 -4.136 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.419 -5.119 0.219 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.635 -6.016 -1.631 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.303 -7.196 -2.402 1.00 0.00 C ATOM 1199 C ASN A 80 -8.217 -6.842 -3.404 1.00 0.00 C ATOM 1200 O ASN A 80 -7.306 -7.636 -3.610 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.542 -7.770 -3.091 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.488 -8.364 -2.058 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.211 -9.410 -1.477 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.600 -7.713 -1.757 1.00 0.00 N ATOM 0 H ASN A 80 -10.525 -5.584 -1.878 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.928 -7.973 -1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.051 -6.987 -3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.247 -8.536 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.228 -8.080 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.829 -6.844 -2.240 1.00 0.00 H new ATOM 1211 N THR A 81 -8.275 -5.628 -3.967 1.00 0.00 N ATOM 1212 CA THR A 81 -7.287 -5.117 -4.907 1.00 0.00 C ATOM 1213 C THR A 81 -5.877 -5.206 -4.294 1.00 0.00 C ATOM 1214 O THR A 81 -4.984 -5.746 -4.945 1.00 0.00 O ATOM 1215 CB THR A 81 -7.661 -3.685 -5.341 1.00 0.00 C ATOM 1216 OG1 THR A 81 -9.006 -3.606 -5.813 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.750 -3.116 -6.439 1.00 0.00 C ATOM 0 H THR A 81 -9.027 -4.966 -3.774 1.00 0.00 H new ATOM 0 HA THR A 81 -7.281 -5.731 -5.807 1.00 0.00 H new ATOM 0 HB THR A 81 -7.535 -3.090 -4.437 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.623 -3.798 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.073 -2.106 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.721 -3.088 -6.080 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.808 -3.749 -7.324 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.650 -4.702 -3.068 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.314 -4.763 -2.477 1.00 0.00 C ATOM 1227 C ILE A 82 -3.979 -6.184 -2.025 1.00 0.00 C ATOM 1228 O ILE A 82 -2.811 -6.573 -2.078 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.139 -3.719 -1.349 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.650 -3.496 -1.016 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -4.908 -4.058 -0.059 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.924 -2.640 -2.054 1.00 0.00 C ATOM 0 H ILE A 82 -6.359 -4.259 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.591 -4.498 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.571 -2.801 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.570 -3.018 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.152 -4.463 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.735 -3.279 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.974 -4.121 -0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.560 -5.015 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.881 -2.520 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.974 -3.128 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.398 -1.661 -2.114 1.00 0.00 H new ATOM 1244 N SER A 83 -4.967 -6.962 -1.569 1.00 0.00 N ATOM 1245 CA SER A 83 -4.729 -8.332 -1.148 1.00 0.00 C ATOM 1246 C SER A 83 -4.133 -9.114 -2.323 1.00 0.00 C ATOM 1247 O SER A 83 -3.043 -9.685 -2.206 1.00 0.00 O ATOM 1248 CB SER A 83 -6.031 -8.970 -0.623 1.00 0.00 C ATOM 1249 OG SER A 83 -5.913 -9.373 0.730 1.00 0.00 O ATOM 0 H SER A 83 -5.937 -6.659 -1.485 1.00 0.00 H new ATOM 0 HA SER A 83 -4.016 -8.354 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.849 -8.257 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.286 -9.833 -1.238 1.00 0.00 H new ATOM 0 HG SER A 83 -6.328 -8.700 1.309 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.808 -9.072 -3.469 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.470 -9.831 -4.660 1.00 0.00 C ATOM 1257 C GLU A 84 -3.255 -9.237 -5.400 1.00 0.00 C ATOM 1258 O GLU A 84 -2.787 -9.827 -6.382 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.731 -9.895 -5.548 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.797 -11.111 -6.485 1.00 0.00 C ATOM 1261 CD GLU A 84 -5.740 -12.448 -5.735 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -6.387 -12.609 -4.675 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -4.976 -13.344 -6.165 1.00 0.00 O ATOM 0 H GLU A 84 -5.634 -8.486 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.165 -10.841 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.611 -9.901 -4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.782 -8.987 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.718 -11.066 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.970 -11.062 -7.194 1.00 0.00 H new ATOM 1270 N MET A 85 -2.696 -8.107 -4.941 1.00 0.00 N ATOM 1271 CA MET A 85 -1.476 -7.514 -5.480 1.00 0.00 C ATOM 1272 C MET A 85 -0.265 -7.671 -4.550 1.00 0.00 C ATOM 1273 O MET A 85 0.833 -7.303 -4.944 1.00 0.00 O ATOM 1274 CB MET A 85 -1.707 -6.045 -5.835 1.00 0.00 C ATOM 1275 CG MET A 85 -2.571 -5.896 -7.083 1.00 0.00 C ATOM 1276 SD MET A 85 -3.028 -4.205 -7.567 1.00 0.00 S ATOM 1277 CE MET A 85 -1.360 -3.523 -7.778 1.00 0.00 C ATOM 0 H MET A 85 -3.093 -7.573 -4.168 1.00 0.00 H new ATOM 0 HA MET A 85 -1.234 -8.067 -6.388 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.187 -5.539 -4.997 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.747 -5.554 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.044 -6.357 -7.918 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.488 -6.465 -6.931 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.426 -2.533 -8.230 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.873 -3.446 -6.806 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.778 -4.179 -8.425 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.405 -8.207 -3.335 1.00 0.00 N ATOM 1288 CA LEU A 86 0.744 -8.501 -2.458 1.00 0.00 C ATOM 1289 C LEU A 86 1.037 -9.992 -2.399 1.00 0.00 C ATOM 1290 O LEU A 86 2.147 -10.395 -2.044 1.00 0.00 O ATOM 1291 CB LEU A 86 0.453 -7.995 -1.039 1.00 0.00 C ATOM 1292 CG LEU A 86 0.896 -6.557 -0.743 1.00 0.00 C ATOM 1293 CD1 LEU A 86 2.336 -6.466 -0.229 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.723 -5.584 -1.908 1.00 0.00 C ATOM 0 H LEU A 86 -1.308 -8.450 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 86 1.615 -7.994 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.619 -8.070 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.943 -8.660 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 86 0.211 -6.249 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.589 -5.423 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.429 -7.037 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.016 -6.873 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.062 -4.593 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.312 -5.926 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.329 -5.538 -2.190 1.00 0.00 H new ATOM 1306 N LYS A 87 0.040 -10.817 -2.697 1.00 0.00 N ATOM 1307 CA LYS A 87 0.119 -12.247 -2.455 1.00 0.00 C ATOM 1308 C LYS A 87 1.157 -12.890 -3.399 1.00 0.00 C ATOM 1309 O LYS A 87 1.982 -13.701 -2.969 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.290 -12.846 -2.621 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.679 -13.731 -1.436 1.00 0.00 C ATOM 1312 CD LYS A 87 -3.178 -14.047 -1.490 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.649 -14.855 -0.278 1.00 0.00 C ATOM 1314 NZ LYS A 87 -3.037 -16.195 -0.215 1.00 0.00 N ATOM 0 H LYS A 87 -0.841 -10.512 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 87 0.459 -12.452 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.017 -12.040 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.329 -13.432 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.103 -14.656 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.438 -13.227 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.741 -13.115 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.396 -14.604 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.410 -14.308 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.734 -14.957 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.416 -16.711 0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.257 -16.719 -1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.006 -16.101 -0.119 1.00 0.00 H new ATOM 1328 N GLU A 88 1.135 -12.519 -4.682 1.00 0.00 N ATOM 1329 CA GLU A 88 2.055 -12.962 -5.736 1.00 0.00 C ATOM 1330 C GLU A 88 3.369 -12.169 -5.732 1.00 0.00 C ATOM 1331 O GLU A 88 4.324 -12.601 -6.380 1.00 0.00 O ATOM 1332 CB GLU A 88 1.413 -12.811 -7.132 1.00 0.00 C ATOM 1333 CG GLU A 88 0.095 -13.573 -7.319 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.569 -13.255 -8.664 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -0.181 -13.870 -9.691 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.529 -12.445 -8.702 1.00 0.00 O ATOM 0 H GLU A 88 0.436 -11.865 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 88 2.268 -14.010 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.235 -11.753 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.125 -13.154 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.284 -14.644 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.588 -13.319 -6.509 1.00 0.00 H new ATOM 1343 N GLY A 89 3.431 -11.029 -5.036 1.00 0.00 N ATOM 1344 CA GLY A 89 4.592 -10.146 -5.024 1.00 0.00 C ATOM 1345 C GLY A 89 4.394 -8.991 -5.990 1.00 0.00 C ATOM 1346 O GLY A 89 4.470 -9.178 -7.205 1.00 0.00 O ATOM 0 H GLY A 89 2.661 -10.692 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.753 -9.762 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.486 -10.707 -5.298 1.00 0.00 H new ATOM 1350 N ALA A 90 4.113 -7.805 -5.450 1.00 0.00 N ATOM 1351 CA ALA A 90 4.083 -6.596 -6.263 1.00 0.00 C ATOM 1352 C ALA A 90 5.515 -6.201 -6.599 1.00 0.00 C ATOM 1353 O ALA A 90 6.380 -6.190 -5.722 1.00 0.00 O ATOM 1354 CB ALA A 90 3.380 -5.431 -5.557 1.00 0.00 C ATOM 0 H ALA A 90 3.905 -7.659 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 90 3.514 -6.811 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.386 -4.555 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.350 -5.710 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.903 -5.198 -4.630 1.00 0.00 H new ATOM 1360 N GLN A 91 5.731 -5.795 -7.845 1.00 0.00 N ATOM 1361 CA GLN A 91 6.894 -5.021 -8.235 1.00 0.00 C ATOM 1362 C GLN A 91 6.756 -3.693 -7.500 1.00 0.00 C ATOM 1363 O GLN A 91 5.675 -3.087 -7.509 1.00 0.00 O ATOM 1364 CB GLN A 91 6.909 -4.847 -9.763 1.00 0.00 C ATOM 1365 CG GLN A 91 7.497 -6.031 -10.559 1.00 0.00 C ATOM 1366 CD GLN A 91 7.630 -7.351 -9.791 1.00 0.00 C ATOM 1367 OE1 GLN A 91 8.720 -7.732 -9.387 1.00 0.00 O ATOM 1368 NE2 GLN A 91 6.556 -8.103 -9.588 1.00 0.00 N ATOM 0 H GLN A 91 5.096 -5.998 -8.617 1.00 0.00 H new ATOM 0 HA GLN A 91 7.837 -5.503 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.887 -4.675 -10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.480 -3.950 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.870 -6.203 -11.434 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.483 -5.744 -10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.644 -7.791 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.642 -8.993 -9.098 1.00 0.00 H new ATOM 1377 N VAL A 92 7.819 -3.295 -6.809 1.00 0.00 N ATOM 1378 CA VAL A 92 7.815 -2.177 -5.890 1.00 0.00 C ATOM 1379 C VAL A 92 8.937 -1.243 -6.329 1.00 0.00 C ATOM 1380 O VAL A 92 10.118 -1.535 -6.172 1.00 0.00 O ATOM 1381 CB VAL A 92 7.871 -2.693 -4.433 1.00 0.00 C ATOM 1382 CG1 VAL A 92 9.072 -3.593 -4.110 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.799 -1.552 -3.415 1.00 0.00 C ATOM 0 H VAL A 92 8.726 -3.756 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 92 6.896 -1.592 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 92 6.983 -3.319 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.023 -3.904 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.050 -4.473 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.996 -3.042 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.842 -1.962 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.639 -0.875 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.865 -1.006 -3.546 1.00 0.00 H new ATOM 1393 N ASP A 93 8.566 -0.108 -6.901 1.00 0.00 N ATOM 1394 CA ASP A 93 9.501 0.891 -7.395 1.00 0.00 C ATOM 1395 C ASP A 93 9.180 2.187 -6.669 1.00 0.00 C ATOM 1396 O ASP A 93 8.419 3.024 -7.152 1.00 0.00 O ATOM 1397 CB ASP A 93 9.461 0.987 -8.935 1.00 0.00 C ATOM 1398 CG ASP A 93 10.709 0.370 -9.559 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.824 0.819 -9.198 1.00 0.00 O ATOM 1400 OD2 ASP A 93 10.575 -0.562 -10.388 1.00 0.00 O ATOM 0 H ASP A 93 7.588 0.149 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 93 10.536 0.623 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.574 0.478 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.380 2.032 -9.235 1.00 0.00 H new ATOM 1405 N LEU A 94 9.687 2.332 -5.438 1.00 0.00 N ATOM 1406 CA LEU A 94 9.684 3.627 -4.766 1.00 0.00 C ATOM 1407 C LEU A 94 10.894 4.368 -5.283 1.00 0.00 C ATOM 1408 O LEU A 94 12.031 4.125 -4.878 1.00 0.00 O ATOM 1409 CB LEU A 94 9.609 3.535 -3.242 1.00 0.00 C ATOM 1410 CG LEU A 94 9.597 4.865 -2.463 1.00 0.00 C ATOM 1411 CD1 LEU A 94 10.979 5.449 -2.135 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.659 5.920 -3.046 1.00 0.00 C ATOM 0 H LEU A 94 10.100 1.573 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 94 8.774 4.179 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.708 2.980 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.458 2.946 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 94 9.178 4.568 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.858 6.383 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.538 4.740 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.523 5.639 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.709 6.825 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.960 6.150 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.638 5.539 -3.046 1.00 0.00 H new ATOM 1424 N THR A 95 10.586 5.215 -6.242 1.00 0.00 N ATOM 1425 CA THR A 95 11.458 6.191 -6.859 1.00 0.00 C ATOM 1426 C THR A 95 11.451 7.419 -5.932 1.00 0.00 C ATOM 1427 O THR A 95 10.632 7.484 -5.014 1.00 0.00 O ATOM 1428 CB THR A 95 10.902 6.471 -8.272 1.00 0.00 C ATOM 1429 OG1 THR A 95 10.446 5.281 -8.899 1.00 0.00 O ATOM 1430 CG2 THR A 95 11.931 7.100 -9.209 1.00 0.00 C ATOM 0 H THR A 95 9.647 5.241 -6.641 1.00 0.00 H new ATOM 0 HA THR A 95 12.491 5.865 -6.981 1.00 0.00 H new ATOM 0 HB THR A 95 10.081 7.170 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.099 5.493 -9.791 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.477 7.271 -10.185 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.268 8.050 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.783 6.428 -9.318 1.00 0.00 H new ATOM 1438 N ALA A 96 12.315 8.415 -6.155 1.00 0.00 N ATOM 1439 CA ALA A 96 12.693 9.423 -5.159 1.00 0.00 C ATOM 1440 C ALA A 96 11.541 10.041 -4.336 1.00 0.00 C ATOM 1441 O ALA A 96 11.768 10.362 -3.170 1.00 0.00 O ATOM 1442 CB ALA A 96 13.539 10.509 -5.836 1.00 0.00 C ATOM 0 H ALA A 96 12.781 8.546 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 96 13.271 8.885 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.823 11.261 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.437 10.059 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.959 10.979 -6.630 1.00 0.00 H new ATOM 1448 N ASN A 97 10.324 10.210 -4.878 1.00 0.00 N ATOM 1449 CA ASN A 97 9.159 10.656 -4.096 1.00 0.00 C ATOM 1450 C ASN A 97 7.861 9.945 -4.495 1.00 0.00 C ATOM 1451 O ASN A 97 6.781 10.383 -4.092 1.00 0.00 O ATOM 1452 CB ASN A 97 8.908 12.176 -4.182 1.00 0.00 C ATOM 1453 CG ASN A 97 10.147 13.054 -4.215 1.00 0.00 C ATOM 1454 OD1 ASN A 97 10.450 13.754 -3.259 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.886 13.036 -5.313 1.00 0.00 N ATOM 0 H ASN A 97 10.120 10.043 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 97 9.423 10.392 -3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.320 12.377 -5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.299 12.473 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.725 13.613 -5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.616 12.445 -6.100 1.00 0.00 H new ATOM 1462 N GLN A 98 7.901 8.898 -5.320 1.00 0.00 N ATOM 1463 CA GLN A 98 6.683 8.334 -5.893 1.00 0.00 C ATOM 1464 C GLN A 98 6.825 6.823 -5.982 1.00 0.00 C ATOM 1465 O GLN A 98 7.837 6.313 -6.465 1.00 0.00 O ATOM 1466 CB GLN A 98 6.410 8.985 -7.256 1.00 0.00 C ATOM 1467 CG GLN A 98 4.963 8.768 -7.725 1.00 0.00 C ATOM 1468 CD GLN A 98 4.798 9.211 -9.172 1.00 0.00 C ATOM 1469 OE1 GLN A 98 4.527 10.377 -9.456 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.040 8.322 -10.119 1.00 0.00 N ATOM 0 H GLN A 98 8.760 8.427 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 98 5.823 8.544 -5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.613 10.054 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 98 7.096 8.574 -7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.698 7.715 -7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.280 9.329 -7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.263 7.359 -9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.003 8.599 -11.100 1.00 0.00 H new ATOM 1479 N LEU A 99 5.816 6.120 -5.474 1.00 0.00 N ATOM 1480 CA LEU A 99 5.730 4.679 -5.454 1.00 0.00 C ATOM 1481 C LEU A 99 5.009 4.205 -6.715 1.00 0.00 C ATOM 1482 O LEU A 99 3.853 4.570 -6.950 1.00 0.00 O ATOM 1483 CB LEU A 99 4.958 4.228 -4.199 1.00 0.00 C ATOM 1484 CG LEU A 99 5.651 3.162 -3.343 1.00 0.00 C ATOM 1485 CD1 LEU A 99 4.640 2.598 -2.333 1.00 0.00 C ATOM 1486 CD2 LEU A 99 6.259 2.048 -4.187 1.00 0.00 C ATOM 0 H LEU A 99 5.004 6.568 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 99 6.730 4.246 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.770 5.103 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.987 3.843 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 99 6.480 3.631 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.124 1.838 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.276 3.403 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.802 2.152 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.738 1.318 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.474 1.559 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.000 2.469 -4.866 1.00 0.00 H new ATOM 1498 N THR A 100 5.667 3.350 -7.480 1.00 0.00 N ATOM 1499 CA THR A 100 5.095 2.549 -8.550 1.00 0.00 C ATOM 1500 C THR A 100 4.847 1.161 -7.967 1.00 0.00 C ATOM 1501 O THR A 100 5.789 0.493 -7.536 1.00 0.00 O ATOM 1502 CB THR A 100 6.066 2.512 -9.741 1.00 0.00 C ATOM 1503 OG1 THR A 100 6.329 3.837 -10.147 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.511 1.749 -10.946 1.00 0.00 C ATOM 0 H THR A 100 6.667 3.187 -7.365 1.00 0.00 H new ATOM 0 HA THR A 100 4.159 2.965 -8.923 1.00 0.00 H new ATOM 0 HB THR A 100 6.965 1.995 -9.407 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.949 3.830 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.244 1.760 -11.753 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.302 0.718 -10.659 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.591 2.225 -11.286 1.00 0.00 H new ATOM 1512 N LEU A 101 3.580 0.753 -7.893 1.00 0.00 N ATOM 1513 CA LEU A 101 3.163 -0.594 -7.538 1.00 0.00 C ATOM 1514 C LEU A 101 2.591 -1.209 -8.782 1.00 0.00 C ATOM 1515 O LEU A 101 1.671 -0.631 -9.345 1.00 0.00 O ATOM 1516 CB LEU A 101 2.060 -0.532 -6.474 1.00 0.00 C ATOM 1517 CG LEU A 101 2.551 -0.654 -5.035 1.00 0.00 C ATOM 1518 CD1 LEU A 101 2.798 -2.084 -4.580 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.833 0.108 -4.784 1.00 0.00 C ATOM 0 H LEU A 101 2.794 1.374 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 101 4.002 -1.169 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.524 0.411 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.343 -1.330 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 101 1.727 -0.227 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.145 -2.082 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.871 -2.654 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.555 -2.543 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.133 -0.017 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.618 -0.276 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.674 1.166 -4.992 1.00 0.00 H new ATOM 1531 N ALA A 102 3.091 -2.372 -9.168 1.00 0.00 N ATOM 1532 CA ALA A 102 2.547 -3.144 -10.287 1.00 0.00 C ATOM 1533 C ALA A 102 2.501 -4.624 -9.920 1.00 0.00 C ATOM 1534 O ALA A 102 3.265 -5.088 -9.071 1.00 0.00 O ATOM 1535 CB ALA A 102 3.399 -2.916 -11.534 1.00 0.00 C ATOM 0 H ALA A 102 3.890 -2.814 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 102 1.531 -2.812 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.991 -3.492 -12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.393 -1.857 -11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.422 -3.236 -11.339 1.00 0.00 H new ATOM 1541 N THR A 103 1.591 -5.382 -10.520 1.00 0.00 N ATOM 1542 CA THR A 103 1.423 -6.805 -10.346 1.00 0.00 C ATOM 1543 C THR A 103 0.629 -7.339 -11.543 1.00 0.00 C ATOM 1544 O THR A 103 0.083 -6.562 -12.330 1.00 0.00 O ATOM 1545 CB THR A 103 0.648 -7.063 -9.038 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.790 -6.041 -8.069 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.199 -8.308 -8.384 1.00 0.00 C ATOM 0 H THR A 103 0.916 -4.990 -11.177 1.00 0.00 H new ATOM 0 HA THR A 103 2.389 -7.307 -10.289 1.00 0.00 H new ATOM 0 HB THR A 103 -0.400 -7.133 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.032 -6.439 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.659 -8.502 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.079 -9.156 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.257 -8.166 -8.164 1.00 0.00 H new ATOM 1555 N ALA A 104 0.472 -8.663 -11.630 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.362 -9.314 -12.634 1.00 0.00 C ATOM 1557 C ALA A 104 -1.785 -8.763 -12.666 1.00 0.00 C ATOM 1558 O ALA A 104 -2.380 -8.696 -13.741 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.401 -10.814 -12.362 1.00 0.00 C ATOM 0 H ALA A 104 0.928 -9.318 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 104 0.083 -9.111 -13.608 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.024 -11.303 -13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.610 -11.219 -12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.817 -10.993 -11.371 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.345 -8.374 -11.517 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.631 -7.694 -11.472 1.00 0.00 C ATOM 1567 C LYS A 105 -3.570 -6.348 -12.196 1.00 0.00 C ATOM 1568 O LYS A 105 -4.067 -6.224 -13.315 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.088 -7.538 -10.018 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.735 -8.792 -9.415 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.247 -8.897 -9.679 1.00 0.00 C ATOM 1572 CE LYS A 105 -6.643 -10.104 -10.533 1.00 0.00 C ATOM 1573 NZ LYS A 105 -6.623 -9.845 -11.988 1.00 0.00 N ATOM 0 H LYS A 105 -1.919 -8.523 -10.602 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.369 -8.301 -11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.228 -7.260 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.800 -6.714 -9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.242 -9.675 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.562 -8.797 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.770 -8.952 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.584 -7.987 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.966 -10.930 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.644 -10.426 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.272 -10.502 -12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.924 -8.866 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.659 -9.984 -12.352 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.047 -5.327 -11.523 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.173 -3.923 -11.875 1.00 0.00 C ATOM 1589 C GLN A 106 -1.924 -3.190 -11.377 1.00 0.00 C ATOM 1590 O GLN A 106 -0.964 -3.803 -10.904 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.478 -3.360 -11.263 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.734 -3.675 -12.094 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.670 -4.628 -11.360 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -6.816 -5.794 -11.708 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.314 -4.145 -10.309 1.00 0.00 N ATOM 0 H GLN A 106 -2.497 -5.468 -10.676 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.239 -3.784 -12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.604 -3.768 -10.260 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.384 -2.279 -11.158 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.262 -2.749 -12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.439 -4.116 -13.046 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.181 -3.172 -10.032 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.943 -4.746 -9.776 1.00 0.00 H new ATOM 1604 N THR A 107 -1.942 -1.865 -11.484 1.00 0.00 N ATOM 1605 CA THR A 107 -0.825 -0.993 -11.171 1.00 0.00 C ATOM 1606 C THR A 107 -1.379 0.298 -10.560 1.00 0.00 C ATOM 1607 O THR A 107 -2.500 0.709 -10.871 1.00 0.00 O ATOM 1608 CB THR A 107 0.023 -0.826 -12.446 1.00 0.00 C ATOM 1609 OG1 THR A 107 1.235 -0.140 -12.229 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.750 -0.186 -13.595 1.00 0.00 C ATOM 0 H THR A 107 -2.766 -1.355 -11.803 1.00 0.00 H new ATOM 0 HA THR A 107 -0.148 -1.401 -10.420 1.00 0.00 H new ATOM 0 HB THR A 107 0.275 -1.845 -12.738 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.504 -0.239 -11.292 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.100 -0.095 -14.465 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.608 -0.809 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.095 0.803 -13.295 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.648 0.885 -9.619 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.051 1.927 -8.696 1.00 0.00 C ATOM 1620 C LEU A 108 0.035 2.993 -8.658 1.00 0.00 C ATOM 1621 O LEU A 108 1.188 2.755 -9.025 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.218 1.307 -7.293 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.685 1.085 -6.915 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.370 0.009 -7.764 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -2.826 0.761 -5.419 1.00 0.00 C ATOM 0 H LEU A 108 0.325 0.617 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.993 2.375 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.690 0.354 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.752 1.959 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.198 2.024 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.407 -0.100 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.341 0.301 -8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.850 -0.940 -7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.878 0.608 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.265 -0.145 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.435 1.590 -4.829 1.00 0.00 H new ATOM 1637 N THR A 109 -0.311 4.177 -8.164 1.00 0.00 N ATOM 1638 CA THR A 109 0.655 5.232 -7.896 1.00 0.00 C ATOM 1639 C THR A 109 0.357 5.793 -6.516 1.00 0.00 C ATOM 1640 O THR A 109 -0.684 6.424 -6.320 1.00 0.00 O ATOM 1641 CB THR A 109 0.610 6.279 -9.015 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.830 5.617 -10.254 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.663 7.377 -8.847 1.00 0.00 C ATOM 0 H THR A 109 -1.273 4.431 -7.938 1.00 0.00 H new ATOM 0 HA THR A 109 1.678 4.856 -7.889 1.00 0.00 H new ATOM 0 HB THR A 109 -0.367 6.762 -8.979 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.803 6.271 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.582 8.088 -9.669 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.501 7.895 -7.902 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.658 6.931 -8.850 1.00 0.00 H new ATOM 1651 N TYR A 110 1.250 5.527 -5.561 1.00 0.00 N ATOM 1652 CA TYR A 110 1.234 6.205 -4.276 1.00 0.00 C ATOM 1653 C TYR A 110 2.271 7.328 -4.304 1.00 0.00 C ATOM 1654 O TYR A 110 3.213 7.304 -5.100 1.00 0.00 O ATOM 1655 CB TYR A 110 1.558 5.238 -3.128 1.00 0.00 C ATOM 1656 CG TYR A 110 0.582 4.115 -2.823 1.00 0.00 C ATOM 1657 CD1 TYR A 110 -0.416 4.322 -1.857 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.743 2.833 -3.387 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -1.268 3.277 -1.471 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.084 1.765 -2.980 1.00 0.00 C ATOM 1661 CZ TYR A 110 -1.103 1.987 -2.022 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.900 0.962 -1.608 1.00 0.00 O ATOM 0 H TYR A 110 1.997 4.840 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 110 0.235 6.606 -4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.527 4.785 -3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.675 5.830 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.529 5.297 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.504 2.668 -4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -2.052 3.459 -0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.060 0.780 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.774 1.315 -1.339 1.00 0.00 H new ATOM 1672 N LYS A 111 2.151 8.288 -3.390 1.00 0.00 N ATOM 1673 CA LYS A 111 3.003 9.475 -3.341 1.00 0.00 C ATOM 1674 C LYS A 111 3.664 9.532 -1.977 1.00 0.00 C ATOM 1675 O LYS A 111 2.957 9.359 -0.986 1.00 0.00 O ATOM 1676 CB LYS A 111 2.113 10.707 -3.570 1.00 0.00 C ATOM 1677 CG LYS A 111 2.710 11.727 -4.548 1.00 0.00 C ATOM 1678 CD LYS A 111 3.845 12.579 -3.976 1.00 0.00 C ATOM 1679 CE LYS A 111 3.324 13.606 -2.963 1.00 0.00 C ATOM 1680 NZ LYS A 111 4.428 14.440 -2.457 1.00 0.00 N ATOM 0 H LYS A 111 1.448 8.263 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 111 3.778 9.446 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.144 10.379 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.933 11.197 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.081 11.195 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.915 12.389 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.579 11.933 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.358 13.095 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.569 14.237 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.839 13.093 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.042 15.311 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.957 13.914 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.066 14.685 -3.241 1.00 0.00 H new ATOM 1694 N LEU A 112 4.975 9.778 -1.930 1.00 0.00 N ATOM 1695 CA LEU A 112 5.710 10.120 -0.718 1.00 0.00 C ATOM 1696 C LEU A 112 5.077 11.387 -0.155 1.00 0.00 C ATOM 1697 O LEU A 112 5.243 12.455 -0.747 1.00 0.00 O ATOM 1698 CB LEU A 112 7.202 10.364 -1.045 1.00 0.00 C ATOM 1699 CG LEU A 112 8.108 10.482 0.195 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.163 9.182 0.999 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.535 10.827 -0.247 1.00 0.00 C ATOM 0 H LEU A 112 5.568 9.743 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 112 5.661 9.308 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.564 9.547 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.289 11.278 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 112 7.686 11.263 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.814 9.316 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.160 8.921 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.554 8.382 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.177 10.911 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.914 10.041 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.530 11.775 -0.785 1.00 0.00 H new ATOM 1713 N ALA A 113 4.274 11.276 0.899 1.00 0.00 N ATOM 1714 CA ALA A 113 3.546 12.404 1.457 1.00 0.00 C ATOM 1715 C ALA A 113 3.443 12.177 2.959 1.00 0.00 C ATOM 1716 O ALA A 113 2.405 11.754 3.471 1.00 0.00 O ATOM 1717 CB ALA A 113 2.180 12.550 0.769 1.00 0.00 C ATOM 0 H ALA A 113 4.111 10.397 1.390 1.00 0.00 H new ATOM 0 HA ALA A 113 4.064 13.347 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.646 13.398 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.326 12.714 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.598 11.641 0.920 1.00 0.00 H new ATOM 1723 N ASP A 114 4.536 12.427 3.677 1.00 0.00 N ATOM 1724 CA ASP A 114 4.649 12.142 5.103 1.00 0.00 C ATOM 1725 C ASP A 114 4.524 13.401 5.948 1.00 0.00 C ATOM 1726 O ASP A 114 5.313 13.718 6.839 1.00 0.00 O ATOM 1727 CB ASP A 114 5.835 11.244 5.443 1.00 0.00 C ATOM 1728 CG ASP A 114 7.222 11.832 5.175 1.00 0.00 C ATOM 1729 OD1 ASP A 114 7.327 13.013 4.776 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.211 11.075 5.289 1.00 0.00 O ATOM 0 H ASP A 114 5.379 12.839 3.277 1.00 0.00 H new ATOM 0 HA ASP A 114 3.787 11.536 5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.773 10.978 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.739 10.319 4.875 1.00 0.00 H new