USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0158 F(o=-0.92,f=-0.016) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -131:sc= 0.271 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 154:sc= 0.664 USER MOD Single : A 26 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.78) USER MOD Single : A 31 SER OG : rot 160:sc= -0.594 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0727 USER MOD Single : A 33 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 36 MET CE :methyl -176:sc= -0.0438 (180deg=-0.0562) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -121:sc= 0 (180deg=-0.0098) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.161 X(o=-0.16,f=0.013) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.26 F(o=-2.8,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0363) USER MOD Single : A 55 TYR OH : rot 22:sc= -4.02! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 80 HIS : no HE2:sc= -0.635 K(o=-0.64,f=-1.1) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 82 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.168 9.766 -15.818 1.00 0.00 N ATOM 2 CA MET A 1 4.255 8.858 -15.077 1.00 0.00 C ATOM 3 C MET A 1 5.035 7.909 -14.172 1.00 0.00 C ATOM 4 O MET A 1 5.253 6.747 -14.515 1.00 0.00 O ATOM 5 CB MET A 1 3.429 8.062 -16.090 1.00 0.00 C ATOM 6 CG MET A 1 2.212 7.383 -15.483 1.00 0.00 C ATOM 7 SD MET A 1 0.729 8.405 -15.575 1.00 0.00 S ATOM 8 CE MET A 1 -0.184 7.804 -14.156 1.00 0.00 C ATOM 0 H1 MET A 1 4.610 10.400 -16.425 1.00 0.00 H new ATOM 0 H2 MET A 1 5.719 10.332 -15.142 1.00 0.00 H new ATOM 0 H3 MET A 1 5.815 9.203 -16.407 1.00 0.00 H new ATOM 0 HA MET A 1 3.599 9.453 -14.441 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.102 8.731 -16.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.065 7.306 -16.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.031 6.440 -15.999 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.418 7.141 -14.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.129 8.341 -14.077 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.381 6.738 -14.275 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.402 7.966 -13.251 1.00 0.00 H new ATOM 20 N GLU A 2 5.453 8.413 -13.015 1.00 0.00 N ATOM 21 CA GLU A 2 6.208 7.610 -12.061 1.00 0.00 C ATOM 22 C GLU A 2 5.272 6.786 -11.181 1.00 0.00 C ATOM 23 O GLU A 2 5.015 7.140 -10.031 1.00 0.00 O ATOM 24 CB GLU A 2 7.088 8.508 -11.189 1.00 0.00 C ATOM 25 CG GLU A 2 8.189 9.216 -11.961 1.00 0.00 C ATOM 26 CD GLU A 2 8.661 10.483 -11.275 1.00 0.00 C ATOM 27 OE1 GLU A 2 8.032 11.542 -11.485 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.658 10.416 -10.527 1.00 0.00 O ATOM 0 H GLU A 2 5.282 9.373 -12.716 1.00 0.00 H new ATOM 0 HA GLU A 2 6.844 6.926 -12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.461 9.254 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.539 7.905 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.034 8.538 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.827 9.461 -12.960 1.00 0.00 H new ATOM 35 N ASN A 3 4.767 5.687 -11.731 1.00 0.00 N ATOM 36 CA ASN A 3 3.859 4.814 -10.996 1.00 0.00 C ATOM 37 C ASN A 3 4.108 3.351 -11.347 1.00 0.00 C ATOM 38 O ASN A 3 3.610 2.851 -12.356 1.00 0.00 O ATOM 39 CB ASN A 3 2.406 5.183 -11.299 1.00 0.00 C ATOM 40 CG ASN A 3 1.420 4.364 -10.488 1.00 0.00 C ATOM 41 OD1 ASN A 3 1.633 4.310 -9.178 1.00 0.00 O flip ATOM 42 ND2 ASN A 3 0.478 3.788 -11.032 1.00 0.00 N flip ATOM 0 H ASN A 3 4.971 5.380 -12.682 1.00 0.00 H new ATOM 0 HA ASN A 3 4.046 4.950 -9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.252 6.242 -11.091 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.210 5.035 -12.361 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.353 3.857 -12.042 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.177 3.242 -10.473 1.00 0.00 H new ATOM 49 N ASP A 4 4.880 2.669 -10.508 1.00 0.00 N ATOM 50 CA ASP A 4 5.195 1.262 -10.729 1.00 0.00 C ATOM 51 C ASP A 4 4.056 0.367 -10.246 1.00 0.00 C ATOM 52 O ASP A 4 3.224 0.787 -9.442 1.00 0.00 O ATOM 53 CB ASP A 4 6.493 0.889 -10.011 1.00 0.00 C ATOM 54 CG ASP A 4 7.708 1.021 -10.907 1.00 0.00 C ATOM 55 OD1 ASP A 4 7.620 1.740 -11.925 1.00 0.00 O ATOM 56 OD2 ASP A 4 8.748 0.406 -10.592 1.00 0.00 O ATOM 0 H ASP A 4 5.299 3.068 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 4 5.324 1.108 -11.800 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.618 1.529 -9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.422 -0.136 -9.648 1.00 0.00 H new ATOM 61 N PRO A 5 4.005 -0.885 -10.732 1.00 0.00 N ATOM 62 CA PRO A 5 2.961 -1.840 -10.347 1.00 0.00 C ATOM 63 C PRO A 5 3.105 -2.308 -8.902 1.00 0.00 C ATOM 64 O PRO A 5 2.132 -2.731 -8.277 1.00 0.00 O ATOM 65 CB PRO A 5 3.175 -3.009 -11.310 1.00 0.00 C ATOM 66 CG PRO A 5 4.613 -2.929 -11.689 1.00 0.00 C ATOM 67 CD PRO A 5 4.959 -1.466 -11.696 1.00 0.00 C ATOM 0 HA PRO A 5 1.966 -1.399 -10.405 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.944 -3.962 -10.834 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.530 -2.925 -12.184 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.235 -3.474 -10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.784 -3.375 -12.669 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.992 -1.296 -11.392 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.843 -1.030 -12.688 1.00 0.00 H new ATOM 75 N THR A 6 4.323 -2.230 -8.376 1.00 0.00 N ATOM 76 CA THR A 6 4.591 -2.648 -7.004 1.00 0.00 C ATOM 77 C THR A 6 4.364 -1.502 -6.016 1.00 0.00 C ATOM 78 O THR A 6 4.604 -1.652 -4.818 1.00 0.00 O ATOM 79 CB THR A 6 6.026 -3.162 -6.879 1.00 0.00 C ATOM 80 OG1 THR A 6 6.953 -2.102 -7.039 1.00 0.00 O ATOM 81 CG2 THR A 6 6.370 -4.230 -7.895 1.00 0.00 C ATOM 0 H THR A 6 5.140 -1.882 -8.878 1.00 0.00 H new ATOM 0 HA THR A 6 3.895 -3.451 -6.760 1.00 0.00 H new ATOM 0 HB THR A 6 6.092 -3.598 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.865 -2.450 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.402 -4.550 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.704 -5.083 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.253 -3.827 -8.901 1.00 0.00 H new ATOM 89 N VAL A 7 3.903 -0.360 -6.520 1.00 0.00 N ATOM 90 CA VAL A 7 3.650 0.801 -5.673 1.00 0.00 C ATOM 91 C VAL A 7 2.197 0.843 -5.211 1.00 0.00 C ATOM 92 O VAL A 7 1.275 0.809 -6.026 1.00 0.00 O ATOM 93 CB VAL A 7 3.979 2.114 -6.406 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.915 3.293 -5.447 1.00 0.00 C ATOM 95 CG2 VAL A 7 5.346 2.029 -7.068 1.00 0.00 C ATOM 0 H VAL A 7 3.698 -0.214 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 7 4.302 0.703 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 7 3.233 2.269 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.151 4.212 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.912 3.366 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.636 3.148 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.561 2.966 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.107 1.848 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.351 1.211 -7.789 1.00 0.00 H new ATOM 105 N LEU A 8 1.999 0.920 -3.899 1.00 0.00 N ATOM 106 CA LEU A 8 0.657 0.971 -3.329 1.00 0.00 C ATOM 107 C LEU A 8 0.164 2.411 -3.226 1.00 0.00 C ATOM 108 O LEU A 8 0.922 3.313 -2.872 1.00 0.00 O ATOM 109 CB LEU A 8 0.640 0.310 -1.949 1.00 0.00 C ATOM 110 CG LEU A 8 -0.583 -0.564 -1.668 1.00 0.00 C ATOM 111 CD1 LEU A 8 -0.451 -1.253 -0.320 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.855 0.268 -1.723 1.00 0.00 C ATOM 0 H LEU A 8 2.751 0.948 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.014 0.425 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.537 -0.301 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.694 1.089 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.641 -1.332 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.331 -1.870 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.439 -1.882 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.366 -0.502 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.716 -0.369 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.805 1.059 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.957 0.712 -2.713 1.00 0.00 H new ATOM 124 N ARG A 9 -1.112 2.620 -3.537 1.00 0.00 N ATOM 125 CA ARG A 9 -1.705 3.951 -3.479 1.00 0.00 C ATOM 126 C ARG A 9 -3.193 3.871 -3.152 1.00 0.00 C ATOM 127 O ARG A 9 -3.897 2.981 -3.630 1.00 0.00 O ATOM 128 CB ARG A 9 -1.500 4.682 -4.807 1.00 0.00 C ATOM 129 CG ARG A 9 -0.097 5.238 -4.986 1.00 0.00 C ATOM 130 CD ARG A 9 0.133 5.722 -6.408 1.00 0.00 C ATOM 131 NE ARG A 9 1.511 6.157 -6.623 1.00 0.00 N ATOM 132 CZ ARG A 9 1.894 6.938 -7.630 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.006 7.371 -8.517 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.167 7.287 -7.752 1.00 0.00 N ATOM 0 H ARG A 9 -1.754 1.885 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.208 4.509 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.717 3.997 -5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.217 5.500 -4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.060 6.062 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.635 4.469 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.107 4.921 -7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.545 6.547 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 9 2.222 5.843 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.025 7.105 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.305 7.969 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.854 6.957 -7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.460 7.886 -8.524 1.00 0.00 H new ATOM 148 N SER A 10 -3.664 4.806 -2.334 1.00 0.00 N ATOM 149 CA SER A 10 -5.068 4.842 -1.940 1.00 0.00 C ATOM 150 C SER A 10 -5.960 5.210 -3.124 1.00 0.00 C ATOM 151 O SER A 10 -5.554 5.965 -4.007 1.00 0.00 O ATOM 152 CB SER A 10 -5.275 5.844 -0.803 1.00 0.00 C ATOM 153 OG SER A 10 -6.652 6.107 -0.598 1.00 0.00 O ATOM 0 H SER A 10 -3.094 5.549 -1.931 1.00 0.00 H new ATOM 0 HA SER A 10 -5.346 3.846 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.836 5.453 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.755 6.773 -1.034 1.00 0.00 H new ATOM 0 HG SER A 10 -6.797 7.075 -0.556 1.00 0.00 H new ATOM 159 N PRO A 11 -7.195 4.678 -3.155 1.00 0.00 N ATOM 160 CA PRO A 11 -8.146 4.954 -4.235 1.00 0.00 C ATOM 161 C PRO A 11 -8.758 6.347 -4.129 1.00 0.00 C ATOM 162 O PRO A 11 -9.180 6.928 -5.128 1.00 0.00 O ATOM 163 CB PRO A 11 -9.218 3.883 -4.037 1.00 0.00 C ATOM 164 CG PRO A 11 -9.191 3.594 -2.576 1.00 0.00 C ATOM 165 CD PRO A 11 -7.760 3.767 -2.140 1.00 0.00 C ATOM 0 HA PRO A 11 -7.671 4.929 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.198 4.240 -4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.000 2.990 -4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.848 4.273 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.540 2.582 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.695 4.193 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.230 2.815 -2.117 1.00 0.00 H new ATOM 173 N SER A 12 -8.804 6.878 -2.910 1.00 0.00 N ATOM 174 CA SER A 12 -9.366 8.203 -2.675 1.00 0.00 C ATOM 175 C SER A 12 -8.742 8.849 -1.442 1.00 0.00 C ATOM 176 O SER A 12 -7.965 8.219 -0.724 1.00 0.00 O ATOM 177 CB SER A 12 -10.884 8.113 -2.503 1.00 0.00 C ATOM 178 OG SER A 12 -11.225 7.269 -1.417 1.00 0.00 O ATOM 0 H SER A 12 -8.459 6.411 -2.071 1.00 0.00 H new ATOM 0 HA SER A 12 -9.141 8.824 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.294 9.109 -2.336 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.335 7.732 -3.419 1.00 0.00 H new ATOM 0 HG SER A 12 -12.200 7.230 -1.327 1.00 0.00 H new ATOM 184 N ALA A 13 -9.085 10.111 -1.205 1.00 0.00 N ATOM 185 CA ALA A 13 -8.559 10.846 -0.061 1.00 0.00 C ATOM 186 C ALA A 13 -9.244 10.417 1.232 1.00 0.00 C ATOM 187 O ALA A 13 -10.471 10.383 1.315 1.00 0.00 O ATOM 188 CB ALA A 13 -8.723 12.343 -0.276 1.00 0.00 C ATOM 0 H ALA A 13 -9.726 10.646 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.497 10.616 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.326 12.880 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.180 12.643 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.780 12.580 -0.396 1.00 0.00 H new ATOM 194 N GLY A 14 -8.440 10.092 2.239 1.00 0.00 N ATOM 195 CA GLY A 14 -8.983 9.671 3.517 1.00 0.00 C ATOM 196 C GLY A 14 -8.053 9.986 4.673 1.00 0.00 C ATOM 197 O GLY A 14 -7.502 11.083 4.754 1.00 0.00 O ATOM 0 H GLY A 14 -7.421 10.113 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.942 10.163 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.176 8.598 3.491 1.00 0.00 H new ATOM 201 N LYS A 15 -7.879 9.020 5.570 1.00 0.00 N ATOM 202 CA LYS A 15 -7.010 9.198 6.728 1.00 0.00 C ATOM 203 C LYS A 15 -6.641 7.851 7.341 1.00 0.00 C ATOM 204 O LYS A 15 -7.481 6.959 7.453 1.00 0.00 O ATOM 205 CB LYS A 15 -7.694 10.078 7.775 1.00 0.00 C ATOM 206 CG LYS A 15 -6.762 10.540 8.884 1.00 0.00 C ATOM 207 CD LYS A 15 -6.849 9.632 10.099 1.00 0.00 C ATOM 208 CE LYS A 15 -6.534 10.385 11.381 1.00 0.00 C ATOM 209 NZ LYS A 15 -6.311 9.461 12.528 1.00 0.00 N ATOM 0 H LYS A 15 -8.328 8.106 5.517 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.096 9.688 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.119 10.952 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.524 9.526 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.737 10.558 8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.015 11.560 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.849 9.204 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.153 8.801 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.646 11.000 11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.355 11.063 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.099 10.014 13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.167 8.892 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.511 8.831 12.316 1.00 0.00 H new ATOM 223 N LEU A 16 -5.380 7.710 7.735 1.00 0.00 N ATOM 224 CA LEU A 16 -4.899 6.469 8.335 1.00 0.00 C ATOM 225 C LEU A 16 -5.529 6.246 9.707 1.00 0.00 C ATOM 226 O LEU A 16 -5.069 6.795 10.708 1.00 0.00 O ATOM 227 CB LEU A 16 -3.375 6.499 8.464 1.00 0.00 C ATOM 228 CG LEU A 16 -2.711 5.135 8.662 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.172 4.155 7.593 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.196 5.273 8.643 1.00 0.00 C ATOM 0 H LEU A 16 -4.672 8.439 7.650 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.188 5.645 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.960 6.961 7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.110 7.140 9.305 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.009 4.745 9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.689 3.191 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.253 4.033 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.904 4.538 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.740 4.293 8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.880 5.685 7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.881 5.940 9.446 1.00 0.00 H new ATOM 242 N THR A 17 -6.584 5.439 9.745 1.00 0.00 N ATOM 243 CA THR A 17 -7.276 5.145 10.994 1.00 0.00 C ATOM 244 C THR A 17 -6.489 4.147 11.840 1.00 0.00 C ATOM 245 O THR A 17 -6.395 4.292 13.059 1.00 0.00 O ATOM 246 CB THR A 17 -8.679 4.602 10.712 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.414 4.464 11.915 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.674 3.256 10.021 1.00 0.00 C ATOM 0 H THR A 17 -6.978 4.977 8.925 1.00 0.00 H new ATOM 0 HA THR A 17 -7.361 6.075 11.556 1.00 0.00 H new ATOM 0 HB THR A 17 -9.142 5.331 10.047 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.308 4.117 11.714 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.700 2.930 9.851 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.157 3.340 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.161 2.527 10.648 1.00 0.00 H new ATOM 256 N GLN A 18 -5.927 3.131 11.189 1.00 0.00 N ATOM 257 CA GLN A 18 -5.154 2.111 11.890 1.00 0.00 C ATOM 258 C GLN A 18 -4.351 1.260 10.906 1.00 0.00 C ATOM 259 O GLN A 18 -4.112 1.670 9.770 1.00 0.00 O ATOM 260 CB GLN A 18 -6.087 1.224 12.719 1.00 0.00 C ATOM 261 CG GLN A 18 -5.519 0.845 14.076 1.00 0.00 C ATOM 262 CD GLN A 18 -5.965 -0.532 14.530 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.832 -1.151 13.913 1.00 0.00 O ATOM 264 NE2 GLN A 18 -5.373 -1.018 15.614 1.00 0.00 N ATOM 0 H GLN A 18 -5.993 2.993 10.180 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.452 2.611 12.557 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.035 1.743 12.863 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.303 0.315 12.158 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.430 0.874 14.031 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.827 1.585 14.815 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.659 -0.470 16.094 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.632 -1.939 15.967 1.00 0.00 H new ATOM 273 N TYR A 19 -3.938 0.074 11.348 1.00 0.00 N ATOM 274 CA TYR A 19 -3.163 -0.831 10.505 1.00 0.00 C ATOM 275 C TYR A 19 -3.441 -2.285 10.873 1.00 0.00 C ATOM 276 O TYR A 19 -3.584 -2.623 12.049 1.00 0.00 O ATOM 277 CB TYR A 19 -1.669 -0.535 10.640 1.00 0.00 C ATOM 278 CG TYR A 19 -1.148 -0.674 12.053 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.672 -1.892 12.522 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.134 0.413 12.918 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.196 -2.023 13.813 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.659 0.290 14.210 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.192 -0.930 14.653 1.00 0.00 C ATOM 284 OH TYR A 19 0.282 -1.056 15.938 1.00 0.00 O ATOM 0 H TYR A 19 -4.127 -0.282 12.285 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.464 -0.672 9.470 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.113 -1.210 9.989 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.475 0.478 10.288 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.674 -2.751 11.867 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.500 1.369 12.575 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.171 -2.977 14.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.653 1.145 14.870 1.00 0.00 H new ATOM 0 HH TYR A 19 0.216 -0.193 16.397 1.00 0.00 H new ATOM 294 N THR A 20 -3.523 -3.140 9.859 1.00 0.00 N ATOM 295 CA THR A 20 -3.791 -4.558 10.071 1.00 0.00 C ATOM 296 C THR A 20 -2.502 -5.377 10.094 1.00 0.00 C ATOM 297 O THR A 20 -2.501 -6.532 10.518 1.00 0.00 O ATOM 298 CB THR A 20 -4.722 -5.089 8.979 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.015 -5.277 7.766 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.891 -4.171 8.691 1.00 0.00 C ATOM 0 H THR A 20 -3.408 -2.875 8.881 1.00 0.00 H new ATOM 0 HA THR A 20 -4.274 -4.660 11.043 1.00 0.00 H new ATOM 0 HB THR A 20 -5.108 -6.034 9.362 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.462 -5.965 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.511 -4.607 7.908 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.485 -4.044 9.596 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.519 -3.201 8.362 1.00 0.00 H new ATOM 308 N VAL A 21 -1.405 -4.780 9.633 1.00 0.00 N ATOM 309 CA VAL A 21 -0.122 -5.470 9.604 1.00 0.00 C ATOM 310 C VAL A 21 1.039 -4.497 9.779 1.00 0.00 C ATOM 311 O VAL A 21 0.975 -3.350 9.336 1.00 0.00 O ATOM 312 CB VAL A 21 0.069 -6.246 8.288 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.982 -7.338 8.154 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.021 -5.301 7.096 1.00 0.00 C ATOM 0 H VAL A 21 -1.381 -3.825 9.277 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.128 -6.173 10.437 1.00 0.00 H new ATOM 0 HB VAL A 21 1.051 -6.719 8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.831 -7.876 7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.894 -8.032 8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.975 -6.889 8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.158 -5.869 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.945 -4.796 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.815 -4.560 7.187 1.00 0.00 H new ATOM 324 N GLU A 22 2.100 -4.966 10.427 1.00 0.00 N ATOM 325 CA GLU A 22 3.281 -4.145 10.664 1.00 0.00 C ATOM 326 C GLU A 22 4.010 -3.848 9.358 1.00 0.00 C ATOM 327 O GLU A 22 3.581 -4.272 8.285 1.00 0.00 O ATOM 328 CB GLU A 22 4.227 -4.850 11.637 1.00 0.00 C ATOM 329 CG GLU A 22 4.740 -6.186 11.123 1.00 0.00 C ATOM 330 CD GLU A 22 4.230 -7.360 11.937 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.418 -7.352 13.172 1.00 0.00 O ATOM 332 OE2 GLU A 22 3.642 -8.286 11.340 1.00 0.00 O ATOM 0 H GLU A 22 2.166 -5.914 10.798 1.00 0.00 H new ATOM 0 HA GLU A 22 2.955 -3.201 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.076 -4.198 11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.710 -5.008 12.584 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.438 -6.311 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.830 -6.183 11.140 1.00 0.00 H new ATOM 339 N ASP A 23 5.118 -3.120 9.458 1.00 0.00 N ATOM 340 CA ASP A 23 5.911 -2.770 8.286 1.00 0.00 C ATOM 341 C ASP A 23 6.409 -4.025 7.577 1.00 0.00 C ATOM 342 O ASP A 23 6.905 -4.954 8.213 1.00 0.00 O ATOM 343 CB ASP A 23 7.098 -1.893 8.690 1.00 0.00 C ATOM 344 CG ASP A 23 8.033 -2.595 9.655 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.550 -3.091 10.694 1.00 0.00 O ATOM 346 OD2 ASP A 23 9.248 -2.648 9.371 1.00 0.00 O ATOM 0 H ASP A 23 5.486 -2.761 10.339 1.00 0.00 H new ATOM 0 HA ASP A 23 5.275 -2.212 7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.652 -1.603 7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.729 -0.975 9.148 1.00 0.00 H new ATOM 351 N GLY A 24 6.271 -4.047 6.256 1.00 0.00 N ATOM 352 CA GLY A 24 6.709 -5.194 5.484 1.00 0.00 C ATOM 353 C GLY A 24 5.866 -6.426 5.751 1.00 0.00 C ATOM 354 O GLY A 24 6.346 -7.553 5.629 1.00 0.00 O ATOM 0 H GLY A 24 5.863 -3.291 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.667 -4.951 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.751 -5.411 5.720 1.00 0.00 H new ATOM 358 N GLY A 25 4.606 -6.211 6.116 1.00 0.00 N ATOM 359 CA GLY A 25 3.714 -7.321 6.396 1.00 0.00 C ATOM 360 C GLY A 25 3.380 -8.125 5.155 1.00 0.00 C ATOM 361 O GLY A 25 2.697 -7.637 4.255 1.00 0.00 O ATOM 0 H GLY A 25 4.187 -5.287 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.175 -7.976 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.793 -6.940 6.837 1.00 0.00 H new ATOM 365 N HIS A 26 3.864 -9.361 5.106 1.00 0.00 N ATOM 366 CA HIS A 26 3.616 -10.238 3.966 1.00 0.00 C ATOM 367 C HIS A 26 2.128 -10.531 3.814 1.00 0.00 C ATOM 368 O HIS A 26 1.502 -11.103 4.707 1.00 0.00 O ATOM 369 CB HIS A 26 4.392 -11.546 4.123 1.00 0.00 C ATOM 370 CG HIS A 26 4.168 -12.221 5.440 1.00 0.00 C ATOM 371 ND1 HIS A 26 4.976 -12.014 6.539 1.00 0.00 N ATOM 372 CD2 HIS A 26 3.220 -13.105 5.833 1.00 0.00 C ATOM 373 CE1 HIS A 26 4.534 -12.742 7.550 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.471 -13.412 7.148 1.00 0.00 N ATOM 0 H HIS A 26 4.431 -9.779 5.843 1.00 0.00 H new ATOM 0 HA HIS A 26 3.959 -9.726 3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.106 -12.227 3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.456 -11.344 4.004 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.417 -13.496 5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.969 -12.782 8.538 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.924 -14.054 7.721 1.00 0.00 H new ATOM 383 N VAL A 27 1.566 -10.136 2.676 1.00 0.00 N ATOM 384 CA VAL A 27 0.150 -10.359 2.406 1.00 0.00 C ATOM 385 C VAL A 27 -0.103 -10.598 0.920 1.00 0.00 C ATOM 386 O VAL A 27 0.509 -9.958 0.065 1.00 0.00 O ATOM 387 CB VAL A 27 -0.708 -9.167 2.876 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.527 -8.934 4.368 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.363 -7.912 2.087 1.00 0.00 C ATOM 0 H VAL A 27 2.069 -9.660 1.927 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.138 -11.249 2.966 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.756 -9.405 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.140 -8.089 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.832 -9.826 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.521 -8.720 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.980 -7.083 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.689 -7.668 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.551 -8.085 1.027 1.00 0.00 H new ATOM 399 N GLU A 28 -1.014 -11.519 0.621 1.00 0.00 N ATOM 400 CA GLU A 28 -1.353 -11.837 -0.761 1.00 0.00 C ATOM 401 C GLU A 28 -2.410 -10.873 -1.293 1.00 0.00 C ATOM 402 O GLU A 28 -3.102 -10.209 -0.520 1.00 0.00 O ATOM 403 CB GLU A 28 -1.856 -13.279 -0.868 1.00 0.00 C ATOM 404 CG GLU A 28 -3.228 -13.496 -0.247 1.00 0.00 C ATOM 405 CD GLU A 28 -3.226 -14.581 0.812 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.469 -15.562 0.655 1.00 0.00 O ATOM 407 OE2 GLU A 28 -3.983 -14.450 1.797 1.00 0.00 O ATOM 0 H GLU A 28 -1.530 -12.058 1.317 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.452 -11.732 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.894 -13.564 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.139 -13.942 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.573 -12.562 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.939 -13.759 -1.030 1.00 0.00 H new ATOM 414 N ALA A 29 -2.533 -10.801 -2.615 1.00 0.00 N ATOM 415 CA ALA A 29 -3.509 -9.918 -3.249 1.00 0.00 C ATOM 416 C ALA A 29 -4.889 -10.067 -2.613 1.00 0.00 C ATOM 417 O ALA A 29 -5.406 -11.177 -2.483 1.00 0.00 O ATOM 418 CB ALA A 29 -3.582 -10.196 -4.742 1.00 0.00 C ATOM 0 H ALA A 29 -1.969 -11.344 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.179 -8.890 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.313 -9.531 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.604 -10.026 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.881 -11.231 -4.905 1.00 0.00 H new ATOM 424 N GLY A 30 -5.480 -8.943 -2.221 1.00 0.00 N ATOM 425 CA GLY A 30 -6.794 -8.973 -1.606 1.00 0.00 C ATOM 426 C GLY A 30 -6.735 -8.867 -0.095 1.00 0.00 C ATOM 427 O GLY A 30 -7.696 -8.434 0.541 1.00 0.00 O ATOM 0 H GLY A 30 -5.073 -8.013 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.394 -8.153 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.299 -9.899 -1.882 1.00 0.00 H new ATOM 431 N SER A 31 -5.605 -9.263 0.483 1.00 0.00 N ATOM 432 CA SER A 31 -5.428 -9.209 1.930 1.00 0.00 C ATOM 433 C SER A 31 -5.282 -7.769 2.407 1.00 0.00 C ATOM 434 O SER A 31 -4.477 -7.005 1.874 1.00 0.00 O ATOM 435 CB SER A 31 -4.202 -10.025 2.345 1.00 0.00 C ATOM 436 OG SER A 31 -3.792 -9.696 3.661 1.00 0.00 O ATOM 0 H SER A 31 -4.799 -9.624 -0.028 1.00 0.00 H new ATOM 0 HA SER A 31 -6.315 -9.637 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.433 -11.089 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.384 -9.839 1.649 1.00 0.00 H new ATOM 0 HG SER A 31 -3.239 -10.420 4.022 1.00 0.00 H new ATOM 442 N SER A 32 -6.067 -7.403 3.416 1.00 0.00 N ATOM 443 CA SER A 32 -6.027 -6.054 3.966 1.00 0.00 C ATOM 444 C SER A 32 -4.696 -5.787 4.663 1.00 0.00 C ATOM 445 O SER A 32 -4.206 -6.618 5.427 1.00 0.00 O ATOM 446 CB SER A 32 -7.181 -5.847 4.949 1.00 0.00 C ATOM 447 OG SER A 32 -8.227 -6.772 4.709 1.00 0.00 O ATOM 0 H SER A 32 -6.739 -8.023 3.869 1.00 0.00 H new ATOM 0 HA SER A 32 -6.131 -5.350 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.818 -5.961 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.563 -4.830 4.858 1.00 0.00 H new ATOM 0 HG SER A 32 -8.952 -6.620 5.351 1.00 0.00 H new ATOM 453 N TYR A 33 -4.120 -4.620 4.395 1.00 0.00 N ATOM 454 CA TYR A 33 -2.846 -4.237 4.997 1.00 0.00 C ATOM 455 C TYR A 33 -3.019 -3.060 5.957 1.00 0.00 C ATOM 456 O TYR A 33 -2.126 -2.757 6.747 1.00 0.00 O ATOM 457 CB TYR A 33 -1.829 -3.882 3.907 1.00 0.00 C ATOM 458 CG TYR A 33 -2.094 -2.554 3.232 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.736 -1.359 3.843 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.703 -2.496 1.984 1.00 0.00 C ATOM 461 CE1 TYR A 33 -1.977 -0.144 3.230 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.946 -1.285 1.365 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.582 -0.112 1.992 1.00 0.00 C ATOM 464 OH TYR A 33 -2.823 1.096 1.379 1.00 0.00 O ATOM 0 H TYR A 33 -4.515 -3.922 3.765 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.475 -5.088 5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.832 -3.863 4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.830 -4.669 3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.262 -1.380 4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.991 -3.412 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.693 0.776 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.419 -1.257 0.394 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.254 0.943 0.512 1.00 0.00 H new ATOM 474 N ALA A 34 -4.171 -2.398 5.881 1.00 0.00 N ATOM 475 CA ALA A 34 -4.455 -1.256 6.740 1.00 0.00 C ATOM 476 C ALA A 34 -5.902 -0.804 6.585 1.00 0.00 C ATOM 477 O ALA A 34 -6.713 -1.490 5.963 1.00 0.00 O ATOM 478 CB ALA A 34 -3.506 -0.110 6.424 1.00 0.00 C ATOM 0 H ALA A 34 -4.922 -2.634 5.232 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.304 -1.562 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.729 0.737 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.478 -0.433 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.630 0.188 5.383 1.00 0.00 H new ATOM 484 N GLU A 35 -6.219 0.351 7.156 1.00 0.00 N ATOM 485 CA GLU A 35 -7.570 0.892 7.083 1.00 0.00 C ATOM 486 C GLU A 35 -7.540 2.415 7.039 1.00 0.00 C ATOM 487 O GLU A 35 -6.525 3.035 7.358 1.00 0.00 O ATOM 488 CB GLU A 35 -8.395 0.421 8.283 1.00 0.00 C ATOM 489 CG GLU A 35 -8.192 -1.046 8.625 1.00 0.00 C ATOM 490 CD GLU A 35 -9.330 -1.617 9.448 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.106 -0.823 10.021 1.00 0.00 O ATOM 492 OE2 GLU A 35 -9.446 -2.859 9.520 1.00 0.00 O ATOM 0 H GLU A 35 -5.559 0.931 7.675 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.034 0.527 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.136 1.027 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.451 0.594 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.092 -1.619 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.258 -1.161 9.175 1.00 0.00 H new ATOM 499 N MET A 36 -8.657 3.014 6.644 1.00 0.00 N ATOM 500 CA MET A 36 -8.755 4.465 6.561 1.00 0.00 C ATOM 501 C MET A 36 -10.193 4.928 6.780 1.00 0.00 C ATOM 502 O MET A 36 -11.120 4.433 6.139 1.00 0.00 O ATOM 503 CB MET A 36 -8.237 4.959 5.207 1.00 0.00 C ATOM 504 CG MET A 36 -9.157 4.640 4.039 1.00 0.00 C ATOM 505 SD MET A 36 -9.275 2.872 3.706 1.00 0.00 S ATOM 506 CE MET A 36 -10.009 2.883 2.072 1.00 0.00 C ATOM 0 H MET A 36 -9.507 2.517 6.376 1.00 0.00 H new ATOM 0 HA MET A 36 -8.136 4.892 7.350 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.091 6.038 5.257 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.260 4.514 5.019 1.00 0.00 H new ATOM 0 HG2 MET A 36 -10.152 5.033 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.794 5.150 3.147 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.211 1.859 1.757 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.942 3.446 2.096 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.321 3.350 1.367 1.00 0.00 H new ATOM 516 N GLU A 37 -10.371 5.880 7.691 1.00 0.00 N ATOM 517 CA GLU A 37 -11.695 6.409 7.995 1.00 0.00 C ATOM 518 C GLU A 37 -12.010 7.621 7.126 1.00 0.00 C ATOM 519 O GLU A 37 -11.444 8.697 7.314 1.00 0.00 O ATOM 520 CB GLU A 37 -11.790 6.789 9.474 1.00 0.00 C ATOM 521 CG GLU A 37 -13.218 6.934 9.974 1.00 0.00 C ATOM 522 CD GLU A 37 -13.295 7.095 11.479 1.00 0.00 C ATOM 523 OE1 GLU A 37 -12.294 7.538 12.081 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.356 6.778 12.057 1.00 0.00 O ATOM 0 H GLU A 37 -9.615 6.300 8.231 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.427 5.630 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.281 6.031 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.261 7.728 9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.681 7.797 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.794 6.058 9.676 1.00 0.00 H new ATOM 531 N VAL A 38 -12.920 7.438 6.176 1.00 0.00 N ATOM 532 CA VAL A 38 -13.316 8.517 5.277 1.00 0.00 C ATOM 533 C VAL A 38 -14.519 9.268 5.837 1.00 0.00 C ATOM 534 O VAL A 38 -15.129 8.835 6.815 1.00 0.00 O ATOM 535 CB VAL A 38 -13.662 7.986 3.869 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.490 9.080 2.826 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.807 6.775 3.520 1.00 0.00 C ATOM 0 H VAL A 38 -13.398 6.553 6.008 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.466 9.194 5.195 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.707 7.675 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.739 8.686 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.152 9.914 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.456 9.426 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.069 6.419 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.754 7.055 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.985 5.982 4.247 1.00 0.00 H new ATOM 547 N MET A 39 -14.859 10.393 5.216 1.00 0.00 N ATOM 548 CA MET A 39 -15.993 11.195 5.662 1.00 0.00 C ATOM 549 C MET A 39 -17.277 10.371 5.651 1.00 0.00 C ATOM 550 O MET A 39 -18.195 10.624 6.431 1.00 0.00 O ATOM 551 CB MET A 39 -16.156 12.428 4.771 1.00 0.00 C ATOM 552 CG MET A 39 -14.848 13.152 4.489 1.00 0.00 C ATOM 553 SD MET A 39 -14.887 14.886 4.982 1.00 0.00 S ATOM 554 CE MET A 39 -15.063 15.688 3.391 1.00 0.00 C ATOM 0 H MET A 39 -14.367 10.769 4.405 1.00 0.00 H new ATOM 0 HA MET A 39 -15.798 11.519 6.684 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.606 12.126 3.825 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.850 13.121 5.247 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.038 12.648 5.016 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.625 13.087 3.424 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.102 16.768 3.530 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.212 15.434 2.759 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.983 15.351 2.913 1.00 0.00 H new ATOM 564 N LYS A 40 -17.331 9.382 4.765 1.00 0.00 N ATOM 565 CA LYS A 40 -18.499 8.517 4.655 1.00 0.00 C ATOM 566 C LYS A 40 -18.512 7.479 5.773 1.00 0.00 C ATOM 567 O LYS A 40 -19.299 7.576 6.715 1.00 0.00 O ATOM 568 CB LYS A 40 -18.517 7.819 3.294 1.00 0.00 C ATOM 569 CG LYS A 40 -18.786 8.760 2.131 1.00 0.00 C ATOM 570 CD LYS A 40 -20.274 8.889 1.851 1.00 0.00 C ATOM 571 CE LYS A 40 -20.816 7.660 1.139 1.00 0.00 C ATOM 572 NZ LYS A 40 -22.232 7.841 0.718 1.00 0.00 N ATOM 0 H LYS A 40 -16.579 9.160 4.113 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.391 9.137 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.559 7.324 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.280 7.040 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.370 9.743 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.278 8.393 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.810 9.034 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.455 9.774 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.202 7.447 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.741 6.796 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.564 6.981 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.823 8.019 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.300 8.650 0.068 1.00 0.00 H new ATOM 586 N MET A 41 -17.636 6.485 5.661 1.00 0.00 N ATOM 587 CA MET A 41 -17.546 5.428 6.662 1.00 0.00 C ATOM 588 C MET A 41 -16.135 4.850 6.717 1.00 0.00 C ATOM 589 O MET A 41 -15.228 5.333 6.040 1.00 0.00 O ATOM 590 CB MET A 41 -18.554 4.319 6.352 1.00 0.00 C ATOM 591 CG MET A 41 -19.891 4.500 7.052 1.00 0.00 C ATOM 592 SD MET A 41 -20.661 2.930 7.495 1.00 0.00 S ATOM 593 CE MET A 41 -20.079 2.731 9.177 1.00 0.00 C ATOM 0 H MET A 41 -16.979 6.390 4.887 1.00 0.00 H new ATOM 0 HA MET A 41 -17.779 5.860 7.635 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.719 4.280 5.275 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.127 3.359 6.644 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.747 5.097 7.953 1.00 0.00 H new ATOM 0 HG3 MET A 41 -20.564 5.060 6.403 1.00 0.00 H new ATOM 0 HE1 MET A 41 -20.472 1.802 9.590 1.00 0.00 H new ATOM 0 HE2 MET A 41 -18.989 2.699 9.184 1.00 0.00 H new ATOM 0 HE3 MET A 41 -20.421 3.570 9.782 1.00 0.00 H new ATOM 603 N ILE A 42 -15.959 3.810 7.526 1.00 0.00 N ATOM 604 CA ILE A 42 -14.660 3.163 7.667 1.00 0.00 C ATOM 605 C ILE A 42 -14.420 2.169 6.535 1.00 0.00 C ATOM 606 O ILE A 42 -15.361 1.573 6.009 1.00 0.00 O ATOM 607 CB ILE A 42 -14.544 2.429 9.019 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.169 1.771 9.160 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.648 1.392 9.155 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.016 2.747 9.072 1.00 0.00 C ATOM 0 H ILE A 42 -16.699 3.398 8.094 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.904 3.947 7.624 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.656 3.161 9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.121 1.251 10.117 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.055 1.017 8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.553 0.883 10.114 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.619 1.885 9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.565 0.664 8.348 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.074 2.209 9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.037 3.249 8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.104 3.487 9.867 1.00 0.00 H new ATOM 622 N MET A 43 -13.156 1.995 6.163 1.00 0.00 N ATOM 623 CA MET A 43 -12.796 1.073 5.092 1.00 0.00 C ATOM 624 C MET A 43 -11.456 0.401 5.375 1.00 0.00 C ATOM 625 O MET A 43 -10.703 0.839 6.244 1.00 0.00 O ATOM 626 CB MET A 43 -12.736 1.811 3.753 1.00 0.00 C ATOM 627 CG MET A 43 -14.095 1.992 3.097 1.00 0.00 C ATOM 628 SD MET A 43 -14.625 0.532 2.183 1.00 0.00 S ATOM 629 CE MET A 43 -13.691 0.724 0.667 1.00 0.00 C ATOM 0 H MET A 43 -12.365 2.480 6.587 1.00 0.00 H new ATOM 0 HA MET A 43 -13.564 0.301 5.041 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.283 2.790 3.907 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.084 1.262 3.074 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.835 2.225 3.862 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.057 2.845 2.420 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.377 0.776 -0.179 1.00 0.00 H new ATOM 0 HE2 MET A 43 -13.104 1.641 0.715 1.00 0.00 H new ATOM 0 HE3 MET A 43 -13.023 -0.128 0.541 1.00 0.00 H new ATOM 639 N THR A 44 -11.167 -0.665 4.635 1.00 0.00 N ATOM 640 CA THR A 44 -9.918 -1.399 4.807 1.00 0.00 C ATOM 641 C THR A 44 -9.098 -1.388 3.520 1.00 0.00 C ATOM 642 O THR A 44 -9.609 -1.695 2.444 1.00 0.00 O ATOM 643 CB THR A 44 -10.201 -2.844 5.229 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.552 -2.998 5.624 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.332 -3.313 6.376 1.00 0.00 C ATOM 0 H THR A 44 -11.780 -1.040 3.911 1.00 0.00 H new ATOM 0 HA THR A 44 -9.343 -0.905 5.590 1.00 0.00 H new ATOM 0 HB THR A 44 -9.976 -3.449 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.712 -3.928 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.583 -4.344 6.625 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.283 -3.255 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.503 -2.678 7.245 1.00 0.00 H new ATOM 653 N LEU A 45 -7.823 -1.036 3.642 1.00 0.00 N ATOM 654 CA LEU A 45 -6.931 -0.991 2.490 1.00 0.00 C ATOM 655 C LEU A 45 -6.200 -2.319 2.324 1.00 0.00 C ATOM 656 O LEU A 45 -5.693 -2.883 3.293 1.00 0.00 O ATOM 657 CB LEU A 45 -5.920 0.147 2.646 1.00 0.00 C ATOM 658 CG LEU A 45 -6.452 1.538 2.287 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.087 2.547 3.366 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.914 1.983 0.935 1.00 0.00 C ATOM 0 H LEU A 45 -7.385 -0.778 4.526 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.532 -0.811 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.570 0.163 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.054 -0.068 2.019 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.539 1.483 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.474 3.529 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.523 2.237 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.003 2.599 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.303 2.973 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.825 2.019 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.228 1.276 0.168 1.00 0.00 H new ATOM 672 N ASN A 46 -6.153 -2.816 1.093 1.00 0.00 N ATOM 673 CA ASN A 46 -5.487 -4.081 0.806 1.00 0.00 C ATOM 674 C ASN A 46 -4.537 -3.943 -0.378 1.00 0.00 C ATOM 675 O ASN A 46 -4.447 -2.881 -0.996 1.00 0.00 O ATOM 676 CB ASN A 46 -6.521 -5.171 0.518 1.00 0.00 C ATOM 677 CG ASN A 46 -7.457 -4.795 -0.615 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.267 -5.214 -1.757 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.474 -4.001 -0.304 1.00 0.00 N ATOM 0 H ASN A 46 -6.568 -2.363 0.279 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.905 -4.362 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.007 -6.099 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.104 -5.362 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.136 -3.715 -1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.593 -3.677 0.656 1.00 0.00 H new ATOM 686 N VAL A 47 -3.829 -5.023 -0.689 1.00 0.00 N ATOM 687 CA VAL A 47 -2.884 -5.026 -1.799 1.00 0.00 C ATOM 688 C VAL A 47 -3.546 -5.526 -3.079 1.00 0.00 C ATOM 689 O VAL A 47 -4.470 -6.337 -3.035 1.00 0.00 O ATOM 690 CB VAL A 47 -1.659 -5.906 -1.491 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.765 -5.235 -0.460 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.098 -7.281 -1.012 1.00 0.00 C ATOM 0 H VAL A 47 -3.892 -5.909 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.555 -3.996 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.084 -6.032 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.096 -5.872 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.422 -4.275 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.327 -5.077 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.219 -7.890 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.696 -7.177 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.694 -7.763 -1.787 1.00 0.00 H new ATOM 702 N GLN A 48 -3.070 -5.033 -4.217 1.00 0.00 N ATOM 703 CA GLN A 48 -3.620 -5.427 -5.510 1.00 0.00 C ATOM 704 C GLN A 48 -2.966 -6.706 -6.034 1.00 0.00 C ATOM 705 O GLN A 48 -3.453 -7.311 -6.989 1.00 0.00 O ATOM 706 CB GLN A 48 -3.456 -4.291 -6.529 1.00 0.00 C ATOM 707 CG GLN A 48 -2.030 -4.106 -7.033 1.00 0.00 C ATOM 708 CD GLN A 48 -1.156 -3.344 -6.056 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.306 -4.066 -5.336 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -1.244 -2.121 -5.951 1.00 0.00 N flip ATOM 0 H GLN A 48 -2.305 -4.360 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.682 -5.629 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.108 -4.485 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.793 -3.359 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.587 -5.084 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.052 -3.575 -7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.912 -1.607 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.649 -1.622 -5.290 1.00 0.00 H new ATOM 719 N GLU A 49 -1.863 -7.112 -5.412 1.00 0.00 N ATOM 720 CA GLU A 49 -1.156 -8.317 -5.831 1.00 0.00 C ATOM 721 C GLU A 49 -0.364 -8.920 -4.676 1.00 0.00 C ATOM 722 O GLU A 49 -0.230 -8.309 -3.615 1.00 0.00 O ATOM 723 CB GLU A 49 -0.217 -8.003 -6.997 1.00 0.00 C ATOM 724 CG GLU A 49 -0.942 -7.710 -8.300 1.00 0.00 C ATOM 725 CD GLU A 49 0.009 -7.488 -9.459 1.00 0.00 C ATOM 726 OE1 GLU A 49 0.879 -8.355 -9.687 1.00 0.00 O ATOM 727 OE2 GLU A 49 -0.115 -6.448 -10.139 1.00 0.00 O ATOM 0 H GLU A 49 -1.441 -6.627 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.899 -9.046 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.401 -7.145 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.457 -8.847 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.608 -8.540 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.567 -6.826 -8.173 1.00 0.00 H new ATOM 734 N ARG A 50 0.159 -10.122 -4.891 1.00 0.00 N ATOM 735 CA ARG A 50 0.940 -10.811 -3.870 1.00 0.00 C ATOM 736 C ARG A 50 2.267 -10.099 -3.631 1.00 0.00 C ATOM 737 O ARG A 50 2.968 -9.738 -4.576 1.00 0.00 O ATOM 738 CB ARG A 50 1.193 -12.262 -4.285 1.00 0.00 C ATOM 739 CG ARG A 50 0.056 -13.204 -3.927 1.00 0.00 C ATOM 740 CD ARG A 50 -1.027 -13.202 -4.993 1.00 0.00 C ATOM 741 NE ARG A 50 -0.801 -14.229 -6.007 1.00 0.00 N ATOM 742 CZ ARG A 50 -1.621 -14.454 -7.031 1.00 0.00 C ATOM 743 NH1 ARG A 50 -2.721 -13.726 -7.181 1.00 0.00 N ATOM 744 NH2 ARG A 50 -1.340 -15.408 -7.908 1.00 0.00 N ATOM 0 H ARG A 50 0.056 -10.640 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 50 0.370 -10.801 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.359 -12.299 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.108 -12.613 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.445 -14.215 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.374 -12.909 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.997 -13.364 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.063 -12.223 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 50 0.035 -14.808 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.941 -12.990 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.346 -13.902 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.496 -15.969 -7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.968 -15.581 -8.693 1.00 0.00 H new ATOM 758 N GLY A 51 2.606 -9.901 -2.362 1.00 0.00 N ATOM 759 CA GLY A 51 3.848 -9.234 -2.022 1.00 0.00 C ATOM 760 C GLY A 51 3.843 -8.693 -0.607 1.00 0.00 C ATOM 761 O GLY A 51 2.846 -8.811 0.105 1.00 0.00 O ATOM 0 H GLY A 51 2.042 -10.191 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.676 -9.933 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.021 -8.415 -2.721 1.00 0.00 H new ATOM 765 N ARG A 52 4.959 -8.103 -0.195 1.00 0.00 N ATOM 766 CA ARG A 52 5.077 -7.550 1.145 1.00 0.00 C ATOM 767 C ARG A 52 4.719 -6.070 1.164 1.00 0.00 C ATOM 768 O ARG A 52 5.209 -5.288 0.349 1.00 0.00 O ATOM 769 CB ARG A 52 6.493 -7.754 1.673 1.00 0.00 C ATOM 770 CG ARG A 52 6.722 -9.141 2.238 1.00 0.00 C ATOM 771 CD ARG A 52 7.789 -9.129 3.315 1.00 0.00 C ATOM 772 NE ARG A 52 8.609 -10.338 3.289 1.00 0.00 N ATOM 773 CZ ARG A 52 9.688 -10.518 4.048 1.00 0.00 C ATOM 774 NH1 ARG A 52 10.080 -9.572 4.893 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.377 -11.648 3.962 1.00 0.00 N ATOM 0 H ARG A 52 5.794 -7.996 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 52 4.374 -8.076 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.204 -7.574 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.696 -7.014 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.790 -9.526 2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.019 -9.818 1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.427 -8.255 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.316 -9.033 4.292 1.00 0.00 H new ATOM 0 HE ARG A 52 8.339 -11.088 2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.554 -8.701 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.907 -9.716 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.080 -12.378 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.204 -11.787 4.543 1.00 0.00 H new ATOM 789 N VAL A 53 3.859 -5.696 2.103 1.00 0.00 N ATOM 790 CA VAL A 53 3.426 -4.310 2.239 1.00 0.00 C ATOM 791 C VAL A 53 4.423 -3.498 3.058 1.00 0.00 C ATOM 792 O VAL A 53 4.721 -3.836 4.202 1.00 0.00 O ATOM 793 CB VAL A 53 2.040 -4.216 2.903 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.500 -2.797 2.815 1.00 0.00 C ATOM 795 CG2 VAL A 53 1.076 -5.202 2.263 1.00 0.00 C ATOM 0 H VAL A 53 3.447 -6.334 2.783 1.00 0.00 H new ATOM 0 HA VAL A 53 3.368 -3.899 1.231 1.00 0.00 H new ATOM 0 HB VAL A 53 2.143 -4.475 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.520 -2.751 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.182 -2.116 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.410 -2.506 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.101 -5.122 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.976 -4.976 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.459 -6.215 2.384 1.00 0.00 H new ATOM 805 N LYS A 54 4.930 -2.422 2.466 1.00 0.00 N ATOM 806 CA LYS A 54 5.889 -1.559 3.144 1.00 0.00 C ATOM 807 C LYS A 54 5.303 -0.168 3.358 1.00 0.00 C ATOM 808 O LYS A 54 5.130 0.596 2.410 1.00 0.00 O ATOM 809 CB LYS A 54 7.185 -1.462 2.336 1.00 0.00 C ATOM 810 CG LYS A 54 7.650 -2.794 1.768 1.00 0.00 C ATOM 811 CD LYS A 54 9.144 -2.787 1.486 1.00 0.00 C ATOM 812 CE LYS A 54 9.953 -2.923 2.765 1.00 0.00 C ATOM 813 NZ LYS A 54 9.932 -4.316 3.291 1.00 0.00 N ATOM 0 H LYS A 54 4.693 -2.127 1.519 1.00 0.00 H new ATOM 0 HA LYS A 54 6.112 -1.997 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.041 -0.758 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.970 -1.054 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.415 -3.593 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.106 -3.009 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.391 -3.605 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.415 -1.861 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.983 -2.622 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.556 -2.244 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.613 -4.402 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.978 -4.542 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.190 -4.978 2.531 1.00 0.00 H new ATOM 827 N TYR A 55 4.991 0.150 4.609 1.00 0.00 N ATOM 828 CA TYR A 55 4.416 1.446 4.951 1.00 0.00 C ATOM 829 C TYR A 55 5.330 2.590 4.518 1.00 0.00 C ATOM 830 O TYR A 55 6.518 2.605 4.839 1.00 0.00 O ATOM 831 CB TYR A 55 4.158 1.529 6.457 1.00 0.00 C ATOM 832 CG TYR A 55 2.776 1.066 6.861 1.00 0.00 C ATOM 833 CD1 TYR A 55 2.210 -0.070 6.296 1.00 0.00 C ATOM 834 CD2 TYR A 55 2.038 1.766 7.808 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.948 -0.496 6.663 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.775 1.346 8.180 1.00 0.00 C ATOM 837 CZ TYR A 55 0.234 0.215 7.605 1.00 0.00 C ATOM 838 OH TYR A 55 -1.023 -0.206 7.973 1.00 0.00 O ATOM 0 H TYR A 55 5.127 -0.473 5.405 1.00 0.00 H new ATOM 0 HA TYR A 55 3.471 1.544 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.901 0.925 6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.297 2.559 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.766 -0.629 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.458 2.652 8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.523 -1.382 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.214 1.901 8.918 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.122 -1.159 7.768 1.00 0.00 H new ATOM 848 N ILE A 56 4.762 3.551 3.796 1.00 0.00 N ATOM 849 CA ILE A 56 5.517 4.707 3.327 1.00 0.00 C ATOM 850 C ILE A 56 5.162 5.941 4.149 1.00 0.00 C ATOM 851 O ILE A 56 6.036 6.599 4.715 1.00 0.00 O ATOM 852 CB ILE A 56 5.257 4.978 1.822 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.265 4.213 0.961 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.324 6.469 1.506 1.00 0.00 C ATOM 855 CD1 ILE A 56 6.299 2.727 1.241 1.00 0.00 C ATOM 0 H ILE A 56 3.779 3.551 3.523 1.00 0.00 H new ATOM 0 HA ILE A 56 6.577 4.486 3.453 1.00 0.00 H new ATOM 0 HB ILE A 56 4.251 4.628 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.025 4.370 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.259 4.628 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.137 6.624 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.570 6.999 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.313 6.851 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.036 2.252 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.570 2.559 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.316 2.298 1.048 1.00 0.00 H new ATOM 867 N LYS A 57 3.874 6.244 4.209 1.00 0.00 N ATOM 868 CA LYS A 57 3.389 7.393 4.959 1.00 0.00 C ATOM 869 C LYS A 57 3.489 7.142 6.461 1.00 0.00 C ATOM 870 O LYS A 57 3.795 6.031 6.895 1.00 0.00 O ATOM 871 CB LYS A 57 1.942 7.689 4.566 1.00 0.00 C ATOM 872 CG LYS A 57 1.780 8.954 3.739 1.00 0.00 C ATOM 873 CD LYS A 57 2.199 10.190 4.519 1.00 0.00 C ATOM 874 CE LYS A 57 2.499 11.358 3.592 1.00 0.00 C ATOM 875 NZ LYS A 57 3.683 12.138 4.046 1.00 0.00 N ATOM 0 H LYS A 57 3.142 5.707 3.744 1.00 0.00 H new ATOM 0 HA LYS A 57 4.011 8.256 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.548 6.844 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.340 7.777 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.379 8.875 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.740 9.055 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.407 10.469 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.081 9.963 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.675 10.985 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.630 12.014 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.854 12.925 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.505 12.516 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.518 11.519 4.070 1.00 0.00 H new ATOM 889 N ARG A 58 3.230 8.179 7.250 1.00 0.00 N ATOM 890 CA ARG A 58 3.292 8.068 8.703 1.00 0.00 C ATOM 891 C ARG A 58 1.922 7.724 9.282 1.00 0.00 C ATOM 892 O ARG A 58 0.898 7.898 8.620 1.00 0.00 O ATOM 893 CB ARG A 58 3.803 9.374 9.314 1.00 0.00 C ATOM 894 CG ARG A 58 5.315 9.427 9.458 1.00 0.00 C ATOM 895 CD ARG A 58 6.010 9.190 8.127 1.00 0.00 C ATOM 896 NE ARG A 58 7.433 9.516 8.187 1.00 0.00 N ATOM 897 CZ ARG A 58 7.907 10.759 8.240 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.076 11.794 8.242 1.00 0.00 N ATOM 899 NH2 ARG A 58 9.215 10.967 8.292 1.00 0.00 N ATOM 0 H ARG A 58 2.975 9.106 6.908 1.00 0.00 H new ATOM 0 HA ARG A 58 3.984 7.263 8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.476 10.208 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.348 9.509 10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.610 10.398 9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.640 8.676 10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.889 8.147 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.532 9.794 7.356 1.00 0.00 H new ATOM 0 HE ARG A 58 8.102 8.746 8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.069 11.639 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.445 12.744 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.858 10.175 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.579 11.919 8.333 1.00 0.00 H new ATOM 913 N PRO A 59 1.884 7.231 10.532 1.00 0.00 N ATOM 914 CA PRO A 59 0.629 6.865 11.198 1.00 0.00 C ATOM 915 C PRO A 59 -0.238 8.081 11.500 1.00 0.00 C ATOM 916 O PRO A 59 0.234 9.072 12.057 1.00 0.00 O ATOM 917 CB PRO A 59 1.093 6.201 12.498 1.00 0.00 C ATOM 918 CG PRO A 59 2.450 6.762 12.748 1.00 0.00 C ATOM 919 CD PRO A 59 3.057 6.994 11.393 1.00 0.00 C ATOM 0 HA PRO A 59 0.010 6.220 10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.414 6.425 13.321 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.126 5.116 12.398 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.390 7.692 13.313 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.056 6.071 13.334 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.733 7.849 11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.634 6.132 11.058 1.00 0.00 H new ATOM 927 N GLY A 60 -1.510 7.999 11.124 1.00 0.00 N ATOM 928 CA GLY A 60 -2.427 9.099 11.357 1.00 0.00 C ATOM 929 C GLY A 60 -2.445 10.100 10.214 1.00 0.00 C ATOM 930 O GLY A 60 -3.347 10.933 10.127 1.00 0.00 O ATOM 0 H GLY A 60 -1.923 7.189 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.432 8.704 11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.148 9.611 12.278 1.00 0.00 H new ATOM 934 N ALA A 61 -1.446 10.021 9.337 1.00 0.00 N ATOM 935 CA ALA A 61 -1.352 10.927 8.199 1.00 0.00 C ATOM 936 C ALA A 61 -2.612 10.874 7.341 1.00 0.00 C ATOM 937 O ALA A 61 -3.244 9.825 7.211 1.00 0.00 O ATOM 938 CB ALA A 61 -0.129 10.591 7.360 1.00 0.00 C ATOM 0 H ALA A 61 -0.691 9.338 9.395 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.252 11.942 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.070 11.275 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.769 10.690 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.208 9.567 6.995 1.00 0.00 H new ATOM 944 N VAL A 62 -2.969 12.011 6.754 1.00 0.00 N ATOM 945 CA VAL A 62 -4.151 12.094 5.905 1.00 0.00 C ATOM 946 C VAL A 62 -3.869 11.517 4.521 1.00 0.00 C ATOM 947 O VAL A 62 -2.881 11.874 3.878 1.00 0.00 O ATOM 948 CB VAL A 62 -4.640 13.548 5.756 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.071 14.107 7.103 1.00 0.00 C ATOM 950 CG2 VAL A 62 -3.560 14.419 5.131 1.00 0.00 C ATOM 0 H VAL A 62 -2.457 12.888 6.851 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.932 11.509 6.390 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.504 13.552 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.413 15.134 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.882 13.501 7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.227 14.087 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.927 15.441 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.673 14.410 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.305 14.031 4.145 1.00 0.00 H new ATOM 960 N LEU A 63 -4.740 10.623 4.069 1.00 0.00 N ATOM 961 CA LEU A 63 -4.582 9.996 2.762 1.00 0.00 C ATOM 962 C LEU A 63 -5.149 10.884 1.659 1.00 0.00 C ATOM 963 O LEU A 63 -6.060 11.678 1.895 1.00 0.00 O ATOM 964 CB LEU A 63 -5.274 8.632 2.740 1.00 0.00 C ATOM 965 CG LEU A 63 -4.461 7.485 3.343 1.00 0.00 C ATOM 966 CD1 LEU A 63 -3.115 7.361 2.646 1.00 0.00 C ATOM 967 CD2 LEU A 63 -4.272 7.695 4.838 1.00 0.00 C ATOM 0 H LEU A 63 -5.563 10.316 4.588 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.516 9.858 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.218 8.711 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.517 8.381 1.707 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.011 6.556 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.551 6.540 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.271 7.164 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.557 8.290 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.692 6.870 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.743 8.632 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.246 7.733 5.326 1.00 0.00 H new ATOM 979 N GLU A 64 -4.605 10.744 0.455 1.00 0.00 N ATOM 980 CA GLU A 64 -5.056 11.532 -0.685 1.00 0.00 C ATOM 981 C GLU A 64 -5.248 10.649 -1.913 1.00 0.00 C ATOM 982 O GLU A 64 -4.540 9.658 -2.094 1.00 0.00 O ATOM 983 CB GLU A 64 -4.052 12.645 -0.993 1.00 0.00 C ATOM 984 CG GLU A 64 -3.711 13.507 0.211 1.00 0.00 C ATOM 985 CD GLU A 64 -4.934 14.155 0.830 1.00 0.00 C ATOM 986 OE1 GLU A 64 -5.907 14.415 0.090 1.00 0.00 O ATOM 987 OE2 GLU A 64 -4.920 14.403 2.054 1.00 0.00 O ATOM 0 H GLU A 64 -3.850 10.091 0.244 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.016 11.981 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.136 12.199 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.457 13.280 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.210 12.895 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.007 14.283 -0.090 1.00 0.00 H new ATOM 994 N ALA A 65 -6.210 11.014 -2.755 1.00 0.00 N ATOM 995 CA ALA A 65 -6.493 10.254 -3.966 1.00 0.00 C ATOM 996 C ALA A 65 -5.284 10.233 -4.894 1.00 0.00 C ATOM 997 O ALA A 65 -5.086 11.148 -5.693 1.00 0.00 O ATOM 998 CB ALA A 65 -7.702 10.836 -4.683 1.00 0.00 C ATOM 0 H ALA A 65 -6.806 11.831 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.715 9.226 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.902 10.259 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.570 10.794 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.501 11.873 -4.952 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.477 9.183 -4.782 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.296 9.061 -5.617 1.00 0.00 C ATOM 1006 C GLY A 66 -2.020 8.946 -4.805 1.00 0.00 C ATOM 1007 O GLY A 66 -1.009 8.444 -5.296 1.00 0.00 O ATOM 0 H GLY A 66 -4.620 8.414 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.396 8.184 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.228 9.928 -6.274 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.065 9.411 -3.560 1.00 0.00 N ATOM 1012 CA CYS A 67 -0.902 9.357 -2.682 1.00 0.00 C ATOM 1013 C CYS A 67 -0.518 7.913 -2.376 1.00 0.00 C ATOM 1014 O CYS A 67 -1.376 7.033 -2.311 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.184 10.109 -1.380 1.00 0.00 C ATOM 1016 SG CYS A 67 0.231 10.197 -0.258 1.00 0.00 S ATOM 0 H CYS A 67 -2.894 9.829 -3.137 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.068 9.835 -3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.507 11.122 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.013 9.624 -0.865 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.104 10.853 0.813 1.00 0.00 H new ATOM 1022 N VAL A 68 0.776 7.677 -2.189 1.00 0.00 N ATOM 1023 CA VAL A 68 1.273 6.340 -1.890 1.00 0.00 C ATOM 1024 C VAL A 68 1.113 6.013 -0.409 1.00 0.00 C ATOM 1025 O VAL A 68 1.798 6.582 0.440 1.00 0.00 O ATOM 1026 CB VAL A 68 2.757 6.190 -2.278 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.177 4.729 -2.230 1.00 0.00 C ATOM 1028 CG2 VAL A 68 3.012 6.779 -3.658 1.00 0.00 C ATOM 0 H VAL A 68 1.499 8.394 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 68 0.679 5.644 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 68 3.359 6.742 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.228 4.643 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.035 4.343 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.570 4.153 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.065 6.663 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.400 6.258 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.753 7.838 -3.655 1.00 0.00 H new ATOM 1038 N VAL A 69 0.203 5.092 -0.107 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.049 4.689 1.272 1.00 0.00 C ATOM 1040 C VAL A 69 0.975 3.661 1.741 1.00 0.00 C ATOM 1041 O VAL A 69 1.264 3.560 2.934 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.462 4.100 1.436 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.778 3.870 2.906 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.498 5.010 0.796 1.00 0.00 C ATOM 0 H VAL A 69 -0.372 4.611 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 69 0.036 5.587 1.884 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.495 3.137 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.781 3.453 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.054 3.174 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.726 4.818 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.490 4.577 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.466 5.990 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.281 5.117 -0.267 1.00 0.00 H new ATOM 1054 N ALA A 70 1.521 2.899 0.798 1.00 0.00 N ATOM 1055 CA ALA A 70 2.510 1.879 1.121 1.00 0.00 C ATOM 1056 C ALA A 70 3.235 1.402 -0.133 1.00 0.00 C ATOM 1057 O ALA A 70 3.166 2.041 -1.183 1.00 0.00 O ATOM 1058 CB ALA A 70 1.844 0.707 1.827 1.00 0.00 C ATOM 0 H ALA A 70 1.295 2.969 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 70 3.249 2.320 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.593 -0.049 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.377 1.055 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.085 0.274 1.176 1.00 0.00 H new ATOM 1064 N ARG A 71 3.931 0.275 -0.016 1.00 0.00 N ATOM 1065 CA ARG A 71 4.668 -0.287 -1.140 1.00 0.00 C ATOM 1066 C ARG A 71 4.556 -1.807 -1.154 1.00 0.00 C ATOM 1067 O ARG A 71 4.600 -2.453 -0.107 1.00 0.00 O ATOM 1068 CB ARG A 71 6.139 0.128 -1.071 1.00 0.00 C ATOM 1069 CG ARG A 71 6.455 1.384 -1.868 1.00 0.00 C ATOM 1070 CD ARG A 71 6.476 1.107 -3.363 1.00 0.00 C ATOM 1071 NE ARG A 71 7.830 1.161 -3.910 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.503 2.292 -4.112 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.951 3.462 -3.817 1.00 0.00 N ATOM 1074 NH2 ARG A 71 9.730 2.252 -4.611 1.00 0.00 N ATOM 0 H ARG A 71 3.999 -0.266 0.846 1.00 0.00 H new ATOM 0 HA ARG A 71 4.232 0.101 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.414 0.290 -0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.757 -0.691 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.712 2.151 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.422 1.780 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.046 0.124 -3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.848 1.836 -3.876 1.00 0.00 H new ATOM 0 HE ARG A 71 8.286 0.281 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.007 3.498 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.471 4.325 -3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.158 1.355 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.246 3.118 -4.766 1.00 0.00 H new ATOM 1088 N LEU A 72 4.409 -2.373 -2.347 1.00 0.00 N ATOM 1089 CA LEU A 72 4.289 -3.817 -2.499 1.00 0.00 C ATOM 1090 C LEU A 72 5.646 -4.447 -2.796 1.00 0.00 C ATOM 1091 O LEU A 72 6.587 -3.760 -3.194 1.00 0.00 O ATOM 1092 CB LEU A 72 3.296 -4.150 -3.616 1.00 0.00 C ATOM 1093 CG LEU A 72 2.007 -4.831 -3.154 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.322 -6.110 -2.396 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.186 -3.884 -2.291 1.00 0.00 C ATOM 0 H LEU A 72 4.370 -1.852 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 72 3.919 -4.230 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.036 -3.228 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.791 -4.797 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 72 1.419 -5.091 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.393 -6.581 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.869 -6.793 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.930 -5.875 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.272 -4.384 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.767 -3.593 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.930 -2.995 -2.868 1.00 0.00 H new ATOM 1107 N GLU A 73 5.739 -5.758 -2.601 1.00 0.00 N ATOM 1108 CA GLU A 73 6.981 -6.480 -2.848 1.00 0.00 C ATOM 1109 C GLU A 73 6.700 -7.855 -3.445 1.00 0.00 C ATOM 1110 O GLU A 73 6.566 -8.842 -2.721 1.00 0.00 O ATOM 1111 CB GLU A 73 7.780 -6.625 -1.551 1.00 0.00 C ATOM 1112 CG GLU A 73 9.272 -6.394 -1.726 1.00 0.00 C ATOM 1113 CD GLU A 73 10.019 -7.662 -2.092 1.00 0.00 C ATOM 1114 OE1 GLU A 73 9.617 -8.745 -1.619 1.00 0.00 O ATOM 1115 OE2 GLU A 73 11.005 -7.571 -2.853 1.00 0.00 O ATOM 0 H GLU A 73 4.970 -6.342 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 73 7.570 -5.906 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.395 -5.918 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.621 -7.624 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.432 -5.646 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.684 -5.988 -0.802 1.00 0.00 H new ATOM 1122 N LEU A 74 6.612 -7.911 -4.770 1.00 0.00 N ATOM 1123 CA LEU A 74 6.346 -9.164 -5.467 1.00 0.00 C ATOM 1124 C LEU A 74 7.470 -10.168 -5.231 1.00 0.00 C ATOM 1125 O LEU A 74 7.219 -11.354 -5.017 1.00 0.00 O ATOM 1126 CB LEU A 74 6.174 -8.907 -6.967 1.00 0.00 C ATOM 1127 CG LEU A 74 4.794 -9.253 -7.529 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.422 -10.687 -7.186 1.00 0.00 C ATOM 1129 CD2 LEU A 74 3.746 -8.287 -6.997 1.00 0.00 C ATOM 0 H LEU A 74 6.721 -7.103 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 74 5.423 -9.586 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.377 -7.855 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.925 -9.484 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 74 4.830 -9.159 -8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.437 -10.915 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.159 -11.366 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.403 -10.809 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.770 -8.547 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.712 -8.350 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.004 -7.270 -7.293 1.00 0.00 H new ATOM 1141 N ASP A 75 8.710 -9.682 -5.273 1.00 0.00 N ATOM 1142 CA ASP A 75 9.886 -10.528 -5.064 1.00 0.00 C ATOM 1143 C ASP A 75 10.243 -11.290 -6.337 1.00 0.00 C ATOM 1144 O ASP A 75 10.272 -12.521 -6.350 1.00 0.00 O ATOM 1145 CB ASP A 75 9.656 -11.509 -3.909 1.00 0.00 C ATOM 1146 CG ASP A 75 10.946 -11.888 -3.207 1.00 0.00 C ATOM 1147 OD1 ASP A 75 12.017 -11.793 -3.842 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.884 -12.279 -2.022 1.00 0.00 O ATOM 0 H ASP A 75 8.927 -8.701 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 75 10.721 -9.877 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.971 -11.063 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.175 -12.410 -4.291 1.00 0.00 H new ATOM 1153 N ASP A 76 10.514 -10.550 -7.407 1.00 0.00 N ATOM 1154 CA ASP A 76 10.871 -11.155 -8.685 1.00 0.00 C ATOM 1155 C ASP A 76 12.321 -11.628 -8.677 1.00 0.00 C ATOM 1156 O ASP A 76 13.217 -10.905 -8.241 1.00 0.00 O ATOM 1157 CB ASP A 76 10.653 -10.159 -9.824 1.00 0.00 C ATOM 1158 CG ASP A 76 10.430 -10.844 -11.158 1.00 0.00 C ATOM 1159 OD1 ASP A 76 10.825 -12.022 -11.293 1.00 0.00 O ATOM 1160 OD2 ASP A 76 9.860 -10.204 -12.066 1.00 0.00 O ATOM 0 H ASP A 76 10.493 -9.530 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 76 10.227 -12.020 -8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.793 -9.531 -9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.518 -9.500 -9.897 1.00 0.00 H new ATOM 1165 N LEU A 77 12.544 -12.846 -9.161 1.00 0.00 N ATOM 1166 CA LEU A 77 13.885 -13.417 -9.210 1.00 0.00 C ATOM 1167 C LEU A 77 14.604 -13.023 -10.500 1.00 0.00 C ATOM 1168 O LEU A 77 15.147 -13.874 -11.205 1.00 0.00 O ATOM 1169 CB LEU A 77 13.812 -14.941 -9.090 1.00 0.00 C ATOM 1170 CG LEU A 77 14.800 -15.561 -8.100 1.00 0.00 C ATOM 1171 CD1 LEU A 77 14.237 -16.850 -7.523 1.00 0.00 C ATOM 1172 CD2 LEU A 77 16.140 -15.815 -8.774 1.00 0.00 C ATOM 0 H LEU A 77 11.813 -13.457 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 77 14.455 -13.020 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.801 -15.219 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.986 -15.376 -10.074 1.00 0.00 H new ATOM 0 HG LEU A 77 14.956 -14.859 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.953 -17.277 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.302 -16.639 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.052 -17.559 -8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.831 -16.256 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.002 -16.499 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.548 -14.872 -9.138 1.00 0.00 H new ATOM 1184 N GLU A 78 14.602 -11.727 -10.802 1.00 0.00 N ATOM 1185 CA GLU A 78 15.253 -11.211 -12.005 1.00 0.00 C ATOM 1186 C GLU A 78 14.400 -11.478 -13.242 1.00 0.00 C ATOM 1187 O GLU A 78 14.788 -12.242 -14.125 1.00 0.00 O ATOM 1188 CB GLU A 78 16.643 -11.832 -12.181 1.00 0.00 C ATOM 1189 CG GLU A 78 17.637 -10.912 -12.870 1.00 0.00 C ATOM 1190 CD GLU A 78 18.878 -11.644 -13.343 1.00 0.00 C ATOM 1191 OE1 GLU A 78 19.225 -12.678 -12.735 1.00 0.00 O ATOM 1192 OE2 GLU A 78 19.502 -11.184 -14.322 1.00 0.00 O ATOM 0 H GLU A 78 14.155 -11.012 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 78 15.365 -10.133 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.035 -12.109 -11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.551 -12.752 -12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 78 17.154 -10.435 -13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.928 -10.118 -12.183 1.00 0.00 H new ATOM 1199 N HIS A 79 13.234 -10.842 -13.297 1.00 0.00 N ATOM 1200 CA HIS A 79 12.325 -11.010 -14.425 1.00 0.00 C ATOM 1201 C HIS A 79 11.555 -9.722 -14.699 1.00 0.00 C ATOM 1202 O HIS A 79 10.401 -9.756 -15.125 1.00 0.00 O ATOM 1203 CB HIS A 79 11.347 -12.155 -14.153 1.00 0.00 C ATOM 1204 CG HIS A 79 11.044 -12.982 -15.363 1.00 0.00 C ATOM 1205 ND1 HIS A 79 11.975 -13.800 -15.969 1.00 0.00 N ATOM 1206 CD2 HIS A 79 9.904 -13.118 -16.082 1.00 0.00 C ATOM 1207 CE1 HIS A 79 11.422 -14.400 -17.008 1.00 0.00 C ATOM 1208 NE2 HIS A 79 10.166 -14.004 -17.097 1.00 0.00 N ATOM 0 H HIS A 79 12.897 -10.206 -12.574 1.00 0.00 H new ATOM 0 HA HIS A 79 12.920 -11.251 -15.306 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.761 -12.799 -13.377 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.417 -11.743 -13.762 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.964 -12.622 -15.892 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.914 -15.096 -17.671 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.498 -14.307 -17.806 1.00 0.00 H new ATOM 1217 N HIS A 80 12.203 -8.588 -14.451 1.00 0.00 N ATOM 1218 CA HIS A 80 11.580 -7.288 -14.671 1.00 0.00 C ATOM 1219 C HIS A 80 12.480 -6.388 -15.511 1.00 0.00 C ATOM 1220 O HIS A 80 13.627 -6.734 -15.797 1.00 0.00 O ATOM 1221 CB HIS A 80 11.274 -6.614 -13.332 1.00 0.00 C ATOM 1222 CG HIS A 80 12.477 -6.451 -12.456 1.00 0.00 C ATOM 1223 ND1 HIS A 80 12.652 -7.146 -11.278 1.00 0.00 N ATOM 1224 CD2 HIS A 80 13.573 -5.665 -12.593 1.00 0.00 C ATOM 1225 CE1 HIS A 80 13.801 -6.795 -10.728 1.00 0.00 C ATOM 1226 NE2 HIS A 80 14.379 -5.899 -11.506 1.00 0.00 N ATOM 0 H HIS A 80 13.159 -8.543 -14.098 1.00 0.00 H new ATOM 0 HA HIS A 80 10.648 -7.447 -15.213 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.836 -5.634 -13.520 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.525 -7.202 -12.801 1.00 0.00 H new ATOM 0 HD1 HIS A 80 11.997 -7.825 -10.891 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.775 -4.982 -13.405 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.200 -7.176 -9.800 1.00 0.00 H new ATOM 1235 N HIS A 81 11.954 -5.233 -15.903 1.00 0.00 N ATOM 1236 CA HIS A 81 12.711 -4.283 -16.709 1.00 0.00 C ATOM 1237 C HIS A 81 13.697 -3.503 -15.846 1.00 0.00 C ATOM 1238 O HIS A 81 14.908 -3.568 -16.057 1.00 0.00 O ATOM 1239 CB HIS A 81 11.762 -3.316 -17.420 1.00 0.00 C ATOM 1240 CG HIS A 81 10.790 -3.995 -18.334 1.00 0.00 C ATOM 1241 ND1 HIS A 81 9.425 -3.967 -18.137 1.00 0.00 N ATOM 1242 CD2 HIS A 81 10.990 -4.723 -19.458 1.00 0.00 C ATOM 1243 CE1 HIS A 81 8.829 -4.649 -19.098 1.00 0.00 C ATOM 1244 NE2 HIS A 81 9.756 -5.117 -19.913 1.00 0.00 N ATOM 0 H HIS A 81 11.006 -4.932 -15.676 1.00 0.00 H new ATOM 0 HA HIS A 81 13.273 -4.844 -17.455 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.209 -2.747 -16.673 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.349 -2.600 -17.995 1.00 0.00 H new ATOM 0 HD2 HIS A 81 11.943 -4.951 -19.912 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.764 -4.798 -19.200 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.583 -5.680 -20.746 1.00 0.00 H new ATOM 1253 N HIS A 82 13.170 -2.767 -14.874 1.00 0.00 N ATOM 1254 CA HIS A 82 14.003 -1.975 -13.977 1.00 0.00 C ATOM 1255 C HIS A 82 13.569 -2.161 -12.527 1.00 0.00 C ATOM 1256 O HIS A 82 12.406 -2.453 -12.250 1.00 0.00 O ATOM 1257 CB HIS A 82 13.934 -0.494 -14.356 1.00 0.00 C ATOM 1258 CG HIS A 82 14.354 -0.217 -15.766 1.00 0.00 C ATOM 1259 ND1 HIS A 82 15.598 -0.550 -16.260 1.00 0.00 N ATOM 1260 CD2 HIS A 82 13.688 0.367 -16.790 1.00 0.00 C ATOM 1261 CE1 HIS A 82 15.679 -0.183 -17.527 1.00 0.00 C ATOM 1262 NE2 HIS A 82 14.533 0.375 -17.873 1.00 0.00 N ATOM 0 H HIS A 82 12.169 -2.702 -14.687 1.00 0.00 H new ATOM 0 HA HIS A 82 15.032 -2.321 -14.077 1.00 0.00 H new ATOM 0 HB2 HIS A 82 12.914 -0.138 -14.213 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.569 0.076 -13.678 1.00 0.00 H new ATOM 0 HD2 HIS A 82 12.680 0.754 -16.761 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.536 -0.317 -18.170 1.00 0.00 H new ATOM 0 HE2 HIS A 82 14.311 0.751 -18.795 1.00 0.00 H new ATOM 1271 N HIS A 83 14.511 -1.991 -11.605 1.00 0.00 N ATOM 1272 CA HIS A 83 14.225 -2.141 -10.183 1.00 0.00 C ATOM 1273 C HIS A 83 14.160 -0.784 -9.489 1.00 0.00 C ATOM 1274 O HIS A 83 13.526 -0.641 -8.443 1.00 0.00 O ATOM 1275 CB HIS A 83 15.287 -3.018 -9.516 1.00 0.00 C ATOM 1276 CG HIS A 83 14.963 -3.376 -8.099 1.00 0.00 C ATOM 1277 ND1 HIS A 83 15.768 -3.035 -7.033 1.00 0.00 N ATOM 1278 CD2 HIS A 83 13.912 -4.050 -7.574 1.00 0.00 C ATOM 1279 CE1 HIS A 83 15.228 -3.483 -5.914 1.00 0.00 C ATOM 1280 NE2 HIS A 83 14.101 -4.102 -6.215 1.00 0.00 N ATOM 0 H HIS A 83 15.479 -1.749 -11.817 1.00 0.00 H new ATOM 0 HA HIS A 83 13.252 -2.622 -10.086 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.407 -3.934 -10.095 1.00 0.00 H new ATOM 0 HB3 HIS A 83 16.244 -2.498 -9.541 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.081 -4.468 -8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.638 -3.363 -4.922 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.472 -4.547 -5.546 1.00 0.00 H new ATOM 1289 N HIS A 84 14.817 0.209 -10.077 1.00 0.00 N ATOM 1290 CA HIS A 84 14.833 1.554 -9.515 1.00 0.00 C ATOM 1291 C HIS A 84 13.641 2.365 -10.011 1.00 0.00 C ATOM 1292 O HIS A 84 12.936 2.957 -9.167 1.00 0.00 O ATOM 1293 CB HIS A 84 16.137 2.267 -9.879 1.00 0.00 C ATOM 1294 CG HIS A 84 17.361 1.569 -9.374 1.00 0.00 C ATOM 1295 ND1 HIS A 84 17.938 1.850 -8.153 1.00 0.00 N ATOM 1296 CD2 HIS A 84 18.121 0.597 -9.932 1.00 0.00 C ATOM 1297 CE1 HIS A 84 18.999 1.081 -7.982 1.00 0.00 C ATOM 1298 NE2 HIS A 84 19.131 0.312 -9.047 1.00 0.00 N ATOM 1299 OXT HIS A 84 13.422 2.402 -11.240 1.00 0.00 O ATOM 0 H HIS A 84 15.346 0.108 -10.943 1.00 0.00 H new ATOM 0 HA HIS A 84 14.765 1.468 -8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.202 2.358 -10.963 1.00 0.00 H new ATOM 0 HB3 HIS A 84 16.113 3.279 -9.475 1.00 0.00 H new ATOM 0 HD2 HIS A 84 17.962 0.133 -10.894 1.00 0.00 H new ATOM 0 HE1 HIS A 84 19.647 1.082 -7.118 1.00 0.00 H new ATOM 0 HE2 HIS A 84 19.865 -0.382 -9.189 1.00 0.00 H new TER 1308 HIS A 84