USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 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 8 ASN :FLIP amide:sc= -7.3! C(o=-20!,f=-12!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -157:sc= -4.64! (180deg=-3.94!) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.982 K(o=2.2,f=-2.7!) USER MOD Set 2.2: A 28 SER OG : rot -95:sc= 1.26 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -36:sc= 0.905 USER MOD Single : A 23 SER OG : rot 90:sc= 0.566 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.215 USER MOD Single : A 32 ASN : amide:sc= -0.0756 K(o=-0.076,f=-2!) USER MOD Single : A 33 THR OG1 : rot 69:sc= 0.234 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 18:sc= 0.241! USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0982 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0702 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 53 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.7) USER MOD Single : A 55 TYR OH : rot 155:sc= -0.481 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -122:sc= -1.22 (180deg=-3.49!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0794 X(o=-0.079,f=-0.55) USER MOD Single : A 74 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-4.3!) USER MOD Single : A 75 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-1) USER MOD Single : A 76 HIS : no HE2:sc= -0.293 K(o=-0.29,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.764 11.959 8.889 1.00 0.00 N ATOM 2 CA ALA A 1 5.627 11.012 8.740 1.00 0.00 C ATOM 3 C ALA A 1 5.717 10.362 7.377 1.00 0.00 C ATOM 4 O ALA A 1 4.848 10.505 6.531 1.00 0.00 O ATOM 5 CB ALA A 1 4.305 11.755 8.866 1.00 0.00 C ATOM 0 H1 ALA A 1 6.716 12.415 9.823 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.661 11.440 8.802 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.711 12.685 8.146 1.00 0.00 H new ATOM 0 HA ALA A 1 5.676 10.254 9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.480 11.051 8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.247 12.231 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.240 12.516 8.088 1.00 0.00 H new ATOM 13 N GLU A 2 6.765 9.637 7.176 1.00 0.00 N ATOM 14 CA GLU A 2 6.950 8.940 5.885 1.00 0.00 C ATOM 15 C GLU A 2 7.901 7.783 6.059 1.00 0.00 C ATOM 16 O GLU A 2 9.108 7.924 6.045 1.00 0.00 O ATOM 17 CB GLU A 2 7.508 9.881 4.816 1.00 0.00 C ATOM 18 CG GLU A 2 7.593 9.163 3.447 1.00 0.00 C ATOM 19 CD GLU A 2 8.092 10.155 2.385 1.00 0.00 C ATOM 20 OE1 GLU A 2 8.539 11.222 2.768 1.00 0.00 O ATOM 21 OE2 GLU A 2 8.015 9.834 1.206 1.00 0.00 O ATOM 0 H GLU A 2 7.511 9.494 7.856 1.00 0.00 H new ATOM 0 HA GLU A 2 5.973 8.582 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.872 10.762 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.497 10.230 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.269 8.311 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.615 8.773 3.166 1.00 0.00 H new ATOM 28 N LYS A 3 7.330 6.637 6.119 1.00 0.00 N ATOM 29 CA LYS A 3 8.102 5.376 6.165 1.00 0.00 C ATOM 30 C LYS A 3 7.702 4.796 4.834 1.00 0.00 C ATOM 31 O LYS A 3 6.704 5.252 4.308 1.00 0.00 O ATOM 32 CB LYS A 3 7.674 4.508 7.356 1.00 0.00 C ATOM 33 CG LYS A 3 8.698 3.383 7.557 1.00 0.00 C ATOM 34 CD LYS A 3 8.423 2.654 8.872 1.00 0.00 C ATOM 35 CE LYS A 3 7.129 1.857 8.762 1.00 0.00 C ATOM 36 NZ LYS A 3 7.037 0.931 9.913 1.00 0.00 N ATOM 0 H LYS A 3 6.318 6.509 6.139 1.00 0.00 H new ATOM 0 HA LYS A 3 9.178 5.475 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.603 5.117 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.685 4.087 7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.647 2.681 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.707 3.796 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.252 1.987 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.349 3.373 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.272 2.530 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.109 1.298 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.156 0.382 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.851 0.283 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.039 1.476 10.798 1.00 0.00 H new ATOM 50 N THR A 4 8.436 3.915 4.192 1.00 0.00 N ATOM 51 CA THR A 4 7.948 3.568 2.810 1.00 0.00 C ATOM 52 C THR A 4 8.087 2.109 2.383 1.00 0.00 C ATOM 53 O THR A 4 9.114 1.454 2.535 1.00 0.00 O ATOM 54 CB THR A 4 8.700 4.487 1.840 1.00 0.00 C ATOM 55 OG1 THR A 4 8.974 5.724 2.483 1.00 0.00 O ATOM 56 CG2 THR A 4 7.858 4.753 0.593 1.00 0.00 C ATOM 0 H THR A 4 9.282 3.453 4.525 1.00 0.00 H new ATOM 0 HA THR A 4 6.868 3.718 2.804 1.00 0.00 H new ATOM 0 HB THR A 4 9.629 3.999 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.456 6.314 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.407 5.407 -0.084 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.643 3.810 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.923 5.233 0.881 1.00 0.00 H new ATOM 64 N GLY A 5 6.988 1.667 1.791 1.00 0.00 N ATOM 65 CA GLY A 5 6.845 0.295 1.220 1.00 0.00 C ATOM 66 C GLY A 5 6.931 0.446 -0.300 1.00 0.00 C ATOM 67 O GLY A 5 6.343 1.351 -0.877 1.00 0.00 O ATOM 0 H GLY A 5 6.151 2.240 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.632 -0.363 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.894 -0.150 1.512 1.00 0.00 H new ATOM 71 N ILE A 6 7.662 -0.404 -0.953 1.00 0.00 N ATOM 72 CA ILE A 6 7.797 -0.299 -2.427 1.00 0.00 C ATOM 73 C ILE A 6 6.819 -1.279 -3.073 1.00 0.00 C ATOM 74 O ILE A 6 6.856 -2.467 -2.819 1.00 0.00 O ATOM 75 CB ILE A 6 9.230 -0.657 -2.792 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.199 0.220 -1.975 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.460 -0.446 -4.285 1.00 0.00 C ATOM 78 CD1 ILE A 6 9.872 1.707 -2.152 1.00 0.00 C ATOM 0 H ILE A 6 8.177 -1.174 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 6 7.573 0.708 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 6 9.411 -1.706 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.136 -0.047 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.224 0.029 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.489 -0.705 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.778 -1.080 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.278 0.599 -4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.569 2.305 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.959 1.976 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.854 1.899 -1.812 1.00 0.00 H new ATOM 90 N VAL A 7 5.932 -0.791 -3.889 1.00 0.00 N ATOM 91 CA VAL A 7 4.937 -1.689 -4.536 1.00 0.00 C ATOM 92 C VAL A 7 5.577 -2.381 -5.742 1.00 0.00 C ATOM 93 O VAL A 7 6.214 -1.754 -6.565 1.00 0.00 O ATOM 94 CB VAL A 7 3.738 -0.863 -4.993 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.777 -1.749 -5.786 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.022 -0.297 -3.767 1.00 0.00 C ATOM 0 H VAL A 7 5.852 0.195 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 7 4.608 -2.445 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 7 4.077 -0.045 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.921 -1.157 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.291 -2.154 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.433 -2.568 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.164 0.294 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.682 -1.116 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.709 0.335 -3.204 1.00 0.00 H new ATOM 106 N ASN A 8 5.412 -3.672 -5.853 1.00 0.00 N ATOM 107 CA ASN A 8 6.003 -4.415 -7.007 1.00 0.00 C ATOM 108 C ASN A 8 5.058 -5.550 -7.413 1.00 0.00 C ATOM 109 O ASN A 8 4.920 -6.532 -6.708 1.00 0.00 O ATOM 110 CB ASN A 8 7.355 -5.000 -6.597 1.00 0.00 C ATOM 111 CG ASN A 8 7.972 -5.748 -7.780 1.00 0.00 C ATOM 112 OD1 ASN A 8 9.269 -5.879 -7.848 1.00 0.00 O flip ATOM 113 ND2 ASN A 8 7.269 -6.220 -8.653 1.00 0.00 N flip ATOM 0 H ASN A 8 4.891 -4.248 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 8 6.142 -3.736 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.023 -4.203 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.228 -5.677 -5.752 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.255 -6.119 -8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.693 -6.717 -9.436 1.00 0.00 H new ATOM 120 N VAL A 9 4.398 -5.425 -8.540 1.00 0.00 N ATOM 121 CA VAL A 9 3.453 -6.499 -8.991 1.00 0.00 C ATOM 122 C VAL A 9 3.648 -6.781 -10.479 1.00 0.00 C ATOM 123 O VAL A 9 4.222 -5.996 -11.210 1.00 0.00 O ATOM 124 CB VAL A 9 2.009 -6.052 -8.748 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.749 -5.928 -7.244 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.777 -4.699 -9.423 1.00 0.00 C ATOM 0 H VAL A 9 4.472 -4.625 -9.168 1.00 0.00 H new ATOM 0 HA VAL A 9 3.657 -7.407 -8.423 1.00 0.00 H new ATOM 0 HB VAL A 9 1.327 -6.791 -9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.720 -5.610 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.912 -6.894 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.430 -5.192 -6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.749 -4.378 -9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.462 -3.961 -9.005 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.954 -4.792 -10.495 1.00 0.00 H new ATOM 136 N SER A 10 3.169 -7.907 -10.929 1.00 0.00 N ATOM 137 CA SER A 10 3.312 -8.269 -12.365 1.00 0.00 C ATOM 138 C SER A 10 2.591 -7.240 -13.239 1.00 0.00 C ATOM 139 O SER A 10 3.097 -6.825 -14.265 1.00 0.00 O ATOM 140 CB SER A 10 2.696 -9.650 -12.594 1.00 0.00 C ATOM 141 OG SER A 10 2.562 -9.878 -13.991 1.00 0.00 O ATOM 0 H SER A 10 2.681 -8.597 -10.358 1.00 0.00 H new ATOM 0 HA SER A 10 4.369 -8.283 -12.631 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.324 -10.420 -12.147 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.722 -9.712 -12.109 1.00 0.00 H new ATOM 0 HG SER A 10 2.169 -10.763 -14.142 1.00 0.00 H new ATOM 147 N SER A 11 1.404 -6.835 -12.848 1.00 0.00 N ATOM 148 CA SER A 11 0.627 -5.839 -13.656 1.00 0.00 C ATOM 149 C SER A 11 0.265 -4.623 -12.794 1.00 0.00 C ATOM 150 O SER A 11 1.004 -3.659 -12.724 1.00 0.00 O ATOM 151 CB SER A 11 -0.658 -6.498 -14.159 1.00 0.00 C ATOM 152 OG SER A 11 -0.330 -7.488 -15.124 1.00 0.00 O ATOM 0 H SER A 11 0.938 -7.154 -11.999 1.00 0.00 H new ATOM 0 HA SER A 11 1.236 -5.509 -14.498 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.199 -6.949 -13.327 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.317 -5.749 -14.599 1.00 0.00 H new ATOM 0 HG SER A 11 -1.151 -7.914 -15.448 1.00 0.00 H new ATOM 158 N SER A 12 -0.876 -4.660 -12.151 1.00 0.00 N ATOM 159 CA SER A 12 -1.319 -3.509 -11.298 1.00 0.00 C ATOM 160 C SER A 12 -1.736 -4.019 -9.916 1.00 0.00 C ATOM 161 O SER A 12 -2.081 -5.172 -9.745 1.00 0.00 O ATOM 162 CB SER A 12 -2.514 -2.825 -11.964 1.00 0.00 C ATOM 163 OG SER A 12 -2.070 -2.117 -13.116 1.00 0.00 O ATOM 0 H SER A 12 -1.527 -5.445 -12.180 1.00 0.00 H new ATOM 0 HA SER A 12 -0.498 -2.801 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.262 -3.567 -12.245 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.992 -2.140 -11.264 1.00 0.00 H new ATOM 0 HG SER A 12 -2.834 -1.679 -13.546 1.00 0.00 H new ATOM 169 N LEU A 13 -1.710 -3.158 -8.926 1.00 0.00 N ATOM 170 CA LEU A 13 -2.105 -3.563 -7.537 1.00 0.00 C ATOM 171 C LEU A 13 -3.381 -2.816 -7.144 1.00 0.00 C ATOM 172 O LEU A 13 -3.481 -1.614 -7.294 1.00 0.00 O ATOM 173 CB LEU A 13 -0.978 -3.194 -6.563 1.00 0.00 C ATOM 174 CG LEU A 13 -1.383 -3.521 -5.116 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.783 -5.001 -4.992 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.196 -3.230 -4.192 1.00 0.00 C ATOM 0 H LEU A 13 -1.429 -2.182 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.281 -4.638 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.071 -3.739 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.748 -2.132 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.238 -2.906 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.067 -5.216 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.626 -5.206 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.940 -5.631 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.472 -3.458 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.653 -3.847 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.076 -2.177 -4.270 1.00 0.00 H new ATOM 188 N ASN A 14 -4.356 -3.522 -6.642 1.00 0.00 N ATOM 189 CA ASN A 14 -5.633 -2.867 -6.237 1.00 0.00 C ATOM 190 C ASN A 14 -5.529 -2.392 -4.787 1.00 0.00 C ATOM 191 O ASN A 14 -4.906 -3.026 -3.958 1.00 0.00 O ATOM 192 CB ASN A 14 -6.778 -3.871 -6.368 1.00 0.00 C ATOM 193 CG ASN A 14 -7.098 -4.075 -7.849 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.715 -3.277 -8.681 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.793 -5.116 -8.217 1.00 0.00 N ATOM 0 H ASN A 14 -4.323 -4.531 -6.494 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.824 -2.009 -6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.500 -4.820 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.659 -3.507 -5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.014 -5.259 -9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.115 -5.787 -7.519 1.00 0.00 H new ATOM 202 N VAL A 15 -6.135 -1.278 -4.474 1.00 0.00 N ATOM 203 CA VAL A 15 -6.075 -0.752 -3.077 1.00 0.00 C ATOM 204 C VAL A 15 -7.283 -1.274 -2.299 1.00 0.00 C ATOM 205 O VAL A 15 -8.406 -1.206 -2.759 1.00 0.00 O ATOM 206 CB VAL A 15 -6.114 0.777 -3.116 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.221 1.330 -1.693 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.832 1.295 -3.772 1.00 0.00 C ATOM 0 H VAL A 15 -6.671 -0.707 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.156 -1.080 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.980 1.104 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.248 2.419 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.133 0.959 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.358 1.007 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.854 2.384 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.969 0.965 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.759 0.905 -4.787 1.00 0.00 H new ATOM 218 N ARG A 16 -7.057 -1.804 -1.125 1.00 0.00 N ATOM 219 CA ARG A 16 -8.183 -2.351 -0.301 1.00 0.00 C ATOM 220 C ARG A 16 -8.453 -1.418 0.882 1.00 0.00 C ATOM 221 O ARG A 16 -7.543 -0.938 1.530 1.00 0.00 O ATOM 222 CB ARG A 16 -7.783 -3.734 0.210 1.00 0.00 C ATOM 223 CG ARG A 16 -7.707 -4.695 -0.978 1.00 0.00 C ATOM 224 CD ARG A 16 -7.296 -6.084 -0.493 1.00 0.00 C ATOM 225 NE ARG A 16 -5.893 -6.038 0.014 1.00 0.00 N ATOM 226 CZ ARG A 16 -4.899 -5.962 -0.830 1.00 0.00 C ATOM 227 NH1 ARG A 16 -5.130 -5.915 -2.113 1.00 0.00 N ATOM 228 NH2 ARG A 16 -3.670 -5.930 -0.387 1.00 0.00 N ATOM 0 H ARG A 16 -6.135 -1.883 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.088 -2.426 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.820 -3.685 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.510 -4.092 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.674 -4.746 -1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.988 -4.327 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.969 -6.419 0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.376 -6.804 -1.307 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.711 -6.066 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.089 -5.938 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.352 -5.856 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.488 -5.964 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.892 -5.871 -1.044 1.00 0.00 H new ATOM 242 N GLU A 17 -9.701 -1.147 1.164 1.00 0.00 N ATOM 243 CA GLU A 17 -10.036 -0.233 2.298 1.00 0.00 C ATOM 244 C GLU A 17 -10.281 -1.046 3.573 1.00 0.00 C ATOM 245 O GLU A 17 -11.392 -1.438 3.862 1.00 0.00 O ATOM 246 CB GLU A 17 -11.306 0.546 1.948 1.00 0.00 C ATOM 247 CG GLU A 17 -11.644 1.524 3.075 1.00 0.00 C ATOM 248 CD GLU A 17 -12.852 2.366 2.668 1.00 0.00 C ATOM 249 OE1 GLU A 17 -13.178 2.367 1.493 1.00 0.00 O ATOM 250 OE2 GLU A 17 -13.432 2.995 3.538 1.00 0.00 O ATOM 0 H GLU A 17 -10.504 -1.519 0.657 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.206 0.453 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.164 1.089 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.135 -0.144 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.860 0.978 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.790 2.169 3.281 1.00 0.00 H new ATOM 257 N GLY A 18 -9.252 -1.286 4.348 1.00 0.00 N ATOM 258 CA GLY A 18 -9.417 -2.061 5.620 1.00 0.00 C ATOM 259 C GLY A 18 -8.375 -3.175 5.684 1.00 0.00 C ATOM 260 O GLY A 18 -7.502 -3.277 4.843 1.00 0.00 O ATOM 0 H GLY A 18 -8.299 -0.977 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.307 -1.398 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.420 -2.485 5.671 1.00 0.00 H new ATOM 264 N ALA A 19 -8.466 -4.014 6.680 1.00 0.00 N ATOM 265 CA ALA A 19 -7.494 -5.139 6.828 1.00 0.00 C ATOM 266 C ALA A 19 -8.175 -6.451 6.422 1.00 0.00 C ATOM 267 O ALA A 19 -7.868 -7.507 6.942 1.00 0.00 O ATOM 268 CB ALA A 19 -7.055 -5.234 8.291 1.00 0.00 C ATOM 0 H ALA A 19 -9.180 -3.968 7.407 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.626 -4.962 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.345 -6.053 8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.581 -4.299 8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.925 -5.417 8.921 1.00 0.00 H new ATOM 274 N SER A 20 -9.102 -6.390 5.497 1.00 0.00 N ATOM 275 CA SER A 20 -9.820 -7.627 5.046 1.00 0.00 C ATOM 276 C SER A 20 -9.886 -7.656 3.517 1.00 0.00 C ATOM 277 O SER A 20 -9.940 -6.635 2.862 1.00 0.00 O ATOM 278 CB SER A 20 -11.238 -7.629 5.617 1.00 0.00 C ATOM 279 OG SER A 20 -11.180 -7.900 7.013 1.00 0.00 O ATOM 0 H SER A 20 -9.395 -5.531 5.031 1.00 0.00 H new ATOM 0 HA SER A 20 -9.282 -8.506 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.715 -6.665 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.845 -8.381 5.113 1.00 0.00 H new ATOM 0 HG SER A 20 -12.087 -7.901 7.384 1.00 0.00 H new ATOM 285 N THR A 21 -9.880 -8.829 2.945 1.00 0.00 N ATOM 286 CA THR A 21 -9.938 -8.947 1.461 1.00 0.00 C ATOM 287 C THR A 21 -11.303 -8.481 0.944 1.00 0.00 C ATOM 288 O THR A 21 -11.418 -7.973 -0.157 1.00 0.00 O ATOM 289 CB THR A 21 -9.714 -10.409 1.066 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.637 -11.231 1.767 1.00 0.00 O ATOM 291 CG2 THR A 21 -8.285 -10.815 1.423 1.00 0.00 C ATOM 0 H THR A 21 -9.837 -9.716 3.446 1.00 0.00 H new ATOM 0 HA THR A 21 -9.163 -8.319 1.021 1.00 0.00 H new ATOM 0 HB THR A 21 -9.866 -10.530 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.498 -12.168 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.122 -11.856 1.143 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.581 -10.180 0.885 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.131 -10.699 2.496 1.00 0.00 H new ATOM 299 N SER A 22 -12.336 -8.654 1.721 1.00 0.00 N ATOM 300 CA SER A 22 -13.692 -8.228 1.269 1.00 0.00 C ATOM 301 C SER A 22 -13.809 -6.704 1.361 1.00 0.00 C ATOM 302 O SER A 22 -14.870 -6.140 1.175 1.00 0.00 O ATOM 303 CB SER A 22 -14.752 -8.870 2.164 1.00 0.00 C ATOM 304 OG SER A 22 -16.043 -8.510 1.696 1.00 0.00 O ATOM 0 H SER A 22 -12.301 -9.072 2.651 1.00 0.00 H new ATOM 0 HA SER A 22 -13.844 -8.543 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.640 -9.954 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.622 -8.541 3.195 1.00 0.00 H new ATOM 0 HG SER A 22 -16.025 -7.589 1.361 1.00 0.00 H new ATOM 310 N SER A 23 -12.727 -6.036 1.655 1.00 0.00 N ATOM 311 CA SER A 23 -12.774 -4.549 1.773 1.00 0.00 C ATOM 312 C SER A 23 -13.103 -3.923 0.413 1.00 0.00 C ATOM 313 O SER A 23 -12.766 -4.452 -0.630 1.00 0.00 O ATOM 314 CB SER A 23 -11.421 -4.039 2.271 1.00 0.00 C ATOM 315 OG SER A 23 -11.309 -4.295 3.665 1.00 0.00 O ATOM 0 H SER A 23 -11.812 -6.455 1.819 1.00 0.00 H new ATOM 0 HA SER A 23 -13.552 -4.267 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.612 -4.533 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.328 -2.971 2.077 1.00 0.00 H new ATOM 0 HG SER A 23 -10.900 -5.175 3.804 1.00 0.00 H new ATOM 321 N LYS A 24 -13.771 -2.801 0.424 1.00 0.00 N ATOM 322 CA LYS A 24 -14.144 -2.124 -0.853 1.00 0.00 C ATOM 323 C LYS A 24 -12.906 -1.521 -1.516 1.00 0.00 C ATOM 324 O LYS A 24 -12.023 -1.004 -0.858 1.00 0.00 O ATOM 325 CB LYS A 24 -15.140 -1.008 -0.550 1.00 0.00 C ATOM 326 CG LYS A 24 -16.456 -1.626 -0.083 1.00 0.00 C ATOM 327 CD LYS A 24 -17.425 -0.522 0.359 1.00 0.00 C ATOM 328 CE LYS A 24 -18.034 0.173 -0.864 1.00 0.00 C ATOM 329 NZ LYS A 24 -19.164 1.037 -0.422 1.00 0.00 N ATOM 0 H LYS A 24 -14.077 -2.320 1.270 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.587 -2.856 -1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.741 -0.347 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.305 -0.400 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.900 -2.210 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.272 -2.313 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.217 -0.949 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.899 0.207 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.278 0.773 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.386 -0.568 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.582 1.512 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.887 0.452 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.813 1.752 0.247 1.00 0.00 H new ATOM 343 N VAL A 25 -12.843 -1.573 -2.820 1.00 0.00 N ATOM 344 CA VAL A 25 -11.672 -0.996 -3.543 1.00 0.00 C ATOM 345 C VAL A 25 -11.907 0.496 -3.775 1.00 0.00 C ATOM 346 O VAL A 25 -12.934 0.898 -4.286 1.00 0.00 O ATOM 347 CB VAL A 25 -11.521 -1.702 -4.886 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.207 -1.282 -5.548 1.00 0.00 C ATOM 349 CG2 VAL A 25 -11.519 -3.214 -4.657 1.00 0.00 C ATOM 0 H VAL A 25 -13.555 -1.992 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.767 -1.133 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.351 -1.428 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.104 -1.789 -6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.208 -0.204 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.371 -1.553 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.411 -3.727 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.687 -3.482 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.457 -3.512 -4.189 1.00 0.00 H new ATOM 359 N ILE A 26 -10.964 1.323 -3.402 1.00 0.00 N ATOM 360 CA ILE A 26 -11.120 2.799 -3.595 1.00 0.00 C ATOM 361 C ILE A 26 -10.202 3.277 -4.722 1.00 0.00 C ATOM 362 O ILE A 26 -10.209 4.437 -5.088 1.00 0.00 O ATOM 363 CB ILE A 26 -10.757 3.514 -2.295 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.393 3.021 -1.811 1.00 0.00 C ATOM 365 CG2 ILE A 26 -11.817 3.205 -1.236 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.937 3.862 -0.617 1.00 0.00 C ATOM 0 H ILE A 26 -10.086 1.038 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.152 3.024 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.715 4.590 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.455 1.971 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.663 3.090 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.562 3.714 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.790 3.551 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.855 2.130 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.965 3.509 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.859 4.907 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.663 3.770 0.191 1.00 0.00 H new ATOM 378 N GLY A 27 -9.414 2.400 -5.284 1.00 0.00 N ATOM 379 CA GLY A 27 -8.508 2.825 -6.393 1.00 0.00 C ATOM 380 C GLY A 27 -7.456 1.743 -6.654 1.00 0.00 C ATOM 381 O GLY A 27 -7.416 0.724 -5.991 1.00 0.00 O ATOM 0 H GLY A 27 -9.357 1.415 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.088 3.006 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.019 3.764 -6.135 1.00 0.00 H new ATOM 385 N SER A 28 -6.600 1.966 -7.620 1.00 0.00 N ATOM 386 CA SER A 28 -5.531 0.968 -7.949 1.00 0.00 C ATOM 387 C SER A 28 -4.196 1.697 -8.122 1.00 0.00 C ATOM 388 O SER A 28 -4.157 2.861 -8.463 1.00 0.00 O ATOM 389 CB SER A 28 -5.892 0.249 -9.249 1.00 0.00 C ATOM 390 OG SER A 28 -7.016 -0.592 -9.023 1.00 0.00 O ATOM 0 H SER A 28 -6.595 2.804 -8.201 1.00 0.00 H new ATOM 0 HA SER A 28 -5.447 0.240 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.118 0.976 -10.030 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.045 -0.342 -9.599 1.00 0.00 H new ATOM 0 HG SER A 28 -6.710 -1.503 -8.830 1.00 0.00 H new ATOM 396 N LEU A 29 -3.097 1.018 -7.884 1.00 0.00 N ATOM 397 CA LEU A 29 -1.750 1.662 -8.028 1.00 0.00 C ATOM 398 C LEU A 29 -0.898 0.851 -9.008 1.00 0.00 C ATOM 399 O LEU A 29 -1.008 -0.355 -9.098 1.00 0.00 O ATOM 400 CB LEU A 29 -1.063 1.709 -6.660 1.00 0.00 C ATOM 401 CG LEU A 29 -1.919 2.522 -5.678 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.255 2.500 -4.297 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.049 3.978 -6.167 1.00 0.00 C ATOM 0 H LEU A 29 -3.075 0.040 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.867 2.676 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.918 0.698 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.074 2.159 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.914 2.082 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.858 3.076 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.175 1.470 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.259 2.938 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.658 4.545 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.059 4.429 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.522 3.991 -7.149 1.00 0.00 H new ATOM 415 N SER A 30 -0.058 1.516 -9.755 1.00 0.00 N ATOM 416 CA SER A 30 0.795 0.804 -10.751 1.00 0.00 C ATOM 417 C SER A 30 2.003 0.156 -10.063 1.00 0.00 C ATOM 418 O SER A 30 2.343 0.476 -8.941 1.00 0.00 O ATOM 419 CB SER A 30 1.278 1.806 -11.800 1.00 0.00 C ATOM 420 OG SER A 30 2.242 1.183 -12.634 1.00 0.00 O ATOM 0 H SER A 30 0.075 2.527 -9.718 1.00 0.00 H new ATOM 0 HA SER A 30 0.207 0.019 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.437 2.159 -12.397 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.712 2.679 -11.313 1.00 0.00 H new ATOM 0 HG SER A 30 2.553 1.822 -13.309 1.00 0.00 H new ATOM 426 N GLY A 31 2.648 -0.765 -10.737 1.00 0.00 N ATOM 427 CA GLY A 31 3.833 -1.456 -10.143 1.00 0.00 C ATOM 428 C GLY A 31 4.987 -0.469 -9.946 1.00 0.00 C ATOM 429 O GLY A 31 5.014 0.599 -10.532 1.00 0.00 O ATOM 0 H GLY A 31 2.402 -1.069 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.560 -1.901 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.151 -2.270 -10.794 1.00 0.00 H new ATOM 433 N ASN A 32 5.939 -0.821 -9.116 1.00 0.00 N ATOM 434 CA ASN A 32 7.101 0.081 -8.858 1.00 0.00 C ATOM 435 C ASN A 32 6.596 1.452 -8.410 1.00 0.00 C ATOM 436 O ASN A 32 7.208 2.470 -8.672 1.00 0.00 O ATOM 437 CB ASN A 32 7.946 0.233 -10.128 1.00 0.00 C ATOM 438 CG ASN A 32 8.702 -1.071 -10.395 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.842 -1.898 -9.515 1.00 0.00 O ATOM 440 ND2 ASN A 32 9.203 -1.293 -11.581 1.00 0.00 N ATOM 0 H ASN A 32 5.959 -1.702 -8.603 1.00 0.00 H new ATOM 0 HA ASN A 32 7.719 -0.354 -8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.306 0.476 -10.977 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.650 1.057 -10.013 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.710 -2.158 -11.767 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.087 -0.601 -12.321 1.00 0.00 H new ATOM 447 N THR A 33 5.483 1.483 -7.727 1.00 0.00 N ATOM 448 CA THR A 33 4.922 2.780 -7.242 1.00 0.00 C ATOM 449 C THR A 33 5.280 2.955 -5.764 1.00 0.00 C ATOM 450 O THR A 33 5.013 2.097 -4.945 1.00 0.00 O ATOM 451 CB THR A 33 3.400 2.769 -7.407 1.00 0.00 C ATOM 452 OG1 THR A 33 3.079 2.768 -8.791 1.00 0.00 O ATOM 453 CG2 THR A 33 2.800 4.012 -6.747 1.00 0.00 C ATOM 0 H THR A 33 4.933 0.659 -7.482 1.00 0.00 H new ATOM 0 HA THR A 33 5.339 3.605 -7.820 1.00 0.00 H new ATOM 0 HB THR A 33 2.990 1.877 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.335 1.908 -9.186 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.717 4.000 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.048 4.016 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.207 4.907 -7.218 1.00 0.00 H new ATOM 461 N LYS A 34 5.883 4.055 -5.419 1.00 0.00 N ATOM 462 CA LYS A 34 6.263 4.287 -3.997 1.00 0.00 C ATOM 463 C LYS A 34 5.037 4.747 -3.210 1.00 0.00 C ATOM 464 O LYS A 34 4.323 5.637 -3.630 1.00 0.00 O ATOM 465 CB LYS A 34 7.338 5.374 -3.946 1.00 0.00 C ATOM 466 CG LYS A 34 7.821 5.562 -2.513 1.00 0.00 C ATOM 467 CD LYS A 34 8.900 6.662 -2.463 1.00 0.00 C ATOM 468 CE LYS A 34 10.232 6.132 -3.003 1.00 0.00 C ATOM 469 NZ LYS A 34 11.318 7.079 -2.633 1.00 0.00 N ATOM 0 H LYS A 34 6.131 4.807 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 34 6.645 3.365 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.175 5.099 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.937 6.312 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.983 5.833 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.226 4.625 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.579 7.522 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.028 7.007 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.438 5.144 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.182 6.022 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.226 6.725 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.120 8.013 -3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.369 7.162 -1.598 1.00 0.00 H new ATOM 483 N VAL A 35 4.791 4.156 -2.062 1.00 0.00 N ATOM 484 CA VAL A 35 3.612 4.566 -1.232 1.00 0.00 C ATOM 485 C VAL A 35 4.089 4.889 0.185 1.00 0.00 C ATOM 486 O VAL A 35 4.842 4.141 0.795 1.00 0.00 O ATOM 487 CB VAL A 35 2.583 3.435 -1.196 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.926 3.310 -2.574 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.277 2.118 -0.839 1.00 0.00 C ATOM 0 H VAL A 35 5.357 3.407 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 35 3.144 5.448 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 35 1.824 3.655 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.191 2.505 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.431 4.247 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.688 3.088 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.541 1.314 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.036 1.892 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.748 2.209 0.140 1.00 0.00 H new ATOM 499 N THR A 36 3.664 6.011 0.702 1.00 0.00 N ATOM 500 CA THR A 36 4.086 6.425 2.069 1.00 0.00 C ATOM 501 C THR A 36 3.335 5.604 3.115 1.00 0.00 C ATOM 502 O THR A 36 2.134 5.430 3.037 1.00 0.00 O ATOM 503 CB THR A 36 3.765 7.908 2.265 1.00 0.00 C ATOM 504 OG1 THR A 36 2.356 8.088 2.260 1.00 0.00 O ATOM 505 CG2 THR A 36 4.387 8.721 1.128 1.00 0.00 C ATOM 0 H THR A 36 3.037 6.663 0.230 1.00 0.00 H new ATOM 0 HA THR A 36 5.157 6.258 2.183 1.00 0.00 H new ATOM 0 HB THR A 36 4.174 8.247 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.916 7.228 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.158 9.777 1.268 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.468 8.581 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.979 8.385 0.175 1.00 0.00 H new ATOM 513 N ILE A 37 4.040 5.114 4.102 1.00 0.00 N ATOM 514 CA ILE A 37 3.394 4.305 5.183 1.00 0.00 C ATOM 515 C ILE A 37 3.426 5.091 6.492 1.00 0.00 C ATOM 516 O ILE A 37 4.458 5.575 6.915 1.00 0.00 O ATOM 517 CB ILE A 37 4.158 2.988 5.362 1.00 0.00 C ATOM 518 CG1 ILE A 37 3.964 2.123 4.113 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.634 2.246 6.595 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.912 0.924 4.159 1.00 0.00 C ATOM 0 H ILE A 37 5.047 5.240 4.207 1.00 0.00 H new ATOM 0 HA ILE A 37 2.361 4.092 4.909 1.00 0.00 H new ATOM 0 HB ILE A 37 5.219 3.197 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.931 1.779 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.154 2.714 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.181 1.311 6.717 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.775 2.866 7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.573 2.032 6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.769 0.313 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.943 1.276 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.701 0.327 5.046 1.00 0.00 H new ATOM 532 N VAL A 38 2.295 5.214 7.136 1.00 0.00 N ATOM 533 CA VAL A 38 2.224 5.959 8.429 1.00 0.00 C ATOM 534 C VAL A 38 1.894 4.977 9.556 1.00 0.00 C ATOM 535 O VAL A 38 1.818 5.348 10.711 1.00 0.00 O ATOM 536 CB VAL A 38 1.129 7.023 8.335 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.481 8.022 7.232 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.204 6.351 8.005 1.00 0.00 C ATOM 0 H VAL A 38 1.407 4.826 6.818 1.00 0.00 H new ATOM 0 HA VAL A 38 3.180 6.440 8.635 1.00 0.00 H new ATOM 0 HB VAL A 38 1.048 7.547 9.287 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.701 8.780 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.433 8.500 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.561 7.499 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.986 7.107 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.122 5.828 7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.456 5.638 8.790 1.00 0.00 H new ATOM 548 N GLY A 39 1.704 3.724 9.232 1.00 0.00 N ATOM 549 CA GLY A 39 1.383 2.722 10.294 1.00 0.00 C ATOM 550 C GLY A 39 1.220 1.332 9.667 1.00 0.00 C ATOM 551 O GLY A 39 1.372 1.155 8.473 1.00 0.00 O ATOM 0 H GLY A 39 1.757 3.352 8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.177 2.703 11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.467 3.007 10.811 1.00 0.00 H new ATOM 555 N GLU A 40 0.909 0.343 10.466 1.00 0.00 N ATOM 556 CA GLU A 40 0.729 -1.044 9.928 1.00 0.00 C ATOM 557 C GLU A 40 -0.415 -1.741 10.671 1.00 0.00 C ATOM 558 O GLU A 40 -0.777 -1.363 11.769 1.00 0.00 O ATOM 559 CB GLU A 40 2.019 -1.842 10.128 1.00 0.00 C ATOM 560 CG GLU A 40 2.396 -1.857 11.612 1.00 0.00 C ATOM 561 CD GLU A 40 3.684 -2.662 11.796 1.00 0.00 C ATOM 562 OE1 GLU A 40 3.767 -3.742 11.236 1.00 0.00 O ATOM 563 OE2 GLU A 40 4.564 -2.185 12.493 1.00 0.00 O ATOM 0 H GLU A 40 0.771 0.435 11.472 1.00 0.00 H new ATOM 0 HA GLU A 40 0.493 -0.988 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.886 -2.862 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.825 -1.399 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.535 -0.838 11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.591 -2.298 12.200 1.00 0.00 H new ATOM 570 N GLU A 41 -0.981 -2.766 10.088 1.00 0.00 N ATOM 571 CA GLU A 41 -2.095 -3.493 10.770 1.00 0.00 C ATOM 572 C GLU A 41 -2.160 -4.938 10.260 1.00 0.00 C ATOM 573 O GLU A 41 -2.485 -5.193 9.116 1.00 0.00 O ATOM 574 CB GLU A 41 -3.428 -2.792 10.478 1.00 0.00 C ATOM 575 CG GLU A 41 -4.558 -3.502 11.231 1.00 0.00 C ATOM 576 CD GLU A 41 -5.879 -2.770 10.983 1.00 0.00 C ATOM 577 OE1 GLU A 41 -5.831 -1.648 10.506 1.00 0.00 O ATOM 578 OE2 GLU A 41 -6.915 -3.345 11.273 1.00 0.00 O ATOM 0 H GLU A 41 -0.721 -3.131 9.172 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.913 -3.494 11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.375 -1.747 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.629 -2.802 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.636 -4.537 10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.339 -3.526 12.298 1.00 0.00 H new ATOM 585 N GLY A 42 -1.866 -5.886 11.109 1.00 0.00 N ATOM 586 CA GLY A 42 -1.922 -7.317 10.690 1.00 0.00 C ATOM 587 C GLY A 42 -0.956 -7.572 9.533 1.00 0.00 C ATOM 588 O GLY A 42 0.136 -7.041 9.489 1.00 0.00 O ATOM 0 H GLY A 42 -1.588 -5.731 12.078 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.667 -7.960 11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.937 -7.575 10.388 1.00 0.00 H new ATOM 592 N ALA A 43 -1.355 -8.395 8.599 1.00 0.00 N ATOM 593 CA ALA A 43 -0.476 -8.709 7.433 1.00 0.00 C ATOM 594 C ALA A 43 -0.705 -7.672 6.333 1.00 0.00 C ATOM 595 O ALA A 43 -0.479 -7.929 5.165 1.00 0.00 O ATOM 596 CB ALA A 43 -0.823 -10.101 6.895 1.00 0.00 C ATOM 0 H ALA A 43 -2.259 -8.867 8.594 1.00 0.00 H new ATOM 0 HA ALA A 43 0.568 -8.687 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.183 -10.332 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.667 -10.843 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.866 -10.120 6.580 1.00 0.00 H new ATOM 602 N PHE A 44 -1.154 -6.501 6.701 1.00 0.00 N ATOM 603 CA PHE A 44 -1.411 -5.426 5.694 1.00 0.00 C ATOM 604 C PHE A 44 -0.729 -4.138 6.153 1.00 0.00 C ATOM 605 O PHE A 44 -0.617 -3.873 7.333 1.00 0.00 O ATOM 606 CB PHE A 44 -2.919 -5.188 5.589 1.00 0.00 C ATOM 607 CG PHE A 44 -3.581 -6.418 5.023 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.710 -6.569 3.638 1.00 0.00 C ATOM 609 CD2 PHE A 44 -4.062 -7.412 5.885 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.324 -7.711 3.112 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.674 -8.556 5.359 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.804 -8.706 3.972 1.00 0.00 C ATOM 0 H PHE A 44 -1.356 -6.240 7.666 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.017 -5.726 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.332 -4.959 6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.119 -4.327 4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.335 -5.804 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.961 -7.296 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.428 -7.825 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.046 -9.323 6.022 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.275 -9.589 3.566 1.00 0.00 H new ATOM 622 N TYR A 45 -0.278 -3.334 5.228 1.00 0.00 N ATOM 623 CA TYR A 45 0.399 -2.050 5.595 1.00 0.00 C ATOM 624 C TYR A 45 -0.554 -0.882 5.356 1.00 0.00 C ATOM 625 O TYR A 45 -1.315 -0.865 4.410 1.00 0.00 O ATOM 626 CB TYR A 45 1.654 -1.861 4.737 1.00 0.00 C ATOM 627 CG TYR A 45 2.735 -2.805 5.213 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.283 -2.644 6.492 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.188 -3.838 4.382 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.281 -3.513 6.941 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.187 -4.707 4.833 1.00 0.00 C ATOM 632 CZ TYR A 45 4.733 -4.545 6.112 1.00 0.00 C ATOM 633 OH TYR A 45 5.719 -5.402 6.555 1.00 0.00 O ATOM 0 H TYR A 45 -0.349 -3.510 4.226 1.00 0.00 H new ATOM 0 HA TYR A 45 0.681 -2.084 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.424 -2.053 3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.001 -0.830 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.934 -1.847 7.132 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.767 -3.963 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.703 -3.388 7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.538 -5.504 4.194 1.00 0.00 H new ATOM 0 HH TYR A 45 5.916 -6.062 5.858 1.00 0.00 H new ATOM 643 N LYS A 46 -0.510 0.097 6.215 1.00 0.00 N ATOM 644 CA LYS A 46 -1.401 1.281 6.059 1.00 0.00 C ATOM 645 C LYS A 46 -0.664 2.343 5.243 1.00 0.00 C ATOM 646 O LYS A 46 0.450 2.710 5.560 1.00 0.00 O ATOM 647 CB LYS A 46 -1.720 1.838 7.448 1.00 0.00 C ATOM 648 CG LYS A 46 -2.706 3.004 7.334 1.00 0.00 C ATOM 649 CD LYS A 46 -2.959 3.610 8.721 1.00 0.00 C ATOM 650 CE LYS A 46 -3.816 2.669 9.576 1.00 0.00 C ATOM 651 NZ LYS A 46 -4.323 3.412 10.763 1.00 0.00 N ATOM 0 H LYS A 46 0.109 0.128 7.025 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.324 1.001 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.144 1.053 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.803 2.173 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.308 3.764 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.645 2.657 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.008 3.798 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.460 4.572 8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.650 2.284 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.226 1.809 9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.905 2.778 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.519 3.759 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.899 4.219 10.448 1.00 0.00 H new ATOM 665 N ILE A 47 -1.273 2.843 4.197 1.00 0.00 N ATOM 666 CA ILE A 47 -0.607 3.889 3.357 1.00 0.00 C ATOM 667 C ILE A 47 -1.563 5.062 3.156 1.00 0.00 C ATOM 668 O ILE A 47 -2.768 4.915 3.215 1.00 0.00 O ATOM 669 CB ILE A 47 -0.225 3.291 2.001 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.414 2.518 1.426 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.964 2.346 2.187 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.118 2.134 -0.024 1.00 0.00 C ATOM 0 H ILE A 47 -2.206 2.572 3.887 1.00 0.00 H new ATOM 0 HA ILE A 47 0.295 4.241 3.858 1.00 0.00 H new ATOM 0 HB ILE A 47 0.047 4.090 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.601 1.623 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.316 3.128 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.241 1.916 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.809 2.901 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.689 1.547 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.964 1.583 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.952 3.036 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.226 1.508 -0.060 1.00 0.00 H new ATOM 684 N GLU A 48 -1.031 6.228 2.926 1.00 0.00 N ATOM 685 CA GLU A 48 -1.902 7.420 2.730 1.00 0.00 C ATOM 686 C GLU A 48 -2.379 7.459 1.279 1.00 0.00 C ATOM 687 O GLU A 48 -1.605 7.692 0.371 1.00 0.00 O ATOM 688 CB GLU A 48 -1.094 8.683 3.042 1.00 0.00 C ATOM 689 CG GLU A 48 -2.004 9.913 2.996 1.00 0.00 C ATOM 690 CD GLU A 48 -2.977 9.879 4.176 1.00 0.00 C ATOM 691 OE1 GLU A 48 -2.806 9.030 5.035 1.00 0.00 O ATOM 692 OE2 GLU A 48 -3.874 10.705 4.201 1.00 0.00 O ATOM 0 H GLU A 48 -0.029 6.408 2.865 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.766 7.366 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.635 8.597 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.284 8.793 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.404 10.823 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.557 9.933 2.057 1.00 0.00 H new ATOM 699 N TYR A 49 -3.649 7.233 1.052 1.00 0.00 N ATOM 700 CA TYR A 49 -4.187 7.255 -0.344 1.00 0.00 C ATOM 701 C TYR A 49 -5.026 8.521 -0.548 1.00 0.00 C ATOM 702 O TYR A 49 -6.040 8.715 0.099 1.00 0.00 O ATOM 703 CB TYR A 49 -5.071 6.024 -0.560 1.00 0.00 C ATOM 704 CG TYR A 49 -5.578 6.019 -1.980 1.00 0.00 C ATOM 705 CD1 TYR A 49 -4.784 5.491 -3.004 1.00 0.00 C ATOM 706 CD2 TYR A 49 -6.843 6.539 -2.272 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.253 5.488 -4.322 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.313 6.537 -3.591 1.00 0.00 C ATOM 709 CZ TYR A 49 -6.518 6.009 -4.615 1.00 0.00 C ATOM 710 OH TYR A 49 -6.980 6.006 -5.915 1.00 0.00 O ATOM 0 H TYR A 49 -4.339 7.033 1.776 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.361 7.247 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.504 5.115 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.909 6.036 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.809 5.086 -2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.457 6.942 -1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.639 5.084 -5.113 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.288 6.942 -3.818 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.876 6.402 -5.945 1.00 0.00 H new ATOM 720 N LYS A 50 -4.615 9.376 -1.450 1.00 0.00 N ATOM 721 CA LYS A 50 -5.380 10.633 -1.715 1.00 0.00 C ATOM 722 C LYS A 50 -5.799 11.285 -0.390 1.00 0.00 C ATOM 723 O LYS A 50 -5.103 12.134 0.134 1.00 0.00 O ATOM 724 CB LYS A 50 -6.627 10.302 -2.544 1.00 0.00 C ATOM 725 CG LYS A 50 -6.250 9.541 -3.825 1.00 0.00 C ATOM 726 CD LYS A 50 -5.531 10.466 -4.813 1.00 0.00 C ATOM 727 CE LYS A 50 -5.307 9.722 -6.128 1.00 0.00 C ATOM 728 NZ LYS A 50 -4.687 10.650 -7.114 1.00 0.00 N ATOM 0 H LYS A 50 -3.776 9.256 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.747 11.329 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.315 9.701 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.150 11.222 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.607 8.696 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.148 9.133 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.124 11.364 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.577 10.790 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.661 8.859 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.254 9.344 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.532 10.149 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.320 11.460 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.776 10.990 -6.745 1.00 0.00 H new ATOM 742 N GLY A 51 -6.931 10.904 0.152 1.00 0.00 N ATOM 743 CA GLY A 51 -7.406 11.497 1.442 1.00 0.00 C ATOM 744 C GLY A 51 -7.636 10.376 2.460 1.00 0.00 C ATOM 745 O GLY A 51 -7.425 10.544 3.647 1.00 0.00 O ATOM 0 H GLY A 51 -7.552 10.201 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.670 12.205 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.329 12.053 1.282 1.00 0.00 H new ATOM 749 N SER A 52 -8.068 9.231 2.002 1.00 0.00 N ATOM 750 CA SER A 52 -8.319 8.092 2.934 1.00 0.00 C ATOM 751 C SER A 52 -7.044 7.262 3.094 1.00 0.00 C ATOM 752 O SER A 52 -6.084 7.435 2.370 1.00 0.00 O ATOM 753 CB SER A 52 -9.439 7.214 2.378 1.00 0.00 C ATOM 754 OG SER A 52 -9.171 6.919 1.013 1.00 0.00 O ATOM 0 H SER A 52 -8.259 9.035 1.019 1.00 0.00 H new ATOM 0 HA SER A 52 -8.615 8.482 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.513 6.291 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.397 7.725 2.470 1.00 0.00 H new ATOM 0 HG SER A 52 -9.887 6.354 0.654 1.00 0.00 H new ATOM 760 N HIS A 53 -7.035 6.357 4.036 1.00 0.00 N ATOM 761 CA HIS A 53 -5.832 5.498 4.254 1.00 0.00 C ATOM 762 C HIS A 53 -6.028 4.165 3.524 1.00 0.00 C ATOM 763 O HIS A 53 -6.915 3.396 3.837 1.00 0.00 O ATOM 764 CB HIS A 53 -5.664 5.250 5.756 1.00 0.00 C ATOM 765 CG HIS A 53 -5.285 6.544 6.422 1.00 0.00 C ATOM 766 ND1 HIS A 53 -6.223 7.378 7.011 1.00 0.00 N ATOM 767 CD2 HIS A 53 -4.074 7.168 6.584 1.00 0.00 C ATOM 768 CE1 HIS A 53 -5.566 8.449 7.494 1.00 0.00 C ATOM 769 NE2 HIS A 53 -4.252 8.371 7.261 1.00 0.00 N ATOM 0 H HIS A 53 -7.814 6.174 4.669 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.941 5.992 3.866 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.591 4.864 6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.896 4.497 5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.126 6.784 6.238 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.042 9.271 8.007 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.535 9.047 7.523 1.00 0.00 H new ATOM 777 N GLY A 54 -5.210 3.892 2.540 1.00 0.00 N ATOM 778 CA GLY A 54 -5.349 2.616 1.773 1.00 0.00 C ATOM 779 C GLY A 54 -4.587 1.493 2.482 1.00 0.00 C ATOM 780 O GLY A 54 -3.622 1.730 3.183 1.00 0.00 O ATOM 0 H GLY A 54 -4.450 4.499 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.402 2.350 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.964 2.746 0.762 1.00 0.00 H new ATOM 784 N TYR A 55 -5.015 0.271 2.291 1.00 0.00 N ATOM 785 CA TYR A 55 -4.335 -0.900 2.933 1.00 0.00 C ATOM 786 C TYR A 55 -3.853 -1.858 1.842 1.00 0.00 C ATOM 787 O TYR A 55 -4.545 -2.104 0.874 1.00 0.00 O ATOM 788 CB TYR A 55 -5.333 -1.623 3.835 1.00 0.00 C ATOM 789 CG TYR A 55 -5.712 -0.712 4.973 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.699 0.263 4.786 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.081 -0.842 6.215 1.00 0.00 C ATOM 792 CE1 TYR A 55 -7.051 1.110 5.840 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.433 0.006 7.269 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.419 0.982 7.082 1.00 0.00 C ATOM 795 OH TYR A 55 -6.771 1.816 8.122 1.00 0.00 O ATOM 0 H TYR A 55 -5.818 0.030 1.710 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.485 -0.559 3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.219 -1.905 3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.895 -2.544 4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.188 0.360 3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.322 -1.597 6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.811 1.864 5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.944 -0.092 8.227 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.569 1.378 8.975 1.00 0.00 H new ATOM 805 N VAL A 56 -2.670 -2.398 1.987 1.00 0.00 N ATOM 806 CA VAL A 56 -2.136 -3.342 0.955 1.00 0.00 C ATOM 807 C VAL A 56 -1.483 -4.538 1.647 1.00 0.00 C ATOM 808 O VAL A 56 -1.009 -4.445 2.760 1.00 0.00 O ATOM 809 CB VAL A 56 -1.105 -2.617 0.087 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.811 -1.555 -0.760 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.059 -1.943 0.981 1.00 0.00 C ATOM 0 H VAL A 56 -2.048 -2.226 2.777 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.952 -3.695 0.325 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.611 -3.337 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.078 -1.037 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.553 -2.034 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.305 -0.837 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.673 -1.428 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.550 -1.223 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.445 -2.698 1.585 1.00 0.00 H new ATOM 821 N ALA A 57 -1.464 -5.662 0.991 1.00 0.00 N ATOM 822 CA ALA A 57 -0.859 -6.884 1.597 1.00 0.00 C ATOM 823 C ALA A 57 0.670 -6.796 1.578 1.00 0.00 C ATOM 824 O ALA A 57 1.263 -6.234 0.677 1.00 0.00 O ATOM 825 CB ALA A 57 -1.303 -8.108 0.800 1.00 0.00 C ATOM 0 H ALA A 57 -1.844 -5.790 0.053 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.191 -6.966 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.865 -9.005 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.390 -8.185 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.972 -8.009 -0.234 1.00 0.00 H new ATOM 831 N LYS A 58 1.311 -7.364 2.566 1.00 0.00 N ATOM 832 CA LYS A 58 2.801 -7.337 2.609 1.00 0.00 C ATOM 833 C LYS A 58 3.359 -8.257 1.520 1.00 0.00 C ATOM 834 O LYS A 58 4.533 -8.222 1.198 1.00 0.00 O ATOM 835 CB LYS A 58 3.279 -7.820 3.984 1.00 0.00 C ATOM 836 CG LYS A 58 2.775 -9.242 4.237 1.00 0.00 C ATOM 837 CD LYS A 58 3.216 -9.693 5.632 1.00 0.00 C ATOM 838 CE LYS A 58 2.699 -11.108 5.906 1.00 0.00 C ATOM 839 NZ LYS A 58 3.578 -12.098 5.219 1.00 0.00 N ATOM 0 H LYS A 58 0.865 -7.846 3.346 1.00 0.00 H new ATOM 0 HA LYS A 58 3.153 -6.320 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.368 -7.797 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.913 -7.151 4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.688 -9.275 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.170 -9.920 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.303 -9.673 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.834 -9.004 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.685 -11.301 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.673 -11.208 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.228 -13.060 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.570 -11.918 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.550 -12.008 5.579 1.00 0.00 H new ATOM 853 N GLU A 59 2.524 -9.092 0.962 1.00 0.00 N ATOM 854 CA GLU A 59 2.993 -10.034 -0.095 1.00 0.00 C ATOM 855 C GLU A 59 3.434 -9.259 -1.339 1.00 0.00 C ATOM 856 O GLU A 59 4.387 -9.623 -1.999 1.00 0.00 O ATOM 857 CB GLU A 59 1.850 -10.977 -0.469 1.00 0.00 C ATOM 858 CG GLU A 59 1.546 -11.901 0.706 1.00 0.00 C ATOM 859 CD GLU A 59 0.338 -12.771 0.366 1.00 0.00 C ATOM 860 OE1 GLU A 59 -0.194 -12.611 -0.721 1.00 0.00 O ATOM 861 OE2 GLU A 59 -0.040 -13.582 1.196 1.00 0.00 O ATOM 0 H GLU A 59 1.533 -9.162 1.194 1.00 0.00 H new ATOM 0 HA GLU A 59 3.840 -10.604 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.962 -10.402 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.121 -11.564 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.411 -12.528 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.345 -11.314 1.602 1.00 0.00 H new ATOM 868 N TYR A 60 2.739 -8.204 -1.676 1.00 0.00 N ATOM 869 CA TYR A 60 3.111 -7.420 -2.894 1.00 0.00 C ATOM 870 C TYR A 60 3.974 -6.215 -2.510 1.00 0.00 C ATOM 871 O TYR A 60 4.491 -5.520 -3.363 1.00 0.00 O ATOM 872 CB TYR A 60 1.833 -6.921 -3.568 1.00 0.00 C ATOM 873 CG TYR A 60 0.973 -8.105 -3.945 1.00 0.00 C ATOM 874 CD1 TYR A 60 1.367 -8.955 -4.986 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.217 -8.356 -3.250 1.00 0.00 C ATOM 876 CE1 TYR A 60 0.573 -10.055 -5.331 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.010 -9.457 -3.593 1.00 0.00 C ATOM 878 CZ TYR A 60 -0.616 -10.305 -4.635 1.00 0.00 C ATOM 879 OH TYR A 60 -1.397 -11.392 -4.973 1.00 0.00 O ATOM 0 H TYR A 60 1.931 -7.851 -1.163 1.00 0.00 H new ATOM 0 HA TYR A 60 3.677 -8.060 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.287 -6.260 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.080 -6.339 -4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.284 -8.762 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.523 -7.699 -2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.877 -10.711 -6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.925 -9.652 -3.054 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.186 -11.421 -4.392 1.00 0.00 H new ATOM 889 N ILE A 61 4.128 -5.957 -1.234 1.00 0.00 N ATOM 890 CA ILE A 61 4.950 -4.787 -0.780 1.00 0.00 C ATOM 891 C ILE A 61 6.260 -5.305 -0.172 1.00 0.00 C ATOM 892 O ILE A 61 6.262 -6.169 0.681 1.00 0.00 O ATOM 893 CB ILE A 61 4.147 -3.983 0.270 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.198 -3.008 -0.441 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.091 -3.181 1.183 1.00 0.00 C ATOM 896 CD1 ILE A 61 2.325 -3.759 -1.449 1.00 0.00 C ATOM 0 H ILE A 61 3.718 -6.509 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 61 5.182 -4.135 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 61 3.578 -4.687 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.568 -2.503 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.774 -2.236 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.504 -2.624 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.762 -3.865 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.676 -2.486 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.657 -3.056 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.960 -4.243 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.736 -4.514 -0.929 1.00 0.00 H new ATOM 908 N LYS A 62 7.377 -4.781 -0.609 1.00 0.00 N ATOM 909 CA LYS A 62 8.689 -5.239 -0.059 1.00 0.00 C ATOM 910 C LYS A 62 9.667 -4.064 -0.012 1.00 0.00 C ATOM 911 O LYS A 62 9.332 -2.948 -0.364 1.00 0.00 O ATOM 912 CB LYS A 62 9.255 -6.354 -0.942 1.00 0.00 C ATOM 913 CG LYS A 62 9.594 -5.809 -2.333 1.00 0.00 C ATOM 914 CD LYS A 62 10.067 -6.960 -3.218 1.00 0.00 C ATOM 915 CE LYS A 62 10.657 -6.397 -4.512 1.00 0.00 C ATOM 916 NZ LYS A 62 9.581 -5.735 -5.301 1.00 0.00 N ATOM 0 H LYS A 62 7.437 -4.055 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 62 8.544 -5.622 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.149 -6.774 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.530 -7.163 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.719 -5.331 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.370 -5.047 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.815 -7.554 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.234 -7.625 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.447 -5.682 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.111 -7.198 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.856 -5.701 -6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.697 -6.274 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.438 -4.767 -4.949 1.00 0.00 H new ATOM 930 N ASP A 63 10.874 -4.311 0.426 1.00 0.00 N ATOM 931 CA ASP A 63 11.889 -3.224 0.507 1.00 0.00 C ATOM 932 C ASP A 63 11.390 -2.134 1.456 1.00 0.00 C ATOM 933 O ASP A 63 11.453 -0.957 1.158 1.00 0.00 O ATOM 934 CB ASP A 63 12.132 -2.625 -0.883 1.00 0.00 C ATOM 935 CG ASP A 63 13.400 -1.767 -0.860 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.160 -1.886 0.088 1.00 0.00 O ATOM 937 OD2 ASP A 63 13.592 -1.004 -1.793 1.00 0.00 O ATOM 0 H ASP A 63 11.201 -5.227 0.733 1.00 0.00 H new ATOM 0 HA ASP A 63 12.826 -3.636 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.233 -3.421 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.277 -2.020 -1.183 1.00 0.00 H new ATOM 942 N ILE A 64 10.899 -2.516 2.602 1.00 0.00 N ATOM 943 CA ILE A 64 10.401 -1.508 3.579 1.00 0.00 C ATOM 944 C ILE A 64 11.597 -0.830 4.249 1.00 0.00 C ATOM 945 O ILE A 64 12.517 -1.482 4.700 1.00 0.00 O ATOM 946 CB ILE A 64 9.543 -2.206 4.630 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.291 -2.766 3.956 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.143 -1.208 5.717 1.00 0.00 C ATOM 949 CD1 ILE A 64 7.550 -3.682 4.930 1.00 0.00 C ATOM 0 H ILE A 64 10.821 -3.487 2.905 1.00 0.00 H new ATOM 0 HA ILE A 64 9.799 -0.757 3.067 1.00 0.00 H new ATOM 0 HB ILE A 64 10.109 -3.018 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.640 -1.951 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.566 -3.319 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.530 -1.711 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.039 -0.808 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.574 -0.393 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.657 -4.080 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.202 -4.505 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.261 -3.115 5.815 1.00 0.00 H new ATOM 961 N LYS A 65 11.595 0.478 4.305 1.00 0.00 N ATOM 962 CA LYS A 65 12.738 1.221 4.929 1.00 0.00 C ATOM 963 C LYS A 65 12.315 1.800 6.280 1.00 0.00 C ATOM 964 O LYS A 65 11.183 2.199 6.475 1.00 0.00 O ATOM 965 CB LYS A 65 13.154 2.362 4.004 1.00 0.00 C ATOM 966 CG LYS A 65 13.749 1.781 2.721 1.00 0.00 C ATOM 967 CD LYS A 65 14.087 2.918 1.751 1.00 0.00 C ATOM 968 CE LYS A 65 15.190 3.811 2.345 1.00 0.00 C ATOM 969 NZ LYS A 65 14.566 4.873 3.184 1.00 0.00 N ATOM 0 H LYS A 65 10.847 1.069 3.943 1.00 0.00 H new ATOM 0 HA LYS A 65 13.572 0.535 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.293 2.987 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.885 3.000 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.647 1.207 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.041 1.093 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.416 2.506 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.196 3.513 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.874 3.212 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.778 4.262 1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.846 5.808 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.531 4.783 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.885 4.770 4.168 1.00 0.00 H new ATOM 983 N ASP A 66 13.227 1.852 7.210 1.00 0.00 N ATOM 984 CA ASP A 66 12.907 2.406 8.557 1.00 0.00 C ATOM 985 C ASP A 66 12.766 3.927 8.478 1.00 0.00 C ATOM 986 O ASP A 66 13.394 4.582 7.665 1.00 0.00 O ATOM 987 CB ASP A 66 14.031 2.047 9.524 1.00 0.00 C ATOM 988 CG ASP A 66 13.980 0.550 9.836 1.00 0.00 C ATOM 989 OD1 ASP A 66 12.955 -0.056 9.567 1.00 0.00 O ATOM 990 OD2 ASP A 66 14.965 0.037 10.338 1.00 0.00 O ATOM 0 H ASP A 66 14.189 1.532 7.094 1.00 0.00 H new ATOM 0 HA ASP A 66 11.966 1.982 8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.996 2.305 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.932 2.624 10.443 1.00 0.00 H new ATOM 995 N GLU A 67 11.942 4.492 9.318 1.00 0.00 N ATOM 996 CA GLU A 67 11.746 5.970 9.304 1.00 0.00 C ATOM 997 C GLU A 67 13.077 6.672 9.597 1.00 0.00 C ATOM 998 O GLU A 67 13.758 7.135 8.701 1.00 0.00 O ATOM 999 CB GLU A 67 10.713 6.352 10.371 1.00 0.00 C ATOM 1000 CG GLU A 67 10.372 7.839 10.260 1.00 0.00 C ATOM 1001 CD GLU A 67 9.575 8.080 8.976 1.00 0.00 C ATOM 1002 OE1 GLU A 67 9.004 7.127 8.470 1.00 0.00 O ATOM 1003 OE2 GLU A 67 9.551 9.212 8.519 1.00 0.00 O ATOM 0 H GLU A 67 11.393 3.991 10.017 1.00 0.00 H new ATOM 0 HA GLU A 67 11.389 6.281 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.811 5.753 10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.106 6.134 11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.792 8.157 11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.285 8.434 10.252 1.00 0.00 H new ATOM 1010 N VAL A 68 13.446 6.769 10.846 1.00 0.00 N ATOM 1011 CA VAL A 68 14.722 7.455 11.204 1.00 0.00 C ATOM 1012 C VAL A 68 15.898 6.485 11.080 1.00 0.00 C ATOM 1013 O VAL A 68 15.855 5.366 11.554 1.00 0.00 O ATOM 1014 CB VAL A 68 14.630 7.972 12.640 1.00 0.00 C ATOM 1015 CG1 VAL A 68 13.466 8.959 12.741 1.00 0.00 C ATOM 1016 CG2 VAL A 68 14.388 6.800 13.596 1.00 0.00 C ATOM 0 H VAL A 68 12.917 6.401 11.637 1.00 0.00 H new ATOM 0 HA VAL A 68 14.884 8.289 10.522 1.00 0.00 H new ATOM 0 HB VAL A 68 15.562 8.469 12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.393 9.333 13.762 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.636 9.793 12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.538 8.455 12.472 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.323 7.172 14.619 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.456 6.301 13.331 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.213 6.092 13.519 1.00 0.00 H new ATOM 1026 N LEU A 69 16.953 6.916 10.441 1.00 0.00 N ATOM 1027 CA LEU A 69 18.148 6.042 10.272 1.00 0.00 C ATOM 1028 C LEU A 69 19.079 6.213 11.476 1.00 0.00 C ATOM 1029 O LEU A 69 20.104 5.568 11.579 1.00 0.00 O ATOM 1030 CB LEU A 69 18.891 6.450 8.990 1.00 0.00 C ATOM 1031 CG LEU A 69 18.197 5.838 7.769 1.00 0.00 C ATOM 1032 CD1 LEU A 69 16.717 6.228 7.764 1.00 0.00 C ATOM 1033 CD2 LEU A 69 18.860 6.366 6.496 1.00 0.00 C ATOM 0 H LEU A 69 17.038 7.844 10.026 1.00 0.00 H new ATOM 0 HA LEU A 69 17.835 5.000 10.201 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.912 7.536 8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 69 19.927 6.114 9.037 1.00 0.00 H new ATOM 0 HG LEU A 69 18.284 4.752 7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.228 5.790 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 69 16.240 5.859 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.627 7.313 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 18.370 5.933 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.769 7.452 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.914 6.090 6.494 1.00 0.00 H new ATOM 1045 N GLU A 70 18.730 7.080 12.386 1.00 0.00 N ATOM 1046 CA GLU A 70 19.597 7.298 13.580 1.00 0.00 C ATOM 1047 C GLU A 70 19.414 6.152 14.575 1.00 0.00 C ATOM 1048 O GLU A 70 18.310 5.735 14.869 1.00 0.00 O ATOM 1049 CB GLU A 70 19.219 8.620 14.247 1.00 0.00 C ATOM 1050 CG GLU A 70 19.611 9.778 13.329 1.00 0.00 C ATOM 1051 CD GLU A 70 19.150 11.099 13.946 1.00 0.00 C ATOM 1052 OE1 GLU A 70 18.580 11.062 15.022 1.00 0.00 O ATOM 1053 OE2 GLU A 70 19.378 12.128 13.330 1.00 0.00 O ATOM 0 H GLU A 70 17.883 7.647 12.355 1.00 0.00 H new ATOM 0 HA GLU A 70 20.640 7.332 13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.148 8.646 14.448 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.726 8.714 15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.691 9.790 13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.158 9.646 12.346 1.00 0.00 H new ATOM 1060 N HIS A 71 20.497 5.647 15.100 1.00 0.00 N ATOM 1061 CA HIS A 71 20.426 4.528 16.092 1.00 0.00 C ATOM 1062 C HIS A 71 20.700 5.082 17.491 1.00 0.00 C ATOM 1063 O HIS A 71 20.943 4.344 18.429 1.00 0.00 O ATOM 1064 CB HIS A 71 21.481 3.475 15.745 1.00 0.00 C ATOM 1065 CG HIS A 71 21.148 2.863 14.413 1.00 0.00 C ATOM 1066 ND1 HIS A 71 20.036 2.056 14.228 1.00 0.00 N ATOM 1067 CD2 HIS A 71 21.767 2.933 13.191 1.00 0.00 C ATOM 1068 CE1 HIS A 71 20.020 1.677 12.937 1.00 0.00 C ATOM 1069 NE2 HIS A 71 21.054 2.185 12.260 1.00 0.00 N ATOM 0 H HIS A 71 21.442 5.964 14.883 1.00 0.00 H new ATOM 0 HA HIS A 71 19.436 4.072 16.065 1.00 0.00 H new ATOM 0 HB2 HIS A 71 22.470 3.931 15.712 1.00 0.00 H new ATOM 0 HB3 HIS A 71 21.511 2.705 16.516 1.00 0.00 H new ATOM 0 HD2 HIS A 71 22.671 3.485 12.983 1.00 0.00 H new ATOM 0 HE1 HIS A 71 19.264 1.040 12.501 1.00 0.00 H new ATOM 0 HE2 HIS A 71 21.273 2.053 11.273 1.00 0.00 H new ATOM 1077 N HIS A 72 20.668 6.381 17.628 1.00 0.00 N ATOM 1078 CA HIS A 72 20.932 7.014 18.953 1.00 0.00 C ATOM 1079 C HIS A 72 22.279 6.543 19.495 1.00 0.00 C ATOM 1080 O HIS A 72 22.663 6.870 20.603 1.00 0.00 O ATOM 1081 CB HIS A 72 19.825 6.638 19.941 1.00 0.00 C ATOM 1082 CG HIS A 72 18.514 7.181 19.448 1.00 0.00 C ATOM 1083 ND1 HIS A 72 18.180 8.521 19.566 1.00 0.00 N ATOM 1084 CD2 HIS A 72 17.449 6.582 18.824 1.00 0.00 C ATOM 1085 CE1 HIS A 72 16.960 8.683 19.025 1.00 0.00 C ATOM 1086 NE2 HIS A 72 16.468 7.532 18.559 1.00 0.00 N ATOM 0 H HIS A 72 20.469 7.036 16.872 1.00 0.00 H new ATOM 0 HA HIS A 72 20.952 8.097 18.829 1.00 0.00 H new ATOM 0 HB2 HIS A 72 19.767 5.555 20.045 1.00 0.00 H new ATOM 0 HB3 HIS A 72 20.051 7.041 20.928 1.00 0.00 H new ATOM 0 HD2 HIS A 72 17.382 5.533 18.576 1.00 0.00 H new ATOM 0 HE1 HIS A 72 16.441 9.629 18.973 1.00 0.00 H new ATOM 0 HE2 HIS A 72 15.567 7.382 18.106 1.00 0.00 H new ATOM 1094 N HIS A 73 23.007 5.781 18.722 1.00 0.00 N ATOM 1095 CA HIS A 73 24.340 5.291 19.186 1.00 0.00 C ATOM 1096 C HIS A 73 25.319 5.291 18.010 1.00 0.00 C ATOM 1097 O HIS A 73 25.144 4.577 17.042 1.00 0.00 O ATOM 1098 CB HIS A 73 24.203 3.868 19.729 1.00 0.00 C ATOM 1099 CG HIS A 73 25.499 3.451 20.364 1.00 0.00 C ATOM 1100 ND1 HIS A 73 26.530 2.884 19.632 1.00 0.00 N ATOM 1101 CD2 HIS A 73 25.951 3.516 21.658 1.00 0.00 C ATOM 1102 CE1 HIS A 73 27.542 2.634 20.481 1.00 0.00 C ATOM 1103 NE2 HIS A 73 27.242 2.999 21.731 1.00 0.00 N ATOM 0 H HIS A 73 22.736 5.476 17.787 1.00 0.00 H new ATOM 0 HA HIS A 73 24.712 5.946 19.974 1.00 0.00 H new ATOM 0 HB2 HIS A 73 23.395 3.822 20.460 1.00 0.00 H new ATOM 0 HB3 HIS A 73 23.943 3.182 18.923 1.00 0.00 H new ATOM 0 HD2 HIS A 73 25.390 3.909 22.493 1.00 0.00 H new ATOM 0 HE1 HIS A 73 28.483 2.192 20.188 1.00 0.00 H new ATOM 0 HE2 HIS A 73 27.831 2.917 22.560 1.00 0.00 H new ATOM 1111 N HIS A 74 26.351 6.082 18.088 1.00 0.00 N ATOM 1112 CA HIS A 74 27.345 6.123 16.977 1.00 0.00 C ATOM 1113 C HIS A 74 28.595 6.864 17.453 1.00 0.00 C ATOM 1114 O HIS A 74 28.744 8.054 17.253 1.00 0.00 O ATOM 1115 CB HIS A 74 26.746 6.846 15.770 1.00 0.00 C ATOM 1116 CG HIS A 74 27.713 6.778 14.618 1.00 0.00 C ATOM 1117 ND1 HIS A 74 28.010 5.587 13.972 1.00 0.00 N ATOM 1118 CD2 HIS A 74 28.462 7.742 13.989 1.00 0.00 C ATOM 1119 CE1 HIS A 74 28.904 5.863 13.004 1.00 0.00 C ATOM 1120 NE2 HIS A 74 29.214 7.162 12.971 1.00 0.00 N ATOM 0 H HIS A 74 26.551 6.703 18.872 1.00 0.00 H new ATOM 0 HA HIS A 74 27.608 5.106 16.685 1.00 0.00 H new ATOM 0 HB2 HIS A 74 25.797 6.387 15.491 1.00 0.00 H new ATOM 0 HB3 HIS A 74 26.535 7.885 16.022 1.00 0.00 H new ATOM 0 HD2 HIS A 74 28.467 8.791 14.245 1.00 0.00 H new ATOM 0 HE1 HIS A 74 29.320 5.124 12.335 1.00 0.00 H new ATOM 0 HE2 HIS A 74 29.862 7.629 12.336 1.00 0.00 H new ATOM 1128 N HIS A 75 29.488 6.164 18.093 1.00 0.00 N ATOM 1129 CA HIS A 75 30.731 6.811 18.602 1.00 0.00 C ATOM 1130 C HIS A 75 31.591 7.287 17.428 1.00 0.00 C ATOM 1131 O HIS A 75 32.139 8.374 17.445 1.00 0.00 O ATOM 1132 CB HIS A 75 31.516 5.791 19.427 1.00 0.00 C ATOM 1133 CG HIS A 75 32.732 6.443 20.020 1.00 0.00 C ATOM 1134 ND1 HIS A 75 33.909 6.599 19.305 1.00 0.00 N ATOM 1135 CD2 HIS A 75 32.974 6.974 21.263 1.00 0.00 C ATOM 1136 CE1 HIS A 75 34.799 7.200 20.116 1.00 0.00 C ATOM 1137 NE2 HIS A 75 34.280 7.452 21.322 1.00 0.00 N ATOM 0 H HIS A 75 29.411 5.166 18.287 1.00 0.00 H new ATOM 0 HA HIS A 75 30.469 7.670 19.220 1.00 0.00 H new ATOM 0 HB2 HIS A 75 30.885 5.388 20.219 1.00 0.00 H new ATOM 0 HB3 HIS A 75 31.813 4.952 18.798 1.00 0.00 H new ATOM 0 HD2 HIS A 75 32.260 7.015 22.072 1.00 0.00 H new ATOM 0 HE1 HIS A 75 35.810 7.449 19.828 1.00 0.00 H new ATOM 0 HE2 HIS A 75 34.742 7.898 22.115 1.00 0.00 H new ATOM 1145 N HIS A 76 31.716 6.477 16.416 1.00 0.00 N ATOM 1146 CA HIS A 76 32.542 6.863 15.236 1.00 0.00 C ATOM 1147 C HIS A 76 32.042 8.190 14.662 1.00 0.00 C ATOM 1148 O HIS A 76 32.334 9.218 15.253 1.00 0.00 O ATOM 1149 CB HIS A 76 32.426 5.772 14.174 1.00 0.00 C ATOM 1150 CG HIS A 76 33.401 6.038 13.063 1.00 0.00 C ATOM 1151 ND1 HIS A 76 33.111 6.894 12.014 1.00 0.00 N ATOM 1152 CD2 HIS A 76 34.664 5.558 12.816 1.00 0.00 C ATOM 1153 CE1 HIS A 76 34.174 6.904 11.190 1.00 0.00 C ATOM 1154 NE2 HIS A 76 35.151 6.106 11.632 1.00 0.00 N ATOM 1155 OXT HIS A 76 31.379 8.156 13.641 1.00 0.00 O ATOM 0 H HIS A 76 31.279 5.557 16.354 1.00 0.00 H new ATOM 0 HA HIS A 76 33.582 6.978 15.540 1.00 0.00 H new ATOM 0 HB2 HIS A 76 32.624 4.797 14.618 1.00 0.00 H new ATOM 0 HB3 HIS A 76 31.410 5.742 13.780 1.00 0.00 H new ATOM 0 HD1 HIS A 76 32.247 7.422 11.889 1.00 0.00 H new ATOM 0 HD2 HIS A 76 35.198 4.861 13.445 1.00 0.00 H new ATOM 0 HE1 HIS A 76 34.231 7.486 10.282 1.00 0.00 H new TER 1163 HIS A 76