USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.083) USER MOD Set 2.1: A 16 ASN : amide:sc= -2.67 K(o=-5.3,f=-6.9!) USER MOD Set 2.2: A 63 MET CE :methyl -157:sc= -2.6 (180deg=-2.66!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot -35:sc= 0.0165 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.593 (180deg=-0.865) USER MOD Single : A 15 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.37) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.3 F(o=-2.6!,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= -0.102 (180deg=-0.578) USER MOD Single : A 26 HIS : no HD1:sc= -7.34! C(o=-7.3!,f=-7.5!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 28 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.5) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 81:sc= 1.13 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.679 F(o=-1.4,f=-0.68) USER MOD Single : A 39 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.093) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.42 F(o=-2.3,f=-1.4) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 49 MET CE :methyl -121:sc= -0.341 (180deg=-1.86!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= -0.202 (180deg=-1.21) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.021) USER MOD Single : A 62 SER OG : rot -58:sc= -0.15 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -134:sc= 0 (180deg=-1.01) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.831 -4.896 8.377 1.00 0.00 N ATOM 41 CA HIS A 3 -11.173 -5.857 9.254 1.00 0.00 C ATOM 42 C HIS A 3 -9.847 -6.317 8.662 1.00 0.00 C ATOM 43 O HIS A 3 -8.778 -5.940 9.136 1.00 0.00 O ATOM 44 CB HIS A 3 -12.082 -7.063 9.496 1.00 0.00 C ATOM 45 CG HIS A 3 -13.295 -6.746 10.313 1.00 0.00 C ATOM 46 ND1 HIS A 3 -13.290 -6.720 11.692 1.00 0.00 N ATOM 47 CD2 HIS A 3 -14.561 -6.438 9.939 1.00 0.00 C ATOM 48 CE1 HIS A 3 -14.497 -6.412 12.131 1.00 0.00 C ATOM 49 NE2 HIS A 3 -15.287 -6.235 11.087 1.00 0.00 N ATOM 0 HA HIS A 3 -10.973 -5.364 10.205 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.398 -7.468 8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.510 -7.843 9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.930 -6.366 8.927 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.788 -6.320 13.167 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.276 -5.988 11.127 1.00 0.00 H new ATOM 58 N GLU A 4 -9.930 -7.136 7.624 1.00 0.00 N ATOM 59 CA GLU A 4 -8.742 -7.660 6.957 1.00 0.00 C ATOM 60 C GLU A 4 -8.078 -6.602 6.072 1.00 0.00 C ATOM 61 O GLU A 4 -7.018 -6.832 5.497 1.00 0.00 O ATOM 62 CB GLU A 4 -9.105 -8.884 6.116 1.00 0.00 C ATOM 63 CG GLU A 4 -10.051 -8.574 4.968 1.00 0.00 C ATOM 64 CD GLU A 4 -10.788 -9.801 4.470 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.575 -10.378 5.249 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.578 -10.186 3.300 1.00 0.00 O ATOM 0 H GLU A 4 -10.812 -7.455 7.222 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.030 -7.948 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.191 -9.323 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.563 -9.635 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.775 -7.826 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.486 -8.136 4.145 1.00 0.00 H new ATOM 73 N PHE A 5 -8.703 -5.444 5.964 1.00 0.00 N ATOM 74 CA PHE A 5 -8.165 -4.364 5.156 1.00 0.00 C ATOM 75 C PHE A 5 -7.281 -3.460 5.997 1.00 0.00 C ATOM 76 O PHE A 5 -6.363 -2.821 5.493 1.00 0.00 O ATOM 77 CB PHE A 5 -9.293 -3.559 4.523 1.00 0.00 C ATOM 78 CG PHE A 5 -9.654 -4.015 3.138 1.00 0.00 C ATOM 79 CD1 PHE A 5 -10.466 -5.122 2.949 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.181 -3.338 2.026 1.00 0.00 C ATOM 81 CE1 PHE A 5 -10.800 -5.545 1.677 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.512 -3.756 0.751 1.00 0.00 C ATOM 83 CZ PHE A 5 -10.323 -4.861 0.577 1.00 0.00 C ATOM 0 H PHE A 5 -9.586 -5.227 6.427 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.560 -4.799 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -10.176 -3.624 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.003 -2.509 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.842 -5.660 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.546 -2.474 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -11.433 -6.410 1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.137 -3.220 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.583 -5.189 -0.418 1.00 0.00 H new ATOM 93 N ARG A 6 -7.562 -3.416 7.286 1.00 0.00 N ATOM 94 CA ARG A 6 -6.783 -2.605 8.201 1.00 0.00 C ATOM 95 C ARG A 6 -6.021 -3.504 9.155 1.00 0.00 C ATOM 96 O ARG A 6 -4.935 -3.158 9.618 1.00 0.00 O ATOM 97 CB ARG A 6 -7.684 -1.638 8.973 1.00 0.00 C ATOM 98 CG ARG A 6 -6.957 -0.852 10.052 1.00 0.00 C ATOM 99 CD ARG A 6 -7.040 -1.552 11.400 1.00 0.00 C ATOM 100 NE ARG A 6 -6.584 -0.696 12.491 1.00 0.00 N ATOM 101 CZ ARG A 6 -6.878 -0.907 13.772 1.00 0.00 C ATOM 102 NH1 ARG A 6 -7.627 -1.944 14.125 1.00 0.00 N ATOM 103 NH2 ARG A 6 -6.421 -0.079 14.701 1.00 0.00 N ATOM 0 H ARG A 6 -8.325 -3.933 7.723 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.071 -2.011 7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.137 -0.939 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.497 -2.201 9.432 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.912 -0.725 9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.389 0.146 10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.069 -1.859 11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.436 -2.459 11.375 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.006 0.111 12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.980 -2.584 13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.849 -2.101 15.108 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.845 0.719 14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.646 -0.240 15.683 1.00 0.00 H new ATOM 117 N ASP A 7 -6.588 -4.671 9.435 1.00 0.00 N ATOM 118 CA ASP A 7 -5.943 -5.620 10.318 1.00 0.00 C ATOM 119 C ASP A 7 -5.054 -6.560 9.523 1.00 0.00 C ATOM 120 O ASP A 7 -4.022 -7.006 10.018 1.00 0.00 O ATOM 121 CB ASP A 7 -6.976 -6.410 11.124 1.00 0.00 C ATOM 122 CG ASP A 7 -8.040 -5.518 11.734 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.682 -4.447 12.267 1.00 0.00 O ATOM 124 OD2 ASP A 7 -9.231 -5.891 11.680 1.00 0.00 O ATOM 0 H ASP A 7 -7.487 -4.977 9.064 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.323 -5.064 11.021 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.451 -7.147 10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.470 -6.961 11.917 1.00 0.00 H new ATOM 129 N GLU A 8 -5.433 -6.845 8.279 1.00 0.00 N ATOM 130 CA GLU A 8 -4.610 -7.713 7.451 1.00 0.00 C ATOM 131 C GLU A 8 -3.614 -6.876 6.669 1.00 0.00 C ATOM 132 O GLU A 8 -2.522 -7.338 6.347 1.00 0.00 O ATOM 133 CB GLU A 8 -5.450 -8.572 6.508 1.00 0.00 C ATOM 134 CG GLU A 8 -5.057 -10.040 6.511 1.00 0.00 C ATOM 135 CD GLU A 8 -6.221 -10.954 6.180 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.644 -10.974 5.006 1.00 0.00 O ATOM 137 OE2 GLU A 8 -6.707 -11.652 7.095 1.00 0.00 O ATOM 0 H GLU A 8 -6.282 -6.497 7.834 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.073 -8.397 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.500 -8.485 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.357 -8.182 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.257 -10.200 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.659 -10.304 7.491 1.00 0.00 H new ATOM 144 N ILE A 9 -3.983 -5.632 6.369 1.00 0.00 N ATOM 145 CA ILE A 9 -3.076 -4.763 5.637 1.00 0.00 C ATOM 146 C ILE A 9 -2.080 -4.098 6.576 1.00 0.00 C ATOM 147 O ILE A 9 -0.960 -3.785 6.176 1.00 0.00 O ATOM 148 CB ILE A 9 -3.820 -3.674 4.838 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.828 -4.305 3.872 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.825 -2.804 4.079 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.550 -3.298 2.998 1.00 0.00 C ATOM 0 H ILE A 9 -4.881 -5.215 6.616 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.546 -5.402 4.931 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.369 -3.045 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.308 -5.019 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.564 -4.868 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.363 -2.039 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.146 -2.326 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.253 -3.424 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.246 -3.819 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.100 -2.598 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.824 -2.752 2.396 1.00 0.00 H new ATOM 163 N SER A 10 -2.484 -3.860 7.819 1.00 0.00 N ATOM 164 CA SER A 10 -1.594 -3.207 8.766 1.00 0.00 C ATOM 165 C SER A 10 -0.766 -4.197 9.581 1.00 0.00 C ATOM 166 O SER A 10 0.253 -3.824 10.156 1.00 0.00 O ATOM 167 CB SER A 10 -2.381 -2.288 9.699 1.00 0.00 C ATOM 168 OG SER A 10 -1.529 -1.345 10.325 1.00 0.00 O ATOM 0 H SER A 10 -3.403 -4.104 8.187 1.00 0.00 H new ATOM 0 HA SER A 10 -0.895 -2.614 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.153 -1.766 9.134 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.889 -2.884 10.458 1.00 0.00 H new ATOM 0 HG SER A 10 -0.660 -1.760 10.508 1.00 0.00 H new ATOM 174 N VAL A 11 -1.202 -5.449 9.652 1.00 0.00 N ATOM 175 CA VAL A 11 -0.468 -6.443 10.430 1.00 0.00 C ATOM 176 C VAL A 11 0.572 -7.173 9.589 1.00 0.00 C ATOM 177 O VAL A 11 1.655 -7.498 10.075 1.00 0.00 O ATOM 178 CB VAL A 11 -1.416 -7.470 11.089 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.628 -8.574 11.781 1.00 0.00 C ATOM 180 CG2 VAL A 11 -2.344 -6.777 12.075 1.00 0.00 C ATOM 0 H VAL A 11 -2.043 -5.797 9.191 1.00 0.00 H new ATOM 0 HA VAL A 11 0.049 -5.891 11.215 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.020 -7.928 10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.319 -9.283 12.237 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.007 -9.091 11.050 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.007 -8.139 12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.006 -7.513 12.531 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.753 -6.291 12.851 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.939 -6.030 11.551 1.00 0.00 H new ATOM 190 N LEU A 12 0.242 -7.436 8.335 1.00 0.00 N ATOM 191 CA LEU A 12 1.158 -8.138 7.445 1.00 0.00 C ATOM 192 C LEU A 12 2.057 -7.172 6.699 1.00 0.00 C ATOM 193 O LEU A 12 3.255 -7.404 6.567 1.00 0.00 O ATOM 194 CB LEU A 12 0.390 -8.989 6.436 1.00 0.00 C ATOM 195 CG LEU A 12 -0.936 -9.550 6.939 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.757 -10.101 5.782 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.696 -10.625 7.988 1.00 0.00 C ATOM 0 H LEU A 12 -0.648 -7.176 7.910 1.00 0.00 H new ATOM 0 HA LEU A 12 1.777 -8.784 8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.198 -8.387 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.024 -9.820 6.127 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.500 -8.740 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.699 -10.497 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.959 -9.303 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.201 -10.898 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.653 -11.014 8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.112 -11.435 7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.151 -10.197 8.829 1.00 0.00 H new ATOM 209 N LYS A 13 1.470 -6.096 6.198 1.00 0.00 N ATOM 210 CA LYS A 13 2.231 -5.111 5.441 1.00 0.00 C ATOM 211 C LYS A 13 3.125 -4.275 6.348 1.00 0.00 C ATOM 212 O LYS A 13 4.189 -3.817 5.931 1.00 0.00 O ATOM 213 CB LYS A 13 1.297 -4.213 4.633 1.00 0.00 C ATOM 214 CG LYS A 13 1.672 -4.120 3.163 1.00 0.00 C ATOM 215 CD LYS A 13 3.122 -3.702 2.976 1.00 0.00 C ATOM 216 CE LYS A 13 4.004 -4.887 2.618 1.00 0.00 C ATOM 217 NZ LYS A 13 5.335 -4.812 3.282 1.00 0.00 N ATOM 0 H LYS A 13 0.478 -5.882 6.300 1.00 0.00 H new ATOM 0 HA LYS A 13 2.876 -5.654 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.278 -4.591 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.302 -3.213 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.507 -5.085 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.020 -3.402 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.186 -2.950 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.489 -3.238 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.505 -5.811 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.140 -4.925 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.983 -5.494 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.720 -3.851 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.232 -5.039 4.292 1.00 0.00 H new ATOM 231 N ALA A 14 2.702 -4.085 7.591 1.00 0.00 N ATOM 232 CA ALA A 14 3.488 -3.313 8.544 1.00 0.00 C ATOM 233 C ALA A 14 4.535 -4.189 9.227 1.00 0.00 C ATOM 234 O ALA A 14 5.341 -3.701 10.019 1.00 0.00 O ATOM 235 CB ALA A 14 2.584 -2.659 9.577 1.00 0.00 C ATOM 0 H ALA A 14 1.825 -4.452 7.961 1.00 0.00 H new ATOM 0 HA ALA A 14 4.009 -2.529 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.189 -2.087 10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.882 -1.992 9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.032 -3.428 10.116 1.00 0.00 H new ATOM 241 N ASN A 15 4.511 -5.488 8.928 1.00 0.00 N ATOM 242 CA ASN A 15 5.455 -6.424 9.530 1.00 0.00 C ATOM 243 C ASN A 15 6.125 -7.317 8.496 1.00 0.00 C ATOM 244 O ASN A 15 6.853 -8.243 8.854 1.00 0.00 O ATOM 245 CB ASN A 15 4.751 -7.283 10.582 1.00 0.00 C ATOM 246 CG ASN A 15 4.192 -6.457 11.725 1.00 0.00 C ATOM 247 OD1 ASN A 15 4.773 -6.402 12.808 1.00 0.00 O ATOM 248 ND2 ASN A 15 3.058 -5.809 11.487 1.00 0.00 N ATOM 0 H ASN A 15 3.851 -5.912 8.276 1.00 0.00 H new ATOM 0 HA ASN A 15 6.236 -5.830 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.941 -7.839 10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.454 -8.016 10.977 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.634 -5.237 12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.610 -5.883 10.574 1.00 0.00 H new ATOM 255 N ASN A 16 5.896 -7.046 7.217 1.00 0.00 N ATOM 256 CA ASN A 16 6.510 -7.850 6.173 1.00 0.00 C ATOM 257 C ASN A 16 7.943 -7.394 5.910 1.00 0.00 C ATOM 258 O ASN A 16 8.230 -6.198 5.907 1.00 0.00 O ATOM 259 CB ASN A 16 5.700 -7.785 4.877 1.00 0.00 C ATOM 260 CG ASN A 16 5.736 -9.090 4.107 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.790 -10.170 4.694 1.00 0.00 O ATOM 262 ND2 ASN A 16 5.707 -8.996 2.782 1.00 0.00 N ATOM 0 H ASN A 16 5.300 -6.289 6.883 1.00 0.00 H new ATOM 0 HA ASN A 16 6.525 -8.883 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.666 -7.533 5.111 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.089 -6.984 4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.730 -9.840 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.662 -8.079 2.337 1.00 0.00 H new ATOM 269 N PRO A 17 8.868 -8.341 5.675 1.00 0.00 N ATOM 270 CA PRO A 17 10.272 -8.018 5.405 1.00 0.00 C ATOM 271 C PRO A 17 10.427 -6.929 4.355 1.00 0.00 C ATOM 272 O PRO A 17 11.440 -6.232 4.309 1.00 0.00 O ATOM 273 CB PRO A 17 10.851 -9.341 4.904 1.00 0.00 C ATOM 274 CG PRO A 17 10.001 -10.386 5.540 1.00 0.00 C ATOM 275 CD PRO A 17 8.621 -9.796 5.647 1.00 0.00 C ATOM 0 HA PRO A 17 10.777 -7.627 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.811 -9.405 3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.897 -9.451 5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.990 -11.297 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.386 -10.656 6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.996 -10.081 4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.109 -10.133 6.548 1.00 0.00 H new ATOM 283 N HIS A 18 9.413 -6.788 3.517 1.00 0.00 N ATOM 284 CA HIS A 18 9.422 -5.785 2.469 1.00 0.00 C ATOM 285 C HIS A 18 9.045 -4.415 3.025 1.00 0.00 C ATOM 286 O HIS A 18 9.482 -3.386 2.509 1.00 0.00 O ATOM 287 CB HIS A 18 8.451 -6.201 1.372 1.00 0.00 C ATOM 288 CG HIS A 18 9.067 -6.242 0.007 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.704 -5.285 -0.708 1.00 0.00 N flip ATOM 290 CD2 HIS A 18 9.068 -7.373 -0.783 1.00 0.00 C flip ATOM 291 CE1 HIS A 18 10.075 -5.849 -1.904 1.00 0.00 C flip ATOM 292 NE2 HIS A 18 9.680 -7.109 -1.924 1.00 0.00 N flip ATOM 0 H HIS A 18 8.569 -7.360 3.544 1.00 0.00 H new ATOM 0 HA HIS A 18 10.428 -5.710 2.055 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.049 -7.186 1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.610 -5.507 1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.636 -8.325 -0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.604 -5.344 -2.699 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.823 -7.767 -2.690 1.00 0.00 H new ATOM 301 N PHE A 19 8.236 -4.405 4.084 1.00 0.00 N ATOM 302 CA PHE A 19 7.811 -3.154 4.707 1.00 0.00 C ATOM 303 C PHE A 19 9.017 -2.263 4.984 1.00 0.00 C ATOM 304 O PHE A 19 8.942 -1.043 4.898 1.00 0.00 O ATOM 305 CB PHE A 19 7.012 -3.434 5.998 1.00 0.00 C ATOM 306 CG PHE A 19 7.806 -3.357 7.281 1.00 0.00 C ATOM 307 CD1 PHE A 19 8.342 -2.152 7.714 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.005 -4.487 8.058 1.00 0.00 C ATOM 309 CE1 PHE A 19 9.063 -2.079 8.891 1.00 0.00 C ATOM 310 CE2 PHE A 19 8.725 -4.420 9.237 1.00 0.00 C ATOM 311 CZ PHE A 19 9.255 -3.214 9.653 1.00 0.00 C ATOM 0 H PHE A 19 7.864 -5.245 4.526 1.00 0.00 H new ATOM 0 HA PHE A 19 7.153 -2.625 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.189 -2.722 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.570 -4.428 5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.194 -1.260 7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.592 -5.433 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.476 -1.135 9.214 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.873 -5.309 9.832 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.819 -3.159 10.573 1.00 0.00 H new ATOM 321 N ASP A 20 10.135 -2.885 5.312 1.00 0.00 N ATOM 322 CA ASP A 20 11.360 -2.148 5.596 1.00 0.00 C ATOM 323 C ASP A 20 11.585 -1.032 4.582 1.00 0.00 C ATOM 324 O ASP A 20 11.815 0.116 4.948 1.00 0.00 O ATOM 325 CB ASP A 20 12.552 -3.093 5.575 1.00 0.00 C ATOM 326 CG ASP A 20 12.779 -3.776 6.909 1.00 0.00 C ATOM 327 OD1 ASP A 20 11.783 -4.087 7.594 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.955 -4.000 7.268 1.00 0.00 O ATOM 0 H ASP A 20 10.223 -3.898 5.389 1.00 0.00 H new ATOM 0 HA ASP A 20 11.257 -1.701 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.398 -3.849 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.447 -2.536 5.299 1.00 0.00 H new ATOM 333 N LYS A 21 11.524 -1.388 3.308 1.00 0.00 N ATOM 334 CA LYS A 21 11.729 -0.427 2.232 1.00 0.00 C ATOM 335 C LYS A 21 10.417 0.215 1.789 1.00 0.00 C ATOM 336 O LYS A 21 10.310 1.438 1.709 1.00 0.00 O ATOM 337 CB LYS A 21 12.402 -1.109 1.040 1.00 0.00 C ATOM 338 CG LYS A 21 13.921 -1.096 1.112 1.00 0.00 C ATOM 339 CD LYS A 21 14.546 -1.357 -0.248 1.00 0.00 C ATOM 340 CE LYS A 21 16.034 -1.637 -0.133 1.00 0.00 C ATOM 341 NZ LYS A 21 16.570 -2.308 -1.350 1.00 0.00 N ATOM 0 H LYS A 21 11.333 -2.339 2.992 1.00 0.00 H new ATOM 0 HA LYS A 21 12.375 0.363 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.058 -2.142 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.085 -0.614 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.260 -0.132 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.259 -1.853 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.051 -2.205 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.386 -0.494 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.568 -0.701 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.219 -2.265 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.589 -2.481 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.079 -3.214 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.417 -1.698 -2.178 1.00 0.00 H new ATOM 355 N ILE A 22 9.433 -0.619 1.488 1.00 0.00 N ATOM 356 CA ILE A 22 8.132 -0.135 1.033 1.00 0.00 C ATOM 357 C ILE A 22 7.430 0.691 2.102 1.00 0.00 C ATOM 358 O ILE A 22 6.727 1.653 1.790 1.00 0.00 O ATOM 359 CB ILE A 22 7.194 -1.288 0.620 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.965 -2.373 -0.142 1.00 0.00 C ATOM 361 CG2 ILE A 22 6.047 -0.751 -0.222 1.00 0.00 C ATOM 362 CD1 ILE A 22 7.081 -3.466 -0.706 1.00 0.00 C ATOM 0 H ILE A 22 9.507 -1.634 1.550 1.00 0.00 H new ATOM 0 HA ILE A 22 8.340 0.490 0.164 1.00 0.00 H new ATOM 0 HB ILE A 22 6.783 -1.741 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.518 -1.908 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.700 -2.821 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.390 -1.572 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.482 -0.020 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.445 -0.275 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.696 -4.197 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.547 -3.958 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.362 -3.031 -1.401 1.00 0.00 H new ATOM 374 N PHE A 23 7.611 0.312 3.361 1.00 0.00 N ATOM 375 CA PHE A 23 6.975 1.028 4.460 1.00 0.00 C ATOM 376 C PHE A 23 7.814 2.224 4.893 1.00 0.00 C ATOM 377 O PHE A 23 7.273 3.249 5.300 1.00 0.00 O ATOM 378 CB PHE A 23 6.717 0.097 5.648 1.00 0.00 C ATOM 379 CG PHE A 23 5.284 0.077 6.092 1.00 0.00 C ATOM 380 CD1 PHE A 23 4.767 1.105 6.863 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.454 -0.973 5.735 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.447 1.086 7.272 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.134 -0.998 6.141 1.00 0.00 C ATOM 384 CZ PHE A 23 2.630 0.033 6.910 1.00 0.00 C ATOM 0 H PHE A 23 8.188 -0.480 3.645 1.00 0.00 H new ATOM 0 HA PHE A 23 6.014 1.397 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.020 -0.915 5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.344 0.406 6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.402 1.931 7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.843 -1.781 5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.055 1.893 7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.497 -1.823 5.858 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.598 0.016 7.228 1.00 0.00 H new ATOM 394 N GLU A 24 9.135 2.100 4.796 1.00 0.00 N ATOM 395 CA GLU A 24 10.014 3.201 5.174 1.00 0.00 C ATOM 396 C GLU A 24 9.898 4.335 4.167 1.00 0.00 C ATOM 397 O GLU A 24 9.788 5.503 4.541 1.00 0.00 O ATOM 398 CB GLU A 24 11.466 2.730 5.274 1.00 0.00 C ATOM 399 CG GLU A 24 12.453 3.848 5.577 1.00 0.00 C ATOM 400 CD GLU A 24 13.610 3.888 4.598 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.419 4.400 3.475 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.707 3.410 4.954 1.00 0.00 O ATOM 0 H GLU A 24 9.614 1.263 4.464 1.00 0.00 H new ATOM 0 HA GLU A 24 9.704 3.564 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.540 1.971 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.749 2.252 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.930 4.804 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.842 3.720 6.587 1.00 0.00 H new ATOM 409 N LYS A 25 9.907 3.980 2.889 1.00 0.00 N ATOM 410 CA LYS A 25 9.783 4.970 1.829 1.00 0.00 C ATOM 411 C LYS A 25 8.425 5.645 1.915 1.00 0.00 C ATOM 412 O LYS A 25 8.316 6.867 1.804 1.00 0.00 O ATOM 413 CB LYS A 25 9.970 4.319 0.457 1.00 0.00 C ATOM 414 CG LYS A 25 11.387 4.431 -0.082 1.00 0.00 C ATOM 415 CD LYS A 25 12.357 3.568 0.712 1.00 0.00 C ATOM 416 CE LYS A 25 12.883 2.409 -0.120 1.00 0.00 C ATOM 417 NZ LYS A 25 13.596 2.880 -1.341 1.00 0.00 N ATOM 0 H LYS A 25 9.998 3.018 2.563 1.00 0.00 H new ATOM 0 HA LYS A 25 10.563 5.721 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.698 3.266 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.283 4.781 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.404 4.129 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.710 5.471 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.192 4.179 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.858 3.182 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.559 1.805 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.053 1.764 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.314 2.179 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.914 2.999 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.058 3.790 -1.144 1.00 0.00 H new ATOM 431 N HIS A 26 7.394 4.842 2.141 1.00 0.00 N ATOM 432 CA HIS A 26 6.043 5.362 2.275 1.00 0.00 C ATOM 433 C HIS A 26 5.939 6.166 3.561 1.00 0.00 C ATOM 434 O HIS A 26 5.505 7.318 3.558 1.00 0.00 O ATOM 435 CB HIS A 26 5.021 4.219 2.278 1.00 0.00 C ATOM 436 CG HIS A 26 3.605 4.682 2.463 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.530 3.819 2.490 1.00 0.00 N ATOM 438 CD2 HIS A 26 3.091 5.924 2.635 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.418 4.509 2.672 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.730 5.786 2.764 1.00 0.00 N ATOM 0 H HIS A 26 7.469 3.829 2.235 1.00 0.00 H new ATOM 0 HA HIS A 26 5.824 6.008 1.425 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.096 3.673 1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.273 3.519 3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.647 6.849 2.665 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.422 4.096 2.735 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.068 6.549 2.908 1.00 0.00 H new ATOM 449 N ASN A 27 6.362 5.553 4.659 1.00 0.00 N ATOM 450 CA ASN A 27 6.336 6.212 5.960 1.00 0.00 C ATOM 451 C ASN A 27 7.096 7.535 5.912 1.00 0.00 C ATOM 452 O ASN A 27 6.785 8.467 6.653 1.00 0.00 O ATOM 453 CB ASN A 27 6.939 5.303 7.033 1.00 0.00 C ATOM 454 CG ASN A 27 6.861 5.914 8.419 1.00 0.00 C ATOM 455 OD1 ASN A 27 5.858 6.527 8.784 1.00 0.00 O ATOM 456 ND2 ASN A 27 7.924 5.750 9.197 1.00 0.00 N ATOM 0 H ASN A 27 6.727 4.601 4.676 1.00 0.00 H new ATOM 0 HA ASN A 27 5.296 6.417 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.416 4.346 7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.981 5.097 6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.931 6.140 10.140 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.734 5.234 8.852 1.00 0.00 H new ATOM 463 N GLN A 28 8.091 7.614 5.029 1.00 0.00 N ATOM 464 CA GLN A 28 8.884 8.829 4.886 1.00 0.00 C ATOM 465 C GLN A 28 8.032 9.954 4.318 1.00 0.00 C ATOM 466 O GLN A 28 8.114 11.099 4.765 1.00 0.00 O ATOM 467 CB GLN A 28 10.091 8.576 3.982 1.00 0.00 C ATOM 468 CG GLN A 28 11.052 9.752 3.907 1.00 0.00 C ATOM 469 CD GLN A 28 11.540 10.192 5.273 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.633 9.825 5.703 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.729 10.986 5.963 1.00 0.00 N ATOM 0 H GLN A 28 8.364 6.854 4.406 1.00 0.00 H new ATOM 0 HA GLN A 28 9.242 9.124 5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.629 7.700 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.739 8.340 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.908 9.479 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.558 10.590 3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.831 11.266 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.004 11.316 6.888 1.00 0.00 H new ATOM 480 N LEU A 29 7.202 9.616 3.340 1.00 0.00 N ATOM 481 CA LEU A 29 6.318 10.589 2.719 1.00 0.00 C ATOM 482 C LEU A 29 5.249 11.019 3.711 1.00 0.00 C ATOM 483 O LEU A 29 5.072 12.207 3.975 1.00 0.00 O ATOM 484 CB LEU A 29 5.671 10.003 1.463 1.00 0.00 C ATOM 485 CG LEU A 29 6.516 10.110 0.192 1.00 0.00 C ATOM 486 CD1 LEU A 29 7.392 8.878 0.028 1.00 0.00 C ATOM 487 CD2 LEU A 29 5.625 10.297 -1.026 1.00 0.00 C ATOM 0 H LEU A 29 7.124 8.673 2.960 1.00 0.00 H new ATOM 0 HA LEU A 29 6.904 11.460 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.446 8.952 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.720 10.508 1.293 1.00 0.00 H new ATOM 0 HG LEU A 29 7.164 10.982 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.986 8.972 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.056 8.787 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.763 7.991 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.243 10.371 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.952 9.444 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.040 11.210 -0.912 1.00 0.00 H new ATOM 499 N ASP A 30 4.558 10.037 4.276 1.00 0.00 N ATOM 500 CA ASP A 30 3.521 10.306 5.264 1.00 0.00 C ATOM 501 C ASP A 30 4.116 11.038 6.463 1.00 0.00 C ATOM 502 O ASP A 30 3.404 11.700 7.215 1.00 0.00 O ATOM 503 CB ASP A 30 2.859 9.002 5.717 1.00 0.00 C ATOM 504 CG ASP A 30 1.638 9.245 6.581 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.801 9.412 7.808 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.516 9.268 6.031 1.00 0.00 O ATOM 0 H ASP A 30 4.697 9.048 4.067 1.00 0.00 H new ATOM 0 HA ASP A 30 2.761 10.938 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.571 8.420 4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.582 8.405 6.273 1.00 0.00 H new ATOM 511 N ASP A 31 5.433 10.931 6.625 1.00 0.00 N ATOM 512 CA ASP A 31 6.114 11.611 7.715 1.00 0.00 C ATOM 513 C ASP A 31 6.379 13.056 7.319 1.00 0.00 C ATOM 514 O ASP A 31 6.384 13.955 8.160 1.00 0.00 O ATOM 515 CB ASP A 31 7.425 10.903 8.061 1.00 0.00 C ATOM 516 CG ASP A 31 8.155 11.566 9.213 1.00 0.00 C ATOM 517 OD1 ASP A 31 7.902 11.184 10.374 1.00 0.00 O ATOM 518 OD2 ASP A 31 8.980 12.467 8.952 1.00 0.00 O ATOM 0 H ASP A 31 6.043 10.383 6.018 1.00 0.00 H new ATOM 0 HA ASP A 31 5.478 11.589 8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.217 9.864 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.071 10.892 7.183 1.00 0.00 H new ATOM 523 N ASP A 32 6.575 13.273 6.020 1.00 0.00 N ATOM 524 CA ASP A 32 6.814 14.610 5.495 1.00 0.00 C ATOM 525 C ASP A 32 5.489 15.346 5.331 1.00 0.00 C ATOM 526 O ASP A 32 5.416 16.563 5.500 1.00 0.00 O ATOM 527 CB ASP A 32 7.545 14.536 4.153 1.00 0.00 C ATOM 528 CG ASP A 32 9.051 14.614 4.310 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.633 13.689 4.913 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.647 15.600 3.829 1.00 0.00 O ATOM 0 H ASP A 32 6.572 12.537 5.313 1.00 0.00 H new ATOM 0 HA ASP A 32 7.441 15.156 6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.283 13.605 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.207 15.351 3.513 1.00 0.00 H new ATOM 535 N ILE A 33 4.439 14.591 5.013 1.00 0.00 N ATOM 536 CA ILE A 33 3.113 15.154 4.839 1.00 0.00 C ATOM 537 C ILE A 33 2.591 15.684 6.169 1.00 0.00 C ATOM 538 O ILE A 33 1.899 16.700 6.218 1.00 0.00 O ATOM 539 CB ILE A 33 2.129 14.110 4.262 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.632 13.161 5.355 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.778 13.329 3.128 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.388 13.654 6.063 1.00 0.00 C ATOM 0 H ILE A 33 4.488 13.582 4.871 1.00 0.00 H new ATOM 0 HA ILE A 33 3.188 15.976 4.127 1.00 0.00 H new ATOM 0 HB ILE A 33 1.267 14.645 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.427 12.186 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.425 13.017 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.069 12.600 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.069 14.016 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.661 12.811 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.092 12.932 6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.594 14.615 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.420 13.771 5.341 1.00 0.00 H new ATOM 554 N LYS A 34 2.951 14.995 7.251 1.00 0.00 N ATOM 555 CA LYS A 34 2.540 15.409 8.584 1.00 0.00 C ATOM 556 C LYS A 34 3.424 16.551 9.054 1.00 0.00 C ATOM 557 O LYS A 34 2.950 17.515 9.657 1.00 0.00 O ATOM 558 CB LYS A 34 2.625 14.239 9.564 1.00 0.00 C ATOM 559 CG LYS A 34 4.016 13.637 9.674 1.00 0.00 C ATOM 560 CD LYS A 34 4.077 12.561 10.747 1.00 0.00 C ATOM 561 CE LYS A 34 5.286 12.738 11.654 1.00 0.00 C ATOM 562 NZ LYS A 34 4.911 12.684 13.094 1.00 0.00 N ATOM 0 H LYS A 34 3.524 14.152 7.227 1.00 0.00 H new ATOM 0 HA LYS A 34 1.504 15.745 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.306 14.578 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.926 13.463 9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.306 13.211 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.736 14.422 9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.166 12.591 11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.116 11.579 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.018 11.959 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.765 13.693 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.762 12.809 13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.232 13.443 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.477 11.763 13.305 1.00 0.00 H new ATOM 576 N THR A 35 4.713 16.446 8.746 1.00 0.00 N ATOM 577 CA THR A 35 5.667 17.482 9.108 1.00 0.00 C ATOM 578 C THR A 35 5.318 18.772 8.380 1.00 0.00 C ATOM 579 O THR A 35 5.570 19.870 8.876 1.00 0.00 O ATOM 580 CB THR A 35 7.090 17.047 8.756 1.00 0.00 C ATOM 581 OG1 THR A 35 7.425 15.842 9.421 1.00 0.00 O ATOM 582 CG2 THR A 35 8.138 18.077 9.119 1.00 0.00 C ATOM 0 H THR A 35 5.118 15.654 8.247 1.00 0.00 H new ATOM 0 HA THR A 35 5.616 17.650 10.184 1.00 0.00 H new ATOM 0 HB THR A 35 7.092 16.915 7.674 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.053 15.082 8.928 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.125 17.705 8.843 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.937 19.005 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.108 18.264 10.192 1.00 0.00 H new ATOM 590 N ALA A 36 4.718 18.626 7.199 1.00 0.00 N ATOM 591 CA ALA A 36 4.312 19.772 6.401 1.00 0.00 C ATOM 592 C ALA A 36 2.955 20.291 6.866 1.00 0.00 C ATOM 593 O ALA A 36 2.651 21.475 6.725 1.00 0.00 O ATOM 594 CB ALA A 36 4.263 19.400 4.926 1.00 0.00 C ATOM 0 H ALA A 36 4.504 17.722 6.777 1.00 0.00 H new ATOM 0 HA ALA A 36 5.048 20.565 6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.958 20.268 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.250 19.073 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.546 18.593 4.778 1.00 0.00 H new ATOM 600 N GLU A 37 2.147 19.395 7.428 1.00 0.00 N ATOM 601 CA GLU A 37 0.827 19.761 7.925 1.00 0.00 C ATOM 602 C GLU A 37 0.937 20.508 9.251 1.00 0.00 C ATOM 603 O GLU A 37 0.038 21.259 9.630 1.00 0.00 O ATOM 604 CB GLU A 37 -0.040 18.511 8.102 1.00 0.00 C ATOM 605 CG GLU A 37 -0.985 18.254 6.940 1.00 0.00 C ATOM 606 CD GLU A 37 -2.028 19.344 6.784 1.00 0.00 C ATOM 607 OE1 GLU A 37 -1.706 20.391 6.184 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.165 19.150 7.263 1.00 0.00 O ATOM 0 H GLU A 37 2.385 18.411 7.550 1.00 0.00 H new ATOM 0 HA GLU A 37 0.358 20.418 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.609 17.645 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.623 18.610 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.408 18.174 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.485 17.297 7.088 1.00 0.00 H new ATOM 615 N GLN A 38 2.046 20.294 9.954 1.00 0.00 N ATOM 616 CA GLN A 38 2.279 20.941 11.239 1.00 0.00 C ATOM 617 C GLN A 38 2.188 22.460 11.117 1.00 0.00 C ATOM 618 O GLN A 38 1.585 23.122 11.961 1.00 0.00 O ATOM 619 CB GLN A 38 3.649 20.541 11.793 1.00 0.00 C ATOM 620 CG GLN A 38 3.577 19.502 12.900 1.00 0.00 C ATOM 621 CD GLN A 38 4.574 18.376 12.709 1.00 0.00 C ATOM 622 OE1 GLN A 38 4.158 17.329 12.005 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 5.706 18.446 13.187 1.00 0.00 N flip ATOM 0 H GLN A 38 2.799 19.675 9.653 1.00 0.00 H new ATOM 0 HA GLN A 38 1.503 20.608 11.928 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.261 20.151 10.980 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.152 21.430 12.173 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.760 19.986 13.859 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.570 19.088 12.939 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.984 19.269 13.721 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.366 17.681 13.049 1.00 0.00 H new ATOM 632 N GLN A 39 2.791 23.008 10.065 1.00 0.00 N ATOM 633 CA GLN A 39 2.774 24.449 9.850 1.00 0.00 C ATOM 634 C GLN A 39 2.110 24.802 8.522 1.00 0.00 C ATOM 635 O GLN A 39 1.590 25.905 8.355 1.00 0.00 O ATOM 636 CB GLN A 39 4.200 25.007 9.885 1.00 0.00 C ATOM 637 CG GLN A 39 5.021 24.676 8.646 1.00 0.00 C ATOM 638 CD GLN A 39 5.966 23.512 8.867 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.797 23.534 9.774 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.842 22.484 8.035 1.00 0.00 N ATOM 0 H GLN A 39 3.294 22.478 9.353 1.00 0.00 H new ATOM 0 HA GLN A 39 2.191 24.900 10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.153 26.090 10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.712 24.615 10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.348 24.442 7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.595 25.554 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.139 22.508 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.450 21.671 8.135 1.00 0.00 H new ATOM 649 N ASN A 40 2.143 23.865 7.577 1.00 0.00 N ATOM 650 CA ASN A 40 1.555 24.091 6.264 1.00 0.00 C ATOM 651 C ASN A 40 2.288 25.213 5.543 1.00 0.00 C ATOM 652 O ASN A 40 1.671 26.152 5.038 1.00 0.00 O ATOM 653 CB ASN A 40 0.074 24.434 6.401 1.00 0.00 C ATOM 654 CG ASN A 40 -0.810 23.202 6.385 1.00 0.00 C ATOM 655 OD1 ASN A 40 -0.779 22.440 7.473 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.512 22.939 5.409 1.00 0.00 N flip ATOM 0 H ASN A 40 2.570 22.946 7.698 1.00 0.00 H new ATOM 0 HA ASN A 40 1.651 23.177 5.678 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.085 24.980 7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.219 25.098 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.504 23.553 4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.102 22.107 5.414 1.00 0.00 H new ATOM 663 N ALA A 41 3.615 25.106 5.502 1.00 0.00 N ATOM 664 CA ALA A 41 4.452 26.108 4.845 1.00 0.00 C ATOM 665 C ALA A 41 3.856 26.540 3.507 1.00 0.00 C ATOM 666 O ALA A 41 4.040 27.677 3.071 1.00 0.00 O ATOM 667 CB ALA A 41 5.860 25.569 4.647 1.00 0.00 C ATOM 0 H ALA A 41 4.135 24.333 5.917 1.00 0.00 H new ATOM 0 HA ALA A 41 4.495 26.985 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.473 26.325 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.294 25.322 5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.823 24.674 4.027 1.00 0.00 H new ATOM 673 N SER A 42 3.139 25.624 2.862 1.00 0.00 N ATOM 674 CA SER A 42 2.512 25.909 1.578 1.00 0.00 C ATOM 675 C SER A 42 1.417 24.891 1.275 1.00 0.00 C ATOM 676 O SER A 42 1.687 23.698 1.127 1.00 0.00 O ATOM 677 CB SER A 42 3.560 25.905 0.464 1.00 0.00 C ATOM 678 OG SER A 42 2.966 25.664 -0.801 1.00 0.00 O ATOM 0 H SER A 42 2.979 24.678 3.209 1.00 0.00 H new ATOM 0 HA SER A 42 2.057 26.898 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.080 26.863 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.308 25.139 0.669 1.00 0.00 H new ATOM 0 HG SER A 42 3.659 25.669 -1.494 1.00 0.00 H new ATOM 684 N ASP A 43 0.178 25.369 1.183 1.00 0.00 N ATOM 685 CA ASP A 43 -0.964 24.506 0.895 1.00 0.00 C ATOM 686 C ASP A 43 -0.667 23.594 -0.287 1.00 0.00 C ATOM 687 O ASP A 43 -0.844 22.378 -0.209 1.00 0.00 O ATOM 688 CB ASP A 43 -2.210 25.346 0.607 1.00 0.00 C ATOM 689 CG ASP A 43 -1.933 26.476 -0.366 1.00 0.00 C ATOM 690 OD1 ASP A 43 -1.070 27.325 -0.062 1.00 0.00 O ATOM 691 OD2 ASP A 43 -2.582 26.512 -1.434 1.00 0.00 O ATOM 0 H ASP A 43 -0.061 26.353 1.304 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.150 23.887 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.992 24.704 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.590 25.759 1.541 1.00 0.00 H new ATOM 696 N ALA A 44 -0.196 24.189 -1.374 1.00 0.00 N ATOM 697 CA ALA A 44 0.146 23.430 -2.569 1.00 0.00 C ATOM 698 C ALA A 44 1.232 22.409 -2.251 1.00 0.00 C ATOM 699 O ALA A 44 1.328 21.366 -2.896 1.00 0.00 O ATOM 700 CB ALA A 44 0.603 24.365 -3.680 1.00 0.00 C ATOM 0 H ALA A 44 -0.042 25.194 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.742 22.899 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.855 23.782 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.199 25.063 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.481 24.921 -3.350 1.00 0.00 H new ATOM 706 N GLU A 45 2.040 22.717 -1.241 1.00 0.00 N ATOM 707 CA GLU A 45 3.116 21.831 -0.819 1.00 0.00 C ATOM 708 C GLU A 45 2.571 20.703 0.044 1.00 0.00 C ATOM 709 O GLU A 45 2.971 19.548 -0.098 1.00 0.00 O ATOM 710 CB GLU A 45 4.174 22.613 -0.039 1.00 0.00 C ATOM 711 CG GLU A 45 5.517 21.904 0.042 1.00 0.00 C ATOM 712 CD GLU A 45 5.846 21.437 1.447 1.00 0.00 C ATOM 713 OE1 GLU A 45 5.701 22.243 2.391 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.250 20.265 1.604 1.00 0.00 O ATOM 0 H GLU A 45 1.968 23.578 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 45 3.575 21.403 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.314 23.587 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.807 22.796 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.512 21.046 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.301 22.577 -0.306 1.00 0.00 H new ATOM 721 N VAL A 46 1.655 21.047 0.940 1.00 0.00 N ATOM 722 CA VAL A 46 1.055 20.060 1.826 1.00 0.00 C ATOM 723 C VAL A 46 0.002 19.235 1.095 1.00 0.00 C ATOM 724 O VAL A 46 -0.281 18.098 1.473 1.00 0.00 O ATOM 725 CB VAL A 46 0.409 20.720 3.060 1.00 0.00 C ATOM 726 CG1 VAL A 46 0.048 19.667 4.096 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.338 21.770 3.657 1.00 0.00 C ATOM 0 H VAL A 46 1.313 21.999 1.072 1.00 0.00 H new ATOM 0 HA VAL A 46 1.862 19.407 2.158 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.507 21.220 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.407 20.149 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.657 18.957 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.949 19.139 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.863 22.224 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.273 21.299 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.543 22.540 2.913 1.00 0.00 H new ATOM 737 N SER A 47 -0.575 19.811 0.045 1.00 0.00 N ATOM 738 CA SER A 47 -1.593 19.122 -0.738 1.00 0.00 C ATOM 739 C SER A 47 -0.961 18.256 -1.817 1.00 0.00 C ATOM 740 O SER A 47 -1.574 17.304 -2.301 1.00 0.00 O ATOM 741 CB SER A 47 -2.557 20.129 -1.368 1.00 0.00 C ATOM 742 OG SER A 47 -1.980 20.744 -2.507 1.00 0.00 O ATOM 0 H SER A 47 -0.355 20.752 -0.282 1.00 0.00 H new ATOM 0 HA SER A 47 -2.152 18.473 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.480 19.624 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.822 20.891 -0.635 1.00 0.00 H new ATOM 0 HG SER A 47 -2.616 21.382 -2.892 1.00 0.00 H new ATOM 748 N HIS A 48 0.267 18.585 -2.186 1.00 0.00 N ATOM 749 CA HIS A 48 0.982 17.831 -3.201 1.00 0.00 C ATOM 750 C HIS A 48 1.674 16.623 -2.583 1.00 0.00 C ATOM 751 O HIS A 48 1.888 15.610 -3.247 1.00 0.00 O ATOM 752 CB HIS A 48 2.002 18.731 -3.885 1.00 0.00 C ATOM 753 CG HIS A 48 2.687 18.089 -5.050 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.057 18.068 -5.201 1.00 0.00 N ATOM 755 CD2 HIS A 48 2.182 17.440 -6.128 1.00 0.00 C ATOM 756 CE1 HIS A 48 4.367 17.436 -6.320 1.00 0.00 C ATOM 757 NE2 HIS A 48 3.246 17.045 -6.900 1.00 0.00 N ATOM 0 H HIS A 48 0.789 19.370 -1.797 1.00 0.00 H new ATOM 0 HA HIS A 48 0.267 17.472 -3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.503 19.639 -4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.753 19.034 -3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.137 17.266 -6.340 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.366 17.268 -6.696 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.182 16.532 -7.779 1.00 0.00 H new ATOM 766 N MET A 49 2.017 16.737 -1.303 1.00 0.00 N ATOM 767 CA MET A 49 2.678 15.651 -0.593 1.00 0.00 C ATOM 768 C MET A 49 1.692 14.535 -0.288 1.00 0.00 C ATOM 769 O MET A 49 2.048 13.356 -0.316 1.00 0.00 O ATOM 770 CB MET A 49 3.310 16.164 0.702 1.00 0.00 C ATOM 771 CG MET A 49 4.506 17.075 0.476 1.00 0.00 C ATOM 772 SD MET A 49 6.006 16.160 0.069 1.00 0.00 S ATOM 773 CE MET A 49 5.957 16.209 -1.722 1.00 0.00 C ATOM 0 H MET A 49 1.848 17.570 -0.739 1.00 0.00 H new ATOM 0 HA MET A 49 3.466 15.254 -1.233 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.556 16.703 1.276 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.622 15.312 1.307 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.280 17.772 -0.331 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.680 17.670 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.938 15.192 -2.113 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.062 16.740 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.841 16.725 -2.096 1.00 0.00 H new ATOM 783 N LYS A 50 0.448 14.906 -0.008 1.00 0.00 N ATOM 784 CA LYS A 50 -0.580 13.917 0.285 1.00 0.00 C ATOM 785 C LYS A 50 -0.920 13.128 -0.966 1.00 0.00 C ATOM 786 O LYS A 50 -1.201 11.932 -0.897 1.00 0.00 O ATOM 787 CB LYS A 50 -1.839 14.576 0.829 1.00 0.00 C ATOM 788 CG LYS A 50 -1.640 15.265 2.170 1.00 0.00 C ATOM 789 CD LYS A 50 -2.931 15.892 2.671 1.00 0.00 C ATOM 790 CE LYS A 50 -3.636 14.993 3.673 1.00 0.00 C ATOM 791 NZ LYS A 50 -5.116 15.045 3.522 1.00 0.00 N ATOM 0 H LYS A 50 0.130 15.875 0.022 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.187 13.243 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.197 15.308 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.618 13.821 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.277 14.543 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.874 16.034 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.713 16.854 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.593 16.087 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.294 13.966 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.364 15.294 4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.559 14.418 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.446 16.020 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.378 14.733 2.565 1.00 0.00 H new ATOM 805 N LYS A 51 -0.873 13.795 -2.116 1.00 0.00 N ATOM 806 CA LYS A 51 -1.157 13.131 -3.380 1.00 0.00 C ATOM 807 C LYS A 51 -0.237 11.929 -3.538 1.00 0.00 C ATOM 808 O LYS A 51 -0.607 10.919 -4.136 1.00 0.00 O ATOM 809 CB LYS A 51 -0.976 14.097 -4.552 1.00 0.00 C ATOM 810 CG LYS A 51 -1.998 13.905 -5.661 1.00 0.00 C ATOM 811 CD LYS A 51 -2.305 15.215 -6.369 1.00 0.00 C ATOM 812 CE LYS A 51 -2.539 15.001 -7.856 1.00 0.00 C ATOM 813 NZ LYS A 51 -2.570 16.289 -8.604 1.00 0.00 N ATOM 0 H LYS A 51 -0.643 14.785 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.194 12.795 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.041 15.120 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.025 13.971 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.622 13.180 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.916 13.492 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.188 15.673 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.478 15.910 -6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.751 14.365 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.481 14.473 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.732 16.100 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.338 16.886 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.662 16.782 -8.485 1.00 0.00 H new ATOM 827 N GLN A 52 0.958 12.043 -2.967 1.00 0.00 N ATOM 828 CA GLN A 52 1.929 10.964 -3.010 1.00 0.00 C ATOM 829 C GLN A 52 1.600 9.922 -1.943 1.00 0.00 C ATOM 830 O GLN A 52 2.048 8.781 -2.021 1.00 0.00 O ATOM 831 CB GLN A 52 3.343 11.508 -2.799 1.00 0.00 C ATOM 832 CG GLN A 52 3.720 12.616 -3.768 1.00 0.00 C ATOM 833 CD GLN A 52 4.390 12.092 -5.022 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.928 11.124 -5.628 1.00 0.00 O ATOM 835 NE2 GLN A 52 5.487 12.728 -5.418 1.00 0.00 N ATOM 0 H GLN A 52 1.274 12.875 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 52 1.883 10.492 -3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.430 11.883 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.057 10.690 -2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.824 13.172 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.389 13.317 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.834 13.526 -4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.982 12.419 -6.255 1.00 0.00 H new ATOM 844 N LYS A 53 0.804 10.324 -0.949 1.00 0.00 N ATOM 845 CA LYS A 53 0.408 9.422 0.126 1.00 0.00 C ATOM 846 C LYS A 53 -0.380 8.244 -0.427 1.00 0.00 C ATOM 847 O LYS A 53 0.046 7.093 -0.333 1.00 0.00 O ATOM 848 CB LYS A 53 -0.446 10.168 1.146 1.00 0.00 C ATOM 849 CG LYS A 53 -0.206 9.728 2.582 1.00 0.00 C ATOM 850 CD LYS A 53 -1.513 9.534 3.334 1.00 0.00 C ATOM 851 CE LYS A 53 -1.849 8.060 3.498 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.223 7.428 2.202 1.00 0.00 N ATOM 0 H LYS A 53 0.424 11.267 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 53 1.311 9.049 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.244 11.236 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.498 10.023 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.360 8.796 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.402 10.473 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.442 10.003 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.320 10.035 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.992 7.537 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.671 7.952 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.843 6.612 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.724 8.121 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.364 7.109 1.710 1.00 0.00 H new ATOM 866 N LEU A 54 -1.530 8.549 -1.014 1.00 0.00 N ATOM 867 CA LEU A 54 -2.390 7.531 -1.600 1.00 0.00 C ATOM 868 C LEU A 54 -1.612 6.721 -2.625 1.00 0.00 C ATOM 869 O LEU A 54 -1.927 5.560 -2.891 1.00 0.00 O ATOM 870 CB LEU A 54 -3.611 8.177 -2.258 1.00 0.00 C ATOM 871 CG LEU A 54 -4.707 7.201 -2.691 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.817 7.149 -1.653 1.00 0.00 C ATOM 873 CD2 LEU A 54 -5.265 7.594 -4.051 1.00 0.00 C ATOM 0 H LEU A 54 -1.890 9.500 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.734 6.866 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.041 8.897 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.279 8.738 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.268 6.207 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.587 6.450 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.407 6.819 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.253 8.141 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.043 6.889 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.687 8.597 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.465 7.578 -4.791 1.00 0.00 H new ATOM 885 N LYS A 55 -0.576 7.339 -3.182 1.00 0.00 N ATOM 886 CA LYS A 55 0.269 6.672 -4.160 1.00 0.00 C ATOM 887 C LYS A 55 1.252 5.775 -3.439 1.00 0.00 C ATOM 888 O LYS A 55 1.480 4.632 -3.835 1.00 0.00 O ATOM 889 CB LYS A 55 1.008 7.690 -5.030 1.00 0.00 C ATOM 890 CG LYS A 55 1.597 7.092 -6.298 1.00 0.00 C ATOM 891 CD LYS A 55 0.926 7.648 -7.544 1.00 0.00 C ATOM 892 CE LYS A 55 1.897 7.729 -8.711 1.00 0.00 C ATOM 893 NZ LYS A 55 1.441 8.694 -9.748 1.00 0.00 N ATOM 0 H LYS A 55 -0.303 8.299 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.357 6.069 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.320 8.491 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.809 8.142 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.666 7.300 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.484 6.008 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.081 7.016 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.527 8.640 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.880 8.027 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.009 6.742 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.131 8.719 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.515 8.396 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.358 9.642 -9.328 1.00 0.00 H new ATOM 907 N LEU A 56 1.797 6.288 -2.344 1.00 0.00 N ATOM 908 CA LEU A 56 2.716 5.517 -1.533 1.00 0.00 C ATOM 909 C LEU A 56 1.929 4.509 -0.711 1.00 0.00 C ATOM 910 O LEU A 56 2.503 3.624 -0.078 1.00 0.00 O ATOM 911 CB LEU A 56 3.541 6.429 -0.623 1.00 0.00 C ATOM 912 CG LEU A 56 4.852 6.937 -1.229 1.00 0.00 C ATOM 913 CD1 LEU A 56 5.840 5.792 -1.396 1.00 0.00 C ATOM 914 CD2 LEU A 56 4.596 7.621 -2.563 1.00 0.00 C ATOM 0 H LEU A 56 1.617 7.232 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 56 3.411 4.989 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.930 7.288 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.769 5.889 0.296 1.00 0.00 H new ATOM 0 HG LEU A 56 5.285 7.669 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.766 6.171 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.049 5.347 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.414 5.037 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.540 7.975 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.140 6.912 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.925 8.467 -2.415 1.00 0.00 H new ATOM 926 N LYS A 57 0.599 4.626 -0.753 1.00 0.00 N ATOM 927 CA LYS A 57 -0.263 3.693 -0.047 1.00 0.00 C ATOM 928 C LYS A 57 -0.586 2.531 -0.973 1.00 0.00 C ATOM 929 O LYS A 57 -0.782 1.400 -0.531 1.00 0.00 O ATOM 930 CB LYS A 57 -1.556 4.371 0.412 1.00 0.00 C ATOM 931 CG LYS A 57 -2.615 3.390 0.901 1.00 0.00 C ATOM 932 CD LYS A 57 -3.967 4.065 1.064 1.00 0.00 C ATOM 933 CE LYS A 57 -4.840 3.331 2.071 1.00 0.00 C ATOM 934 NZ LYS A 57 -4.581 3.784 3.465 1.00 0.00 N ATOM 0 H LYS A 57 0.104 5.355 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 57 0.256 3.334 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.324 5.073 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.965 4.953 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.702 2.565 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.304 2.962 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.823 5.096 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.475 4.102 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.890 3.492 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.656 2.259 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.196 3.260 4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.585 3.607 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.781 4.802 3.542 1.00 0.00 H new ATOM 948 N ASP A 58 -0.633 2.829 -2.269 1.00 0.00 N ATOM 949 CA ASP A 58 -0.922 1.825 -3.277 1.00 0.00 C ATOM 950 C ASP A 58 0.066 0.674 -3.183 1.00 0.00 C ATOM 951 O ASP A 58 -0.295 -0.477 -3.400 1.00 0.00 O ATOM 952 CB ASP A 58 -0.878 2.442 -4.676 1.00 0.00 C ATOM 953 CG ASP A 58 -1.826 1.757 -5.641 1.00 0.00 C ATOM 954 OD1 ASP A 58 -1.672 0.537 -5.858 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.721 2.441 -6.180 1.00 0.00 O ATOM 0 H ASP A 58 -0.473 3.765 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.925 1.439 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.132 3.500 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.138 2.381 -5.065 1.00 0.00 H new ATOM 960 N GLU A 59 1.314 0.988 -2.851 1.00 0.00 N ATOM 961 CA GLU A 59 2.336 -0.046 -2.726 1.00 0.00 C ATOM 962 C GLU A 59 2.037 -0.959 -1.543 1.00 0.00 C ATOM 963 O GLU A 59 2.127 -2.181 -1.653 1.00 0.00 O ATOM 964 CB GLU A 59 3.720 0.581 -2.566 1.00 0.00 C ATOM 965 CG GLU A 59 3.821 1.530 -1.387 1.00 0.00 C ATOM 966 CD GLU A 59 4.860 2.613 -1.597 1.00 0.00 C ATOM 967 OE1 GLU A 59 4.797 3.305 -2.635 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.739 2.770 -0.723 1.00 0.00 O ATOM 0 H GLU A 59 1.640 1.937 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 59 2.325 -0.642 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.458 -0.212 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.974 1.120 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.849 1.993 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.069 0.963 -0.490 1.00 0.00 H new ATOM 975 N ILE A 60 1.669 -0.359 -0.414 1.00 0.00 N ATOM 976 CA ILE A 60 1.341 -1.123 0.784 1.00 0.00 C ATOM 977 C ILE A 60 -0.008 -1.810 0.612 1.00 0.00 C ATOM 978 O ILE A 60 -0.205 -2.940 1.054 1.00 0.00 O ATOM 979 CB ILE A 60 1.304 -0.222 2.041 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.681 0.393 2.304 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.837 -1.005 3.264 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.733 -0.613 2.719 1.00 0.00 C ATOM 0 H ILE A 60 1.591 0.652 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 60 2.122 -1.871 0.923 1.00 0.00 H new ATOM 0 HB ILE A 60 0.590 0.580 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.018 0.905 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.588 1.149 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.821 -0.347 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.165 -1.395 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.521 -1.833 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.680 -0.101 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.420 -1.108 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.857 -1.356 1.931 1.00 0.00 H new ATOM 994 N HIS A 61 -0.934 -1.121 -0.045 1.00 0.00 N ATOM 995 CA HIS A 61 -2.261 -1.674 -0.280 1.00 0.00 C ATOM 996 C HIS A 61 -2.208 -2.724 -1.378 1.00 0.00 C ATOM 997 O HIS A 61 -2.917 -3.727 -1.325 1.00 0.00 O ATOM 998 CB HIS A 61 -3.245 -0.561 -0.653 1.00 0.00 C ATOM 999 CG HIS A 61 -4.624 -1.054 -0.964 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.459 -0.432 -1.868 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.314 -2.117 -0.485 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.603 -1.090 -1.931 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.541 -2.115 -1.103 1.00 0.00 N ATOM 0 H HIS A 61 -0.791 -0.184 -0.422 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.607 -2.148 0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.301 0.152 0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.858 -0.021 -1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.965 -2.832 0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.446 -0.832 -2.555 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.284 -2.796 -0.947 1.00 0.00 H new ATOM 1012 N SER A 62 -1.353 -2.496 -2.368 1.00 0.00 N ATOM 1013 CA SER A 62 -1.205 -3.442 -3.465 1.00 0.00 C ATOM 1014 C SER A 62 -0.448 -4.680 -2.998 1.00 0.00 C ATOM 1015 O SER A 62 -0.618 -5.767 -3.550 1.00 0.00 O ATOM 1016 CB SER A 62 -0.475 -2.803 -4.649 1.00 0.00 C ATOM 1017 OG SER A 62 0.858 -2.469 -4.306 1.00 0.00 O ATOM 0 H SER A 62 -0.757 -1.671 -2.433 1.00 0.00 H new ATOM 0 HA SER A 62 -2.203 -3.734 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.475 -3.491 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.007 -1.907 -4.968 1.00 0.00 H new ATOM 0 HG SER A 62 0.855 -1.857 -3.540 1.00 0.00 H new ATOM 1023 N MET A 63 0.391 -4.509 -1.977 1.00 0.00 N ATOM 1024 CA MET A 63 1.169 -5.620 -1.444 1.00 0.00 C ATOM 1025 C MET A 63 0.269 -6.644 -0.755 1.00 0.00 C ATOM 1026 O MET A 63 0.506 -7.847 -0.845 1.00 0.00 O ATOM 1027 CB MET A 63 2.229 -5.110 -0.467 1.00 0.00 C ATOM 1028 CG MET A 63 3.639 -5.559 -0.817 1.00 0.00 C ATOM 1029 SD MET A 63 4.013 -7.210 -0.195 1.00 0.00 S ATOM 1030 CE MET A 63 5.791 -7.109 -0.014 1.00 0.00 C ATOM 0 H MET A 63 0.547 -3.617 -1.507 1.00 0.00 H new ATOM 0 HA MET A 63 1.666 -6.112 -2.281 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.198 -4.021 -0.445 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.984 -5.457 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.763 -5.546 -1.900 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.356 -4.848 -0.406 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.217 -8.112 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.207 -6.517 -0.829 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.034 -6.636 0.938 1.00 0.00 H new ATOM 1040 N ILE A 64 -0.766 -6.162 -0.068 1.00 0.00 N ATOM 1041 CA ILE A 64 -1.690 -7.050 0.630 1.00 0.00 C ATOM 1042 C ILE A 64 -2.486 -7.889 -0.357 1.00 0.00 C ATOM 1043 O ILE A 64 -2.776 -9.057 -0.102 1.00 0.00 O ATOM 1044 CB ILE A 64 -2.648 -6.264 1.540 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -3.072 -7.130 2.738 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -3.858 -5.745 0.764 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -4.237 -8.058 2.455 1.00 0.00 C ATOM 0 H ILE A 64 -0.983 -5.169 0.019 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.091 -7.713 1.255 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.120 -5.390 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.218 -7.726 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.337 -6.476 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.514 -5.194 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.522 -5.084 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.403 -6.586 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.471 -8.632 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.107 -7.471 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.971 -8.740 1.647 1.00 0.00 H new ATOM 1059 N ILE A 65 -2.819 -7.293 -1.494 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.559 -8.002 -2.526 1.00 0.00 C ATOM 1061 C ILE A 65 -2.744 -9.192 -2.992 1.00 0.00 C ATOM 1062 O ILE A 65 -3.266 -10.289 -3.189 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.863 -7.098 -3.736 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.241 -5.680 -3.287 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.970 -7.704 -4.585 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.227 -5.636 -2.137 1.00 0.00 C ATOM 0 H ILE A 65 -2.590 -6.326 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.508 -8.325 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.959 -7.027 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.335 -5.150 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.665 -5.143 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.173 -7.054 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.658 -8.685 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.873 -7.809 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.441 -4.598 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.150 -6.136 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.799 -6.142 -1.272 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.446 -8.964 -3.128 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.528 -10.012 -3.526 1.00 0.00 C ATOM 1080 C GLU A 66 -0.172 -10.857 -2.308 1.00 0.00 C ATOM 1081 O GLU A 66 0.286 -11.991 -2.438 1.00 0.00 O ATOM 1082 CB GLU A 66 0.737 -9.413 -4.144 1.00 0.00 C ATOM 1083 CG GLU A 66 0.675 -9.297 -5.658 1.00 0.00 C ATOM 1084 CD GLU A 66 1.114 -7.935 -6.158 1.00 0.00 C ATOM 1085 OE1 GLU A 66 2.282 -7.562 -5.918 1.00 0.00 O ATOM 1086 OE2 GLU A 66 0.290 -7.240 -6.789 1.00 0.00 O ATOM 0 H GLU A 66 -1.007 -8.058 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.007 -10.641 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.907 -8.424 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.593 -10.029 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.308 -10.065 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.344 -9.491 -5.992 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.399 -10.293 -1.116 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.112 -11.001 0.125 1.00 0.00 C ATOM 1095 C TYR A 67 -1.229 -11.981 0.457 1.00 0.00 C ATOM 1096 O TYR A 67 -0.980 -13.071 0.972 1.00 0.00 O ATOM 1097 CB TYR A 67 0.069 -10.013 1.276 1.00 0.00 C ATOM 1098 CG TYR A 67 0.750 -10.610 2.487 1.00 0.00 C ATOM 1099 CD1 TYR A 67 0.145 -11.623 3.220 1.00 0.00 C ATOM 1100 CD2 TYR A 67 2.000 -10.163 2.896 1.00 0.00 C ATOM 1101 CE1 TYR A 67 0.764 -12.171 4.327 1.00 0.00 C ATOM 1102 CE2 TYR A 67 2.626 -10.706 4.001 1.00 0.00 C ATOM 1103 CZ TYR A 67 2.005 -11.710 4.713 1.00 0.00 C ATOM 1104 OH TYR A 67 2.624 -12.254 5.814 1.00 0.00 O ATOM 0 H TYR A 67 -0.778 -9.354 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 67 0.814 -11.559 -0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.652 -9.162 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.908 -9.630 1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.826 -11.988 2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.491 -9.378 2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.278 -12.956 4.887 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.597 -10.346 4.306 1.00 0.00 H new ATOM 0 HH TYR A 67 3.492 -11.819 5.950 1.00 0.00 H new ATOM 1114 N ARG A 68 -2.463 -11.586 0.160 1.00 0.00 N ATOM 1115 CA ARG A 68 -3.618 -12.432 0.430 1.00 0.00 C ATOM 1116 C ARG A 68 -3.775 -13.496 -0.652 1.00 0.00 C ATOM 1117 O ARG A 68 -4.304 -14.577 -0.399 1.00 0.00 O ATOM 1118 CB ARG A 68 -4.890 -11.587 0.525 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.244 -10.868 -0.766 1.00 0.00 C ATOM 1120 CD ARG A 68 -6.240 -11.664 -1.593 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.599 -11.555 -1.068 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.677 -12.009 -1.703 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.560 -12.601 -2.885 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -9.876 -11.870 -1.155 1.00 0.00 N ATOM 0 H ARG A 68 -2.688 -10.687 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.456 -12.932 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.722 -12.230 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.768 -10.850 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.662 -9.888 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.339 -10.699 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.220 -11.310 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.941 -12.712 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.729 -11.105 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.640 -12.710 -3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.390 -12.947 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.972 -11.415 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.702 -12.218 -1.641 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.307 -13.184 -1.856 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.395 -14.119 -2.970 1.00 0.00 C ATOM 1140 C GLU A 69 -2.215 -15.086 -2.962 1.00 0.00 C ATOM 1141 O GLU A 69 -2.296 -16.177 -3.522 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.447 -13.362 -4.299 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.596 -13.789 -5.198 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.251 -13.689 -6.672 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -3.072 -13.910 -7.022 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -5.158 -13.387 -7.474 1.00 0.00 O ATOM 0 H GLU A 69 -2.864 -12.294 -2.084 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.313 -14.696 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.533 -12.294 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.507 -13.511 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.874 -14.816 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.466 -13.167 -4.989 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.129 -14.689 -2.308 1.00 0.00 N ATOM 1154 CA LYS A 70 0.050 -15.528 -2.210 1.00 0.00 C ATOM 1155 C LYS A 70 -0.050 -16.390 -0.966 1.00 0.00 C ATOM 1156 O LYS A 70 0.303 -17.560 -0.980 1.00 0.00 O ATOM 1157 CB LYS A 70 1.323 -14.676 -2.173 1.00 0.00 C ATOM 1158 CG LYS A 70 1.542 -13.955 -0.852 1.00 0.00 C ATOM 1159 CD LYS A 70 2.794 -13.093 -0.889 1.00 0.00 C ATOM 1160 CE LYS A 70 4.001 -13.834 -0.335 1.00 0.00 C ATOM 1161 NZ LYS A 70 4.583 -13.142 0.849 1.00 0.00 N ATOM 0 H LYS A 70 -1.045 -13.788 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 70 0.104 -16.169 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.183 -15.315 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.279 -13.939 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.676 -13.332 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.625 -14.685 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.995 -12.786 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.628 -12.184 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.709 -14.846 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.760 -13.924 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.403 -13.679 1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.885 -12.185 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.867 -13.079 1.601 1.00 0.00 H new ATOM 1175 N GLN A 71 -0.554 -15.800 0.113 1.00 0.00 N ATOM 1176 CA GLN A 71 -0.716 -16.527 1.360 1.00 0.00 C ATOM 1177 C GLN A 71 -1.878 -17.497 1.258 1.00 0.00 C ATOM 1178 O GLN A 71 -1.888 -18.530 1.917 1.00 0.00 O ATOM 1179 CB GLN A 71 -0.934 -15.560 2.526 1.00 0.00 C ATOM 1180 CG GLN A 71 -1.091 -16.255 3.869 1.00 0.00 C ATOM 1181 CD GLN A 71 -0.572 -15.419 5.022 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -1.346 -14.912 5.833 1.00 0.00 O ATOM 1183 NE2 GLN A 71 0.746 -15.272 5.099 1.00 0.00 N ATOM 0 H GLN A 71 -0.855 -14.826 0.146 1.00 0.00 H new ATOM 0 HA GLN A 71 0.197 -17.092 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.091 -14.871 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.823 -14.961 2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.144 -16.483 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.559 -17.206 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.350 -15.711 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.154 -14.720 5.853 1.00 0.00 H new ATOM 1192 N LYS A 72 -2.852 -17.180 0.417 1.00 0.00 N ATOM 1193 CA LYS A 72 -3.986 -18.067 0.248 1.00 0.00 C ATOM 1194 C LYS A 72 -3.715 -19.062 -0.869 1.00 0.00 C ATOM 1195 O LYS A 72 -4.277 -20.154 -0.892 1.00 0.00 O ATOM 1196 CB LYS A 72 -5.268 -17.279 -0.028 1.00 0.00 C ATOM 1197 CG LYS A 72 -6.534 -18.014 0.385 1.00 0.00 C ATOM 1198 CD LYS A 72 -7.246 -17.307 1.528 1.00 0.00 C ATOM 1199 CE LYS A 72 -6.354 -17.185 2.753 1.00 0.00 C ATOM 1200 NZ LYS A 72 -6.216 -18.482 3.472 1.00 0.00 N ATOM 0 H LYS A 72 -2.878 -16.331 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.129 -18.617 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.221 -16.327 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.322 -17.049 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.206 -18.091 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.283 -19.031 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.558 -16.314 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.151 -17.856 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.368 -16.831 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.767 -16.437 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.341 -18.328 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.939 -19.147 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.271 -18.878 3.295 1.00 0.00 H new ATOM 1214 N SER A 73 -2.831 -18.692 -1.781 1.00 0.00 N ATOM 1215 CA SER A 73 -2.470 -19.574 -2.872 1.00 0.00 C ATOM 1216 C SER A 73 -1.288 -20.432 -2.454 1.00 0.00 C ATOM 1217 O SER A 73 -1.191 -21.602 -2.826 1.00 0.00 O ATOM 1218 CB SER A 73 -2.123 -18.772 -4.121 1.00 0.00 C ATOM 1219 OG SER A 73 -1.841 -19.625 -5.217 1.00 0.00 O ATOM 0 H SER A 73 -2.354 -17.791 -1.786 1.00 0.00 H new ATOM 0 HA SER A 73 -3.320 -20.215 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.953 -18.112 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.260 -18.137 -3.920 1.00 0.00 H new ATOM 0 HG SER A 73 -1.623 -19.084 -6.005 1.00 0.00 H new ATOM 1225 N GLU A 74 -0.390 -19.841 -1.667 1.00 0.00 N ATOM 1226 CA GLU A 74 0.784 -20.562 -1.190 1.00 0.00 C ATOM 1227 C GLU A 74 0.494 -21.275 0.128 1.00 0.00 C ATOM 1228 O GLU A 74 0.945 -22.403 0.333 1.00 0.00 O ATOM 1229 CB GLU A 74 1.979 -19.620 -1.020 1.00 0.00 C ATOM 1230 CG GLU A 74 2.308 -18.819 -2.271 1.00 0.00 C ATOM 1231 CD GLU A 74 3.525 -19.353 -3.000 1.00 0.00 C ATOM 1232 OE1 GLU A 74 3.362 -20.255 -3.848 1.00 0.00 O ATOM 1233 OE2 GLU A 74 4.643 -18.867 -2.724 1.00 0.00 O ATOM 0 H GLU A 74 -0.453 -18.874 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 74 1.034 -21.309 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.773 -18.930 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.853 -20.204 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.450 -18.834 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.481 -17.778 -1.997 1.00 0.00 H new ATOM 1240 N ARG A 75 -0.265 -20.634 1.021 1.00 0.00 N ATOM 1241 CA ARG A 75 -0.595 -21.257 2.296 1.00 0.00 C ATOM 1242 C ARG A 75 -1.898 -22.031 2.180 1.00 0.00 C ATOM 1243 O ARG A 75 -2.082 -23.060 2.830 1.00 0.00 O ATOM 1244 CB ARG A 75 -0.689 -20.216 3.415 1.00 0.00 C ATOM 1245 CG ARG A 75 -0.084 -20.681 4.728 1.00 0.00 C ATOM 1246 CD ARG A 75 -0.019 -19.552 5.744 1.00 0.00 C ATOM 1247 NE ARG A 75 1.315 -18.962 5.823 1.00 0.00 N ATOM 1248 CZ ARG A 75 1.744 -18.234 6.850 1.00 0.00 C ATOM 1249 NH1 ARG A 75 0.948 -18.003 7.888 1.00 0.00 N ATOM 1250 NH2 ARG A 75 2.973 -17.735 6.842 1.00 0.00 N ATOM 0 H ARG A 75 -0.654 -19.701 0.885 1.00 0.00 H new ATOM 0 HA ARG A 75 0.207 -21.950 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.185 -19.304 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.737 -19.962 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.677 -21.502 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.919 -21.070 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.741 -18.781 5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.307 -19.930 6.725 1.00 0.00 H new ATOM 0 HE ARG A 75 1.955 -19.118 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.002 -18.385 7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.283 -17.444 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.589 -17.910 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.302 -17.177 7.630 1.00 0.00 H new ATOM 1264 N ALA A 76 -2.798 -21.531 1.340 1.00 0.00 N ATOM 1265 CA ALA A 76 -4.087 -22.186 1.136 1.00 0.00 C ATOM 1266 C ALA A 76 -4.181 -22.787 -0.263 1.00 0.00 C ATOM 1267 O ALA A 76 -5.312 -22.915 -0.777 1.00 0.00 O ATOM 1268 CB ALA A 76 -5.228 -21.208 1.374 1.00 0.00 C ATOM 1269 OXT ALA A 76 -3.122 -23.125 -0.833 1.00 0.00 O ATOM 0 H ALA A 76 -2.662 -20.681 0.793 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.170 -22.998 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.180 -21.715 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.180 -20.835 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.143 -20.373 0.679 1.00 0.00 H new