USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 817 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 HIS : no HE2:sc= 0.917 K(o=0.69,f=-12!) USER MOD Set 1.2: A 80 MET CE :methyl 165:sc= -0.232 (180deg=-1.33!) USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= -0.0878 F(o=-12,f=-9.4) USER MOD Set 2.2: A 74 TYR OH : rot 155:sc= -9.27! USER MOD Set 3.1: A 40 SER OG : rot 148:sc= -0.392 USER MOD Set 3.2: A 52 ASN : amide:sc= -2.01! C(o=-3.5!,f=-6.5!) USER MOD Set 3.3: A 56 ASN :FLIP amide:sc= -1.08 F(o=-11!,f=-3.5) USER MOD Set 4.1: A 49 THR OG1 : rot 180:sc= -0.0231 USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= -0.0418 USER MOD Set 5.1: A 19 THR OG1 : rot -93:sc= 0.234 USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= 0.872 F(o=-1.9!,f=1.1) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -38:sc= 0.403 USER MOD Single : A -2 LYS NZ :NH3+ -153:sc= -0.835 (180deg=-1.01) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -32:sc= 0.726 USER MOD Single : A 14 CYS SG : rot -115:sc= -2.76! USER MOD Single : A 16 GLN : amide:sc=-0.00154 K(o=-0.0015,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.03 K(o=1,f=-6!) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.343) USER MOD Single : A 26 HIS : no HE2:sc= -7.35! C(o=-7.3!,f=-7.8!) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= -0.0746 (180deg=-0.608) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 39 HIS : no HD1:sc= -1.83 X(o=-1.8,f=-2.1!) USER MOD Single : A 42 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.2) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.143) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00852) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -167:sc= -3.9! (180deg=-4.66!) USER MOD Single : A 65 SER OG : rot -42:sc= 0.924 USER MOD Single : A 69 THR OG1 : rot 90:sc= -4.81! USER MOD Single : A 70 ASN : amide:sc= -0.0398 K(o=-0.04,f=-0.71) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -0.452 (180deg=-0.763) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.123 K(o=0.12,f=-1) USER MOD Single : A 96 THR OG1 : rot 87:sc= 0.917 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= -0.475 (180deg=-0.75!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -14.942 -6.451 2.489 1.00 0.00 N ATOM 33 CA PHE A -3 -13.796 -6.041 3.349 1.00 0.00 C ATOM 34 C PHE A -3 -14.216 -6.049 4.818 1.00 0.00 C ATOM 35 O PHE A -3 -15.232 -5.495 5.189 1.00 0.00 O ATOM 36 CB PHE A -3 -13.343 -4.630 2.965 1.00 0.00 C ATOM 37 CG PHE A -3 -12.216 -4.206 3.878 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.903 -4.617 3.613 1.00 0.00 C ATOM 39 CD2 PHE A -3 -12.485 -3.407 4.996 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.862 -4.226 4.464 1.00 0.00 C ATOM 41 CE2 PHE A -3 -11.445 -3.018 5.848 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.135 -3.428 5.582 1.00 0.00 C ATOM 0 H1 PHE A -3 -14.648 -6.443 1.492 1.00 0.00 H new ATOM 0 H2 PHE A -3 -15.248 -7.410 2.752 1.00 0.00 H new ATOM 0 H3 PHE A -3 -15.731 -5.787 2.623 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.976 -6.744 3.203 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.013 -4.611 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.176 -3.932 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -10.694 -5.235 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -13.497 -3.090 5.201 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -8.849 -4.540 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -11.654 -2.402 6.710 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.332 -3.129 6.240 1.00 0.00 H new ATOM 52 N LYS A -2 -13.433 -6.664 5.661 1.00 0.00 N ATOM 53 CA LYS A -2 -13.776 -6.697 7.110 1.00 0.00 C ATOM 54 C LYS A -2 -13.275 -5.411 7.767 1.00 0.00 C ATOM 55 O LYS A -2 -12.203 -4.928 7.460 1.00 0.00 O ATOM 56 CB LYS A -2 -13.109 -7.906 7.771 1.00 0.00 C ATOM 57 CG LYS A -2 -13.626 -8.056 9.203 1.00 0.00 C ATOM 58 CD LYS A -2 -13.042 -9.325 9.828 1.00 0.00 C ATOM 59 CE LYS A -2 -11.535 -9.153 10.025 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.056 -10.117 11.057 1.00 0.00 N ATOM 0 H LYS A -2 -12.570 -7.145 5.408 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.856 -6.777 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -13.322 -8.810 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.026 -7.780 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.346 -7.185 9.795 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -14.715 -8.106 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.523 -9.526 10.785 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.239 -10.183 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.013 -9.322 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.312 -8.132 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.207 -9.736 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.802 -10.265 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.825 -11.024 10.604 1.00 0.00 H new ATOM 74 N ALA A -1 -14.044 -4.848 8.662 1.00 0.00 N ATOM 75 CA ALA A -1 -13.615 -3.588 9.336 1.00 0.00 C ATOM 76 C ALA A -1 -12.114 -3.643 9.633 1.00 0.00 C ATOM 77 O ALA A -1 -11.459 -2.627 9.755 1.00 0.00 O ATOM 78 CB ALA A -1 -14.387 -3.425 10.646 1.00 0.00 C ATOM 0 H ALA A -1 -14.952 -5.208 8.955 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.821 -2.741 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.075 -2.505 11.140 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.455 -3.379 10.435 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.182 -4.274 11.298 1.00 0.00 H new ATOM 84 N GLY A 1 -11.566 -4.823 9.741 1.00 0.00 N ATOM 85 CA GLY A 1 -10.108 -4.949 10.025 1.00 0.00 C ATOM 86 C GLY A 1 -9.743 -4.113 11.254 1.00 0.00 C ATOM 87 O GLY A 1 -10.530 -3.322 11.733 1.00 0.00 O ATOM 0 H GLY A 1 -12.066 -5.707 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.851 -5.994 10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.530 -4.616 9.163 1.00 0.00 H new ATOM 91 N SER A 2 -8.550 -4.278 11.761 1.00 0.00 N ATOM 92 CA SER A 2 -8.125 -3.490 12.954 1.00 0.00 C ATOM 93 C SER A 2 -6.831 -2.744 12.625 1.00 0.00 C ATOM 94 O SER A 2 -5.857 -3.328 12.203 1.00 0.00 O ATOM 95 CB SER A 2 -7.885 -4.433 14.133 1.00 0.00 C ATOM 96 OG SER A 2 -7.589 -3.668 15.294 1.00 0.00 O ATOM 0 H SER A 2 -7.850 -4.926 11.399 1.00 0.00 H new ATOM 0 HA SER A 2 -8.905 -2.776 13.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.767 -5.050 14.305 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.061 -5.110 13.910 1.00 0.00 H new ATOM 0 HG SER A 2 -7.436 -4.270 16.052 1.00 0.00 H new ATOM 102 N ALA A 3 -6.815 -1.458 12.813 1.00 0.00 N ATOM 103 CA ALA A 3 -5.586 -0.672 12.508 1.00 0.00 C ATOM 104 C ALA A 3 -4.491 -0.993 13.528 1.00 0.00 C ATOM 105 O ALA A 3 -3.321 -0.798 13.272 1.00 0.00 O ATOM 106 CB ALA A 3 -5.911 0.821 12.564 1.00 0.00 C ATOM 0 H ALA A 3 -7.601 -0.913 13.166 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.233 -0.935 11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.013 1.397 12.341 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.683 1.053 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.269 1.078 13.561 1.00 0.00 H new ATOM 112 N LYS A 4 -4.855 -1.468 14.688 1.00 0.00 N ATOM 113 CA LYS A 4 -3.821 -1.777 15.718 1.00 0.00 C ATOM 114 C LYS A 4 -2.806 -2.780 15.164 1.00 0.00 C ATOM 115 O LYS A 4 -1.614 -2.545 15.188 1.00 0.00 O ATOM 116 CB LYS A 4 -4.499 -2.373 16.954 1.00 0.00 C ATOM 117 CG LYS A 4 -5.427 -1.330 17.580 1.00 0.00 C ATOM 118 CD LYS A 4 -6.020 -1.888 18.877 1.00 0.00 C ATOM 119 CE LYS A 4 -7.057 -0.907 19.427 1.00 0.00 C ATOM 120 NZ LYS A 4 -8.416 -1.315 18.971 1.00 0.00 N ATOM 0 H LYS A 4 -5.818 -1.655 14.967 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.302 -0.857 15.987 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.067 -3.261 16.678 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.747 -2.688 17.678 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.875 -0.413 17.785 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.225 -1.073 16.884 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.483 -2.857 18.690 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.230 -2.048 19.611 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.017 -0.891 20.516 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.835 0.104 19.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.122 -0.649 19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.450 -1.309 17.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.626 -2.272 19.319 1.00 0.00 H new ATOM 134 N LYS A 5 -3.259 -3.900 14.665 1.00 0.00 N ATOM 135 CA LYS A 5 -2.303 -4.902 14.115 1.00 0.00 C ATOM 136 C LYS A 5 -1.640 -4.342 12.856 1.00 0.00 C ATOM 137 O LYS A 5 -0.433 -4.353 12.719 1.00 0.00 O ATOM 138 CB LYS A 5 -3.054 -6.189 13.771 1.00 0.00 C ATOM 139 CG LYS A 5 -3.602 -6.818 15.054 1.00 0.00 C ATOM 140 CD LYS A 5 -4.237 -8.171 14.730 1.00 0.00 C ATOM 141 CE LYS A 5 -4.875 -8.750 15.993 1.00 0.00 C ATOM 142 NZ LYS A 5 -4.764 -10.236 15.970 1.00 0.00 N ATOM 0 H LYS A 5 -4.243 -4.162 14.615 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.537 -5.118 14.859 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.870 -5.973 13.082 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.387 -6.888 13.267 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.799 -6.946 15.780 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.341 -6.158 15.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.990 -8.054 13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.482 -8.856 14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.380 -8.351 16.879 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.922 -8.454 16.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.198 -10.630 16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.255 -10.608 15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.761 -10.509 15.933 1.00 0.00 H new ATOM 156 N GLY A 6 -2.423 -3.852 11.937 1.00 0.00 N ATOM 157 CA GLY A 6 -1.848 -3.288 10.685 1.00 0.00 C ATOM 158 C GLY A 6 -0.965 -2.082 11.013 1.00 0.00 C ATOM 159 O GLY A 6 -0.004 -1.801 10.325 1.00 0.00 O ATOM 0 H GLY A 6 -3.441 -3.818 11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.262 -4.049 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.649 -2.990 10.009 1.00 0.00 H new ATOM 163 N ALA A 7 -1.288 -1.361 12.052 1.00 0.00 N ATOM 164 CA ALA A 7 -0.470 -0.167 12.409 1.00 0.00 C ATOM 165 C ALA A 7 0.979 -0.585 12.654 1.00 0.00 C ATOM 166 O ALA A 7 1.902 0.027 12.154 1.00 0.00 O ATOM 167 CB ALA A 7 -1.030 0.475 13.680 1.00 0.00 C ATOM 0 H ALA A 7 -2.080 -1.546 12.667 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.507 0.549 11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.432 1.348 13.941 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.062 0.781 13.509 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.996 -0.246 14.497 1.00 0.00 H new ATOM 173 N THR A 8 1.191 -1.622 13.413 1.00 0.00 N ATOM 174 CA THR A 8 2.582 -2.070 13.678 1.00 0.00 C ATOM 175 C THR A 8 3.146 -2.744 12.427 1.00 0.00 C ATOM 176 O THR A 8 4.294 -2.557 12.076 1.00 0.00 O ATOM 177 CB THR A 8 2.579 -3.063 14.842 1.00 0.00 C ATOM 178 OG1 THR A 8 1.862 -4.230 14.465 1.00 0.00 O ATOM 179 CG2 THR A 8 1.911 -2.421 16.060 1.00 0.00 C ATOM 0 H THR A 8 0.461 -2.177 13.860 1.00 0.00 H new ATOM 0 HA THR A 8 3.202 -1.211 13.935 1.00 0.00 H new ATOM 0 HB THR A 8 3.605 -3.333 15.093 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.090 -3.977 13.917 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.909 -3.129 16.889 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.463 -1.526 16.348 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.885 -2.150 15.812 1.00 0.00 H new ATOM 187 N LEU A 9 2.348 -3.519 11.741 1.00 0.00 N ATOM 188 CA LEU A 9 2.854 -4.183 10.508 1.00 0.00 C ATOM 189 C LEU A 9 3.292 -3.097 9.532 1.00 0.00 C ATOM 190 O LEU A 9 4.316 -3.195 8.885 1.00 0.00 O ATOM 191 CB LEU A 9 1.736 -5.018 9.875 1.00 0.00 C ATOM 192 CG LEU A 9 2.299 -5.821 8.699 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.892 -7.135 9.216 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.178 -6.125 7.704 1.00 0.00 C ATOM 0 H LEU A 9 1.377 -3.719 11.980 1.00 0.00 H new ATOM 0 HA LEU A 9 3.690 -4.839 10.749 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.307 -5.692 10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.931 -4.367 9.532 1.00 0.00 H new ATOM 0 HG LEU A 9 3.077 -5.241 8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.293 -7.707 8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.692 -6.919 9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.114 -7.715 9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.579 -6.697 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.399 -6.705 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.755 -5.190 7.335 1.00 0.00 H new ATOM 206 N PHE A 10 2.523 -2.051 9.439 1.00 0.00 N ATOM 207 CA PHE A 10 2.881 -0.932 8.528 1.00 0.00 C ATOM 208 C PHE A 10 4.210 -0.340 8.994 1.00 0.00 C ATOM 209 O PHE A 10 5.113 -0.095 8.214 1.00 0.00 O ATOM 210 CB PHE A 10 1.787 0.136 8.607 1.00 0.00 C ATOM 211 CG PHE A 10 2.034 1.199 7.569 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.619 0.998 6.247 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.678 2.387 7.928 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.854 1.987 5.284 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.913 3.373 6.965 1.00 0.00 C ATOM 216 CZ PHE A 10 2.502 3.173 5.644 1.00 0.00 C ATOM 0 H PHE A 10 1.655 -1.922 9.959 1.00 0.00 H new ATOM 0 HA PHE A 10 2.972 -1.284 7.501 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.810 -0.320 8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.773 0.582 9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.119 0.082 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.994 2.543 8.949 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.535 1.834 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.412 4.290 7.242 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.685 3.935 4.901 1.00 0.00 H new ATOM 226 N LYS A 11 4.329 -0.115 10.274 1.00 0.00 N ATOM 227 CA LYS A 11 5.582 0.457 10.835 1.00 0.00 C ATOM 228 C LYS A 11 6.746 -0.511 10.608 1.00 0.00 C ATOM 229 O LYS A 11 7.866 -0.110 10.362 1.00 0.00 O ATOM 230 CB LYS A 11 5.400 0.667 12.340 1.00 0.00 C ATOM 231 CG LYS A 11 6.551 1.518 12.881 1.00 0.00 C ATOM 232 CD LYS A 11 6.401 1.678 14.395 1.00 0.00 C ATOM 233 CE LYS A 11 7.447 2.668 14.909 1.00 0.00 C ATOM 234 NZ LYS A 11 7.093 3.092 16.292 1.00 0.00 N ATOM 0 H LYS A 11 3.601 -0.306 10.962 1.00 0.00 H new ATOM 0 HA LYS A 11 5.799 1.405 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.447 1.158 12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.374 -0.295 12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.506 1.047 12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.551 2.496 12.400 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.399 2.033 14.636 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.525 0.713 14.887 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.435 2.207 14.900 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.495 3.536 14.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.804 3.765 16.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.158 3.548 16.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.069 2.260 16.915 1.00 0.00 H new ATOM 248 N THR A 12 6.489 -1.784 10.724 1.00 0.00 N ATOM 249 CA THR A 12 7.576 -2.792 10.556 1.00 0.00 C ATOM 250 C THR A 12 8.038 -2.891 9.098 1.00 0.00 C ATOM 251 O THR A 12 9.197 -3.148 8.836 1.00 0.00 O ATOM 252 CB THR A 12 7.064 -4.160 11.013 1.00 0.00 C ATOM 253 OG1 THR A 12 6.019 -4.585 10.148 1.00 0.00 O ATOM 254 CG2 THR A 12 6.536 -4.058 12.445 1.00 0.00 C ATOM 0 H THR A 12 5.568 -2.173 10.929 1.00 0.00 H new ATOM 0 HA THR A 12 8.427 -2.476 11.159 1.00 0.00 H new ATOM 0 HB THR A 12 7.879 -4.883 10.981 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.522 -3.804 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.172 -5.033 12.769 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.339 -3.733 13.106 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.721 -3.336 12.482 1.00 0.00 H new ATOM 262 N ARG A 13 7.164 -2.719 8.142 1.00 0.00 N ATOM 263 CA ARG A 13 7.616 -2.847 6.725 1.00 0.00 C ATOM 264 C ARG A 13 6.799 -1.948 5.792 1.00 0.00 C ATOM 265 O ARG A 13 6.216 -2.415 4.834 1.00 0.00 O ATOM 266 CB ARG A 13 7.461 -4.301 6.275 1.00 0.00 C ATOM 267 CG ARG A 13 8.426 -5.193 7.060 1.00 0.00 C ATOM 268 CD ARG A 13 8.380 -6.613 6.493 1.00 0.00 C ATOM 269 NE ARG A 13 9.172 -7.522 7.370 1.00 0.00 N ATOM 270 CZ ARG A 13 8.920 -8.803 7.379 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.973 -9.288 6.624 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.617 -9.600 8.142 1.00 0.00 N ATOM 0 H ARG A 13 6.177 -2.500 8.275 1.00 0.00 H new ATOM 0 HA ARG A 13 8.660 -2.538 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.435 -4.633 6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.662 -4.384 5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.439 -4.796 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.154 -5.202 8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.348 -6.958 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.782 -6.625 5.480 1.00 0.00 H new ATOM 0 HE ARG A 13 9.911 -7.143 7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.429 -8.666 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.777 -10.289 6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.359 -9.222 8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.420 -10.601 8.149 1.00 0.00 H new ATOM 286 N CYS A 14 6.760 -0.667 6.037 1.00 0.00 N ATOM 287 CA CYS A 14 5.990 0.225 5.124 1.00 0.00 C ATOM 288 C CYS A 14 6.222 1.691 5.498 1.00 0.00 C ATOM 289 O CYS A 14 6.496 2.519 4.652 1.00 0.00 O ATOM 290 CB CYS A 14 4.498 -0.099 5.224 1.00 0.00 C ATOM 291 SG CYS A 14 3.670 0.418 3.696 1.00 0.00 S ATOM 0 H CYS A 14 7.222 -0.203 6.820 1.00 0.00 H new ATOM 0 HA CYS A 14 6.330 0.061 4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.356 -1.168 5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.059 0.413 6.080 1.00 0.00 H new ATOM 0 HG CYS A 14 2.829 1.373 3.960 1.00 0.00 H new ATOM 296 N LEU A 15 6.107 2.022 6.751 1.00 0.00 N ATOM 297 CA LEU A 15 6.313 3.439 7.169 1.00 0.00 C ATOM 298 C LEU A 15 7.710 3.908 6.754 1.00 0.00 C ATOM 299 O LEU A 15 7.901 5.043 6.363 1.00 0.00 O ATOM 300 CB LEU A 15 6.164 3.548 8.690 1.00 0.00 C ATOM 301 CG LEU A 15 6.283 5.012 9.137 1.00 0.00 C ATOM 302 CD1 LEU A 15 4.987 5.765 8.833 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.539 5.051 10.643 1.00 0.00 C ATOM 0 H LEU A 15 5.879 1.375 7.506 1.00 0.00 H new ATOM 0 HA LEU A 15 5.568 4.069 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.199 3.145 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.930 2.948 9.181 1.00 0.00 H new ATOM 0 HG LEU A 15 7.105 5.485 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.085 6.802 9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.791 5.735 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.160 5.296 9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.625 6.087 10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.710 4.573 11.165 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.464 4.521 10.869 1.00 0.00 H new ATOM 315 N GLN A 16 8.686 3.052 6.840 1.00 0.00 N ATOM 316 CA GLN A 16 10.065 3.460 6.455 1.00 0.00 C ATOM 317 C GLN A 16 10.076 3.948 5.005 1.00 0.00 C ATOM 318 O GLN A 16 10.810 4.849 4.651 1.00 0.00 O ATOM 319 CB GLN A 16 11.004 2.260 6.595 1.00 0.00 C ATOM 320 CG GLN A 16 11.081 1.841 8.063 1.00 0.00 C ATOM 321 CD GLN A 16 11.986 0.616 8.198 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.282 -0.045 7.222 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.442 0.282 9.374 1.00 0.00 N ATOM 0 H GLN A 16 8.590 2.088 7.160 1.00 0.00 H new ATOM 0 HA GLN A 16 10.398 4.267 7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.644 1.430 5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.997 2.517 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.470 2.661 8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.084 1.613 8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.194 0.836 10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.047 -0.533 9.474 1.00 0.00 H new ATOM 332 N CYS A 17 9.277 3.356 4.162 1.00 0.00 N ATOM 333 CA CYS A 17 9.256 3.783 2.733 1.00 0.00 C ATOM 334 C CYS A 17 8.113 4.771 2.481 1.00 0.00 C ATOM 335 O CYS A 17 8.278 5.756 1.790 1.00 0.00 O ATOM 336 CB CYS A 17 9.058 2.558 1.842 1.00 0.00 C ATOM 337 SG CYS A 17 10.496 1.467 1.978 1.00 0.00 S ATOM 0 H CYS A 17 8.639 2.597 4.399 1.00 0.00 H new ATOM 0 HA CYS A 17 10.203 4.270 2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.155 2.024 2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.921 2.868 0.806 1.00 0.00 H new ATOM 0 HG CYS A 17 10.323 0.425 1.220 1.00 0.00 H new ATOM 342 N HIS A 18 6.950 4.510 3.020 1.00 0.00 N ATOM 343 CA HIS A 18 5.797 5.431 2.789 1.00 0.00 C ATOM 344 C HIS A 18 5.497 6.228 4.059 1.00 0.00 C ATOM 345 O HIS A 18 5.254 5.673 5.112 1.00 0.00 O ATOM 346 CB HIS A 18 4.566 4.606 2.405 1.00 0.00 C ATOM 347 CG HIS A 18 4.741 4.040 1.024 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.555 4.798 -0.129 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.056 2.781 0.596 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.755 3.982 -1.185 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.064 2.749 -0.790 1.00 0.00 N ATOM 0 H HIS A 18 6.749 3.701 3.608 1.00 0.00 H new ATOM 0 HA HIS A 18 6.047 6.125 1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.420 3.799 3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.673 5.230 2.441 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.312 5.788 -0.168 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.267 1.939 1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.675 4.290 -2.217 1.00 0.00 H new ATOM 359 N THR A 19 5.504 7.531 3.965 1.00 0.00 N ATOM 360 CA THR A 19 5.213 8.368 5.164 1.00 0.00 C ATOM 361 C THR A 19 3.700 8.556 5.299 1.00 0.00 C ATOM 362 O THR A 19 3.188 8.807 6.372 1.00 0.00 O ATOM 363 CB THR A 19 5.887 9.731 5.004 1.00 0.00 C ATOM 364 OG1 THR A 19 5.273 10.440 3.937 1.00 0.00 O ATOM 365 CG2 THR A 19 7.372 9.531 4.699 1.00 0.00 C ATOM 0 H THR A 19 5.699 8.051 3.110 1.00 0.00 H new ATOM 0 HA THR A 19 5.597 7.875 6.057 1.00 0.00 H new ATOM 0 HB THR A 19 5.780 10.302 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.768 10.275 3.107 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.854 10.502 4.585 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.842 8.987 5.518 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.480 8.961 3.776 1.00 0.00 H new ATOM 373 N VAL A 20 2.980 8.432 4.216 1.00 0.00 N ATOM 374 CA VAL A 20 1.500 8.598 4.274 1.00 0.00 C ATOM 375 C VAL A 20 1.142 9.993 4.793 1.00 0.00 C ATOM 376 O VAL A 20 -0.016 10.347 4.891 1.00 0.00 O ATOM 377 CB VAL A 20 0.903 7.548 5.210 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.577 7.350 4.882 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.645 6.225 5.027 1.00 0.00 C ATOM 0 H VAL A 20 3.355 8.222 3.291 1.00 0.00 H new ATOM 0 HA VAL A 20 1.095 8.474 3.270 1.00 0.00 H new ATOM 0 HB VAL A 20 1.003 7.884 6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.001 6.601 5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.108 8.293 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.679 7.015 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.221 5.475 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.544 5.891 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.700 6.364 5.262 1.00 0.00 H new ATOM 389 N GLU A 21 2.117 10.792 5.132 1.00 0.00 N ATOM 390 CA GLU A 21 1.802 12.156 5.643 1.00 0.00 C ATOM 391 C GLU A 21 1.920 13.169 4.503 1.00 0.00 C ATOM 392 O GLU A 21 2.946 13.282 3.865 1.00 0.00 O ATOM 393 CB GLU A 21 2.789 12.525 6.754 1.00 0.00 C ATOM 394 CG GLU A 21 2.378 13.860 7.378 1.00 0.00 C ATOM 395 CD GLU A 21 3.419 14.282 8.417 1.00 0.00 C ATOM 396 OE1 GLU A 21 4.385 13.555 8.588 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.234 15.323 9.023 1.00 0.00 O ATOM 0 H GLU A 21 3.109 10.562 5.078 1.00 0.00 H new ATOM 0 HA GLU A 21 0.786 12.169 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.805 11.745 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.799 12.596 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.291 14.623 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.398 13.768 7.847 1.00 0.00 H new ATOM 404 N LYS A 22 0.876 13.913 4.247 1.00 0.00 N ATOM 405 CA LYS A 22 0.938 14.920 3.152 1.00 0.00 C ATOM 406 C LYS A 22 1.903 16.038 3.551 1.00 0.00 C ATOM 407 O LYS A 22 2.687 16.511 2.752 1.00 0.00 O ATOM 408 CB LYS A 22 -0.461 15.499 2.906 1.00 0.00 C ATOM 409 CG LYS A 22 -0.884 16.361 4.098 1.00 0.00 C ATOM 410 CD LYS A 22 -2.341 16.797 3.917 1.00 0.00 C ATOM 411 CE LYS A 22 -2.674 17.903 4.919 1.00 0.00 C ATOM 412 NZ LYS A 22 -2.386 17.426 6.302 1.00 0.00 N ATOM 0 H LYS A 22 -0.012 13.866 4.747 1.00 0.00 H new ATOM 0 HA LYS A 22 1.292 14.447 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.462 16.097 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.178 14.691 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.773 15.799 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.238 17.235 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.501 17.154 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.007 15.946 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.086 18.795 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.724 18.184 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.854 18.051 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.744 16.456 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.359 17.438 6.466 1.00 0.00 H new ATOM 426 N GLY A 23 1.854 16.460 4.786 1.00 0.00 N ATOM 427 CA GLY A 23 2.771 17.543 5.244 1.00 0.00 C ATOM 428 C GLY A 23 4.218 17.063 5.140 1.00 0.00 C ATOM 429 O GLY A 23 5.117 17.825 4.844 1.00 0.00 O ATOM 0 H GLY A 23 1.218 16.101 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.628 18.436 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.541 17.818 6.273 1.00 0.00 H new ATOM 433 N GLY A 24 4.449 15.804 5.385 1.00 0.00 N ATOM 434 CA GLY A 24 5.838 15.269 5.307 1.00 0.00 C ATOM 435 C GLY A 24 6.320 15.310 3.856 1.00 0.00 C ATOM 436 O GLY A 24 5.532 15.335 2.933 1.00 0.00 O ATOM 0 H GLY A 24 3.735 15.120 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.502 15.859 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.867 14.246 5.682 1.00 0.00 H new ATOM 440 N PRO A 25 7.612 15.315 3.660 1.00 0.00 N ATOM 441 CA PRO A 25 8.222 15.353 2.299 1.00 0.00 C ATOM 442 C PRO A 25 8.094 14.012 1.575 1.00 0.00 C ATOM 443 O PRO A 25 7.288 13.176 1.932 1.00 0.00 O ATOM 444 CB PRO A 25 9.692 15.665 2.573 1.00 0.00 C ATOM 445 CG PRO A 25 9.949 15.129 3.939 1.00 0.00 C ATOM 446 CD PRO A 25 8.639 15.284 4.713 1.00 0.00 C ATOM 0 HA PRO A 25 7.732 16.082 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.340 15.193 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.884 16.737 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.254 14.083 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.756 15.676 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.481 14.454 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.631 16.198 5.307 1.00 0.00 H new ATOM 454 N HIS A 26 8.890 13.800 0.565 1.00 0.00 N ATOM 455 CA HIS A 26 8.823 12.514 -0.180 1.00 0.00 C ATOM 456 C HIS A 26 10.006 11.634 0.232 1.00 0.00 C ATOM 457 O HIS A 26 11.149 12.037 0.150 1.00 0.00 O ATOM 458 CB HIS A 26 8.895 12.797 -1.682 1.00 0.00 C ATOM 459 CG HIS A 26 7.645 12.305 -2.353 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.415 12.925 -2.178 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.417 11.256 -3.207 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.512 12.252 -2.916 1.00 0.00 C ATOM 463 NE2 HIS A 26 6.073 11.228 -3.561 1.00 0.00 N ATOM 0 H HIS A 26 9.585 14.464 0.223 1.00 0.00 H new ATOM 0 HA HIS A 26 7.889 12.001 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.014 13.867 -1.854 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.767 12.305 -2.113 1.00 0.00 H new ATOM 0 HD1 HIS A 26 6.229 13.742 -1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.167 10.559 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.465 12.509 -2.978 1.00 0.00 H new ATOM 472 N LYS A 27 9.740 10.435 0.672 1.00 0.00 N ATOM 473 CA LYS A 27 10.848 9.530 1.088 1.00 0.00 C ATOM 474 C LYS A 27 11.122 8.512 -0.020 1.00 0.00 C ATOM 475 O LYS A 27 10.778 8.721 -1.167 1.00 0.00 O ATOM 476 CB LYS A 27 10.458 8.803 2.380 1.00 0.00 C ATOM 477 CG LYS A 27 10.160 9.821 3.486 1.00 0.00 C ATOM 478 CD LYS A 27 11.416 10.641 3.801 1.00 0.00 C ATOM 479 CE LYS A 27 11.272 11.276 5.185 1.00 0.00 C ATOM 480 NZ LYS A 27 11.342 10.215 6.230 1.00 0.00 N ATOM 0 H LYS A 27 8.803 10.043 0.761 1.00 0.00 H new ATOM 0 HA LYS A 27 11.750 10.116 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.583 8.178 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.266 8.141 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.353 10.484 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.819 9.305 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.298 10.002 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.558 11.415 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.062 12.010 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.323 11.808 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.698 10.625 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.393 9.820 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.984 9.460 5.915 1.00 0.00 H new ATOM 494 N VAL A 28 11.749 7.415 0.308 1.00 0.00 N ATOM 495 CA VAL A 28 12.056 6.393 -0.734 1.00 0.00 C ATOM 496 C VAL A 28 10.781 6.060 -1.511 1.00 0.00 C ATOM 497 O VAL A 28 10.800 5.930 -2.718 1.00 0.00 O ATOM 498 CB VAL A 28 12.590 5.128 -0.061 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.707 4.010 -1.098 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.969 5.410 0.543 1.00 0.00 C ATOM 0 H VAL A 28 12.062 7.182 1.251 1.00 0.00 H new ATOM 0 HA VAL A 28 12.807 6.784 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 28 11.905 4.822 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.088 3.108 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.725 3.807 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.391 4.317 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.348 4.507 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.656 5.718 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.886 6.206 1.283 1.00 0.00 H new ATOM 510 N GLY A 29 9.674 5.926 -0.830 1.00 0.00 N ATOM 511 CA GLY A 29 8.398 5.608 -1.534 1.00 0.00 C ATOM 512 C GLY A 29 7.487 6.841 -1.502 1.00 0.00 C ATOM 513 O GLY A 29 7.546 7.634 -0.583 1.00 0.00 O ATOM 0 H GLY A 29 9.598 6.023 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.600 5.316 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.904 4.763 -1.054 1.00 0.00 H new ATOM 517 N PRO A 30 6.653 7.007 -2.499 1.00 0.00 N ATOM 518 CA PRO A 30 5.721 8.171 -2.580 1.00 0.00 C ATOM 519 C PRO A 30 4.750 8.231 -1.397 1.00 0.00 C ATOM 520 O PRO A 30 4.341 7.219 -0.865 1.00 0.00 O ATOM 521 CB PRO A 30 4.954 7.955 -3.889 1.00 0.00 C ATOM 522 CG PRO A 30 5.165 6.523 -4.256 1.00 0.00 C ATOM 523 CD PRO A 30 6.505 6.113 -3.654 1.00 0.00 C ATOM 0 HA PRO A 30 6.267 9.114 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.894 8.173 -3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.323 8.617 -4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.359 5.900 -3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.172 6.397 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.505 5.065 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.320 6.240 -4.366 1.00 0.00 H new ATOM 531 N ASN A 31 4.376 9.412 -0.986 1.00 0.00 N ATOM 532 CA ASN A 31 3.428 9.537 0.155 1.00 0.00 C ATOM 533 C ASN A 31 2.103 8.869 -0.219 1.00 0.00 C ATOM 534 O ASN A 31 1.628 8.995 -1.330 1.00 0.00 O ATOM 535 CB ASN A 31 3.186 11.017 0.458 1.00 0.00 C ATOM 536 CG ASN A 31 4.484 11.654 0.958 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.554 10.916 1.080 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 4.523 12.833 1.245 1.00 0.00 N flip ATOM 0 H ASN A 31 4.686 10.295 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 31 3.848 9.052 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.838 11.531 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.404 11.122 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.687 13.409 1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.392 13.247 1.582 1.00 0.00 H new ATOM 545 N LEU A 32 1.506 8.151 0.694 1.00 0.00 N ATOM 546 CA LEU A 32 0.219 7.469 0.384 1.00 0.00 C ATOM 547 C LEU A 32 -0.926 8.207 1.088 1.00 0.00 C ATOM 548 O LEU A 32 -0.962 8.299 2.299 1.00 0.00 O ATOM 549 CB LEU A 32 0.296 6.031 0.902 1.00 0.00 C ATOM 550 CG LEU A 32 -0.802 5.187 0.255 1.00 0.00 C ATOM 551 CD1 LEU A 32 -0.465 4.935 -1.222 1.00 0.00 C ATOM 552 CD2 LEU A 32 -0.909 3.848 0.987 1.00 0.00 C ATOM 0 H LEU A 32 1.855 8.008 1.642 1.00 0.00 H new ATOM 0 HA LEU A 32 0.040 7.469 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.274 5.606 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.185 6.019 1.986 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.751 5.720 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.251 4.333 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.389 5.888 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.485 4.405 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.691 3.244 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.043 3.320 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.154 4.024 2.034 1.00 0.00 H new ATOM 564 N HIS A 33 -1.866 8.734 0.349 1.00 0.00 N ATOM 565 CA HIS A 33 -2.996 9.459 1.000 1.00 0.00 C ATOM 566 C HIS A 33 -4.197 9.527 0.053 1.00 0.00 C ATOM 567 O HIS A 33 -4.089 9.962 -1.076 1.00 0.00 O ATOM 568 CB HIS A 33 -2.549 10.879 1.359 1.00 0.00 C ATOM 569 CG HIS A 33 -3.664 11.589 2.078 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.114 11.183 3.326 1.00 0.00 N ATOM 571 CD2 HIS A 33 -4.429 12.677 1.737 1.00 0.00 C ATOM 572 CE1 HIS A 33 -5.108 12.016 3.689 1.00 0.00 C ATOM 573 NE2 HIS A 33 -5.338 12.940 2.756 1.00 0.00 N ATOM 0 H HIS A 33 -1.901 8.695 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.288 8.924 1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.660 10.844 1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.278 11.426 0.456 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.339 13.241 0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.651 11.944 4.620 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.035 13.684 2.784 1.00 0.00 H new ATOM 582 N GLY A 34 -5.348 9.106 0.509 1.00 0.00 N ATOM 583 CA GLY A 34 -6.561 9.154 -0.359 1.00 0.00 C ATOM 584 C GLY A 34 -6.293 8.391 -1.657 1.00 0.00 C ATOM 585 O GLY A 34 -7.046 8.478 -2.607 1.00 0.00 O ATOM 0 H GLY A 34 -5.500 8.731 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.412 8.716 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.821 10.189 -0.581 1.00 0.00 H new ATOM 589 N ILE A 35 -5.224 7.648 -1.705 1.00 0.00 N ATOM 590 CA ILE A 35 -4.897 6.882 -2.940 1.00 0.00 C ATOM 591 C ILE A 35 -6.030 5.902 -3.259 1.00 0.00 C ATOM 592 O ILE A 35 -6.183 5.460 -4.381 1.00 0.00 O ATOM 593 CB ILE A 35 -3.592 6.115 -2.726 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.019 5.695 -4.082 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.860 4.869 -1.881 1.00 0.00 C ATOM 596 CD1 ILE A 35 -2.119 6.809 -4.620 1.00 0.00 C ATOM 0 H ILE A 35 -4.559 7.537 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.781 7.572 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.878 6.756 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.450 4.771 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.828 5.494 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.928 4.324 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.268 5.166 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.576 4.228 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.710 6.512 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.702 7.722 -4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.303 6.988 -3.920 1.00 0.00 H new ATOM 608 N PHE A 36 -6.825 5.554 -2.284 1.00 0.00 N ATOM 609 CA PHE A 36 -7.939 4.600 -2.540 1.00 0.00 C ATOM 610 C PHE A 36 -8.915 5.217 -3.540 1.00 0.00 C ATOM 611 O PHE A 36 -9.222 6.391 -3.481 1.00 0.00 O ATOM 612 CB PHE A 36 -8.665 4.315 -1.226 1.00 0.00 C ATOM 613 CG PHE A 36 -7.769 3.515 -0.312 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.900 4.172 0.566 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.812 2.115 -0.340 1.00 0.00 C ATOM 616 CE1 PHE A 36 -6.073 3.430 1.418 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.983 1.373 0.510 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.115 2.030 1.389 1.00 0.00 C ATOM 0 H PHE A 36 -6.751 5.889 -1.323 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.543 3.670 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.948 5.251 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.586 3.766 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.867 5.251 0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.484 1.608 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.403 3.937 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.014 0.294 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.477 1.457 2.046 1.00 0.00 H new ATOM 628 N GLY A 37 -9.404 4.435 -4.462 1.00 0.00 N ATOM 629 CA GLY A 37 -10.359 4.978 -5.469 1.00 0.00 C ATOM 630 C GLY A 37 -9.611 5.920 -6.412 1.00 0.00 C ATOM 631 O GLY A 37 -10.198 6.785 -7.034 1.00 0.00 O ATOM 0 H GLY A 37 -9.184 3.444 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.813 4.164 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.169 5.511 -4.970 1.00 0.00 H new ATOM 635 N ARG A 38 -8.319 5.764 -6.520 1.00 0.00 N ATOM 636 CA ARG A 38 -7.533 6.657 -7.419 1.00 0.00 C ATOM 637 C ARG A 38 -6.527 5.829 -8.222 1.00 0.00 C ATOM 638 O ARG A 38 -6.185 4.722 -7.855 1.00 0.00 O ATOM 639 CB ARG A 38 -6.782 7.699 -6.586 1.00 0.00 C ATOM 640 CG ARG A 38 -7.786 8.580 -5.841 1.00 0.00 C ATOM 641 CD ARG A 38 -7.042 9.708 -5.126 1.00 0.00 C ATOM 642 NE ARG A 38 -7.971 10.395 -4.184 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.621 11.524 -3.629 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.460 12.052 -3.903 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.433 12.125 -2.803 1.00 0.00 N ATOM 0 H ARG A 38 -7.774 5.058 -6.025 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.215 7.162 -8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.120 7.203 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.154 8.312 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.511 8.995 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.344 7.983 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.186 9.307 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.652 10.420 -5.854 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.880 9.983 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.826 11.583 -4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.186 12.934 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.342 11.713 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.159 13.007 -2.370 1.00 0.00 H new ATOM 659 N HIS A 39 -6.049 6.361 -9.314 1.00 0.00 N ATOM 660 CA HIS A 39 -5.064 5.611 -10.141 1.00 0.00 C ATOM 661 C HIS A 39 -3.645 6.020 -9.739 1.00 0.00 C ATOM 662 O HIS A 39 -3.431 7.073 -9.171 1.00 0.00 O ATOM 663 CB HIS A 39 -5.286 5.933 -11.621 1.00 0.00 C ATOM 664 CG HIS A 39 -6.627 5.408 -12.057 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.779 6.180 -11.996 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.016 4.193 -12.564 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.797 5.428 -12.456 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.384 4.212 -12.814 1.00 0.00 N ATOM 0 H HIS A 39 -6.299 7.284 -9.669 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.195 4.541 -9.979 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.237 7.010 -11.780 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.496 5.485 -12.223 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.361 3.353 -12.741 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.820 5.767 -12.526 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.952 3.454 -13.192 1.00 0.00 H new ATOM 677 N SER A 40 -2.677 5.194 -10.023 1.00 0.00 N ATOM 678 CA SER A 40 -1.274 5.531 -9.653 1.00 0.00 C ATOM 679 C SER A 40 -0.836 6.803 -10.381 1.00 0.00 C ATOM 680 O SER A 40 -1.407 7.185 -11.384 1.00 0.00 O ATOM 681 CB SER A 40 -0.357 4.377 -10.052 1.00 0.00 C ATOM 682 OG SER A 40 -0.260 4.328 -11.469 1.00 0.00 O ATOM 0 H SER A 40 -2.797 4.298 -10.496 1.00 0.00 H new ATOM 0 HA SER A 40 -1.214 5.695 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.631 4.513 -9.612 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.750 3.435 -9.669 1.00 0.00 H new ATOM 0 HG SER A 40 0.630 4.007 -11.725 1.00 0.00 H new ATOM 688 N GLY A 41 0.174 7.462 -9.882 1.00 0.00 N ATOM 689 CA GLY A 41 0.652 8.711 -10.541 1.00 0.00 C ATOM 690 C GLY A 41 -0.202 9.888 -10.064 1.00 0.00 C ATOM 691 O GLY A 41 -0.070 10.998 -10.538 1.00 0.00 O ATOM 0 H GLY A 41 0.690 7.189 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.701 8.885 -10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.586 8.613 -11.625 1.00 0.00 H new ATOM 695 N GLN A 42 -1.082 9.646 -9.130 1.00 0.00 N ATOM 696 CA GLN A 42 -1.958 10.738 -8.615 1.00 0.00 C ATOM 697 C GLN A 42 -1.109 11.849 -7.995 1.00 0.00 C ATOM 698 O GLN A 42 -1.443 13.015 -8.075 1.00 0.00 O ATOM 699 CB GLN A 42 -2.901 10.174 -7.556 1.00 0.00 C ATOM 700 CG GLN A 42 -3.980 11.209 -7.247 1.00 0.00 C ATOM 701 CD GLN A 42 -4.966 11.285 -8.414 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.452 10.274 -8.879 1.00 0.00 O ATOM 703 NE2 GLN A 42 -5.281 12.449 -8.912 1.00 0.00 N ATOM 0 H GLN A 42 -1.233 8.734 -8.699 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.534 11.150 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.357 9.250 -7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.346 9.928 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.505 10.939 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.525 12.185 -7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.873 13.298 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.936 12.510 -9.692 1.00 0.00 H new ATOM 712 N ALA A 43 -0.021 11.501 -7.364 1.00 0.00 N ATOM 713 CA ALA A 43 0.836 12.544 -6.726 1.00 0.00 C ATOM 714 C ALA A 43 1.277 13.563 -7.777 1.00 0.00 C ATOM 715 O ALA A 43 1.404 14.740 -7.497 1.00 0.00 O ATOM 716 CB ALA A 43 2.068 11.885 -6.105 1.00 0.00 C ATOM 0 H ALA A 43 0.312 10.542 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 43 0.265 13.052 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.693 12.647 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.754 11.164 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.637 11.374 -6.881 1.00 0.00 H new ATOM 722 N GLU A 44 1.512 13.126 -8.983 1.00 0.00 N ATOM 723 CA GLU A 44 1.948 14.071 -10.051 1.00 0.00 C ATOM 724 C GLU A 44 2.982 15.045 -9.483 1.00 0.00 C ATOM 725 O GLU A 44 3.228 16.096 -10.038 1.00 0.00 O ATOM 726 CB GLU A 44 0.737 14.858 -10.563 1.00 0.00 C ATOM 727 CG GLU A 44 -0.270 13.896 -11.195 1.00 0.00 C ATOM 728 CD GLU A 44 -1.436 14.693 -11.780 1.00 0.00 C ATOM 729 OE1 GLU A 44 -1.501 15.884 -11.525 1.00 0.00 O ATOM 730 OE2 GLU A 44 -2.246 14.099 -12.471 1.00 0.00 O ATOM 0 H GLU A 44 1.421 12.153 -9.276 1.00 0.00 H new ATOM 0 HA GLU A 44 2.391 13.508 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.270 15.401 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.056 15.600 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.212 13.309 -11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.635 13.192 -10.447 1.00 0.00 H new ATOM 737 N GLY A 45 3.588 14.700 -8.376 1.00 0.00 N ATOM 738 CA GLY A 45 4.608 15.599 -7.764 1.00 0.00 C ATOM 739 C GLY A 45 5.955 14.878 -7.719 1.00 0.00 C ATOM 740 O GLY A 45 6.997 15.474 -7.911 1.00 0.00 O ATOM 0 H GLY A 45 3.419 13.831 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.694 16.518 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.301 15.884 -6.758 1.00 0.00 H new ATOM 744 N TYR A 46 5.937 13.596 -7.470 1.00 0.00 N ATOM 745 CA TYR A 46 7.209 12.824 -7.413 1.00 0.00 C ATOM 746 C TYR A 46 7.279 11.884 -8.616 1.00 0.00 C ATOM 747 O TYR A 46 6.310 11.244 -8.975 1.00 0.00 O ATOM 748 CB TYR A 46 7.250 12.015 -6.115 1.00 0.00 C ATOM 749 CG TYR A 46 8.572 11.292 -6.004 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.701 11.970 -5.528 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.667 9.943 -6.369 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.926 11.299 -5.420 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.893 9.273 -6.261 1.00 0.00 C ATOM 754 CZ TYR A 46 11.022 9.952 -5.787 1.00 0.00 C ATOM 755 OH TYR A 46 12.229 9.292 -5.679 1.00 0.00 O ATOM 0 H TYR A 46 5.092 13.049 -7.303 1.00 0.00 H new ATOM 0 HA TYR A 46 8.060 13.505 -7.438 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.114 12.676 -5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.430 11.297 -6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.627 13.009 -5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.796 9.419 -6.734 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.797 11.822 -5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.967 8.233 -6.543 1.00 0.00 H new ATOM 0 HH TYR A 46 12.122 8.364 -5.974 1.00 0.00 H new ATOM 765 N SER A 47 8.416 11.802 -9.251 1.00 0.00 N ATOM 766 CA SER A 47 8.543 10.914 -10.441 1.00 0.00 C ATOM 767 C SER A 47 8.235 9.469 -10.049 1.00 0.00 C ATOM 768 O SER A 47 8.413 9.068 -8.916 1.00 0.00 O ATOM 769 CB SER A 47 9.970 11.001 -10.987 1.00 0.00 C ATOM 770 OG SER A 47 10.275 12.356 -11.290 1.00 0.00 O ATOM 0 H SER A 47 9.262 12.311 -8.997 1.00 0.00 H new ATOM 0 HA SER A 47 7.836 11.235 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.677 10.612 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.068 10.385 -11.881 1.00 0.00 H new ATOM 0 HG SER A 47 11.189 12.416 -11.638 1.00 0.00 H new ATOM 776 N TYR A 48 7.777 8.684 -10.987 1.00 0.00 N ATOM 777 CA TYR A 48 7.457 7.258 -10.696 1.00 0.00 C ATOM 778 C TYR A 48 8.358 6.355 -11.537 1.00 0.00 C ATOM 779 O TYR A 48 8.895 6.767 -12.546 1.00 0.00 O ATOM 780 CB TYR A 48 5.995 6.976 -11.051 1.00 0.00 C ATOM 781 CG TYR A 48 5.094 7.427 -9.928 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.887 8.792 -9.694 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.456 6.475 -9.121 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.043 9.204 -8.655 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.615 6.888 -8.082 1.00 0.00 C ATOM 786 CZ TYR A 48 3.408 8.252 -7.850 1.00 0.00 C ATOM 787 OH TYR A 48 2.575 8.656 -6.826 1.00 0.00 O ATOM 0 H TYR A 48 7.610 8.973 -11.951 1.00 0.00 H new ATOM 0 HA TYR A 48 7.620 7.061 -9.636 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.729 7.495 -11.972 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.856 5.911 -11.234 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.378 9.527 -10.315 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.614 5.422 -9.301 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.882 10.257 -8.475 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.126 6.154 -7.459 1.00 0.00 H new ATOM 0 HH TYR A 48 2.215 7.868 -6.367 1.00 0.00 H new ATOM 797 N THR A 49 8.530 5.127 -11.133 1.00 0.00 N ATOM 798 CA THR A 49 9.398 4.207 -11.918 1.00 0.00 C ATOM 799 C THR A 49 8.657 3.772 -13.184 1.00 0.00 C ATOM 800 O THR A 49 7.446 3.830 -13.258 1.00 0.00 O ATOM 801 CB THR A 49 9.732 2.972 -11.077 1.00 0.00 C ATOM 802 OG1 THR A 49 8.573 2.161 -10.951 1.00 0.00 O ATOM 803 CG2 THR A 49 10.206 3.406 -9.689 1.00 0.00 C ATOM 0 H THR A 49 8.109 4.722 -10.297 1.00 0.00 H new ATOM 0 HA THR A 49 10.320 4.721 -12.189 1.00 0.00 H new ATOM 0 HB THR A 49 10.524 2.404 -11.566 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.785 1.369 -10.414 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.443 2.524 -9.093 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.096 4.028 -9.786 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.418 3.975 -9.197 1.00 0.00 H new ATOM 811 N ASP A 50 9.375 3.335 -14.179 1.00 0.00 N ATOM 812 CA ASP A 50 8.718 2.893 -15.441 1.00 0.00 C ATOM 813 C ASP A 50 7.742 1.755 -15.137 1.00 0.00 C ATOM 814 O ASP A 50 6.743 1.586 -15.805 1.00 0.00 O ATOM 815 CB ASP A 50 9.779 2.407 -16.427 1.00 0.00 C ATOM 816 CG ASP A 50 10.629 3.593 -16.888 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.238 4.717 -16.619 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.657 3.357 -17.501 1.00 0.00 O ATOM 0 H ASP A 50 10.393 3.264 -14.173 1.00 0.00 H new ATOM 0 HA ASP A 50 8.174 3.730 -15.879 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.411 1.654 -15.956 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.303 1.932 -17.285 1.00 0.00 H new ATOM 823 N ALA A 51 8.034 0.965 -14.143 1.00 0.00 N ATOM 824 CA ALA A 51 7.136 -0.174 -13.798 1.00 0.00 C ATOM 825 C ALA A 51 5.683 0.301 -13.689 1.00 0.00 C ATOM 826 O ALA A 51 4.886 0.096 -14.585 1.00 0.00 O ATOM 827 CB ALA A 51 7.570 -0.767 -12.458 1.00 0.00 C ATOM 0 H ALA A 51 8.860 1.059 -13.551 1.00 0.00 H new ATOM 0 HA ALA A 51 7.204 -0.926 -14.584 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.917 -1.601 -12.200 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.598 -1.121 -12.533 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.505 -0.003 -11.684 1.00 0.00 H new ATOM 833 N ASN A 52 5.324 0.912 -12.592 1.00 0.00 N ATOM 834 CA ASN A 52 3.913 1.372 -12.426 1.00 0.00 C ATOM 835 C ASN A 52 3.480 2.218 -13.626 1.00 0.00 C ATOM 836 O ASN A 52 2.397 2.051 -14.148 1.00 0.00 O ATOM 837 CB ASN A 52 3.790 2.202 -11.144 1.00 0.00 C ATOM 838 CG ASN A 52 2.330 2.620 -10.943 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.948 3.708 -11.321 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.493 1.806 -10.352 1.00 0.00 N ATOM 0 H ASN A 52 5.943 1.112 -11.806 1.00 0.00 H new ATOM 0 HA ASN A 52 3.266 0.497 -12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.134 1.621 -10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.427 3.085 -11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.523 2.087 -10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.811 0.891 -10.033 1.00 0.00 H new ATOM 847 N ILE A 53 4.306 3.118 -14.083 1.00 0.00 N ATOM 848 CA ILE A 53 3.911 3.942 -15.251 1.00 0.00 C ATOM 849 C ILE A 53 3.637 3.027 -16.445 1.00 0.00 C ATOM 850 O ILE A 53 2.693 3.222 -17.184 1.00 0.00 O ATOM 851 CB ILE A 53 5.039 4.913 -15.577 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.256 5.862 -14.391 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.678 5.714 -16.823 1.00 0.00 C ATOM 854 CD1 ILE A 53 3.956 6.598 -14.044 1.00 0.00 C ATOM 0 H ILE A 53 5.230 3.315 -13.699 1.00 0.00 H new ATOM 0 HA ILE A 53 3.007 4.507 -15.025 1.00 0.00 H new ATOM 0 HB ILE A 53 5.957 4.356 -15.763 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.603 5.298 -13.525 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.035 6.584 -14.634 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.485 6.408 -17.056 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.531 5.034 -17.662 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.760 6.273 -16.643 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.130 7.266 -13.201 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.626 7.179 -14.905 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.187 5.873 -13.779 1.00 0.00 H new ATOM 866 N LYS A 54 4.444 2.019 -16.629 1.00 0.00 N ATOM 867 CA LYS A 54 4.218 1.082 -17.765 1.00 0.00 C ATOM 868 C LYS A 54 2.852 0.417 -17.589 1.00 0.00 C ATOM 869 O LYS A 54 2.131 0.192 -18.541 1.00 0.00 O ATOM 870 CB LYS A 54 5.312 0.014 -17.776 1.00 0.00 C ATOM 871 CG LYS A 54 5.158 -0.861 -19.023 1.00 0.00 C ATOM 872 CD LYS A 54 6.211 -1.970 -19.006 1.00 0.00 C ATOM 873 CE LYS A 54 6.165 -2.738 -20.328 1.00 0.00 C ATOM 874 NZ LYS A 54 4.895 -3.513 -20.408 1.00 0.00 N ATOM 0 H LYS A 54 5.250 1.804 -16.042 1.00 0.00 H new ATOM 0 HA LYS A 54 4.246 1.628 -18.708 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.295 0.485 -17.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.245 -0.600 -16.878 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.159 -1.295 -19.054 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.269 -0.254 -19.921 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.202 -1.542 -18.856 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.027 -2.648 -18.173 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.234 -2.045 -21.166 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.019 -3.411 -20.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.949 -4.187 -21.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.749 -4.033 -19.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.100 -2.861 -20.563 1.00 0.00 H new ATOM 888 N LYS A 55 2.495 0.109 -16.370 1.00 0.00 N ATOM 889 CA LYS A 55 1.178 -0.534 -16.109 1.00 0.00 C ATOM 890 C LYS A 55 0.421 0.295 -15.073 1.00 0.00 C ATOM 891 O LYS A 55 0.828 0.398 -13.933 1.00 0.00 O ATOM 892 CB LYS A 55 1.406 -1.947 -15.564 1.00 0.00 C ATOM 893 CG LYS A 55 0.064 -2.670 -15.426 1.00 0.00 C ATOM 894 CD LYS A 55 0.295 -4.063 -14.836 1.00 0.00 C ATOM 895 CE LYS A 55 -1.017 -4.848 -14.846 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.251 -5.406 -16.207 1.00 0.00 N ATOM 0 H LYS A 55 3.064 0.277 -15.540 1.00 0.00 H new ATOM 0 HA LYS A 55 0.600 -0.590 -17.031 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.063 -2.503 -16.233 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.905 -1.898 -14.596 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.606 -2.098 -14.784 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.420 -2.751 -16.399 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.052 -4.593 -15.414 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.673 -3.979 -13.817 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.977 -5.654 -14.113 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.844 -4.198 -14.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.098 -6.010 -16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.391 -4.627 -16.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.428 -5.971 -16.497 1.00 0.00 H new ATOM 910 N ASN A 56 -0.677 0.887 -15.452 1.00 0.00 N ATOM 911 CA ASN A 56 -1.445 1.708 -14.476 1.00 0.00 C ATOM 912 C ASN A 56 -2.549 0.854 -13.857 1.00 0.00 C ATOM 913 O ASN A 56 -3.244 0.130 -14.543 1.00 0.00 O ATOM 914 CB ASN A 56 -2.063 2.914 -15.185 1.00 0.00 C ATOM 915 CG ASN A 56 -2.429 3.979 -14.149 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.229 3.735 -12.881 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -2.902 5.044 -14.495 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.074 0.838 -16.390 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.774 2.062 -13.693 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.360 3.323 -15.911 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.951 2.609 -15.739 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.058 5.235 -15.485 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.142 5.747 -13.796 1.00 0.00 H new ATOM 924 N VAL A 57 -2.709 0.926 -12.564 1.00 0.00 N ATOM 925 CA VAL A 57 -3.760 0.109 -11.895 1.00 0.00 C ATOM 926 C VAL A 57 -4.584 0.986 -10.951 1.00 0.00 C ATOM 927 O VAL A 57 -4.081 1.913 -10.347 1.00 0.00 O ATOM 928 CB VAL A 57 -3.097 -1.009 -11.094 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.215 -0.400 -10.004 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.180 -1.874 -10.448 1.00 0.00 C ATOM 0 H VAL A 57 -2.157 1.516 -11.942 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.417 -0.317 -12.653 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.484 -1.621 -11.756 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.741 -1.197 -9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.447 0.223 -10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.827 0.210 -9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.712 -2.674 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.788 -1.260 -9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.812 -2.305 -11.224 1.00 0.00 H new ATOM 940 N LEU A 58 -5.847 0.689 -10.810 1.00 0.00 N ATOM 941 CA LEU A 58 -6.709 1.491 -9.897 1.00 0.00 C ATOM 942 C LEU A 58 -6.504 1.003 -8.465 1.00 0.00 C ATOM 943 O LEU A 58 -6.494 -0.184 -8.200 1.00 0.00 O ATOM 944 CB LEU A 58 -8.180 1.313 -10.293 1.00 0.00 C ATOM 945 CG LEU A 58 -9.081 2.097 -9.333 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.804 3.595 -9.471 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.545 1.820 -9.672 1.00 0.00 C ATOM 0 H LEU A 58 -6.320 -0.077 -11.289 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.442 2.545 -9.970 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.334 1.660 -11.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.445 0.256 -10.272 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.875 1.785 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.447 4.148 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.760 3.796 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.007 3.910 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.188 2.377 -8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.746 2.132 -10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.746 0.754 -9.571 1.00 0.00 H new ATOM 959 N TRP A 59 -6.334 1.903 -7.538 1.00 0.00 N ATOM 960 CA TRP A 59 -6.125 1.477 -6.130 1.00 0.00 C ATOM 961 C TRP A 59 -7.437 1.554 -5.356 1.00 0.00 C ATOM 962 O TRP A 59 -8.110 2.566 -5.336 1.00 0.00 O ATOM 963 CB TRP A 59 -5.083 2.381 -5.475 1.00 0.00 C ATOM 964 CG TRP A 59 -3.756 2.090 -6.089 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.166 2.832 -7.045 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.856 0.984 -5.810 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.961 2.246 -7.386 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.723 1.104 -6.648 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.913 -0.101 -4.924 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.682 0.177 -6.606 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.869 -1.033 -4.877 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.755 -0.896 -5.717 1.00 0.00 C ATOM 0 H TRP A 59 -6.331 2.911 -7.695 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.772 0.446 -6.118 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.346 3.429 -5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.050 2.205 -4.400 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.568 3.737 -7.475 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.326 2.612 -8.095 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.767 -0.219 -4.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.173 0.289 -7.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.922 -1.863 -4.189 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.045 -1.620 -5.676 1.00 0.00 H new ATOM 983 N ASP A 60 -7.788 0.476 -4.715 1.00 0.00 N ATOM 984 CA ASP A 60 -9.042 0.428 -3.918 1.00 0.00 C ATOM 985 C ASP A 60 -8.849 -0.587 -2.790 1.00 0.00 C ATOM 986 O ASP A 60 -7.897 -1.341 -2.786 1.00 0.00 O ATOM 987 CB ASP A 60 -10.205 -0.006 -4.811 1.00 0.00 C ATOM 988 CG ASP A 60 -11.524 0.184 -4.060 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.487 0.724 -2.966 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.549 -0.214 -4.589 1.00 0.00 O ATOM 0 H ASP A 60 -7.248 -0.389 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.267 1.412 -3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.210 0.580 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.086 -1.050 -5.099 1.00 0.00 H new ATOM 995 N GLU A 61 -9.727 -0.615 -1.831 1.00 0.00 N ATOM 996 CA GLU A 61 -9.555 -1.587 -0.714 1.00 0.00 C ATOM 997 C GLU A 61 -9.493 -3.008 -1.274 1.00 0.00 C ATOM 998 O GLU A 61 -8.761 -3.846 -0.781 1.00 0.00 O ATOM 999 CB GLU A 61 -10.733 -1.469 0.252 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.733 -0.078 0.890 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.872 0.019 1.903 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.673 -0.900 1.954 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.926 1.010 2.610 1.00 0.00 O ATOM 0 H GLU A 61 -10.549 -0.015 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.628 -1.367 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.670 -1.637 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.662 -2.235 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.778 0.108 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.850 0.686 0.121 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.243 -3.288 -2.301 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.215 -4.657 -2.889 1.00 0.00 C ATOM 1012 C ASN A 62 -8.943 -4.841 -3.720 1.00 0.00 C ATOM 1013 O ASN A 62 -8.155 -5.738 -3.486 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.436 -4.844 -3.794 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.504 -6.295 -4.269 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.876 -7.177 -3.521 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -11.149 -6.584 -5.493 1.00 0.00 N ATOM 0 H ASN A 62 -10.874 -2.630 -2.759 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.231 -5.393 -2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.346 -4.585 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.373 -4.173 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.184 -7.550 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.837 -5.844 -6.122 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.742 -4.000 -4.697 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.530 -4.126 -5.557 1.00 0.00 C ATOM 1026 C ASN A 63 -6.266 -3.909 -4.729 1.00 0.00 C ATOM 1027 O ASN A 63 -5.277 -4.593 -4.899 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.586 -3.089 -6.675 1.00 0.00 C ATOM 1029 CG ASN A 63 -6.458 -3.363 -7.671 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.398 -2.599 -7.666 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 -6.536 -4.285 -8.457 1.00 0.00 N flip ATOM 0 H ASN A 63 -9.366 -3.229 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.506 -5.128 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.551 -3.132 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.487 -2.085 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.363 -4.882 -8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.775 -4.462 -9.112 1.00 0.00 H new ATOM 1038 N MET A 64 -6.284 -2.956 -3.845 1.00 0.00 N ATOM 1039 CA MET A 64 -5.075 -2.691 -3.019 1.00 0.00 C ATOM 1040 C MET A 64 -4.713 -3.947 -2.224 1.00 0.00 C ATOM 1041 O MET A 64 -3.555 -4.254 -2.031 1.00 0.00 O ATOM 1042 CB MET A 64 -5.355 -1.527 -2.066 1.00 0.00 C ATOM 1043 CG MET A 64 -4.069 -1.148 -1.327 1.00 0.00 C ATOM 1044 SD MET A 64 -4.409 0.210 -0.178 1.00 0.00 S ATOM 1045 CE MET A 64 -4.753 1.488 -1.415 1.00 0.00 C ATOM 0 H MET A 64 -7.082 -2.349 -3.657 1.00 0.00 H new ATOM 0 HA MET A 64 -4.238 -2.428 -3.666 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.732 -0.670 -2.624 1.00 0.00 H new ATOM 0 HB3 MET A 64 -6.128 -1.807 -1.351 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.682 -2.010 -0.783 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.301 -0.850 -2.041 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.763 2.466 -0.934 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.980 1.469 -2.183 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.724 1.299 -1.873 1.00 0.00 H new ATOM 1055 N SER A 65 -5.690 -4.682 -1.770 1.00 0.00 N ATOM 1056 CA SER A 65 -5.387 -5.919 -0.995 1.00 0.00 C ATOM 1057 C SER A 65 -4.629 -6.910 -1.886 1.00 0.00 C ATOM 1058 O SER A 65 -3.755 -7.622 -1.435 1.00 0.00 O ATOM 1059 CB SER A 65 -6.693 -6.558 -0.522 1.00 0.00 C ATOM 1060 OG SER A 65 -7.404 -7.058 -1.646 1.00 0.00 O ATOM 0 H SER A 65 -6.681 -4.481 -1.901 1.00 0.00 H new ATOM 0 HA SER A 65 -4.773 -5.663 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.483 -7.366 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.299 -5.824 0.009 1.00 0.00 H new ATOM 0 HG SER A 65 -7.352 -6.411 -2.380 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.958 -6.959 -3.149 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.254 -7.901 -4.063 1.00 0.00 C ATOM 1068 C GLU A 66 -2.777 -7.512 -4.168 1.00 0.00 C ATOM 1069 O GLU A 66 -1.907 -8.354 -4.268 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.900 -7.830 -5.448 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.341 -8.338 -5.370 1.00 0.00 C ATOM 1072 CD GLU A 66 -6.964 -8.327 -6.767 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.341 -7.789 -7.668 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -8.052 -8.859 -6.913 1.00 0.00 O ATOM 0 H GLU A 66 -5.682 -6.389 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.330 -8.915 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.885 -6.804 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.330 -8.430 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.360 -9.348 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.923 -7.710 -4.696 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.491 -6.239 -4.148 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.075 -5.783 -4.249 1.00 0.00 C ATOM 1083 C HIS A 67 -0.261 -6.339 -3.081 1.00 0.00 C ATOM 1084 O HIS A 67 0.848 -6.803 -3.250 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.050 -4.255 -4.217 1.00 0.00 C ATOM 1086 CG HIS A 67 0.366 -3.753 -4.319 1.00 0.00 C ATOM 1087 ND1 HIS A 67 1.100 -3.848 -5.490 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.192 -3.140 -3.408 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.311 -3.305 -5.260 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.415 -2.861 -4.007 1.00 0.00 N ATOM 0 H HIS A 67 -3.180 -5.492 -4.066 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.638 -6.143 -5.180 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.644 -3.858 -5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.505 -3.896 -3.293 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.781 -4.256 -6.369 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.931 -2.911 -2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.098 -3.238 -5.997 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.803 -6.299 -1.897 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.058 -6.828 -0.720 1.00 0.00 C ATOM 1101 C LEU A 68 0.204 -8.322 -0.900 1.00 0.00 C ATOM 1102 O LEU A 68 1.199 -8.839 -0.437 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.879 -6.600 0.550 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.679 -5.165 1.043 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.857 -4.188 -0.119 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -1.710 -4.855 2.130 1.00 0.00 C ATOM 0 H LEU A 68 -1.729 -5.923 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 68 0.895 -6.306 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.935 -6.782 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.575 -7.306 1.323 1.00 0.00 H new ATOM 0 HG LEU A 68 0.327 -5.060 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.714 -3.168 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.123 -4.408 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.861 -4.291 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.570 -3.833 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.714 -4.963 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.581 -5.547 2.962 1.00 0.00 H new ATOM 1118 N THR A 69 -0.674 -9.024 -1.561 1.00 0.00 N ATOM 1119 CA THR A 69 -0.449 -10.485 -1.751 1.00 0.00 C ATOM 1120 C THR A 69 0.376 -10.715 -3.018 1.00 0.00 C ATOM 1121 O THR A 69 0.062 -10.210 -4.077 1.00 0.00 O ATOM 1122 CB THR A 69 -1.794 -11.201 -1.884 1.00 0.00 C ATOM 1123 OG1 THR A 69 -2.653 -10.787 -0.833 1.00 0.00 O ATOM 1124 CG2 THR A 69 -1.577 -12.714 -1.801 1.00 0.00 C ATOM 0 H THR A 69 -1.530 -8.654 -1.975 1.00 0.00 H new ATOM 0 HA THR A 69 0.088 -10.881 -0.889 1.00 0.00 H new ATOM 0 HB THR A 69 -2.247 -10.952 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.164 -10.001 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.535 -13.225 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.915 -13.031 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.126 -12.965 -0.841 1.00 0.00 H new ATOM 1132 N ASN A 70 1.425 -11.486 -2.914 1.00 0.00 N ATOM 1133 CA ASN A 70 2.278 -11.771 -4.103 1.00 0.00 C ATOM 1134 C ASN A 70 2.424 -10.519 -4.970 1.00 0.00 C ATOM 1135 O ASN A 70 2.150 -10.544 -6.153 1.00 0.00 O ATOM 1136 CB ASN A 70 1.638 -12.889 -4.928 1.00 0.00 C ATOM 1137 CG ASN A 70 1.869 -14.231 -4.236 1.00 0.00 C ATOM 1138 OD1 ASN A 70 2.963 -14.517 -3.789 1.00 0.00 O ATOM 1139 ND2 ASN A 70 0.879 -15.075 -4.125 1.00 0.00 N ATOM 0 H ASN A 70 1.729 -11.934 -2.050 1.00 0.00 H new ATOM 0 HA ASN A 70 3.267 -12.079 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.570 -12.706 -5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.066 -12.906 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.024 -15.973 -3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.039 -14.836 -4.500 1.00 0.00 H new ATOM 1146 N PRO A 71 2.870 -9.436 -4.393 1.00 0.00 N ATOM 1147 CA PRO A 71 3.080 -8.161 -5.134 1.00 0.00 C ATOM 1148 C PRO A 71 3.996 -8.370 -6.341 1.00 0.00 C ATOM 1149 O PRO A 71 4.089 -7.538 -7.220 1.00 0.00 O ATOM 1150 CB PRO A 71 3.742 -7.224 -4.116 1.00 0.00 C ATOM 1151 CG PRO A 71 4.125 -8.075 -2.948 1.00 0.00 C ATOM 1152 CD PRO A 71 3.223 -9.305 -2.977 1.00 0.00 C ATOM 0 HA PRO A 71 2.145 -7.760 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.618 -6.738 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.056 -6.433 -3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.174 -8.365 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.000 -7.527 -2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.740 -10.191 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.339 -9.170 -2.354 1.00 0.00 H new ATOM 1160 N ALA A 72 4.674 -9.482 -6.382 1.00 0.00 N ATOM 1161 CA ALA A 72 5.587 -9.765 -7.522 1.00 0.00 C ATOM 1162 C ALA A 72 4.778 -9.858 -8.817 1.00 0.00 C ATOM 1163 O ALA A 72 3.606 -10.171 -8.805 1.00 0.00 O ATOM 1164 CB ALA A 72 6.314 -11.088 -7.278 1.00 0.00 C ATOM 0 H ALA A 72 4.634 -10.211 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 72 6.317 -8.960 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.983 -11.295 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.894 -11.020 -6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.585 -11.893 -7.189 1.00 0.00 H new ATOM 1170 N LYS A 73 5.407 -9.585 -9.928 1.00 0.00 N ATOM 1171 CA LYS A 73 4.707 -9.649 -11.249 1.00 0.00 C ATOM 1172 C LYS A 73 3.649 -8.546 -11.335 1.00 0.00 C ATOM 1173 O LYS A 73 3.434 -7.966 -12.382 1.00 0.00 O ATOM 1174 CB LYS A 73 4.039 -11.018 -11.426 1.00 0.00 C ATOM 1175 CG LYS A 73 3.629 -11.195 -12.890 1.00 0.00 C ATOM 1176 CD LYS A 73 2.906 -12.532 -13.059 1.00 0.00 C ATOM 1177 CE LYS A 73 2.644 -12.785 -14.546 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.054 -14.143 -14.723 1.00 0.00 N ATOM 0 H LYS A 73 6.390 -9.316 -9.980 1.00 0.00 H new ATOM 0 HA LYS A 73 5.441 -9.505 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.725 -11.811 -11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.165 -11.095 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.979 -10.376 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.509 -11.162 -13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.509 -13.339 -12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.965 -12.521 -12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.966 -12.028 -14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.574 -12.705 -15.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.876 -14.315 -15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.716 -14.859 -14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.158 -14.203 -14.198 1.00 0.00 H new ATOM 1192 N TYR A 74 2.988 -8.246 -10.251 1.00 0.00 N ATOM 1193 CA TYR A 74 1.951 -7.174 -10.287 1.00 0.00 C ATOM 1194 C TYR A 74 2.597 -5.849 -10.700 1.00 0.00 C ATOM 1195 O TYR A 74 2.129 -5.175 -11.596 1.00 0.00 O ATOM 1196 CB TYR A 74 1.330 -7.041 -8.895 1.00 0.00 C ATOM 1197 CG TYR A 74 0.374 -5.871 -8.852 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -0.911 -5.981 -9.400 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.771 -4.678 -8.240 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -1.794 -4.894 -9.333 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.109 -3.595 -8.177 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.390 -3.701 -8.719 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.253 -2.628 -8.645 1.00 0.00 O ATOM 0 H TYR A 74 3.120 -8.694 -9.344 1.00 0.00 H new ATOM 0 HA TYR A 74 1.176 -7.429 -11.010 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.802 -7.959 -8.636 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.115 -6.904 -8.151 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.221 -6.901 -9.873 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.760 -4.594 -7.815 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.785 -4.976 -9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.203 -2.674 -7.708 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.002 -2.058 -7.888 1.00 0.00 H new ATOM 1213 N ILE A 75 3.676 -5.477 -10.064 1.00 0.00 N ATOM 1214 CA ILE A 75 4.358 -4.201 -10.425 1.00 0.00 C ATOM 1215 C ILE A 75 5.876 -4.408 -10.365 1.00 0.00 C ATOM 1216 O ILE A 75 6.534 -4.005 -9.428 1.00 0.00 O ATOM 1217 CB ILE A 75 3.930 -3.097 -9.443 1.00 0.00 C ATOM 1218 CG1 ILE A 75 2.512 -2.623 -9.794 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.900 -1.914 -9.512 1.00 0.00 C ATOM 1220 CD1 ILE A 75 2.557 -1.578 -10.913 1.00 0.00 C ATOM 0 H ILE A 75 4.115 -6.003 -9.309 1.00 0.00 H new ATOM 0 HA ILE A 75 4.079 -3.901 -11.435 1.00 0.00 H new ATOM 0 HB ILE A 75 3.943 -3.501 -8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.905 -3.473 -10.106 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.035 -2.198 -8.911 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.583 -1.142 -8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.903 -2.251 -9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.905 -1.506 -10.523 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.543 -1.253 -11.149 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.146 -0.721 -10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.014 -2.015 -11.801 1.00 0.00 H new ATOM 1232 N PRO A 76 6.425 -5.042 -11.363 1.00 0.00 N ATOM 1233 CA PRO A 76 7.883 -5.323 -11.443 1.00 0.00 C ATOM 1234 C PRO A 76 8.671 -4.144 -12.026 1.00 0.00 C ATOM 1235 O PRO A 76 8.162 -3.381 -12.821 1.00 0.00 O ATOM 1236 CB PRO A 76 7.954 -6.527 -12.378 1.00 0.00 C ATOM 1237 CG PRO A 76 6.762 -6.409 -13.274 1.00 0.00 C ATOM 1238 CD PRO A 76 5.710 -5.573 -12.532 1.00 0.00 C ATOM 0 HA PRO A 76 8.322 -5.500 -10.461 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.880 -6.523 -12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.932 -7.461 -11.817 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.036 -5.933 -14.216 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.366 -7.395 -13.518 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.324 -4.770 -13.161 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.857 -6.182 -12.233 1.00 0.00 H new ATOM 1246 N GLY A 77 9.914 -3.998 -11.648 1.00 0.00 N ATOM 1247 CA GLY A 77 10.731 -2.876 -12.192 1.00 0.00 C ATOM 1248 C GLY A 77 10.682 -1.674 -11.243 1.00 0.00 C ATOM 1249 O GLY A 77 10.940 -0.554 -11.640 1.00 0.00 O ATOM 0 H GLY A 77 10.397 -4.607 -10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.763 -3.200 -12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.357 -2.588 -13.174 1.00 0.00 H new ATOM 1253 N THR A 78 10.353 -1.894 -9.997 1.00 0.00 N ATOM 1254 CA THR A 78 10.286 -0.762 -9.025 1.00 0.00 C ATOM 1255 C THR A 78 11.209 -1.044 -7.836 1.00 0.00 C ATOM 1256 O THR A 78 11.651 -2.156 -7.627 1.00 0.00 O ATOM 1257 CB THR A 78 8.844 -0.590 -8.532 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.764 0.562 -7.706 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.404 -1.827 -7.742 1.00 0.00 C ATOM 0 H THR A 78 10.127 -2.810 -9.610 1.00 0.00 H new ATOM 0 HA THR A 78 10.609 0.154 -9.519 1.00 0.00 H new ATOM 0 HB THR A 78 8.183 -0.470 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.843 0.675 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.379 -1.693 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.459 -2.707 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.061 -1.963 -6.883 1.00 0.00 H new ATOM 1267 N LYS A 79 11.503 -0.038 -7.057 1.00 0.00 N ATOM 1268 CA LYS A 79 12.400 -0.232 -5.883 1.00 0.00 C ATOM 1269 C LYS A 79 11.597 -0.800 -4.708 1.00 0.00 C ATOM 1270 O LYS A 79 12.109 -0.965 -3.617 1.00 0.00 O ATOM 1271 CB LYS A 79 12.998 1.119 -5.483 1.00 0.00 C ATOM 1272 CG LYS A 79 13.801 1.688 -6.655 1.00 0.00 C ATOM 1273 CD LYS A 79 14.514 2.969 -6.216 1.00 0.00 C ATOM 1274 CE LYS A 79 13.476 4.042 -5.873 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.328 4.134 -4.394 1.00 0.00 N ATOM 0 H LYS A 79 11.159 0.914 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 79 13.197 -0.928 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.204 1.811 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.641 1.000 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.530 0.954 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.139 1.898 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.144 2.768 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.169 3.324 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.785 5.005 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.518 3.796 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.332 4.313 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.634 3.240 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.915 4.913 -4.034 1.00 0.00 H new ATOM 1289 N MET A 80 10.345 -1.096 -4.919 1.00 0.00 N ATOM 1290 CA MET A 80 9.514 -1.648 -3.810 1.00 0.00 C ATOM 1291 C MET A 80 9.798 -3.142 -3.640 1.00 0.00 C ATOM 1292 O MET A 80 9.806 -3.895 -4.592 1.00 0.00 O ATOM 1293 CB MET A 80 8.032 -1.447 -4.135 1.00 0.00 C ATOM 1294 CG MET A 80 7.183 -1.982 -2.980 1.00 0.00 C ATOM 1295 SD MET A 80 5.559 -1.181 -2.986 1.00 0.00 S ATOM 1296 CE MET A 80 5.235 -1.277 -4.765 1.00 0.00 C ATOM 0 H MET A 80 9.861 -0.980 -5.809 1.00 0.00 H new ATOM 0 HA MET A 80 9.761 -1.128 -2.885 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.823 -0.389 -4.295 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.777 -1.966 -5.059 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.066 -3.062 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.686 -1.796 -2.031 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.179 -1.082 -4.954 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.840 -0.535 -5.286 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.491 -2.272 -5.128 1.00 0.00 H new ATOM 1306 N ALA A 81 10.030 -3.574 -2.430 1.00 0.00 N ATOM 1307 CA ALA A 81 10.312 -5.017 -2.190 1.00 0.00 C ATOM 1308 C ALA A 81 9.512 -5.499 -0.981 1.00 0.00 C ATOM 1309 O ALA A 81 10.056 -5.780 0.070 1.00 0.00 O ATOM 1310 CB ALA A 81 11.801 -5.209 -1.919 1.00 0.00 C ATOM 0 H ALA A 81 10.036 -2.987 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 81 10.025 -5.592 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.006 -6.265 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.375 -4.866 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.088 -4.633 -1.039 1.00 0.00 H new ATOM 1316 N PHE A 82 8.224 -5.597 -1.124 1.00 0.00 N ATOM 1317 CA PHE A 82 7.370 -6.061 0.008 1.00 0.00 C ATOM 1318 C PHE A 82 6.966 -7.517 -0.222 1.00 0.00 C ATOM 1319 O PHE A 82 6.573 -7.896 -1.306 1.00 0.00 O ATOM 1320 CB PHE A 82 6.115 -5.188 0.087 1.00 0.00 C ATOM 1321 CG PHE A 82 5.294 -5.584 1.291 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.628 -5.093 2.559 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.196 -6.440 1.138 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.866 -5.461 3.674 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.433 -6.805 2.254 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.768 -6.317 3.522 1.00 0.00 C ATOM 0 H PHE A 82 7.719 -5.375 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 82 7.927 -5.983 0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.395 -4.137 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.524 -5.301 -0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.473 -4.431 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.938 -6.818 0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.125 -5.084 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.585 -7.464 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.180 -6.600 4.383 1.00 0.00 H new ATOM 1336 N GLY A 83 7.063 -8.342 0.786 1.00 0.00 N ATOM 1337 CA GLY A 83 6.683 -9.773 0.613 1.00 0.00 C ATOM 1338 C GLY A 83 5.166 -9.918 0.740 1.00 0.00 C ATOM 1339 O GLY A 83 4.467 -8.975 1.049 1.00 0.00 O ATOM 0 H GLY A 83 7.388 -8.088 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.013 -10.132 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.182 -10.386 1.364 1.00 0.00 H new ATOM 1343 N GLY A 84 4.649 -11.095 0.502 1.00 0.00 N ATOM 1344 CA GLY A 84 3.176 -11.293 0.610 1.00 0.00 C ATOM 1345 C GLY A 84 2.819 -11.754 2.025 1.00 0.00 C ATOM 1346 O GLY A 84 3.660 -12.224 2.764 1.00 0.00 O ATOM 0 H GLY A 84 5.182 -11.924 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.657 -10.363 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.845 -12.033 -0.118 1.00 0.00 H new ATOM 1350 N LEU A 85 1.574 -11.629 2.405 1.00 0.00 N ATOM 1351 CA LEU A 85 1.165 -12.068 3.771 1.00 0.00 C ATOM 1352 C LEU A 85 0.444 -13.414 3.672 1.00 0.00 C ATOM 1353 O LEU A 85 -0.483 -13.579 2.904 1.00 0.00 O ATOM 1354 CB LEU A 85 0.227 -11.025 4.382 1.00 0.00 C ATOM 1355 CG LEU A 85 0.908 -9.656 4.374 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.010 -8.636 5.076 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.247 -9.744 5.112 1.00 0.00 C ATOM 0 H LEU A 85 0.825 -11.243 1.830 1.00 0.00 H new ATOM 0 HA LEU A 85 2.047 -12.173 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.704 -10.983 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.032 -11.308 5.402 1.00 0.00 H new ATOM 0 HG LEU A 85 1.080 -9.345 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.495 -7.660 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.944 -8.570 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.162 -8.950 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.731 -8.767 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.075 -10.057 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.889 -10.471 4.615 1.00 0.00 H new ATOM 1369 N LYS A 86 0.867 -14.378 4.440 1.00 0.00 N ATOM 1370 CA LYS A 86 0.214 -15.718 4.389 1.00 0.00 C ATOM 1371 C LYS A 86 -1.230 -15.613 4.876 1.00 0.00 C ATOM 1372 O LYS A 86 -2.134 -16.181 4.297 1.00 0.00 O ATOM 1373 CB LYS A 86 0.972 -16.674 5.307 1.00 0.00 C ATOM 1374 CG LYS A 86 2.440 -16.710 4.898 1.00 0.00 C ATOM 1375 CD LYS A 86 3.191 -17.697 5.790 1.00 0.00 C ATOM 1376 CE LYS A 86 4.679 -17.367 5.753 1.00 0.00 C ATOM 1377 NZ LYS A 86 5.454 -18.488 6.357 1.00 0.00 N ATOM 0 H LYS A 86 1.638 -14.297 5.103 1.00 0.00 H new ATOM 0 HA LYS A 86 0.226 -16.085 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.880 -16.350 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.541 -17.673 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.531 -17.006 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.878 -15.716 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.818 -17.639 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.023 -18.718 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.000 -17.202 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.871 -16.443 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.469 -18.262 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.155 -18.625 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.280 -19.360 5.818 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.447 -14.904 5.950 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.834 -14.781 6.488 1.00 0.00 C ATOM 1393 C LYS A 87 -3.541 -13.574 5.873 1.00 0.00 C ATOM 1394 O LYS A 87 -3.030 -12.471 5.867 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.784 -14.614 8.006 1.00 0.00 C ATOM 1396 CG LYS A 87 -2.241 -15.894 8.643 1.00 0.00 C ATOM 1397 CD LYS A 87 -2.350 -15.785 10.165 1.00 0.00 C ATOM 1398 CE LYS A 87 -1.701 -17.008 10.813 1.00 0.00 C ATOM 1399 NZ LYS A 87 -1.532 -16.766 12.273 1.00 0.00 N ATOM 0 H LYS A 87 -0.729 -14.407 6.477 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.387 -15.685 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.150 -13.767 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.780 -14.398 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.803 -16.758 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.202 -16.047 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.860 -14.875 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.397 -15.716 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.319 -17.891 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.733 -17.206 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.090 -17.598 12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.925 -15.934 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.462 -16.597 12.707 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.726 -13.781 5.365 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.492 -12.658 4.756 1.00 0.00 C ATOM 1415 C GLU A 88 -6.022 -11.736 5.857 1.00 0.00 C ATOM 1416 O GLU A 88 -6.162 -10.544 5.670 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.667 -13.220 3.953 1.00 0.00 C ATOM 1418 CG GLU A 88 -7.365 -12.082 3.208 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.600 -12.625 2.488 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.865 -13.809 2.618 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -9.260 -11.848 1.817 1.00 0.00 O ATOM 0 H GLU A 88 -5.198 -14.685 5.346 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.836 -12.090 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.312 -13.969 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.371 -13.719 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.654 -11.298 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.681 -11.630 2.489 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.338 -12.282 7.002 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.877 -11.437 8.107 1.00 0.00 C ATOM 1430 C LYS A 89 -5.893 -10.312 8.413 1.00 0.00 C ATOM 1431 O LYS A 89 -6.262 -9.157 8.510 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.050 -12.298 9.357 1.00 0.00 C ATOM 1433 CG LYS A 89 -7.827 -11.512 10.416 1.00 0.00 C ATOM 1434 CD LYS A 89 -7.949 -12.353 11.687 1.00 0.00 C ATOM 1435 CE LYS A 89 -8.867 -11.642 12.683 1.00 0.00 C ATOM 1436 NZ LYS A 89 -8.537 -12.086 14.067 1.00 0.00 N ATOM 0 H LYS A 89 -6.246 -13.274 7.219 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.837 -11.015 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.582 -13.216 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.075 -12.590 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.317 -10.574 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.818 -11.256 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.349 -13.338 11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.965 -12.508 12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.747 -10.562 12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.910 -11.866 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.161 -11.603 14.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.673 -13.114 14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.547 -11.851 14.280 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.645 -10.640 8.561 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.632 -9.594 8.855 1.00 0.00 C ATOM 1452 C ASP A 90 -3.630 -8.562 7.726 1.00 0.00 C ATOM 1453 O ASP A 90 -3.474 -7.379 7.952 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.253 -10.245 8.958 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.205 -11.145 10.195 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.115 -11.058 11.003 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.259 -11.907 10.315 1.00 0.00 O ATOM 0 H ASP A 90 -4.281 -11.590 8.491 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.872 -9.100 9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.047 -10.830 8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.481 -9.478 9.023 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.803 -9.007 6.513 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.811 -8.061 5.361 1.00 0.00 C ATOM 1464 C ARG A 91 -4.904 -7.009 5.565 1.00 0.00 C ATOM 1465 O ARG A 91 -4.709 -5.839 5.299 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.103 -8.840 4.078 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.970 -7.915 2.871 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.498 -8.633 1.629 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.810 -9.950 1.492 1.00 0.00 N ATOM 1470 CZ ARG A 91 -4.439 -10.970 0.970 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -5.661 -10.838 0.530 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -3.837 -12.124 0.878 1.00 0.00 N ATOM 0 H ARG A 91 -3.940 -9.988 6.268 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.841 -7.569 5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.411 -9.677 3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.108 -9.260 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.529 -6.995 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.927 -7.633 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.575 -8.779 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.324 -8.025 0.741 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.845 -10.055 1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.131 -9.935 0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.146 -11.638 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.879 -12.228 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.324 -12.922 0.471 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.055 -7.416 6.027 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.158 -6.442 6.238 1.00 0.00 C ATOM 1488 C ASN A 92 -6.720 -5.364 7.231 1.00 0.00 C ATOM 1489 O ASN A 92 -7.016 -4.197 7.064 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.378 -7.177 6.792 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.906 -8.160 5.745 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.967 -9.349 5.987 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.298 -7.710 4.584 1.00 0.00 N ATOM 0 H ASN A 92 -6.277 -8.382 6.267 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.409 -5.971 5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.110 -7.711 7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.156 -6.461 7.058 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.655 -8.357 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.247 -6.712 4.380 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.021 -5.742 8.266 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.574 -4.742 9.261 1.00 0.00 C ATOM 1502 C ASP A 93 -4.602 -3.761 8.604 1.00 0.00 C ATOM 1503 O ASP A 93 -4.636 -2.573 8.860 1.00 0.00 O ATOM 1504 CB ASP A 93 -4.878 -5.472 10.407 1.00 0.00 C ATOM 1505 CG ASP A 93 -5.881 -6.388 11.112 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.066 -6.225 10.879 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.444 -7.236 11.870 1.00 0.00 O ATOM 0 H ASP A 93 -5.742 -6.704 8.461 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.431 -4.186 9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.041 -6.057 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.467 -4.752 11.115 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.730 -4.247 7.762 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.755 -3.339 7.093 1.00 0.00 C ATOM 1514 C LEU A 94 -3.503 -2.328 6.224 1.00 0.00 C ATOM 1515 O LEU A 94 -3.215 -1.146 6.244 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.807 -4.168 6.227 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.724 -3.262 5.642 1.00 0.00 C ATOM 1518 CD1 LEU A 94 0.099 -2.652 6.775 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.193 -4.090 4.744 1.00 0.00 C ATOM 0 H LEU A 94 -3.651 -5.232 7.509 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.181 -2.801 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.351 -4.959 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.362 -4.654 5.424 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.190 -2.466 5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.871 -2.006 6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.553 -2.066 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.567 -3.448 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.967 -3.448 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.657 -4.883 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.391 -4.531 3.936 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.471 -2.773 5.472 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.238 -1.823 4.622 1.00 0.00 C ATOM 1533 C ILE A 95 -6.036 -0.890 5.533 1.00 0.00 C ATOM 1534 O ILE A 95 -6.194 0.283 5.263 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.190 -2.600 3.714 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.392 -3.613 2.891 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.904 -1.633 2.767 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.351 -4.462 2.057 1.00 0.00 C ATOM 0 H ILE A 95 -4.762 -3.749 5.410 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.556 -1.242 4.001 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.927 -3.120 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.688 -3.095 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.805 -4.251 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.582 -2.191 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.472 -0.907 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.167 -1.112 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.782 -5.184 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.037 -4.992 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.919 -3.817 1.387 1.00 0.00 H new ATOM 1550 N THR A 96 -6.538 -1.415 6.618 1.00 0.00 N ATOM 1551 CA THR A 96 -7.325 -0.584 7.564 1.00 0.00 C ATOM 1552 C THR A 96 -6.477 0.601 8.037 1.00 0.00 C ATOM 1553 O THR A 96 -6.959 1.709 8.162 1.00 0.00 O ATOM 1554 CB THR A 96 -7.727 -1.434 8.773 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.376 -2.615 8.323 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.677 -0.638 9.668 1.00 0.00 C ATOM 0 H THR A 96 -6.434 -2.393 6.889 1.00 0.00 H new ATOM 0 HA THR A 96 -8.219 -0.213 7.062 1.00 0.00 H new ATOM 0 HB THR A 96 -6.836 -1.701 9.342 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.706 -3.306 8.138 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.961 -1.245 10.527 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.179 0.268 10.013 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.569 -0.369 9.103 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.216 0.379 8.308 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.353 1.500 8.777 1.00 0.00 C ATOM 1566 C TYR A 97 -4.319 2.595 7.710 1.00 0.00 C ATOM 1567 O TYR A 97 -4.593 3.747 7.985 1.00 0.00 O ATOM 1568 CB TYR A 97 -2.936 0.981 9.031 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.081 2.098 9.579 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.176 2.456 10.928 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.189 2.773 8.737 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.381 3.489 11.436 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.394 3.807 9.244 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.490 4.166 10.594 1.00 0.00 C ATOM 1575 OH TYR A 97 0.294 5.185 11.096 1.00 0.00 O ATOM 0 H TYR A 97 -4.751 -0.525 8.225 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.757 1.910 9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.963 0.150 9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.505 0.600 8.105 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.863 1.935 11.578 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.114 2.496 7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.454 3.764 12.478 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.293 4.328 8.594 1.00 0.00 H new ATOM 0 HH TYR A 97 0.857 5.548 10.380 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.017 2.247 6.488 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.005 3.279 5.415 1.00 0.00 C ATOM 1587 C LEU A 98 -5.430 3.789 5.232 1.00 0.00 C ATOM 1588 O LEU A 98 -5.665 4.952 4.969 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.502 2.663 4.108 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.051 2.215 4.275 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.563 1.573 2.976 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.181 3.433 4.594 1.00 0.00 C ATOM 0 H LEU A 98 -3.780 1.301 6.189 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.343 4.100 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.126 1.813 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.578 3.390 3.299 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.984 1.491 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.528 1.253 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.185 0.709 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.628 2.298 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.144 3.118 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.250 4.153 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.529 3.897 5.517 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.385 2.915 5.383 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.805 3.322 5.235 1.00 0.00 C ATOM 1606 C LYS A 99 -8.101 4.452 6.225 1.00 0.00 C ATOM 1607 O LYS A 99 -8.787 5.403 5.915 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.697 2.122 5.560 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.144 2.425 5.172 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.038 1.261 5.604 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.486 1.534 5.187 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.539 2.725 4.293 1.00 0.00 N ATOM 0 H LYS A 99 -6.239 1.930 5.604 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.996 3.662 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.345 1.241 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.638 1.892 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.474 3.348 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.220 2.577 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.688 0.334 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.980 1.128 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.896 0.664 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.102 1.703 6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.529 2.936 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.118 3.543 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.007 2.529 3.421 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.578 4.348 7.417 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.814 5.407 8.439 1.00 0.00 C ATOM 1628 C LYS A 100 -7.291 6.743 7.915 1.00 0.00 C ATOM 1629 O LYS A 100 -7.902 7.778 8.101 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.063 5.041 9.717 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.367 6.067 10.806 1.00 0.00 C ATOM 1632 CD LYS A 100 -6.513 5.761 12.034 1.00 0.00 C ATOM 1633 CE LYS A 100 -6.949 6.650 13.201 1.00 0.00 C ATOM 1634 NZ LYS A 100 -5.804 6.835 14.138 1.00 0.00 N ATOM 0 H LYS A 100 -6.995 3.571 7.728 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.881 5.488 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.357 4.046 10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.991 5.009 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.157 7.073 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.425 6.036 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.615 4.711 12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.460 5.931 11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.288 7.617 12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.791 6.196 13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.099 7.439 14.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.500 5.909 14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.013 7.286 13.635 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.164 6.727 7.266 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.594 7.995 6.731 1.00 0.00 C ATOM 1650 C ALA A 101 -6.604 8.650 5.789 1.00 0.00 C ATOM 1651 O ALA A 101 -6.688 9.858 5.697 1.00 0.00 O ATOM 1652 CB ALA A 101 -4.305 7.692 5.965 1.00 0.00 C ATOM 0 H ALA A 101 -5.610 5.890 7.082 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.375 8.672 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.888 8.620 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.584 7.225 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.523 7.015 5.139 1.00 0.00 H new