USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 773 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 44 ASN : amide:sc= -0.864 X(o=-1,f=-0.83!) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.763 K(o=-1,f=-6.3!) USER MOD Set 1.3: A 49 CYS SG : rot -15:sc= 0.584 USER MOD Set 2.1: A 31 THR OG1 : rot -108:sc= 0.556 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0.542 USER MOD Set 2.3: A 73 HIS : no HD1:sc= -2.12 X(o=-1,f=-0.59) USER MOD Set 3.1: A 12 ASN : amide:sc= -1.27 K(o=-0.9,f=-6.6!) USER MOD Set 3.2: A 84 TYR OH : rot -121:sc= 0.37 USER MOD Single : A 6 SER OG : rot -12:sc= -0.153 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 79:sc= -1.65 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.125 (180deg=-0.338) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.19) USER MOD Single : A 61 HIS : no HD1:sc= -0.326 X(o=-0.33,f=0.047) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0972) USER MOD Single : A 69 ASN :FLIP amide:sc= -1.2 F(o=-2.8!,f=-1.2) USER MOD Single : A 76 SER OG : rot -87:sc= 0.366 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.797 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 96 TYR OH : rot 90:sc= -2.63! USER MOD Single : A 99 SER OG : rot 180:sc=-0.00519 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 2.874 -8.767 -3.421 1.00 0.00 N ATOM 63 CA GLU A 5 2.968 -7.507 -4.147 1.00 0.00 C ATOM 64 C GLU A 5 1.616 -6.810 -4.193 1.00 0.00 C ATOM 65 O GLU A 5 1.377 -5.836 -3.479 1.00 0.00 O ATOM 66 CB GLU A 5 3.488 -7.749 -5.566 1.00 0.00 C ATOM 67 CG GLU A 5 4.755 -6.974 -5.890 1.00 0.00 C ATOM 68 CD GLU A 5 5.041 -6.920 -7.378 1.00 0.00 C ATOM 69 OE1 GLU A 5 4.894 -7.963 -8.050 1.00 0.00 O ATOM 70 OE2 GLU A 5 5.412 -5.835 -7.873 1.00 0.00 O ATOM 0 HA GLU A 5 3.670 -6.860 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.680 -8.814 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.712 -7.475 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.664 -5.959 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.600 -7.435 -5.378 1.00 0.00 H new ATOM 77 N SER A 6 0.738 -7.326 -5.035 1.00 0.00 N ATOM 78 CA SER A 6 -0.602 -6.771 -5.186 1.00 0.00 C ATOM 79 C SER A 6 -1.497 -7.208 -4.031 1.00 0.00 C ATOM 80 O SER A 6 -1.140 -8.102 -3.263 1.00 0.00 O ATOM 81 CB SER A 6 -1.214 -7.212 -6.517 1.00 0.00 C ATOM 82 OG SER A 6 -1.980 -6.170 -7.096 1.00 0.00 O ATOM 0 H SER A 6 0.927 -8.133 -5.629 1.00 0.00 H new ATOM 0 HA SER A 6 -0.525 -5.684 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.422 -7.510 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.845 -8.087 -6.359 1.00 0.00 H new ATOM 0 HG SER A 6 -2.121 -5.461 -6.434 1.00 0.00 H new ATOM 88 N ILE A 7 -2.660 -6.576 -3.911 1.00 0.00 N ATOM 89 CA ILE A 7 -3.598 -6.906 -2.846 1.00 0.00 C ATOM 90 C ILE A 7 -4.938 -7.363 -3.414 1.00 0.00 C ATOM 91 O ILE A 7 -5.493 -6.727 -4.310 1.00 0.00 O ATOM 92 CB ILE A 7 -3.829 -5.706 -1.905 1.00 0.00 C ATOM 93 CG1 ILE A 7 -4.677 -6.128 -0.702 1.00 0.00 C ATOM 94 CG2 ILE A 7 -4.491 -4.559 -2.656 1.00 0.00 C ATOM 95 CD1 ILE A 7 -5.045 -4.981 0.215 1.00 0.00 C ATOM 0 H ILE A 7 -2.974 -5.834 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.153 -7.721 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.862 -5.360 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.590 -6.602 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.132 -6.879 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.646 -3.721 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.849 -4.245 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.452 -4.889 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.645 -5.356 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.137 -4.520 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.618 -4.240 -0.342 1.00 0.00 H new ATOM 107 N ARG A 8 -5.452 -8.468 -2.885 1.00 0.00 N ATOM 108 CA ARG A 8 -6.728 -9.009 -3.338 1.00 0.00 C ATOM 109 C ARG A 8 -7.743 -9.028 -2.199 1.00 0.00 C ATOM 110 O ARG A 8 -8.056 -10.083 -1.648 1.00 0.00 O ATOM 111 CB ARG A 8 -6.540 -10.421 -3.895 1.00 0.00 C ATOM 112 CG ARG A 8 -7.472 -10.747 -5.052 1.00 0.00 C ATOM 113 CD ARG A 8 -6.996 -11.967 -5.824 1.00 0.00 C ATOM 114 NE ARG A 8 -7.168 -11.803 -7.266 1.00 0.00 N ATOM 115 CZ ARG A 8 -8.352 -11.788 -7.873 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.469 -11.924 -7.168 1.00 0.00 N ATOM 117 NH2 ARG A 8 -8.421 -11.636 -9.188 1.00 0.00 N ATOM 0 H ARG A 8 -5.005 -9.006 -2.143 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.108 -8.364 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.508 -10.538 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.701 -11.143 -3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.478 -10.926 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.533 -9.891 -5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.944 -12.149 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.548 -12.845 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.332 -11.694 -7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.422 -12.041 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.374 -11.912 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.566 -11.531 -9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.329 -11.625 -9.653 1.00 0.00 H new ATOM 131 N PHE A 9 -8.255 -7.851 -1.852 1.00 0.00 N ATOM 132 CA PHE A 9 -9.236 -7.732 -0.781 1.00 0.00 C ATOM 133 C PHE A 9 -10.646 -7.621 -1.352 1.00 0.00 C ATOM 134 O PHE A 9 -11.071 -6.550 -1.785 1.00 0.00 O ATOM 135 CB PHE A 9 -8.922 -6.519 0.102 1.00 0.00 C ATOM 136 CG PHE A 9 -9.000 -5.200 -0.616 1.00 0.00 C ATOM 137 CD1 PHE A 9 -7.964 -4.779 -1.435 1.00 0.00 C ATOM 138 CD2 PHE A 9 -10.106 -4.379 -0.466 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.031 -3.565 -2.093 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.178 -3.163 -1.121 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.140 -2.757 -1.935 1.00 0.00 C ATOM 0 H PHE A 9 -8.006 -6.967 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.183 -8.632 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.617 -6.505 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.921 -6.635 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.094 -5.407 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.921 -4.692 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.218 -3.249 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.045 -2.532 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.195 -1.808 -2.448 1.00 0.00 H new ATOM 151 N GLY A 10 -11.365 -8.740 -1.358 1.00 0.00 N ATOM 152 CA GLY A 10 -12.716 -8.748 -1.886 1.00 0.00 C ATOM 153 C GLY A 10 -12.749 -8.481 -3.380 1.00 0.00 C ATOM 154 O GLY A 10 -11.883 -8.957 -4.113 1.00 0.00 O ATOM 0 H GLY A 10 -11.036 -9.639 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.179 -9.713 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.310 -7.994 -1.371 1.00 0.00 H new ATOM 158 N PRO A 11 -13.742 -7.716 -3.866 1.00 0.00 N ATOM 159 CA PRO A 11 -13.867 -7.395 -5.287 1.00 0.00 C ATOM 160 C PRO A 11 -13.014 -6.196 -5.700 1.00 0.00 C ATOM 161 O PRO A 11 -13.225 -5.613 -6.763 1.00 0.00 O ATOM 162 CB PRO A 11 -15.350 -7.065 -5.421 1.00 0.00 C ATOM 163 CG PRO A 11 -15.717 -6.461 -4.107 1.00 0.00 C ATOM 164 CD PRO A 11 -14.825 -7.105 -3.071 1.00 0.00 C ATOM 0 HA PRO A 11 -13.525 -8.209 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.530 -6.370 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.939 -7.959 -5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.574 -5.381 -4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.768 -6.640 -3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.437 -6.370 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.364 -7.852 -2.489 1.00 0.00 H new ATOM 172 N ASN A 12 -12.052 -5.830 -4.855 1.00 0.00 N ATOM 173 CA ASN A 12 -11.177 -4.699 -5.139 1.00 0.00 C ATOM 174 C ASN A 12 -9.723 -5.146 -5.260 1.00 0.00 C ATOM 175 O ASN A 12 -9.136 -5.649 -4.302 1.00 0.00 O ATOM 176 CB ASN A 12 -11.303 -3.643 -4.040 1.00 0.00 C ATOM 177 CG ASN A 12 -12.509 -2.745 -4.234 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.408 -1.668 -4.822 1.00 0.00 O ATOM 179 ND2 ASN A 12 -13.660 -3.185 -3.738 1.00 0.00 N ATOM 0 H ASN A 12 -11.861 -6.300 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.486 -4.267 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.374 -4.138 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.399 -3.034 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.506 -2.624 -3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.698 -4.084 -3.258 1.00 0.00 H new ATOM 186 N VAL A 13 -9.147 -4.953 -6.441 1.00 0.00 N ATOM 187 CA VAL A 13 -7.760 -5.328 -6.687 1.00 0.00 C ATOM 188 C VAL A 13 -6.904 -4.094 -6.950 1.00 0.00 C ATOM 189 O VAL A 13 -7.080 -3.410 -7.959 1.00 0.00 O ATOM 190 CB VAL A 13 -7.640 -6.287 -7.887 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.221 -6.820 -8.006 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.637 -7.428 -7.760 1.00 0.00 C ATOM 0 H VAL A 13 -9.620 -4.538 -7.244 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.403 -5.836 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.872 -5.732 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.156 -7.495 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.531 -5.988 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.957 -7.359 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.538 -8.095 -8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.440 -7.983 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.649 -7.025 -7.730 1.00 0.00 H new ATOM 202 N PHE A 14 -5.981 -3.810 -6.037 1.00 0.00 N ATOM 203 CA PHE A 14 -5.105 -2.652 -6.177 1.00 0.00 C ATOM 204 C PHE A 14 -3.719 -3.070 -6.654 1.00 0.00 C ATOM 205 O PHE A 14 -2.940 -3.650 -5.899 1.00 0.00 O ATOM 206 CB PHE A 14 -4.995 -1.904 -4.848 1.00 0.00 C ATOM 207 CG PHE A 14 -4.167 -0.653 -4.932 1.00 0.00 C ATOM 208 CD1 PHE A 14 -4.483 0.343 -5.842 1.00 0.00 C ATOM 209 CD2 PHE A 14 -3.072 -0.475 -4.102 1.00 0.00 C ATOM 210 CE1 PHE A 14 -3.723 1.494 -5.922 1.00 0.00 C ATOM 211 CE2 PHE A 14 -2.308 0.674 -4.177 1.00 0.00 C ATOM 212 CZ PHE A 14 -2.634 1.660 -5.089 1.00 0.00 C ATOM 0 H PHE A 14 -5.820 -4.363 -5.195 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.541 -1.989 -6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.996 -1.646 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.561 -2.568 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.333 0.218 -6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.813 -1.243 -3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.980 2.263 -6.635 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.457 0.801 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.038 2.559 -5.150 1.00 0.00 H new ATOM 222 N TYR A 15 -3.419 -2.767 -7.912 1.00 0.00 N ATOM 223 CA TYR A 15 -2.126 -3.106 -8.491 1.00 0.00 C ATOM 224 C TYR A 15 -1.035 -2.189 -7.949 1.00 0.00 C ATOM 225 O TYR A 15 -1.005 -0.998 -8.254 1.00 0.00 O ATOM 226 CB TYR A 15 -2.185 -3.004 -10.016 1.00 0.00 C ATOM 227 CG TYR A 15 -3.198 -3.932 -10.647 1.00 0.00 C ATOM 228 CD1 TYR A 15 -3.095 -5.310 -10.497 1.00 0.00 C ATOM 229 CD2 TYR A 15 -4.258 -3.430 -11.392 1.00 0.00 C ATOM 230 CE1 TYR A 15 -4.019 -6.161 -11.073 1.00 0.00 C ATOM 231 CE2 TYR A 15 -5.186 -4.275 -11.970 1.00 0.00 C ATOM 232 CZ TYR A 15 -5.063 -5.639 -11.808 1.00 0.00 C ATOM 233 OH TYR A 15 -5.985 -6.483 -12.382 1.00 0.00 O ATOM 0 H TYR A 15 -4.054 -2.287 -8.550 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.886 -4.132 -8.213 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.423 -1.977 -10.294 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.199 -3.224 -10.425 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.280 -5.722 -9.921 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.358 -2.362 -11.521 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.924 -7.230 -10.948 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.004 -3.869 -12.546 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.656 -5.956 -12.864 1.00 0.00 H new ATOM 243 N VAL A 16 -0.143 -2.751 -7.142 1.00 0.00 N ATOM 244 CA VAL A 16 0.948 -1.980 -6.557 1.00 0.00 C ATOM 245 C VAL A 16 1.852 -1.384 -7.635 1.00 0.00 C ATOM 246 O VAL A 16 2.605 -0.446 -7.375 1.00 0.00 O ATOM 247 CB VAL A 16 1.802 -2.841 -5.607 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.102 -3.010 -4.267 1.00 0.00 C ATOM 249 CG2 VAL A 16 2.106 -4.194 -6.233 1.00 0.00 C ATOM 0 H VAL A 16 -0.153 -3.736 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 16 0.487 -1.172 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 16 2.748 -2.328 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.719 -3.621 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.945 -2.032 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.140 -3.499 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.710 -4.786 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.172 -4.718 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.654 -4.049 -7.164 1.00 0.00 H new ATOM 259 N LEU A 17 1.777 -1.934 -8.845 1.00 0.00 N ATOM 260 CA LEU A 17 2.593 -1.453 -9.954 1.00 0.00 C ATOM 261 C LEU A 17 1.779 -0.571 -10.897 1.00 0.00 C ATOM 262 O LEU A 17 2.307 0.366 -11.494 1.00 0.00 O ATOM 263 CB LEU A 17 3.185 -2.634 -10.725 1.00 0.00 C ATOM 264 CG LEU A 17 3.856 -3.702 -9.857 1.00 0.00 C ATOM 265 CD1 LEU A 17 3.492 -5.096 -10.346 1.00 0.00 C ATOM 266 CD2 LEU A 17 5.367 -3.515 -9.853 1.00 0.00 C ATOM 0 H LEU A 17 1.160 -2.712 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 17 3.402 -0.852 -9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.391 -3.105 -11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.917 -2.253 -11.437 1.00 0.00 H new ATOM 0 HG LEU A 17 3.493 -3.591 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.979 -5.841 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.411 -5.228 -10.296 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.825 -5.219 -11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.827 -4.283 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.747 -3.597 -10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.611 -2.531 -9.454 1.00 0.00 H new ATOM 278 N LYS A 18 0.492 -0.877 -11.030 1.00 0.00 N ATOM 279 CA LYS A 18 -0.389 -0.110 -11.905 1.00 0.00 C ATOM 280 C LYS A 18 -0.936 1.121 -11.189 1.00 0.00 C ATOM 281 O LYS A 18 -1.146 2.167 -11.804 1.00 0.00 O ATOM 282 CB LYS A 18 -1.545 -0.985 -12.396 1.00 0.00 C ATOM 283 CG LYS A 18 -1.882 -0.779 -13.863 1.00 0.00 C ATOM 284 CD LYS A 18 -2.499 -2.026 -14.475 1.00 0.00 C ATOM 285 CE LYS A 18 -2.902 -1.797 -15.923 1.00 0.00 C ATOM 286 NZ LYS A 18 -2.021 -2.537 -16.869 1.00 0.00 N ATOM 0 H LYS A 18 0.036 -1.649 -10.544 1.00 0.00 H new ATOM 0 HA LYS A 18 0.196 0.223 -12.763 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.291 -2.033 -12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.430 -0.774 -11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.574 0.057 -13.964 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.978 -0.513 -14.411 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.787 -2.849 -14.421 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.373 -2.322 -13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.935 -2.113 -16.066 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.861 -0.731 -16.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.329 -2.354 -17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.038 -2.218 -16.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.080 -3.557 -16.673 1.00 0.00 H new ATOM 300 N LEU A 19 -1.167 0.989 -9.887 1.00 0.00 N ATOM 301 CA LEU A 19 -1.691 2.090 -9.085 1.00 0.00 C ATOM 302 C LEU A 19 -3.115 2.442 -9.508 1.00 0.00 C ATOM 303 O LEU A 19 -3.406 3.584 -9.865 1.00 0.00 O ATOM 304 CB LEU A 19 -0.786 3.319 -9.209 1.00 0.00 C ATOM 305 CG LEU A 19 0.701 3.051 -8.978 1.00 0.00 C ATOM 306 CD1 LEU A 19 1.550 3.991 -9.819 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.045 3.196 -7.503 1.00 0.00 C ATOM 0 H LEU A 19 -1.000 0.130 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.711 1.770 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.913 3.746 -10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.120 4.071 -8.494 1.00 0.00 H new ATOM 0 HG LEU A 19 0.918 2.027 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.606 3.785 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.324 3.840 -10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.330 5.023 -9.545 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.107 3.002 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.812 4.208 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.462 2.482 -6.922 1.00 0.00 H new ATOM 319 N THR A 20 -3.999 1.451 -9.463 1.00 0.00 N ATOM 320 CA THR A 20 -5.394 1.649 -9.838 1.00 0.00 C ATOM 321 C THR A 20 -6.282 0.590 -9.194 1.00 0.00 C ATOM 322 O THR A 20 -6.275 -0.572 -9.603 1.00 0.00 O ATOM 323 CB THR A 20 -5.547 1.602 -11.359 1.00 0.00 C ATOM 324 OG1 THR A 20 -4.431 2.200 -11.994 1.00 0.00 O ATOM 325 CG2 THR A 20 -6.791 2.305 -11.859 1.00 0.00 C ATOM 0 H THR A 20 -3.773 0.500 -9.170 1.00 0.00 H new ATOM 0 HA THR A 20 -5.706 2.630 -9.479 1.00 0.00 H new ATOM 0 HB THR A 20 -5.623 0.544 -11.608 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.547 2.159 -12.966 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.837 2.234 -12.946 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.674 1.834 -11.426 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.759 3.354 -11.565 1.00 0.00 H new ATOM 333 N VAL A 21 -7.042 0.996 -8.182 1.00 0.00 N ATOM 334 CA VAL A 21 -7.933 0.079 -7.481 1.00 0.00 C ATOM 335 C VAL A 21 -9.116 -0.319 -8.358 1.00 0.00 C ATOM 336 O VAL A 21 -9.885 0.533 -8.803 1.00 0.00 O ATOM 337 CB VAL A 21 -8.462 0.697 -6.171 1.00 0.00 C ATOM 338 CG1 VAL A 21 -9.264 -0.326 -5.380 1.00 0.00 C ATOM 339 CG2 VAL A 21 -7.313 1.243 -5.336 1.00 0.00 C ATOM 0 H VAL A 21 -7.059 1.953 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.347 -0.809 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.124 1.525 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.628 0.130 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.111 -0.665 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.628 -1.177 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.705 1.675 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.624 0.434 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.785 2.011 -5.901 1.00 0.00 H new ATOM 349 N GLU A 22 -9.255 -1.618 -8.601 1.00 0.00 N ATOM 350 CA GLU A 22 -10.344 -2.131 -9.424 1.00 0.00 C ATOM 351 C GLU A 22 -11.624 -2.269 -8.603 1.00 0.00 C ATOM 352 O GLU A 22 -11.921 -3.339 -8.072 1.00 0.00 O ATOM 353 CB GLU A 22 -9.959 -3.483 -10.031 1.00 0.00 C ATOM 354 CG GLU A 22 -10.118 -3.539 -11.542 1.00 0.00 C ATOM 355 CD GLU A 22 -8.858 -3.126 -12.276 1.00 0.00 C ATOM 356 OE1 GLU A 22 -8.358 -2.010 -12.018 1.00 0.00 O ATOM 357 OE2 GLU A 22 -8.369 -3.918 -13.109 1.00 0.00 O ATOM 0 H GLU A 22 -8.626 -2.335 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.527 -1.421 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.923 -3.705 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.573 -4.262 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.391 -4.552 -11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.939 -2.887 -11.842 1.00 0.00 H new ATOM 364 N THR A 23 -12.377 -1.179 -8.503 1.00 0.00 N ATOM 365 CA THR A 23 -13.623 -1.178 -7.746 1.00 0.00 C ATOM 366 C THR A 23 -14.708 -1.964 -8.479 1.00 0.00 C ATOM 367 O THR A 23 -14.629 -2.166 -9.691 1.00 0.00 O ATOM 368 CB THR A 23 -14.095 0.258 -7.493 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.308 1.184 -8.223 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.039 0.658 -6.034 1.00 0.00 C ATOM 0 H THR A 23 -12.146 -0.285 -8.937 1.00 0.00 H new ATOM 0 HA THR A 23 -13.435 -1.662 -6.788 1.00 0.00 H new ATOM 0 HB THR A 23 -15.134 0.281 -7.821 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.627 2.094 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.386 1.685 -5.925 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.678 -0.005 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.013 0.582 -5.675 1.00 0.00 H new ATOM 378 N PRO A 24 -15.740 -2.419 -7.748 1.00 0.00 N ATOM 379 CA PRO A 24 -16.845 -3.186 -8.327 1.00 0.00 C ATOM 380 C PRO A 24 -17.407 -2.536 -9.588 1.00 0.00 C ATOM 381 O PRO A 24 -17.588 -3.196 -10.611 1.00 0.00 O ATOM 382 CB PRO A 24 -17.890 -3.182 -7.212 1.00 0.00 C ATOM 383 CG PRO A 24 -17.104 -3.065 -5.957 1.00 0.00 C ATOM 384 CD PRO A 24 -15.908 -2.221 -6.296 1.00 0.00 C ATOM 0 HA PRO A 24 -16.534 -4.183 -8.640 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.584 -2.349 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.484 -4.096 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.696 -2.603 -5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.799 -4.047 -5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.076 -1.172 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.024 -2.539 -5.744 1.00 0.00 H new ATOM 392 N GLU A 25 -17.682 -1.239 -9.505 1.00 0.00 N ATOM 393 CA GLU A 25 -18.223 -0.498 -10.639 1.00 0.00 C ATOM 394 C GLU A 25 -17.122 -0.142 -11.632 1.00 0.00 C ATOM 395 O GLU A 25 -17.163 -0.551 -12.792 1.00 0.00 O ATOM 396 CB GLU A 25 -18.923 0.773 -10.156 1.00 0.00 C ATOM 397 CG GLU A 25 -20.210 1.081 -10.904 1.00 0.00 C ATOM 398 CD GLU A 25 -19.982 1.962 -12.117 1.00 0.00 C ATOM 399 OE1 GLU A 25 -19.458 3.082 -11.946 1.00 0.00 O ATOM 400 OE2 GLU A 25 -20.328 1.531 -13.237 1.00 0.00 O ATOM 0 H GLU A 25 -17.539 -0.679 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.949 -1.134 -11.144 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.145 0.674 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.240 1.616 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.675 0.147 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.910 1.573 -10.228 1.00 0.00 H new ATOM 407 N GLY A 26 -16.139 0.622 -11.168 1.00 0.00 N ATOM 408 CA GLY A 26 -15.040 1.021 -12.028 1.00 0.00 C ATOM 409 C GLY A 26 -13.697 0.941 -11.329 1.00 0.00 C ATOM 410 O GLY A 26 -13.467 0.048 -10.513 1.00 0.00 O ATOM 0 H GLY A 26 -16.084 0.972 -10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.024 0.383 -12.912 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.206 2.041 -12.374 1.00 0.00 H new ATOM 414 N SER A 27 -12.808 1.876 -11.649 1.00 0.00 N ATOM 415 CA SER A 27 -11.480 1.908 -11.046 1.00 0.00 C ATOM 416 C SER A 27 -11.260 3.211 -10.285 1.00 0.00 C ATOM 417 O SER A 27 -11.968 4.195 -10.502 1.00 0.00 O ATOM 418 CB SER A 27 -10.405 1.742 -12.122 1.00 0.00 C ATOM 419 OG SER A 27 -10.905 1.028 -13.239 1.00 0.00 O ATOM 0 H SER A 27 -12.983 2.622 -12.323 1.00 0.00 H new ATOM 0 HA SER A 27 -11.408 1.081 -10.340 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.052 2.722 -12.442 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.547 1.215 -11.705 1.00 0.00 H new ATOM 0 HG SER A 27 -10.199 0.937 -13.912 1.00 0.00 H new ATOM 425 N VAL A 28 -10.275 3.211 -9.392 1.00 0.00 N ATOM 426 CA VAL A 28 -9.964 4.395 -8.598 1.00 0.00 C ATOM 427 C VAL A 28 -8.544 4.883 -8.870 1.00 0.00 C ATOM 428 O VAL A 28 -7.577 4.148 -8.672 1.00 0.00 O ATOM 429 CB VAL A 28 -10.117 4.118 -7.090 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.007 5.409 -6.295 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.438 3.418 -6.806 1.00 0.00 C ATOM 0 H VAL A 28 -9.679 2.406 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.675 5.167 -8.893 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.308 3.457 -6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.118 5.193 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.033 5.864 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.792 6.097 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.528 3.231 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.263 4.050 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.471 2.471 -7.344 1.00 0.00 H new ATOM 441 N HIS A 29 -8.427 6.127 -9.322 1.00 0.00 N ATOM 442 CA HIS A 29 -7.125 6.714 -9.617 1.00 0.00 C ATOM 443 C HIS A 29 -6.535 7.374 -8.375 1.00 0.00 C ATOM 444 O HIS A 29 -7.259 7.708 -7.437 1.00 0.00 O ATOM 445 CB HIS A 29 -7.247 7.739 -10.746 1.00 0.00 C ATOM 446 CG HIS A 29 -6.076 7.743 -11.678 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.985 8.570 -11.513 1.00 0.00 N ATOM 448 CD2 HIS A 29 -5.826 7.013 -12.791 1.00 0.00 C ATOM 449 CE1 HIS A 29 -4.116 8.349 -12.483 1.00 0.00 C ATOM 450 NE2 HIS A 29 -4.603 7.409 -13.271 1.00 0.00 N ATOM 0 H HIS A 29 -9.218 6.748 -9.492 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.456 5.914 -9.935 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.154 7.534 -11.315 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.360 8.733 -10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.469 6.260 -13.221 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.169 8.852 -12.610 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.144 7.037 -14.103 1.00 0.00 H new ATOM 459 N LEU A 30 -5.218 7.555 -8.372 1.00 0.00 N ATOM 460 CA LEU A 30 -4.537 8.171 -7.239 1.00 0.00 C ATOM 461 C LEU A 30 -3.083 8.483 -7.574 1.00 0.00 C ATOM 462 O LEU A 30 -2.565 8.048 -8.602 1.00 0.00 O ATOM 463 CB LEU A 30 -4.596 7.241 -6.026 1.00 0.00 C ATOM 464 CG LEU A 30 -4.188 5.792 -6.303 1.00 0.00 C ATOM 465 CD1 LEU A 30 -2.718 5.711 -6.683 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.472 4.919 -5.093 1.00 0.00 C ATOM 0 H LEU A 30 -4.603 7.285 -9.139 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.045 9.107 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.948 7.643 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.612 7.248 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.780 5.425 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.449 4.673 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.541 6.304 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.109 6.098 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.176 3.892 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.907 5.288 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.537 4.949 -4.865 1.00 0.00 H new ATOM 478 N THR A 31 -2.424 9.226 -6.690 1.00 0.00 N ATOM 479 CA THR A 31 -1.023 9.579 -6.884 1.00 0.00 C ATOM 480 C THR A 31 -0.125 8.449 -6.376 1.00 0.00 C ATOM 481 O THR A 31 -0.372 7.886 -5.310 1.00 0.00 O ATOM 482 CB THR A 31 -0.697 10.891 -6.162 1.00 0.00 C ATOM 483 OG1 THR A 31 0.582 11.368 -6.538 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.717 10.771 -4.653 1.00 0.00 C ATOM 0 H THR A 31 -2.838 9.595 -5.834 1.00 0.00 H new ATOM 0 HA THR A 31 -0.839 9.721 -7.949 1.00 0.00 H new ATOM 0 HB THR A 31 -1.482 11.585 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.205 11.258 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.478 11.737 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.708 10.457 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.020 10.033 -4.337 1.00 0.00 H new ATOM 492 N PRO A 32 0.920 8.085 -7.141 1.00 0.00 N ATOM 493 CA PRO A 32 1.832 6.999 -6.761 1.00 0.00 C ATOM 494 C PRO A 32 2.705 7.333 -5.558 1.00 0.00 C ATOM 495 O PRO A 32 3.277 6.441 -4.933 1.00 0.00 O ATOM 496 CB PRO A 32 2.696 6.805 -8.009 1.00 0.00 C ATOM 497 CG PRO A 32 2.651 8.119 -8.709 1.00 0.00 C ATOM 498 CD PRO A 32 1.283 8.682 -8.439 1.00 0.00 C ATOM 0 HA PRO A 32 1.280 6.110 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.718 6.532 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.306 6.007 -8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.429 8.786 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.819 7.998 -9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.299 9.771 -8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.574 8.408 -9.220 1.00 0.00 H new ATOM 506 N SER A 33 2.808 8.613 -5.234 1.00 0.00 N ATOM 507 CA SER A 33 3.618 9.037 -4.099 1.00 0.00 C ATOM 508 C SER A 33 2.906 8.738 -2.796 1.00 0.00 C ATOM 509 O SER A 33 3.524 8.304 -1.825 1.00 0.00 O ATOM 510 CB SER A 33 3.953 10.526 -4.196 1.00 0.00 C ATOM 511 OG SER A 33 2.839 11.271 -4.656 1.00 0.00 O ATOM 0 H SER A 33 2.346 9.372 -5.735 1.00 0.00 H new ATOM 0 HA SER A 33 4.552 8.475 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.264 10.896 -3.219 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.795 10.669 -4.873 1.00 0.00 H new ATOM 0 HG SER A 33 3.079 12.220 -4.708 1.00 0.00 H new ATOM 517 N GLU A 34 1.604 8.944 -2.791 1.00 0.00 N ATOM 518 CA GLU A 34 0.804 8.666 -1.612 1.00 0.00 C ATOM 519 C GLU A 34 0.428 7.202 -1.604 1.00 0.00 C ATOM 520 O GLU A 34 0.497 6.528 -0.577 1.00 0.00 O ATOM 521 CB GLU A 34 -0.444 9.549 -1.575 1.00 0.00 C ATOM 522 CG GLU A 34 -0.132 11.036 -1.532 1.00 0.00 C ATOM 523 CD GLU A 34 -1.358 11.894 -1.770 1.00 0.00 C ATOM 524 OE1 GLU A 34 -2.466 11.464 -1.386 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.211 12.996 -2.340 1.00 0.00 O ATOM 0 H GLU A 34 1.077 9.302 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 34 1.389 8.893 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.054 9.339 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.041 9.285 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.299 11.285 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.621 11.268 -2.285 1.00 0.00 H new ATOM 532 N SER A 35 0.081 6.703 -2.772 1.00 0.00 N ATOM 533 CA SER A 35 -0.252 5.303 -2.913 1.00 0.00 C ATOM 534 C SER A 35 1.028 4.476 -2.812 1.00 0.00 C ATOM 535 O SER A 35 0.982 3.259 -2.632 1.00 0.00 O ATOM 536 CB SER A 35 -0.975 5.053 -4.238 1.00 0.00 C ATOM 537 OG SER A 35 -0.099 4.520 -5.217 1.00 0.00 O ATOM 0 H SER A 35 0.023 7.245 -3.634 1.00 0.00 H new ATOM 0 HA SER A 35 -0.930 5.003 -2.114 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.804 4.364 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.403 5.987 -4.602 1.00 0.00 H new ATOM 0 HG SER A 35 0.029 3.562 -5.054 1.00 0.00 H new ATOM 543 N GLY A 36 2.178 5.158 -2.908 1.00 0.00 N ATOM 544 CA GLY A 36 3.451 4.481 -2.802 1.00 0.00 C ATOM 545 C GLY A 36 3.729 4.031 -1.386 1.00 0.00 C ATOM 546 O GLY A 36 4.348 2.990 -1.166 1.00 0.00 O ATOM 0 H GLY A 36 2.240 6.165 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.460 3.617 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.247 5.148 -3.135 1.00 0.00 H new ATOM 550 N ILE A 37 3.256 4.813 -0.422 1.00 0.00 N ATOM 551 CA ILE A 37 3.447 4.476 0.985 1.00 0.00 C ATOM 552 C ILE A 37 2.615 3.259 1.353 1.00 0.00 C ATOM 553 O ILE A 37 3.049 2.399 2.120 1.00 0.00 O ATOM 554 CB ILE A 37 3.073 5.646 1.917 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.862 6.900 1.541 1.00 0.00 C ATOM 556 CG2 ILE A 37 3.328 5.272 3.371 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.041 7.924 0.798 1.00 0.00 C ATOM 0 H ILE A 37 2.741 5.678 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 37 4.507 4.259 1.120 1.00 0.00 H new ATOM 0 HB ILE A 37 2.010 5.857 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.262 7.354 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.715 6.613 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.059 6.109 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.725 4.403 3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.383 5.035 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.663 8.788 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.663 7.486 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.203 8.239 1.420 1.00 0.00 H new ATOM 569 N LEU A 38 1.423 3.191 0.785 1.00 0.00 N ATOM 570 CA LEU A 38 0.522 2.074 1.029 1.00 0.00 C ATOM 571 C LEU A 38 1.069 0.806 0.385 1.00 0.00 C ATOM 572 O LEU A 38 0.730 -0.307 0.788 1.00 0.00 O ATOM 573 CB LEU A 38 -0.876 2.385 0.486 1.00 0.00 C ATOM 574 CG LEU A 38 -1.841 1.194 0.444 1.00 0.00 C ATOM 575 CD1 LEU A 38 -3.207 1.582 0.994 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.968 0.663 -0.977 1.00 0.00 C ATOM 0 H LEU A 38 1.054 3.898 0.149 1.00 0.00 H new ATOM 0 HA LEU A 38 0.448 1.917 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.320 3.170 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.775 2.786 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.434 0.404 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.874 0.721 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.103 1.912 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.624 2.392 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.656 -0.182 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.349 1.451 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.990 0.340 -1.333 1.00 0.00 H new ATOM 588 N LYS A 39 1.922 0.985 -0.618 1.00 0.00 N ATOM 589 CA LYS A 39 2.526 -0.138 -1.319 1.00 0.00 C ATOM 590 C LYS A 39 3.574 -0.811 -0.447 1.00 0.00 C ATOM 591 O LYS A 39 3.772 -2.023 -0.518 1.00 0.00 O ATOM 592 CB LYS A 39 3.154 0.327 -2.634 1.00 0.00 C ATOM 593 CG LYS A 39 3.750 -0.803 -3.457 1.00 0.00 C ATOM 594 CD LYS A 39 5.266 -0.842 -3.337 1.00 0.00 C ATOM 595 CE LYS A 39 5.848 -2.060 -4.034 1.00 0.00 C ATOM 596 NZ LYS A 39 7.313 -2.186 -3.802 1.00 0.00 N ATOM 0 H LYS A 39 2.210 1.901 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 39 1.743 -0.862 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.396 0.837 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.934 1.057 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.333 -1.754 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.470 -0.679 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.690 0.064 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.549 -0.854 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.345 -2.958 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.655 -1.992 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.671 -3.029 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.796 -1.341 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.496 -2.276 -2.782 1.00 0.00 H new ATOM 610 N ARG A 40 4.236 -0.016 0.381 1.00 0.00 N ATOM 611 CA ARG A 40 5.261 -0.540 1.276 1.00 0.00 C ATOM 612 C ARG A 40 4.625 -1.203 2.487 1.00 0.00 C ATOM 613 O ARG A 40 5.161 -2.164 3.038 1.00 0.00 O ATOM 614 CB ARG A 40 6.212 0.574 1.718 1.00 0.00 C ATOM 615 CG ARG A 40 7.017 1.173 0.576 1.00 0.00 C ATOM 616 CD ARG A 40 7.135 2.683 0.709 1.00 0.00 C ATOM 617 NE ARG A 40 7.245 3.341 -0.591 1.00 0.00 N ATOM 618 CZ ARG A 40 8.371 3.402 -1.298 1.00 0.00 C ATOM 619 NH1 ARG A 40 9.484 2.846 -0.837 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.383 4.021 -2.471 1.00 0.00 N ATOM 0 H ARG A 40 4.084 0.990 0.453 1.00 0.00 H new ATOM 0 HA ARG A 40 5.836 -1.290 0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.635 1.364 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.898 0.179 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.012 0.729 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.542 0.926 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.264 3.069 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.009 2.926 1.313 1.00 0.00 H new ATOM 0 HE ARG A 40 6.410 3.779 -0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.480 2.368 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.344 2.896 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.530 4.450 -2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.245 4.068 -3.014 1.00 0.00 H new ATOM 634 N LEU A 41 3.469 -0.695 2.883 1.00 0.00 N ATOM 635 CA LEU A 41 2.744 -1.251 4.015 1.00 0.00 C ATOM 636 C LEU A 41 2.039 -2.533 3.601 1.00 0.00 C ATOM 637 O LEU A 41 1.807 -3.422 4.420 1.00 0.00 O ATOM 638 CB LEU A 41 1.731 -0.242 4.557 1.00 0.00 C ATOM 639 CG LEU A 41 2.290 0.755 5.573 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.465 2.032 5.575 1.00 0.00 C ATOM 641 CD2 LEU A 41 2.321 0.136 6.963 1.00 0.00 C ATOM 0 H LEU A 41 3.012 0.101 2.438 1.00 0.00 H new ATOM 0 HA LEU A 41 3.458 -1.477 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.311 0.314 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.910 -0.788 5.021 1.00 0.00 H new ATOM 0 HG LEU A 41 3.311 1.006 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.877 2.730 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.492 2.484 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.434 1.798 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.721 0.858 7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.310 -0.143 7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.954 -0.751 6.952 1.00 0.00 H new ATOM 653 N LEU A 42 1.717 -2.628 2.316 1.00 0.00 N ATOM 654 CA LEU A 42 1.058 -3.810 1.785 1.00 0.00 C ATOM 655 C LEU A 42 2.006 -4.997 1.833 1.00 0.00 C ATOM 656 O LEU A 42 1.578 -6.142 1.978 1.00 0.00 O ATOM 657 CB LEU A 42 0.576 -3.568 0.353 1.00 0.00 C ATOM 658 CG LEU A 42 -0.814 -4.126 0.039 1.00 0.00 C ATOM 659 CD1 LEU A 42 -1.444 -3.372 -1.122 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.733 -5.614 -0.270 1.00 0.00 C ATOM 0 H LEU A 42 1.902 -1.901 1.625 1.00 0.00 H new ATOM 0 HA LEU A 42 0.186 -4.028 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.572 -2.495 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.294 -4.012 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.445 -3.991 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.432 -3.784 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.537 -2.317 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.815 -3.474 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.730 -5.995 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.085 -5.772 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.326 -6.143 0.592 1.00 0.00 H new ATOM 672 N ILE A 43 3.300 -4.713 1.736 1.00 0.00 N ATOM 673 CA ILE A 43 4.308 -5.761 1.796 1.00 0.00 C ATOM 674 C ILE A 43 4.212 -6.493 3.129 1.00 0.00 C ATOM 675 O ILE A 43 4.499 -7.687 3.221 1.00 0.00 O ATOM 676 CB ILE A 43 5.733 -5.198 1.627 1.00 0.00 C ATOM 677 CG1 ILE A 43 5.804 -4.281 0.404 1.00 0.00 C ATOM 678 CG2 ILE A 43 6.738 -6.334 1.503 1.00 0.00 C ATOM 679 CD1 ILE A 43 5.331 -4.939 -0.875 1.00 0.00 C ATOM 0 H ILE A 43 3.673 -3.771 1.616 1.00 0.00 H new ATOM 0 HA ILE A 43 4.116 -6.449 0.973 1.00 0.00 H new ATOM 0 HB ILE A 43 5.982 -4.611 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.200 -3.393 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.832 -3.945 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.740 -5.922 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.703 -6.950 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.492 -6.945 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.410 -4.230 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.950 -5.811 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.292 -5.250 -0.762 1.00 0.00 H new ATOM 691 N ASN A 44 3.786 -5.763 4.158 1.00 0.00 N ATOM 692 CA ASN A 44 3.624 -6.330 5.489 1.00 0.00 C ATOM 693 C ASN A 44 2.178 -6.755 5.703 1.00 0.00 C ATOM 694 O ASN A 44 1.898 -7.764 6.351 1.00 0.00 O ATOM 695 CB ASN A 44 4.037 -5.311 6.553 1.00 0.00 C ATOM 696 CG ASN A 44 5.533 -5.072 6.572 1.00 0.00 C ATOM 697 OD1 ASN A 44 6.155 -4.868 5.529 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.121 -5.094 7.762 1.00 0.00 N ATOM 0 H ASN A 44 3.547 -4.774 4.092 1.00 0.00 H new ATOM 0 HA ASN A 44 4.266 -7.206 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.523 -4.368 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.715 -5.662 7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.126 -4.938 7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.568 -5.267 8.601 1.00 0.00 H new ATOM 705 N LYS A 45 1.267 -5.975 5.139 1.00 0.00 N ATOM 706 CA LYS A 45 -0.161 -6.249 5.238 1.00 0.00 C ATOM 707 C LYS A 45 -0.604 -6.374 6.691 1.00 0.00 C ATOM 708 O LYS A 45 -0.579 -7.460 7.270 1.00 0.00 O ATOM 709 CB LYS A 45 -0.508 -7.526 4.472 1.00 0.00 C ATOM 710 CG LYS A 45 -1.998 -7.833 4.441 1.00 0.00 C ATOM 711 CD LYS A 45 -2.572 -7.700 3.036 1.00 0.00 C ATOM 712 CE LYS A 45 -3.655 -6.635 2.971 1.00 0.00 C ATOM 713 NZ LYS A 45 -3.085 -5.260 2.995 1.00 0.00 N ATOM 0 H LYS A 45 1.494 -5.138 4.602 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.694 -5.408 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.143 -7.436 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.018 -8.366 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.169 -8.844 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.523 -7.155 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.773 -7.450 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.984 -8.658 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.241 -6.769 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.337 -6.760 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.811 -4.578 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.770 -5.032 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.275 -5.209 2.345 1.00 0.00 H new ATOM 727 N GLY A 46 -1.015 -5.252 7.272 1.00 0.00 N ATOM 728 CA GLY A 46 -1.466 -5.250 8.651 1.00 0.00 C ATOM 729 C GLY A 46 -0.360 -5.594 9.628 1.00 0.00 C ATOM 730 O GLY A 46 -0.370 -6.664 10.237 1.00 0.00 O ATOM 0 H GLY A 46 -1.044 -4.342 6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.869 -4.267 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.280 -5.966 8.764 1.00 0.00 H new ATOM 734 N GLN A 47 0.594 -4.682 9.780 1.00 0.00 N ATOM 735 CA GLN A 47 1.711 -4.889 10.692 1.00 0.00 C ATOM 736 C GLN A 47 2.013 -3.612 11.469 1.00 0.00 C ATOM 737 O GLN A 47 1.945 -2.512 10.922 1.00 0.00 O ATOM 738 CB GLN A 47 2.952 -5.339 9.919 1.00 0.00 C ATOM 739 CG GLN A 47 3.999 -6.016 10.788 1.00 0.00 C ATOM 740 CD GLN A 47 5.214 -5.140 11.026 1.00 0.00 C ATOM 741 OE1 GLN A 47 5.091 -3.988 11.443 1.00 0.00 O ATOM 742 NE2 GLN A 47 6.396 -5.683 10.760 1.00 0.00 N ATOM 0 H GLN A 47 0.615 -3.792 9.283 1.00 0.00 H new ATOM 0 HA GLN A 47 1.435 -5.670 11.401 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.648 -6.026 9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.401 -4.473 9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.554 -6.282 11.747 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.313 -6.946 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.451 -6.642 10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.249 -5.142 10.900 1.00 0.00 H new ATOM 751 N LEU A 48 2.343 -3.763 12.747 1.00 0.00 N ATOM 752 CA LEU A 48 2.649 -2.617 13.595 1.00 0.00 C ATOM 753 C LEU A 48 3.974 -1.977 13.190 1.00 0.00 C ATOM 754 O LEU A 48 5.032 -2.333 13.707 1.00 0.00 O ATOM 755 CB LEU A 48 2.695 -3.036 15.066 1.00 0.00 C ATOM 756 CG LEU A 48 1.928 -2.118 16.022 1.00 0.00 C ATOM 757 CD1 LEU A 48 0.616 -2.762 16.445 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.775 -1.780 17.241 1.00 0.00 C ATOM 0 H LEU A 48 2.405 -4.666 13.218 1.00 0.00 H new ATOM 0 HA LEU A 48 1.857 -1.880 13.463 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.293 -4.045 15.154 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.737 -3.079 15.384 1.00 0.00 H new ATOM 0 HG LEU A 48 1.702 -1.191 15.496 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.085 -2.095 17.124 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.001 -2.947 15.564 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.820 -3.706 16.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.210 -1.127 17.907 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.036 -2.697 17.768 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.686 -1.273 16.922 1.00 0.00 H new ATOM 770 N CYS A 49 3.903 -1.030 12.261 1.00 0.00 N ATOM 771 CA CYS A 49 5.091 -0.333 11.782 1.00 0.00 C ATOM 772 C CYS A 49 5.267 0.998 12.507 1.00 0.00 C ATOM 773 O CYS A 49 4.381 1.439 13.238 1.00 0.00 O ATOM 774 CB CYS A 49 4.997 -0.098 10.273 1.00 0.00 C ATOM 775 SG CYS A 49 4.546 -1.569 9.323 1.00 0.00 S ATOM 0 H CYS A 49 3.033 -0.727 11.824 1.00 0.00 H new ATOM 0 HA CYS A 49 5.959 -0.958 11.990 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.261 0.684 10.083 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.957 0.273 9.914 1.00 0.00 H new ATOM 0 HG CYS A 49 4.698 -2.627 10.063 1.00 0.00 H new ATOM 781 N LEU A 50 6.418 1.632 12.302 1.00 0.00 N ATOM 782 CA LEU A 50 6.708 2.913 12.938 1.00 0.00 C ATOM 783 C LEU A 50 6.639 4.051 11.924 1.00 0.00 C ATOM 784 O LEU A 50 7.278 3.998 10.873 1.00 0.00 O ATOM 785 CB LEU A 50 8.090 2.880 13.594 1.00 0.00 C ATOM 786 CG LEU A 50 8.143 2.179 14.952 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.210 2.863 15.941 1.00 0.00 C ATOM 788 CD2 LEU A 50 7.784 0.709 14.804 1.00 0.00 C ATOM 0 H LEU A 50 7.164 1.280 11.702 1.00 0.00 H new ATOM 0 HA LEU A 50 5.954 3.089 13.706 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.785 2.383 12.918 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.442 3.904 13.716 1.00 0.00 H new ATOM 0 HG LEU A 50 9.160 2.247 15.338 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.260 2.351 16.902 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.512 3.903 16.067 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.188 2.826 15.563 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.826 0.224 15.779 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.776 0.620 14.398 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.491 0.228 14.129 1.00 0.00 H new ATOM 800 N ARG A 51 5.859 5.078 12.245 1.00 0.00 N ATOM 801 CA ARG A 51 5.705 6.227 11.359 1.00 0.00 C ATOM 802 C ARG A 51 7.041 6.912 11.108 1.00 0.00 C ATOM 803 O ARG A 51 7.269 7.481 10.040 1.00 0.00 O ATOM 804 CB ARG A 51 4.711 7.226 11.952 1.00 0.00 C ATOM 805 CG ARG A 51 5.157 7.811 13.283 1.00 0.00 C ATOM 806 CD ARG A 51 4.026 8.558 13.973 1.00 0.00 C ATOM 807 NE ARG A 51 3.914 8.197 15.385 1.00 0.00 N ATOM 808 CZ ARG A 51 3.558 6.989 15.815 1.00 0.00 C ATOM 809 NH1 ARG A 51 3.274 6.025 14.948 1.00 0.00 N ATOM 810 NH2 ARG A 51 3.486 6.744 17.115 1.00 0.00 N ATOM 0 H ARG A 51 5.324 5.138 13.111 1.00 0.00 H new ATOM 0 HA ARG A 51 5.322 5.864 10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.557 8.038 11.241 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.748 6.732 12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.514 7.011 13.931 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.996 8.488 13.121 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.194 9.631 13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.085 8.340 13.467 1.00 0.00 H new ATOM 0 HE ARG A 51 4.121 8.913 16.081 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.328 6.208 13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.002 5.101 15.284 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.703 7.481 17.786 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.213 5.818 17.445 1.00 0.00 H new ATOM 824 N LYS A 52 7.921 6.850 12.095 1.00 0.00 N ATOM 825 CA LYS A 52 9.239 7.463 11.980 1.00 0.00 C ATOM 826 C LYS A 52 10.208 6.533 11.271 1.00 0.00 C ATOM 827 O LYS A 52 11.195 6.976 10.695 1.00 0.00 O ATOM 828 CB LYS A 52 9.777 7.847 13.360 1.00 0.00 C ATOM 829 CG LYS A 52 11.111 8.572 13.318 1.00 0.00 C ATOM 830 CD LYS A 52 11.257 9.537 14.484 1.00 0.00 C ATOM 831 CE LYS A 52 12.569 10.301 14.416 1.00 0.00 C ATOM 832 NZ LYS A 52 13.303 10.259 15.711 1.00 0.00 N ATOM 0 H LYS A 52 7.749 6.382 12.985 1.00 0.00 H new ATOM 0 HA LYS A 52 9.140 8.370 11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.045 8.481 13.861 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.883 6.945 13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.923 7.845 13.342 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.200 9.118 12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.425 10.241 14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.205 8.985 15.423 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.195 9.879 13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.372 11.338 14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.192 10.791 15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.716 10.685 16.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.514 9.271 15.959 1.00 0.00 H new ATOM 846 N HIS A 53 9.909 5.247 11.290 1.00 0.00 N ATOM 847 CA HIS A 53 10.742 4.270 10.611 1.00 0.00 C ATOM 848 C HIS A 53 10.241 4.083 9.188 1.00 0.00 C ATOM 849 O HIS A 53 10.976 3.633 8.310 1.00 0.00 O ATOM 850 CB HIS A 53 10.732 2.941 11.360 1.00 0.00 C ATOM 851 CG HIS A 53 11.925 2.083 11.077 1.00 0.00 C ATOM 852 ND1 HIS A 53 12.892 1.805 12.020 1.00 0.00 N ATOM 853 CD2 HIS A 53 12.306 1.438 9.949 1.00 0.00 C ATOM 854 CE1 HIS A 53 13.817 1.028 11.484 1.00 0.00 C ATOM 855 NE2 HIS A 53 13.484 0.790 10.229 1.00 0.00 N ATOM 0 H HIS A 53 9.097 4.855 11.767 1.00 0.00 H new ATOM 0 HA HIS A 53 11.769 4.633 10.586 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.683 3.138 12.431 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.829 2.391 11.095 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.781 1.434 9.005 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.696 0.652 11.987 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.016 0.217 9.573 1.00 0.00 H new ATOM 864 N LEU A 54 8.982 4.451 8.969 1.00 0.00 N ATOM 865 CA LEU A 54 8.377 4.347 7.657 1.00 0.00 C ATOM 866 C LEU A 54 8.909 5.439 6.743 1.00 0.00 C ATOM 867 O LEU A 54 8.917 5.286 5.523 1.00 0.00 O ATOM 868 CB LEU A 54 6.852 4.438 7.760 1.00 0.00 C ATOM 869 CG LEU A 54 6.089 3.277 7.114 1.00 0.00 C ATOM 870 CD1 LEU A 54 5.325 2.487 8.165 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.141 3.790 6.039 1.00 0.00 C ATOM 0 H LEU A 54 8.364 4.824 9.690 1.00 0.00 H new ATOM 0 HA LEU A 54 8.638 3.377 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.577 4.493 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.527 5.369 7.297 1.00 0.00 H new ATOM 0 HG LEU A 54 6.814 2.612 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.790 1.667 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.025 2.085 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.612 3.142 8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.609 2.950 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.423 4.479 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.711 4.309 5.269 1.00 0.00 H new ATOM 883 N LEU A 55 9.360 6.543 7.334 1.00 0.00 N ATOM 884 CA LEU A 55 9.892 7.641 6.539 1.00 0.00 C ATOM 885 C LEU A 55 11.296 7.323 6.025 1.00 0.00 C ATOM 886 O LEU A 55 11.821 8.027 5.163 1.00 0.00 O ATOM 887 CB LEU A 55 9.847 8.970 7.326 1.00 0.00 C ATOM 888 CG LEU A 55 10.974 9.278 8.343 1.00 0.00 C ATOM 889 CD1 LEU A 55 10.376 9.647 9.691 1.00 0.00 C ATOM 890 CD2 LEU A 55 11.955 8.129 8.517 1.00 0.00 C ATOM 0 H LEU A 55 9.367 6.698 8.342 1.00 0.00 H new ATOM 0 HA LEU A 55 9.254 7.765 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.828 9.782 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.900 9.002 7.864 1.00 0.00 H new ATOM 0 HG LEU A 55 11.536 10.119 7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.177 9.861 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.745 10.528 9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.777 8.816 10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.719 8.409 9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.423 7.247 8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.427 7.906 7.560 1.00 0.00 H new ATOM 902 N GLU A 56 11.902 6.256 6.554 1.00 0.00 N ATOM 903 CA GLU A 56 13.239 5.859 6.134 1.00 0.00 C ATOM 904 C GLU A 56 13.179 4.910 4.942 1.00 0.00 C ATOM 905 O GLU A 56 14.156 4.761 4.208 1.00 0.00 O ATOM 906 CB GLU A 56 13.990 5.201 7.295 1.00 0.00 C ATOM 907 CG GLU A 56 14.934 6.145 8.021 1.00 0.00 C ATOM 908 CD GLU A 56 15.302 5.650 9.406 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.805 4.512 9.515 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.088 6.400 10.381 1.00 0.00 O ATOM 0 H GLU A 56 11.487 5.658 7.269 1.00 0.00 H new ATOM 0 HA GLU A 56 13.777 6.757 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.266 4.805 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.559 4.353 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.842 6.270 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.469 7.127 8.102 1.00 0.00 H new ATOM 917 N GLU A 57 12.028 4.275 4.749 1.00 0.00 N ATOM 918 CA GLU A 57 11.853 3.349 3.638 1.00 0.00 C ATOM 919 C GLU A 57 11.409 4.092 2.390 1.00 0.00 C ATOM 920 O GLU A 57 11.826 3.767 1.278 1.00 0.00 O ATOM 921 CB GLU A 57 10.843 2.256 3.994 1.00 0.00 C ATOM 922 CG GLU A 57 9.560 2.789 4.611 1.00 0.00 C ATOM 923 CD GLU A 57 8.480 1.730 4.715 1.00 0.00 C ATOM 924 OE1 GLU A 57 8.754 0.657 5.293 1.00 0.00 O ATOM 925 OE2 GLU A 57 7.359 1.975 4.220 1.00 0.00 O ATOM 0 H GLU A 57 11.207 4.384 5.344 1.00 0.00 H new ATOM 0 HA GLU A 57 12.814 2.875 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.597 1.694 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.307 1.557 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.775 3.182 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.191 3.621 4.012 1.00 0.00 H new ATOM 932 N ILE A 58 10.584 5.106 2.584 1.00 0.00 N ATOM 933 CA ILE A 58 10.109 5.915 1.472 1.00 0.00 C ATOM 934 C ILE A 58 11.161 6.951 1.091 1.00 0.00 C ATOM 935 O ILE A 58 11.141 7.496 -0.012 1.00 0.00 O ATOM 936 CB ILE A 58 8.781 6.631 1.792 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.814 5.681 2.503 1.00 0.00 C ATOM 938 CG2 ILE A 58 8.153 7.166 0.512 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.456 6.291 2.781 1.00 0.00 C ATOM 0 H ILE A 58 10.229 5.389 3.497 1.00 0.00 H new ATOM 0 HA ILE A 58 9.930 5.236 0.638 1.00 0.00 H new ATOM 0 HB ILE A 58 8.990 7.468 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.683 4.787 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.259 5.362 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.216 7.670 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.835 7.873 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.958 6.339 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.825 5.560 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.575 7.169 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.990 6.584 1.841 1.00 0.00 H new ATOM 951 N LYS A 59 12.089 7.209 2.013 1.00 0.00 N ATOM 952 CA LYS A 59 13.158 8.167 1.774 1.00 0.00 C ATOM 953 C LYS A 59 14.314 7.502 1.037 1.00 0.00 C ATOM 954 O LYS A 59 14.940 8.110 0.169 1.00 0.00 O ATOM 955 CB LYS A 59 13.650 8.761 3.096 1.00 0.00 C ATOM 956 CG LYS A 59 14.767 9.779 2.928 1.00 0.00 C ATOM 957 CD LYS A 59 15.571 9.944 4.209 1.00 0.00 C ATOM 958 CE LYS A 59 16.942 9.296 4.097 1.00 0.00 C ATOM 959 NZ LYS A 59 18.009 10.298 3.820 1.00 0.00 N ATOM 0 H LYS A 59 12.118 6.766 2.931 1.00 0.00 H new ATOM 0 HA LYS A 59 12.764 8.972 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.811 9.235 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.999 7.954 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.428 9.465 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.343 10.740 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.686 11.005 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.025 9.500 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.171 8.768 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.928 8.551 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.928 9.816 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.805 10.784 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.040 10.994 4.592 1.00 0.00 H new ATOM 973 N ASN A 60 14.588 6.246 1.381 1.00 0.00 N ATOM 974 CA ASN A 60 15.663 5.504 0.740 1.00 0.00 C ATOM 975 C ASN A 60 15.338 5.266 -0.730 1.00 0.00 C ATOM 976 O ASN A 60 16.229 5.228 -1.578 1.00 0.00 O ATOM 977 CB ASN A 60 15.888 4.167 1.450 1.00 0.00 C ATOM 978 CG ASN A 60 16.915 4.269 2.560 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.663 3.863 3.694 1.00 0.00 O ATOM 980 ND2 ASN A 60 18.083 4.813 2.238 1.00 0.00 N ATOM 0 H ASN A 60 14.081 5.725 2.097 1.00 0.00 H new ATOM 0 HA ASN A 60 16.577 6.094 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.943 3.815 1.864 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.215 3.423 0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.814 4.907 2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.250 5.136 1.285 1.00 0.00 H new ATOM 987 N HIS A 61 14.051 5.108 -1.020 1.00 0.00 N ATOM 988 CA HIS A 61 13.592 4.875 -2.378 1.00 0.00 C ATOM 989 C HIS A 61 13.312 6.194 -3.093 1.00 0.00 C ATOM 990 O HIS A 61 13.640 6.356 -4.269 1.00 0.00 O ATOM 991 CB HIS A 61 12.334 4.005 -2.366 1.00 0.00 C ATOM 992 CG HIS A 61 12.090 3.285 -3.655 1.00 0.00 C ATOM 993 ND1 HIS A 61 11.636 1.984 -3.715 1.00 0.00 N ATOM 994 CD2 HIS A 61 12.239 3.688 -4.939 1.00 0.00 C ATOM 995 CE1 HIS A 61 11.518 1.618 -4.978 1.00 0.00 C ATOM 996 NE2 HIS A 61 11.876 2.634 -5.741 1.00 0.00 N ATOM 0 H HIS A 61 13.305 5.138 -0.325 1.00 0.00 H new ATOM 0 HA HIS A 61 14.381 4.354 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.416 3.274 -1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.471 4.632 -2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.580 4.658 -5.271 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.185 0.652 -5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.882 2.636 -6.761 1.00 0.00 H new ATOM 1005 N ALA A 62 12.703 7.134 -2.376 1.00 0.00 N ATOM 1006 CA ALA A 62 12.379 8.439 -2.942 1.00 0.00 C ATOM 1007 C ALA A 62 11.890 9.401 -1.863 1.00 0.00 C ATOM 1008 O ALA A 62 10.712 9.402 -1.506 1.00 0.00 O ATOM 1009 CB ALA A 62 11.332 8.294 -4.036 1.00 0.00 C ATOM 0 H ALA A 62 12.424 7.016 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 62 13.288 8.854 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.100 9.275 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.718 7.649 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.427 7.853 -3.618 1.00 0.00 H new ATOM 1015 N LYS A 63 12.804 10.219 -1.347 1.00 0.00 N ATOM 1016 CA LYS A 63 12.471 11.188 -0.306 1.00 0.00 C ATOM 1017 C LYS A 63 11.325 12.096 -0.739 1.00 0.00 C ATOM 1018 O LYS A 63 11.546 13.160 -1.318 1.00 0.00 O ATOM 1019 CB LYS A 63 13.699 12.031 0.044 1.00 0.00 C ATOM 1020 CG LYS A 63 14.430 12.575 -1.173 1.00 0.00 C ATOM 1021 CD LYS A 63 14.901 14.003 -0.949 1.00 0.00 C ATOM 1022 CE LYS A 63 14.699 14.857 -2.191 1.00 0.00 C ATOM 1023 NZ LYS A 63 15.362 14.268 -3.386 1.00 0.00 N ATOM 0 H LYS A 63 13.783 10.230 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 63 12.151 10.633 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.390 12.865 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.389 11.426 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.287 11.940 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.771 12.540 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.356 14.440 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.956 14.001 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.632 14.967 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.095 15.857 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.377 14.968 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.337 13.998 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.836 13.426 -3.695 1.00 0.00 H new ATOM 1092 N ARG A 68 5.764 17.485 0.147 1.00 0.00 N ATOM 1093 CA ARG A 68 6.256 18.306 1.250 1.00 0.00 C ATOM 1094 C ARG A 68 6.659 17.446 2.440 1.00 0.00 C ATOM 1095 O ARG A 68 7.619 17.753 3.148 1.00 0.00 O ATOM 1096 CB ARG A 68 5.190 19.320 1.675 1.00 0.00 C ATOM 1097 CG ARG A 68 5.758 20.680 2.045 1.00 0.00 C ATOM 1098 CD ARG A 68 4.765 21.497 2.857 1.00 0.00 C ATOM 1099 NE ARG A 68 3.451 21.555 2.220 1.00 0.00 N ATOM 1100 CZ ARG A 68 2.532 22.477 2.499 1.00 0.00 C ATOM 1101 NH1 ARG A 68 2.777 23.417 3.403 1.00 0.00 N ATOM 1102 NH2 ARG A 68 1.363 22.458 1.873 1.00 0.00 N ATOM 0 HA ARG A 68 7.139 18.841 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.474 19.443 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.640 18.921 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.676 20.548 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.023 21.224 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.666 21.063 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.149 22.509 2.988 1.00 0.00 H new ATOM 0 HE ARG A 68 3.225 20.848 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.674 23.436 3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.069 24.120 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.168 21.737 1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.659 23.164 2.086 1.00 0.00 H new ATOM 1116 N ASN A 69 5.918 16.370 2.653 1.00 0.00 N ATOM 1117 CA ASN A 69 6.188 15.456 3.758 1.00 0.00 C ATOM 1118 C ASN A 69 5.544 14.097 3.507 1.00 0.00 C ATOM 1119 O ASN A 69 4.615 13.979 2.709 1.00 0.00 O ATOM 1120 CB ASN A 69 5.667 16.046 5.070 1.00 0.00 C ATOM 1121 CG ASN A 69 6.262 15.368 6.288 1.00 0.00 C ATOM 1122 OD1 ASN A 69 5.447 15.188 7.321 1.00 0.00 O flip ATOM 1123 ND2 ASN A 69 7.439 15.009 6.300 1.00 0.00 N flip ATOM 0 H ASN A 69 5.121 16.105 2.074 1.00 0.00 H new ATOM 0 HA ASN A 69 7.267 15.319 3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.897 17.111 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.581 15.953 5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.029 15.168 5.483 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.825 14.553 7.127 1.00 0.00 H new ATOM 1130 N VAL A 70 6.041 13.071 4.192 1.00 0.00 N ATOM 1131 CA VAL A 70 5.505 11.724 4.036 1.00 0.00 C ATOM 1132 C VAL A 70 4.373 11.460 5.021 1.00 0.00 C ATOM 1133 O VAL A 70 3.508 10.621 4.774 1.00 0.00 O ATOM 1134 CB VAL A 70 6.597 10.646 4.215 1.00 0.00 C ATOM 1135 CG1 VAL A 70 7.070 10.584 5.660 1.00 0.00 C ATOM 1136 CG2 VAL A 70 6.083 9.289 3.761 1.00 0.00 C ATOM 0 H VAL A 70 6.810 13.147 4.857 1.00 0.00 H new ATOM 0 HA VAL A 70 5.117 11.662 3.019 1.00 0.00 H new ATOM 0 HB VAL A 70 7.450 10.919 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.838 9.817 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.482 11.551 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.228 10.340 6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.865 8.541 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.212 9.013 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.804 9.339 2.709 1.00 0.00 H new ATOM 1146 N ASP A 71 4.385 12.181 6.135 1.00 0.00 N ATOM 1147 CA ASP A 71 3.357 12.025 7.157 1.00 0.00 C ATOM 1148 C ASP A 71 2.060 12.682 6.718 1.00 0.00 C ATOM 1149 O ASP A 71 0.980 12.106 6.851 1.00 0.00 O ATOM 1150 CB ASP A 71 3.830 12.615 8.488 1.00 0.00 C ATOM 1151 CG ASP A 71 3.897 11.577 9.591 1.00 0.00 C ATOM 1152 OD1 ASP A 71 4.262 10.420 9.295 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.584 11.921 10.750 1.00 0.00 O ATOM 0 H ASP A 71 5.095 12.880 6.354 1.00 0.00 H new ATOM 0 HA ASP A 71 3.173 10.960 7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.815 13.062 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.154 13.416 8.788 1.00 0.00 H new ATOM 1158 N VAL A 72 2.178 13.882 6.182 1.00 0.00 N ATOM 1159 CA VAL A 72 1.018 14.617 5.702 1.00 0.00 C ATOM 1160 C VAL A 72 0.429 13.932 4.481 1.00 0.00 C ATOM 1161 O VAL A 72 -0.768 14.031 4.214 1.00 0.00 O ATOM 1162 CB VAL A 72 1.368 16.076 5.353 1.00 0.00 C ATOM 1163 CG1 VAL A 72 0.110 16.863 5.016 1.00 0.00 C ATOM 1164 CG2 VAL A 72 2.128 16.731 6.498 1.00 0.00 C ATOM 0 H VAL A 72 3.066 14.371 6.067 1.00 0.00 H new ATOM 0 HA VAL A 72 0.285 14.627 6.508 1.00 0.00 H new ATOM 0 HB VAL A 72 2.012 16.076 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.378 17.891 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.387 16.405 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.563 16.857 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.367 17.761 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.512 16.721 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.050 16.181 6.684 1.00 0.00 H new ATOM 1174 N HIS A 73 1.278 13.216 3.755 1.00 0.00 N ATOM 1175 CA HIS A 73 0.841 12.489 2.576 1.00 0.00 C ATOM 1176 C HIS A 73 -0.030 11.308 2.988 1.00 0.00 C ATOM 1177 O HIS A 73 -0.856 10.830 2.210 1.00 0.00 O ATOM 1178 CB HIS A 73 2.046 12.004 1.766 1.00 0.00 C ATOM 1179 CG HIS A 73 2.166 12.658 0.424 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.650 13.906 0.145 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.750 12.230 -0.721 1.00 0.00 C ATOM 1182 CE1 HIS A 73 1.910 14.217 -1.113 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.577 13.218 -1.660 1.00 0.00 N ATOM 0 H HIS A 73 2.272 13.125 3.964 1.00 0.00 H new ATOM 0 HA HIS A 73 0.255 13.160 1.948 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.956 12.192 2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.972 10.925 1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.257 11.288 -0.868 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.625 15.133 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.910 13.185 -2.624 1.00 0.00 H new ATOM 1192 N ILE A 74 0.156 10.850 4.224 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.619 9.733 4.745 1.00 0.00 C ATOM 1194 C ILE A 74 -2.091 10.095 4.825 1.00 0.00 C ATOM 1195 O ILE A 74 -2.964 9.284 4.517 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.140 9.297 6.143 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.387 9.203 6.183 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.772 7.965 6.520 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.931 8.694 7.500 1.00 0.00 C ATOM 0 H ILE A 74 0.835 11.236 4.880 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.474 8.903 4.053 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.452 10.047 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.723 8.544 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.808 10.188 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.427 7.666 7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.857 8.067 6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.485 7.207 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.019 8.654 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.626 9.365 8.303 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.540 7.695 7.694 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.358 11.323 5.237 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.726 11.803 5.352 1.00 0.00 C ATOM 1213 C ALA A 75 -4.336 12.000 3.976 1.00 0.00 C ATOM 1214 O ALA A 75 -5.538 11.819 3.782 1.00 0.00 O ATOM 1215 CB ALA A 75 -3.775 13.094 6.155 1.00 0.00 C ATOM 0 H ALA A 75 -1.646 12.006 5.497 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.312 11.052 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.807 13.437 6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.378 12.916 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.175 13.855 5.657 1.00 0.00 H new ATOM 1221 N SER A 76 -3.493 12.352 3.019 1.00 0.00 N ATOM 1222 CA SER A 76 -3.938 12.552 1.649 1.00 0.00 C ATOM 1223 C SER A 76 -4.302 11.214 1.019 1.00 0.00 C ATOM 1224 O SER A 76 -5.099 11.152 0.083 1.00 0.00 O ATOM 1225 CB SER A 76 -2.850 13.247 0.828 1.00 0.00 C ATOM 1226 OG SER A 76 -3.393 13.843 -0.338 1.00 0.00 O ATOM 0 H SER A 76 -2.495 12.505 3.166 1.00 0.00 H new ATOM 0 HA SER A 76 -4.822 13.190 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.362 14.009 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.084 12.524 0.548 1.00 0.00 H new ATOM 0 HG SER A 76 -3.412 13.185 -1.064 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.720 10.143 1.550 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.989 8.802 1.053 1.00 0.00 C ATOM 1234 C LEU A 77 -5.436 8.426 1.301 1.00 0.00 C ATOM 1235 O LEU A 77 -6.092 7.823 0.452 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.070 7.785 1.728 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.883 7.327 0.881 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -0.581 7.849 1.467 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.860 5.810 0.776 1.00 0.00 C ATOM 0 H LEU A 77 -3.058 10.180 2.325 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.798 8.793 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.691 8.218 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.660 6.911 2.003 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.993 7.736 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.255 7.514 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.602 8.939 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.460 7.469 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.009 5.500 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.772 5.378 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.783 5.463 0.310 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.929 8.792 2.474 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.304 8.499 2.844 1.00 0.00 C ATOM 1253 C ARG A 78 -8.263 9.053 1.800 1.00 0.00 C ATOM 1254 O ARG A 78 -9.309 8.468 1.522 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.624 9.090 4.218 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.936 8.593 4.805 1.00 0.00 C ATOM 1257 CD ARG A 78 -9.842 9.746 5.207 1.00 0.00 C ATOM 1258 NE ARG A 78 -11.109 9.276 5.762 1.00 0.00 N ATOM 1259 CZ ARG A 78 -12.201 10.031 5.862 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -12.182 11.294 5.455 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -13.314 9.522 6.373 1.00 0.00 N ATOM 0 H ARG A 78 -5.397 9.293 3.186 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.425 7.417 2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.814 8.848 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.660 10.176 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.447 7.965 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.733 7.969 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.332 10.369 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.037 10.374 4.338 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.160 8.312 6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.328 11.691 5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.022 11.868 5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.333 8.552 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.151 10.100 6.450 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.886 10.184 1.226 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.695 10.833 0.202 1.00 0.00 C ATOM 1277 C LYS A 79 -8.307 10.357 -1.192 1.00 0.00 C ATOM 1278 O LYS A 79 -9.134 10.325 -2.103 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.555 12.353 0.297 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.631 13.113 -0.461 1.00 0.00 C ATOM 1281 CD LYS A 79 -9.721 14.557 0.003 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.359 15.445 -1.054 1.00 0.00 C ATOM 1283 NZ LYS A 79 -11.842 15.497 -0.919 1.00 0.00 N ATOM 0 H LYS A 79 -7.021 10.675 1.452 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.736 10.560 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.585 12.647 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.577 12.644 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.414 13.085 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.594 12.623 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.304 14.609 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.723 14.928 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.952 16.453 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.098 15.074 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.237 16.113 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.234 14.539 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.092 15.876 0.017 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.041 9.998 -1.350 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.532 9.532 -2.633 1.00 0.00 C ATOM 1299 C LYS A 80 -7.172 8.211 -3.034 1.00 0.00 C ATOM 1300 O LYS A 80 -7.881 8.129 -4.036 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.008 9.392 -2.583 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.298 10.062 -3.749 1.00 0.00 C ATOM 1303 CD LYS A 80 -4.506 11.569 -3.738 1.00 0.00 C ATOM 1304 CE LYS A 80 -4.364 12.163 -5.130 1.00 0.00 C ATOM 1305 NZ LYS A 80 -3.649 13.469 -5.106 1.00 0.00 N ATOM 0 H LYS A 80 -6.346 10.020 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.793 10.274 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.642 9.821 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.749 8.333 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.232 9.841 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.669 9.649 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.496 11.797 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.781 12.032 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.823 11.465 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.352 12.298 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.573 13.841 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.178 14.143 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.696 13.336 -4.710 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.916 7.183 -2.244 1.00 0.00 N ATOM 1320 CA LEU A 81 -7.462 5.863 -2.508 1.00 0.00 C ATOM 1321 C LEU A 81 -8.731 5.608 -1.690 1.00 0.00 C ATOM 1322 O LEU A 81 -9.353 4.553 -1.816 1.00 0.00 O ATOM 1323 CB LEU A 81 -6.423 4.776 -2.215 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.426 5.065 -1.088 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.722 3.784 -0.672 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.402 6.106 -1.513 1.00 0.00 C ATOM 0 H LEU A 81 -6.331 7.238 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.725 5.825 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.953 3.855 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.859 4.589 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.982 5.462 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.016 4.001 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.459 3.061 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.186 3.370 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.708 6.290 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.851 5.741 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.912 7.034 -1.772 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.115 6.575 -0.860 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.311 6.424 -0.049 1.00 0.00 C ATOM 1340 C GLY A 82 -10.047 5.704 1.260 1.00 0.00 C ATOM 1341 O GLY A 82 -9.081 6.008 1.960 1.00 0.00 O ATOM 0 H GLY A 82 -8.620 7.458 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.729 7.409 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.062 5.874 -0.616 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.911 4.748 1.589 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.775 3.979 2.822 1.00 0.00 C ATOM 1347 C ALA A 83 -9.547 3.069 2.788 1.00 0.00 C ATOM 1348 O ALA A 83 -9.166 2.491 3.806 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.032 3.158 3.068 1.00 0.00 C ATOM 0 H ALA A 83 -11.714 4.487 1.017 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.640 4.685 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.920 2.588 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.890 3.824 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.188 2.473 2.235 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.929 2.947 1.616 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.747 2.114 1.458 1.00 0.00 C ATOM 1357 C TYR A 84 -6.505 2.868 1.915 1.00 0.00 C ATOM 1358 O TYR A 84 -5.567 2.277 2.445 1.00 0.00 O ATOM 1359 CB TYR A 84 -7.593 1.678 -0.001 1.00 0.00 C ATOM 1360 CG TYR A 84 -8.890 1.242 -0.646 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -9.752 0.366 0.002 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -9.252 1.709 -1.903 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -10.937 -0.033 -0.586 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -10.436 1.315 -2.497 1.00 0.00 C ATOM 1365 CZ TYR A 84 -11.275 0.444 -1.835 1.00 0.00 C ATOM 1366 OH TYR A 84 -12.454 0.049 -2.423 1.00 0.00 O ATOM 0 H TYR A 84 -9.230 3.417 0.762 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.865 1.224 2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.172 2.503 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.878 0.857 -0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.492 -0.009 0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.597 2.391 -2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -11.596 -0.716 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.703 1.688 -3.475 1.00 0.00 H new ATOM 0 HH TYR A 84 -12.262 -0.389 -3.279 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.514 4.182 1.716 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.390 5.000 2.129 1.00 0.00 C ATOM 1378 C GLY A 85 -5.390 5.228 3.622 1.00 0.00 C ATOM 1379 O GLY A 85 -4.337 5.398 4.236 1.00 0.00 O ATOM 0 H GLY A 85 -7.279 4.694 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.459 4.516 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.428 5.960 1.613 1.00 0.00 H new ATOM 1383 N SER A 86 -6.582 5.216 4.211 1.00 0.00 N ATOM 1384 CA SER A 86 -6.726 5.405 5.646 1.00 0.00 C ATOM 1385 C SER A 86 -6.145 4.216 6.405 1.00 0.00 C ATOM 1386 O SER A 86 -5.967 4.275 7.622 1.00 0.00 O ATOM 1387 CB SER A 86 -8.200 5.586 6.012 1.00 0.00 C ATOM 1388 OG SER A 86 -8.341 6.376 7.180 1.00 0.00 O ATOM 0 H SER A 86 -7.462 5.077 3.714 1.00 0.00 H new ATOM 0 HA SER A 86 -6.177 6.303 5.929 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.729 6.058 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.661 4.611 6.170 1.00 0.00 H new ATOM 0 HG SER A 86 -9.292 6.479 7.393 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.849 3.133 5.682 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.285 1.935 6.299 1.00 0.00 C ATOM 1396 C ARG A 87 -4.118 2.288 7.217 1.00 0.00 C ATOM 1397 O ARG A 87 -3.895 1.633 8.236 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.830 0.949 5.231 1.00 0.00 C ATOM 1399 CG ARG A 87 -5.587 -0.363 5.277 1.00 0.00 C ATOM 1400 CD ARG A 87 -6.968 -0.237 4.653 1.00 0.00 C ATOM 1401 NE ARG A 87 -7.016 -0.813 3.311 1.00 0.00 N ATOM 1402 CZ ARG A 87 -8.123 -1.289 2.744 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -9.281 -1.251 3.391 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -8.072 -1.802 1.522 1.00 0.00 N ATOM 0 H ARG A 87 -5.990 3.063 4.674 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.066 1.469 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.958 1.402 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.765 0.753 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.018 -1.130 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.684 -0.691 6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.700 -0.736 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.250 0.815 4.607 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.149 -0.853 2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.328 -0.855 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.124 -1.618 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.186 -1.832 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.919 -2.167 1.086 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.381 3.331 6.850 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.240 3.776 7.643 1.00 0.00 C ATOM 1420 C ILE A 88 -2.706 4.379 8.965 1.00 0.00 C ATOM 1421 O ILE A 88 -2.875 5.594 9.077 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.395 4.816 6.880 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.046 4.298 5.481 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.130 5.152 7.659 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.611 5.149 4.364 1.00 0.00 C ATOM 0 H ILE A 88 -3.553 3.883 6.010 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.622 2.900 7.840 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.983 5.728 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.038 4.252 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.420 3.279 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.454 5.887 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.400 5.561 8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.463 4.248 7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.325 4.724 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.698 5.175 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.218 6.162 4.444 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.920 3.524 9.962 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.375 3.976 11.271 1.00 0.00 C ATOM 1439 C VAL A 89 -2.247 4.644 12.049 1.00 0.00 C ATOM 1440 O VAL A 89 -1.069 4.415 11.777 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.942 2.808 12.102 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.524 3.314 13.414 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.991 2.049 11.304 1.00 0.00 C ATOM 0 H VAL A 89 -2.785 2.516 9.887 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.167 4.704 11.096 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.126 2.124 12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.919 2.474 13.985 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.744 3.810 13.991 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.327 4.021 13.207 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.381 1.228 11.905 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.805 2.724 11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.539 1.651 10.395 1.00 0.00 H new ATOM 1453 N THR A 90 -2.620 5.473 13.019 1.00 0.00 N ATOM 1454 CA THR A 90 -1.646 6.180 13.840 1.00 0.00 C ATOM 1455 C THR A 90 -2.112 6.252 15.291 1.00 0.00 C ATOM 1456 O THR A 90 -3.024 7.011 15.621 1.00 0.00 O ATOM 1457 CB THR A 90 -1.422 7.592 13.297 1.00 0.00 C ATOM 1458 OG1 THR A 90 -0.487 8.294 14.096 1.00 0.00 O ATOM 1459 CG2 THR A 90 -2.688 8.419 13.239 1.00 0.00 C ATOM 0 H THR A 90 -3.592 5.671 13.255 1.00 0.00 H new ATOM 0 HA THR A 90 -0.706 5.629 13.803 1.00 0.00 H new ATOM 0 HB THR A 90 -1.050 7.455 12.282 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.356 9.194 13.732 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.458 9.409 12.845 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.413 7.929 12.589 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.106 8.516 14.241 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.482 5.462 16.155 1.00 0.00 N ATOM 1468 CA LEU A 91 -1.838 5.445 17.569 1.00 0.00 C ATOM 1469 C LEU A 91 -0.669 5.912 18.430 1.00 0.00 C ATOM 1470 O LEU A 91 0.369 5.253 18.495 1.00 0.00 O ATOM 1471 CB LEU A 91 -2.275 4.040 17.992 1.00 0.00 C ATOM 1472 CG LEU A 91 -3.789 3.849 18.130 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -4.329 3.007 16.985 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -4.128 3.209 19.469 1.00 0.00 C ATOM 0 H LEU A 91 -0.725 4.827 15.902 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.670 6.133 17.717 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.898 3.323 17.262 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.805 3.801 18.946 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.263 4.830 18.088 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.406 2.883 17.101 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.121 3.505 16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.848 2.029 16.994 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.208 3.082 19.548 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.641 2.236 19.541 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.778 3.850 20.278 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.846 7.052 19.089 1.00 0.00 N ATOM 1487 CA ARG A 92 0.194 7.609 19.946 1.00 0.00 C ATOM 1488 C ARG A 92 0.368 6.765 21.205 1.00 0.00 C ATOM 1489 O ARG A 92 -0.085 7.142 22.286 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.146 9.051 20.324 1.00 0.00 C ATOM 1491 CG ARG A 92 0.409 10.081 19.353 1.00 0.00 C ATOM 1492 CD ARG A 92 -0.502 11.293 19.243 1.00 0.00 C ATOM 1493 NE ARG A 92 -0.623 11.762 17.865 1.00 0.00 N ATOM 1494 CZ ARG A 92 -1.072 12.969 17.529 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -1.445 13.830 18.468 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -1.149 13.315 16.252 1.00 0.00 N ATOM 0 H ARG A 92 -1.700 7.608 19.046 1.00 0.00 H new ATOM 0 HA ARG A 92 1.133 7.600 19.392 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.229 9.159 20.375 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.242 9.258 21.321 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.398 10.397 19.683 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.531 9.626 18.370 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.490 11.040 19.628 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.113 12.097 19.867 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.347 11.127 17.116 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.388 13.568 19.452 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.788 14.754 18.205 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.864 12.656 15.527 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.493 14.240 15.994 1.00 0.00 H new ATOM 1510 N GLY A 93 1.026 5.620 21.055 1.00 0.00 N ATOM 1511 CA GLY A 93 1.250 4.738 22.185 1.00 0.00 C ATOM 1512 C GLY A 93 1.679 3.349 21.757 1.00 0.00 C ATOM 1513 O GLY A 93 2.415 2.670 22.474 1.00 0.00 O ATOM 0 H GLY A 93 1.408 5.287 20.170 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.014 5.168 22.832 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.336 4.668 22.774 1.00 0.00 H new ATOM 1517 N VAL A 94 1.221 2.926 20.583 1.00 0.00 N ATOM 1518 CA VAL A 94 1.564 1.610 20.058 1.00 0.00 C ATOM 1519 C VAL A 94 2.391 1.728 18.782 1.00 0.00 C ATOM 1520 O VAL A 94 3.392 1.031 18.614 1.00 0.00 O ATOM 1521 CB VAL A 94 0.304 0.766 19.773 1.00 0.00 C ATOM 1522 CG1 VAL A 94 -0.567 1.433 18.720 1.00 0.00 C ATOM 1523 CG2 VAL A 94 0.690 -0.639 19.338 1.00 0.00 C ATOM 0 H VAL A 94 0.611 3.476 19.978 1.00 0.00 H new ATOM 0 HA VAL A 94 2.155 1.108 20.824 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.274 0.694 20.695 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.449 0.820 18.536 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.876 2.417 19.073 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.001 1.541 17.795 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.211 -1.220 19.141 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.293 -0.586 18.431 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.266 -1.120 20.129 1.00 0.00 H new ATOM 1533 N GLY A 95 1.970 2.616 17.885 1.00 0.00 N ATOM 1534 CA GLY A 95 2.688 2.805 16.640 1.00 0.00 C ATOM 1535 C GLY A 95 1.766 2.858 15.441 1.00 0.00 C ATOM 1536 O GLY A 95 0.565 3.092 15.582 1.00 0.00 O ATOM 0 H GLY A 95 1.146 3.206 17.999 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.263 3.729 16.693 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.402 1.992 16.509 1.00 0.00 H new ATOM 1540 N TYR A 96 2.329 2.643 14.259 1.00 0.00 N ATOM 1541 CA TYR A 96 1.553 2.670 13.028 1.00 0.00 C ATOM 1542 C TYR A 96 0.982 1.292 12.712 1.00 0.00 C ATOM 1543 O TYR A 96 1.717 0.308 12.630 1.00 0.00 O ATOM 1544 CB TYR A 96 2.425 3.156 11.867 1.00 0.00 C ATOM 1545 CG TYR A 96 2.108 4.562 11.407 1.00 0.00 C ATOM 1546 CD1 TYR A 96 1.613 5.513 12.291 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.308 4.937 10.085 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.327 6.797 11.871 1.00 0.00 C ATOM 1549 CE2 TYR A 96 2.025 6.219 9.657 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.534 7.145 10.553 1.00 0.00 C ATOM 1551 OH TYR A 96 1.250 8.424 10.132 1.00 0.00 O ATOM 0 H TYR A 96 3.322 2.448 14.128 1.00 0.00 H new ATOM 0 HA TYR A 96 0.721 3.361 13.165 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.472 3.110 12.168 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.305 2.474 11.026 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.449 5.243 13.324 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.691 4.214 9.380 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.943 7.525 12.571 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.187 6.495 8.626 1.00 0.00 H new ATOM 0 HH TYR A 96 2.045 8.987 10.237 1.00 0.00 H new ATOM 1561 N LEU A 97 -0.333 1.231 12.534 1.00 0.00 N ATOM 1562 CA LEU A 97 -1.005 -0.025 12.225 1.00 0.00 C ATOM 1563 C LEU A 97 -1.697 0.051 10.867 1.00 0.00 C ATOM 1564 O LEU A 97 -2.332 1.052 10.539 1.00 0.00 O ATOM 1565 CB LEU A 97 -2.026 -0.364 13.313 1.00 0.00 C ATOM 1566 CG LEU A 97 -2.504 -1.817 13.324 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -3.375 -2.101 12.110 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -1.318 -2.769 13.366 1.00 0.00 C ATOM 0 H LEU A 97 -0.955 2.037 12.598 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.252 -0.812 12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.588 -0.134 14.285 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.892 0.286 13.192 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.103 -1.975 14.221 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.706 -3.139 12.134 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.244 -1.443 12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.800 -1.925 11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.677 -3.798 13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.692 -2.610 12.488 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.733 -2.582 14.267 1.00 0.00 H new ATOM 1580 N PHE A 98 -1.570 -1.014 10.083 1.00 0.00 N ATOM 1581 CA PHE A 98 -2.184 -1.068 8.762 1.00 0.00 C ATOM 1582 C PHE A 98 -3.474 -1.883 8.798 1.00 0.00 C ATOM 1583 O PHE A 98 -3.541 -2.986 8.256 1.00 0.00 O ATOM 1584 CB PHE A 98 -1.209 -1.670 7.748 1.00 0.00 C ATOM 1585 CG PHE A 98 -1.522 -1.312 6.324 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -1.244 -0.045 5.837 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -2.089 -2.244 5.470 1.00 0.00 C ATOM 1588 CE1 PHE A 98 -1.526 0.286 4.526 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -2.373 -1.920 4.158 1.00 0.00 C ATOM 1590 CZ PHE A 98 -2.091 -0.654 3.685 1.00 0.00 C ATOM 0 H PHE A 98 -1.047 -1.851 10.340 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.428 -0.050 8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.199 -1.334 7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.216 -2.755 7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.802 0.693 6.490 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.312 -3.236 5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.305 1.277 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.815 -2.656 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.312 -0.399 2.659 1.00 0.00 H new ATOM 1600 N SER A 99 -4.494 -1.332 9.445 1.00 0.00 N ATOM 1601 CA SER A 99 -5.783 -2.006 9.559 1.00 0.00 C ATOM 1602 C SER A 99 -6.408 -2.231 8.187 1.00 0.00 C ATOM 1603 O SER A 99 -7.226 -1.433 7.728 1.00 0.00 O ATOM 1604 CB SER A 99 -6.732 -1.188 10.437 1.00 0.00 C ATOM 1605 OG SER A 99 -8.059 -1.677 10.348 1.00 0.00 O ATOM 0 H SER A 99 -4.454 -0.420 9.899 1.00 0.00 H new ATOM 0 HA SER A 99 -5.615 -2.978 10.022 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.396 -1.225 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.705 -0.142 10.131 1.00 0.00 H new ATOM 0 HG SER A 99 -8.645 -1.138 10.919 1.00 0.00 H new