USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1023 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 103 THR OG1 : rot -45:sc= 1.29 USER MOD Set 1.2: A 116 GLN :FLIP amide:sc= -1.05! C(o=-5.6!,f=0.24!) USER MOD Set 2.1: A 8 GLN : amide:sc= -1.47! C(o=-14!,f=-21!) USER MOD Set 2.2: A 27 GLN : amide:sc= -5.18! C(o=-14!,f=-17!) USER MOD Set 2.3: A 62 HIS : no HE2:sc= -7.72! C(o=-14!,f=-19!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.158 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.219 F(o=-1.5,f=-0.22) USER MOD Single : A 15 THR OG1 : rot 105:sc= -0.564 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 12:sc= 0.965 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.225) USER MOD Single : A 35 SER OG : rot -70:sc= 1.11 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.3!) USER MOD Single : A 53 GLN : amide:sc= -0.69 K(o=-0.69,f=-5.9!) USER MOD Single : A 55 HIS : no HE2:sc= -0.413 K(o=-0.41,f=-8.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.399 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 65 MET CE :methyl -146:sc= 0 (180deg=-0.021) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0182 USER MOD Single : A 76 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.4!) USER MOD Single : A 81 SER OG : rot 117:sc= 0.77 USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= -0.0223 (180deg=-0.356) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 38:sc= 0.397 USER MOD Single : A 100 SER OG : rot 19:sc= 0.478 USER MOD Single : A 105 GLN : amide:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 107 ASN :FLIP amide:sc= -7.73! C(o=-12!,f=-7.7!) USER MOD Single : A 108 THR OG1 : rot -179:sc= -0.448 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-2.7!) USER MOD Single : A 123 THR OG1 : rot 140:sc= 0.623 USER MOD Single : A 125 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 128 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.19) USER MOD Single : A 134 CYS SG : rot 66:sc= -1.21! USER MOD Single : A 150 SER OG : rot -105:sc= 1.15 USER MOD Single : A 152 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-5.2!) USER MOD Single : A 153 THR OG1 : rot -22:sc= 0.555 USER MOD Single : A 154 CYS SG : rot -49:sc= 0.0183! USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -11.135 10.241 -4.653 1.00 1.00 N ATOM 79 CA ASP A 7 -10.081 9.296 -4.987 1.00 1.00 C ATOM 80 C ASP A 7 -9.439 8.738 -3.726 1.00 1.00 C ATOM 81 O ASP A 7 -9.855 9.049 -2.610 1.00 1.00 O ATOM 82 CB ASP A 7 -9.020 9.982 -5.848 1.00 1.00 C ATOM 83 CG ASP A 7 -9.579 10.243 -7.243 1.00 1.00 C ATOM 84 OD1 ASP A 7 -10.612 9.681 -7.563 1.00 1.00 O ATOM 85 OD2 ASP A 7 -8.963 11.003 -7.974 1.00 1.00 O ATOM 0 HA ASP A 7 -10.522 8.471 -5.546 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -8.715 10.921 -5.386 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -8.130 9.355 -5.914 1.00 1.00 H new ATOM 90 N GLN A 8 -8.419 7.916 -3.920 1.00 1.00 N ATOM 91 CA GLN A 8 -7.705 7.313 -2.801 1.00 1.00 C ATOM 92 C GLN A 8 -6.601 8.252 -2.324 1.00 1.00 C ATOM 93 O GLN A 8 -6.386 8.415 -1.127 1.00 1.00 O ATOM 94 CB GLN A 8 -7.091 5.973 -3.242 1.00 1.00 C ATOM 95 CG GLN A 8 -8.133 4.852 -3.177 1.00 1.00 C ATOM 96 CD GLN A 8 -9.096 4.953 -4.352 1.00 1.00 C ATOM 97 OE1 GLN A 8 -8.932 5.810 -5.221 1.00 1.00 O ATOM 98 NE2 GLN A 8 -10.092 4.119 -4.432 1.00 1.00 N ATOM 0 H GLN A 8 -8.066 7.650 -4.839 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.403 7.139 -1.983 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.707 6.060 -4.258 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.244 5.727 -2.601 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -7.635 3.883 -3.189 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -8.686 4.914 -2.239 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -10.224 3.411 -3.710 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -10.741 4.173 -5.217 1.00 1.00 H new ATOM 107 N SER A 9 -5.897 8.850 -3.275 1.00 1.00 N ATOM 108 CA SER A 9 -4.797 9.752 -2.943 1.00 1.00 C ATOM 109 C SER A 9 -5.245 10.805 -1.934 1.00 1.00 C ATOM 110 O SER A 9 -4.580 11.026 -0.921 1.00 1.00 O ATOM 111 CB SER A 9 -4.286 10.440 -4.211 1.00 1.00 C ATOM 112 OG SER A 9 -5.353 11.158 -4.816 1.00 1.00 O ATOM 0 H SER A 9 -6.064 8.730 -4.274 1.00 1.00 H new ATOM 0 HA SER A 9 -3.994 9.164 -2.499 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.468 11.118 -3.967 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.890 9.700 -4.906 1.00 1.00 H new ATOM 0 HG SER A 9 -5.030 11.602 -5.628 1.00 1.00 H new ATOM 118 N VAL A 10 -6.376 11.439 -2.205 1.00 1.00 N ATOM 119 CA VAL A 10 -6.899 12.455 -1.296 1.00 1.00 C ATOM 120 C VAL A 10 -7.292 11.815 0.036 1.00 1.00 C ATOM 121 O VAL A 10 -6.969 12.328 1.107 1.00 1.00 O ATOM 122 CB VAL A 10 -8.114 13.140 -1.923 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.735 14.112 -0.917 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.674 13.912 -3.170 1.00 1.00 C ATOM 0 H VAL A 10 -6.945 11.273 -3.035 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.124 13.200 -1.116 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.851 12.386 -2.199 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.600 14.598 -1.367 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.048 13.565 -0.028 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -7.999 14.866 -0.638 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.538 14.401 -3.619 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -6.936 14.664 -2.891 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -7.234 13.221 -3.889 1.00 1.00 H new ATOM 134 N ALA A 11 -8.007 10.701 -0.055 1.00 1.00 N ATOM 135 CA ALA A 11 -8.473 9.987 1.127 1.00 1.00 C ATOM 136 C ALA A 11 -7.364 9.860 2.163 1.00 1.00 C ATOM 137 O ALA A 11 -7.571 10.146 3.343 1.00 1.00 O ATOM 138 CB ALA A 11 -8.960 8.593 0.724 1.00 1.00 C ATOM 0 H ALA A 11 -8.278 10.271 -0.939 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.293 10.553 1.570 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.308 8.060 1.608 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -9.779 8.686 0.010 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.140 8.040 0.266 1.00 1.00 H new ATOM 144 N ILE A 12 -6.184 9.433 1.724 1.00 1.00 N ATOM 145 CA ILE A 12 -5.068 9.281 2.648 1.00 1.00 C ATOM 146 C ILE A 12 -4.693 10.630 3.260 1.00 1.00 C ATOM 147 O ILE A 12 -4.582 10.767 4.478 1.00 1.00 O ATOM 148 CB ILE A 12 -3.854 8.693 1.921 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.230 7.362 1.247 1.00 1.00 C ATOM 150 CG2 ILE A 12 -2.713 8.464 2.915 1.00 1.00 C ATOM 151 CD1 ILE A 12 -4.837 6.383 2.261 1.00 1.00 C ATOM 0 H ILE A 12 -5.979 9.191 0.755 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.373 8.602 3.444 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.529 9.397 1.155 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -4.942 7.546 0.443 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.344 6.918 0.793 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.853 8.046 2.392 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.433 9.413 3.373 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.039 7.770 3.690 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.094 5.451 1.758 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.113 6.182 3.051 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -5.736 6.820 2.696 1.00 1.00 H new ATOM 163 N GLN A 13 -4.477 11.613 2.394 1.00 1.00 N ATOM 164 CA GLN A 13 -4.084 12.942 2.853 1.00 1.00 C ATOM 165 C GLN A 13 -4.990 13.392 4.005 1.00 1.00 C ATOM 166 O GLN A 13 -4.500 13.885 5.023 1.00 1.00 O ATOM 167 CB GLN A 13 -4.122 13.952 1.675 1.00 1.00 C ATOM 168 CG GLN A 13 -2.697 14.415 1.315 1.00 1.00 C ATOM 169 CD GLN A 13 -2.119 15.266 2.447 1.00 1.00 C ATOM 170 OE1 GLN A 13 -1.066 14.852 3.105 1.00 1.00 O flip ATOM 171 NE2 GLN A 13 -2.649 16.335 2.746 1.00 1.00 N flip ATOM 0 H GLN A 13 -4.566 11.519 1.382 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.060 12.903 3.226 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.591 13.489 0.806 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -4.733 14.813 1.946 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -2.059 13.549 1.138 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -2.716 14.991 0.390 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -3.470 16.658 2.234 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -2.268 16.898 3.506 1.00 1.00 H new ATOM 180 N GLU A 14 -6.303 13.228 3.854 1.00 1.00 N ATOM 181 CA GLU A 14 -7.233 13.632 4.903 1.00 1.00 C ATOM 182 C GLU A 14 -7.075 12.747 6.139 1.00 1.00 C ATOM 183 O GLU A 14 -7.264 13.197 7.269 1.00 1.00 O ATOM 184 CB GLU A 14 -8.668 13.527 4.383 1.00 1.00 C ATOM 185 CG GLU A 14 -8.880 14.563 3.279 1.00 1.00 C ATOM 186 CD GLU A 14 -10.261 14.394 2.655 1.00 1.00 C ATOM 187 OE1 GLU A 14 -10.991 13.525 3.104 1.00 1.00 O ATOM 188 OE2 GLU A 14 -10.568 15.134 1.736 1.00 1.00 O ATOM 0 H GLU A 14 -6.741 12.824 3.026 1.00 1.00 H new ATOM 0 HA GLU A 14 -7.013 14.663 5.182 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -8.856 12.525 3.998 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.375 13.694 5.196 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -8.779 15.568 3.689 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -8.111 14.452 2.514 1.00 1.00 H new ATOM 195 N THR A 15 -6.748 11.478 5.905 1.00 1.00 N ATOM 196 CA THR A 15 -6.581 10.510 6.993 1.00 1.00 C ATOM 197 C THR A 15 -5.112 10.335 7.354 1.00 1.00 C ATOM 198 O THR A 15 -4.745 9.362 8.013 1.00 1.00 O ATOM 199 CB THR A 15 -7.139 9.145 6.581 1.00 1.00 C ATOM 200 OG1 THR A 15 -6.333 8.604 5.547 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.581 9.275 6.083 1.00 1.00 C ATOM 0 H THR A 15 -6.593 11.094 4.973 1.00 1.00 H new ATOM 0 HA THR A 15 -7.123 10.896 7.856 1.00 1.00 H new ATOM 0 HB THR A 15 -7.129 8.487 7.450 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.773 7.886 5.910 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.957 8.293 5.796 1.00 1.00 H new ATOM 0 HG22 THR A 15 -9.205 9.684 6.878 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.609 9.941 5.220 1.00 1.00 H new ATOM 209 N LEU A 16 -4.269 11.269 6.927 1.00 1.00 N ATOM 210 CA LEU A 16 -2.845 11.177 7.226 1.00 1.00 C ATOM 211 C LEU A 16 -2.592 11.535 8.692 1.00 1.00 C ATOM 212 O LEU A 16 -3.439 11.297 9.552 1.00 1.00 O ATOM 213 CB LEU A 16 -2.049 12.116 6.281 1.00 1.00 C ATOM 214 CG LEU A 16 -0.808 11.405 5.713 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.135 12.317 4.686 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.182 11.082 6.838 1.00 1.00 C ATOM 0 H LEU A 16 -4.541 12.086 6.381 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.507 10.154 7.063 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.691 12.444 5.463 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -1.743 13.010 6.824 1.00 1.00 H new ATOM 0 HG LEU A 16 -1.115 10.473 5.239 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.745 11.819 4.279 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.834 12.534 3.879 1.00 1.00 H new ATOM 0 HD13 LEU A 16 0.164 13.248 5.167 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.055 10.579 6.421 1.00 1.00 H new ATOM 0 HD22 LEU A 16 0.494 12.006 7.325 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -0.297 10.431 7.569 1.00 1.00 H new ATOM 228 N VAL A 17 -1.426 12.116 8.959 1.00 1.00 N ATOM 229 CA VAL A 17 -1.053 12.518 10.313 1.00 1.00 C ATOM 230 C VAL A 17 -0.195 13.786 10.263 1.00 1.00 C ATOM 231 O VAL A 17 -0.718 14.897 10.195 1.00 1.00 O ATOM 232 CB VAL A 17 -0.281 11.378 10.999 1.00 1.00 C ATOM 233 CG1 VAL A 17 -0.139 11.676 12.491 1.00 1.00 C ATOM 234 CG2 VAL A 17 -1.033 10.060 10.813 1.00 1.00 C ATOM 0 H VAL A 17 -0.719 12.320 8.252 1.00 1.00 H new ATOM 0 HA VAL A 17 -1.955 12.729 10.887 1.00 1.00 H new ATOM 0 HB VAL A 17 0.709 11.297 10.550 1.00 1.00 H new ATOM 0 HG11 VAL A 17 0.408 10.866 12.973 1.00 1.00 H new ATOM 0 HG12 VAL A 17 0.404 12.611 12.625 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -1.128 11.763 12.940 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -0.483 9.255 11.300 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -2.025 10.142 11.257 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -1.128 9.842 9.749 1.00 1.00 H new ATOM 244 N GLU A 18 1.124 13.609 10.297 1.00 1.00 N ATOM 245 CA GLU A 18 2.050 14.731 10.255 1.00 1.00 C ATOM 246 C GLU A 18 2.114 15.328 8.856 1.00 1.00 C ATOM 247 O GLU A 18 1.305 14.996 7.988 1.00 1.00 O ATOM 248 CB GLU A 18 3.443 14.269 10.684 1.00 1.00 C ATOM 249 CG GLU A 18 3.413 13.902 12.169 1.00 1.00 C ATOM 250 CD GLU A 18 4.761 13.336 12.603 1.00 1.00 C ATOM 251 OE1 GLU A 18 5.646 13.257 11.766 1.00 1.00 O ATOM 252 OE2 GLU A 18 4.888 12.991 13.765 1.00 1.00 O ATOM 0 H GLU A 18 1.573 12.695 10.354 1.00 1.00 H new ATOM 0 HA GLU A 18 1.693 15.498 10.942 1.00 1.00 H new ATOM 0 HB2 GLU A 18 3.753 13.409 10.090 1.00 1.00 H new ATOM 0 HB3 GLU A 18 4.173 15.059 10.507 1.00 1.00 H new ATOM 0 HG2 GLU A 18 3.173 14.784 12.763 1.00 1.00 H new ATOM 0 HG3 GLU A 18 2.627 13.169 12.354 1.00 1.00 H new ATOM 259 N GLY A 19 3.087 16.204 8.640 1.00 1.00 N ATOM 260 CA GLY A 19 3.253 16.835 7.339 1.00 1.00 C ATOM 261 C GLY A 19 3.895 15.868 6.352 1.00 1.00 C ATOM 262 O GLY A 19 5.032 16.070 5.924 1.00 1.00 O ATOM 0 H GLY A 19 3.768 16.491 9.343 1.00 1.00 H new ATOM 0 HA2 GLY A 19 2.284 17.160 6.960 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.872 17.727 7.438 1.00 1.00 H new ATOM 266 N GLU A 20 3.160 14.815 5.987 1.00 1.00 N ATOM 267 CA GLU A 20 3.670 13.826 5.040 1.00 1.00 C ATOM 268 C GLU A 20 3.113 14.072 3.640 1.00 1.00 C ATOM 269 O GLU A 20 2.013 14.594 3.464 1.00 1.00 O ATOM 270 CB GLU A 20 3.339 12.404 5.516 1.00 1.00 C ATOM 271 CG GLU A 20 4.221 12.057 6.721 1.00 1.00 C ATOM 272 CD GLU A 20 3.956 10.625 7.176 1.00 1.00 C ATOM 273 OE1 GLU A 20 3.264 9.916 6.467 1.00 1.00 O ATOM 274 OE2 GLU A 20 4.456 10.257 8.227 1.00 1.00 O ATOM 0 H GLU A 20 2.218 14.628 6.330 1.00 1.00 H new ATOM 0 HA GLU A 20 4.754 13.929 4.992 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.286 12.335 5.789 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.507 11.690 4.710 1.00 1.00 H new ATOM 0 HG2 GLU A 20 5.272 12.173 6.456 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.020 12.749 7.539 1.00 1.00 H new ATOM 281 N TYR A 21 3.919 13.698 2.659 1.00 1.00 N ATOM 282 CA TYR A 21 3.571 13.868 1.250 1.00 1.00 C ATOM 283 C TYR A 21 3.007 12.586 0.677 1.00 1.00 C ATOM 284 O TYR A 21 3.604 11.517 0.807 1.00 1.00 O ATOM 285 CB TYR A 21 4.813 14.277 0.457 1.00 1.00 C ATOM 286 CG TYR A 21 4.429 14.657 -0.955 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.083 15.979 -1.262 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.435 13.685 -1.962 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.743 16.326 -2.577 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.093 14.030 -3.275 1.00 1.00 C ATOM 291 CZ TYR A 21 3.748 15.351 -3.583 1.00 1.00 C ATOM 292 OH TYR A 21 3.416 15.694 -4.878 1.00 1.00 O ATOM 0 H TYR A 21 4.831 13.269 2.812 1.00 1.00 H new ATOM 0 HA TYR A 21 2.812 14.647 1.175 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.305 15.117 0.946 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.529 13.455 0.438 1.00 1.00 H new ATOM 0 HD1 TYR A 21 4.078 16.730 -0.486 1.00 1.00 H new ATOM 0 HD2 TYR A 21 4.704 12.666 -1.726 1.00 1.00 H new ATOM 0 HE1 TYR A 21 3.477 17.345 -2.815 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.095 13.277 -4.050 1.00 1.00 H new ATOM 0 HH TYR A 21 3.471 14.901 -5.451 1.00 1.00 H new ATOM 302 N CYS A 22 1.874 12.707 -0.005 1.00 1.00 N ATOM 303 CA CYS A 22 1.253 11.563 -0.650 1.00 1.00 C ATOM 304 C CYS A 22 1.695 11.562 -2.108 1.00 1.00 C ATOM 305 O CYS A 22 1.759 12.619 -2.736 1.00 1.00 O ATOM 306 CB CYS A 22 -0.272 11.658 -0.546 1.00 1.00 C ATOM 307 SG CYS A 22 -0.887 12.921 -1.688 1.00 1.00 S ATOM 0 H CYS A 22 1.370 13.586 -0.124 1.00 1.00 H new ATOM 0 HA CYS A 22 1.557 10.636 -0.164 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.722 10.693 -0.779 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.561 11.906 0.475 1.00 1.00 H new ATOM 0 HG CYS A 22 0.067 13.276 -2.497 1.00 1.00 H new ATOM 313 N VAL A 23 2.023 10.391 -2.643 1.00 1.00 N ATOM 314 CA VAL A 23 2.486 10.287 -4.034 1.00 1.00 C ATOM 315 C VAL A 23 1.476 9.558 -4.914 1.00 1.00 C ATOM 316 O VAL A 23 1.184 9.987 -6.030 1.00 1.00 O ATOM 317 CB VAL A 23 3.802 9.511 -4.072 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.327 9.455 -5.507 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.836 10.200 -3.181 1.00 1.00 C ATOM 0 H VAL A 23 1.980 9.503 -2.144 1.00 1.00 H new ATOM 0 HA VAL A 23 2.615 11.300 -4.415 1.00 1.00 H new ATOM 0 HB VAL A 23 3.628 8.498 -3.708 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.265 8.901 -5.530 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.596 8.956 -6.143 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.495 10.468 -5.873 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.772 9.642 -3.212 1.00 1.00 H new ATOM 0 HG22 VAL A 23 5.006 11.215 -3.539 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.468 10.234 -2.156 1.00 1.00 H new ATOM 329 N ILE A 24 0.970 8.441 -4.408 1.00 1.00 N ATOM 330 CA ILE A 24 0.014 7.637 -5.158 1.00 1.00 C ATOM 331 C ILE A 24 -0.511 6.491 -4.295 1.00 1.00 C ATOM 332 O ILE A 24 0.196 5.517 -4.039 1.00 1.00 O ATOM 333 CB ILE A 24 0.687 7.092 -6.438 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.255 6.113 -7.159 1.00 1.00 C ATOM 335 CG2 ILE A 24 2.007 6.382 -6.099 1.00 1.00 C ATOM 336 CD1 ILE A 24 -1.582 6.813 -7.475 1.00 1.00 C ATOM 0 H ILE A 24 1.204 8.072 -3.486 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.833 8.261 -5.443 1.00 1.00 H new ATOM 0 HB ILE A 24 0.901 7.936 -7.094 1.00 1.00 H new ATOM 0 HG12 ILE A 24 0.209 5.758 -8.079 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -0.434 5.238 -6.534 1.00 1.00 H new ATOM 0 HG21 ILE A 24 2.464 6.006 -7.015 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.686 7.086 -5.618 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.809 5.549 -5.424 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -2.248 6.117 -7.986 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -2.048 7.146 -6.547 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -1.395 7.674 -8.117 1.00 1.00 H new ATOM 348 N ALA A 25 -1.761 6.614 -3.849 1.00 1.00 N ATOM 349 CA ALA A 25 -2.389 5.586 -3.012 1.00 1.00 C ATOM 350 C ALA A 25 -3.570 4.969 -3.734 1.00 1.00 C ATOM 351 O ALA A 25 -4.483 5.675 -4.150 1.00 1.00 O ATOM 352 CB ALA A 25 -2.865 6.208 -1.698 1.00 1.00 C ATOM 0 H ALA A 25 -2.360 7.414 -4.052 1.00 1.00 H new ATOM 0 HA ALA A 25 -1.654 4.809 -2.803 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -3.331 5.440 -1.080 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.013 6.634 -1.167 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -3.591 6.994 -1.909 1.00 1.00 H new ATOM 358 N VAL A 26 -3.539 3.645 -3.897 1.00 1.00 N ATOM 359 CA VAL A 26 -4.612 2.936 -4.589 1.00 1.00 C ATOM 360 C VAL A 26 -5.344 2.047 -3.611 1.00 1.00 C ATOM 361 O VAL A 26 -5.213 2.214 -2.401 1.00 1.00 O ATOM 362 CB VAL A 26 -4.038 2.101 -5.734 1.00 1.00 C ATOM 363 CG1 VAL A 26 -3.286 3.021 -6.700 1.00 1.00 C ATOM 364 CG2 VAL A 26 -3.079 1.048 -5.169 1.00 1.00 C ATOM 0 H VAL A 26 -2.785 3.046 -3.560 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.311 3.661 -5.005 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.847 1.600 -6.265 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -2.874 2.431 -7.519 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -3.972 3.767 -7.100 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -2.475 3.521 -6.170 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.670 0.453 -5.986 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.266 1.544 -4.639 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -3.618 0.397 -4.480 1.00 1.00 H new ATOM 374 N GLN A 27 -6.103 1.090 -4.128 1.00 1.00 N ATOM 375 CA GLN A 27 -6.845 0.173 -3.276 1.00 1.00 C ATOM 376 C GLN A 27 -6.801 -1.227 -3.859 1.00 1.00 C ATOM 377 O GLN A 27 -6.669 -1.399 -5.070 1.00 1.00 O ATOM 378 CB GLN A 27 -8.297 0.627 -3.168 1.00 1.00 C ATOM 379 CG GLN A 27 -9.040 -0.303 -2.217 1.00 1.00 C ATOM 380 CD GLN A 27 -10.435 0.232 -1.958 1.00 1.00 C ATOM 381 OE1 GLN A 27 -10.725 1.386 -2.269 1.00 1.00 O ATOM 382 NE2 GLN A 27 -11.313 -0.540 -1.391 1.00 1.00 N ATOM 0 H GLN A 27 -6.220 0.930 -5.128 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.390 0.167 -2.286 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.344 1.653 -2.804 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -8.769 0.615 -4.151 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.098 -1.304 -2.645 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.494 -0.389 -1.278 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.063 -1.496 -1.137 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.252 -0.190 -1.200 1.00 1.00 H new ATOM 391 N GLY A 28 -6.898 -2.227 -2.993 1.00 1.00 N ATOM 392 CA GLY A 28 -6.854 -3.614 -3.435 1.00 1.00 C ATOM 393 C GLY A 28 -7.698 -4.485 -2.527 1.00 1.00 C ATOM 394 O GLY A 28 -8.047 -4.088 -1.415 1.00 1.00 O ATOM 0 H GLY A 28 -7.007 -2.105 -1.986 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.217 -3.687 -4.460 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -5.824 -3.970 -3.436 1.00 1.00 H new ATOM 398 N VAL A 29 -8.021 -5.677 -3.007 1.00 1.00 N ATOM 399 CA VAL A 29 -8.828 -6.617 -2.237 1.00 1.00 C ATOM 400 C VAL A 29 -7.925 -7.668 -1.615 1.00 1.00 C ATOM 401 O VAL A 29 -6.783 -7.822 -2.016 1.00 1.00 O ATOM 402 CB VAL A 29 -9.864 -7.287 -3.147 1.00 1.00 C ATOM 403 CG1 VAL A 29 -10.941 -7.984 -2.302 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.518 -6.227 -4.039 1.00 1.00 C ATOM 0 H VAL A 29 -7.738 -6.018 -3.926 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.352 -6.079 -1.447 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.365 -8.032 -3.767 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.671 -8.456 -2.960 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.475 -8.743 -1.673 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.442 -7.249 -1.673 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.255 -6.701 -4.687 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.010 -5.480 -3.416 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.755 -5.744 -4.650 1.00 1.00 H new ATOM 414 N LEU A 30 -8.459 -8.418 -0.666 1.00 1.00 N ATOM 415 CA LEU A 30 -7.710 -9.494 -0.026 1.00 1.00 C ATOM 416 C LEU A 30 -8.661 -10.675 0.098 1.00 1.00 C ATOM 417 O LEU A 30 -9.673 -10.577 0.792 1.00 1.00 O ATOM 418 CB LEU A 30 -7.229 -9.041 1.365 1.00 1.00 C ATOM 419 CG LEU A 30 -6.023 -9.880 1.835 1.00 1.00 C ATOM 420 CD1 LEU A 30 -6.284 -11.381 1.616 1.00 1.00 C ATOM 421 CD2 LEU A 30 -4.743 -9.438 1.082 1.00 1.00 C ATOM 0 H LEU A 30 -9.411 -8.304 -0.319 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.830 -9.766 -0.608 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.952 -7.987 1.332 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.043 -9.135 2.083 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.880 -9.713 2.903 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.420 -11.954 1.954 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -7.165 -11.684 2.182 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.452 -11.570 0.556 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -3.897 -10.036 1.421 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -4.883 -9.582 0.011 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -4.547 -8.385 1.284 1.00 1.00 H new ATOM 433 N CYS A 31 -8.371 -11.786 -0.577 1.00 1.00 N ATOM 434 CA CYS A 31 -9.260 -12.944 -0.521 1.00 1.00 C ATOM 435 C CYS A 31 -8.748 -13.976 0.471 1.00 1.00 C ATOM 436 O CYS A 31 -7.628 -14.471 0.351 1.00 1.00 O ATOM 437 CB CYS A 31 -9.365 -13.576 -1.913 1.00 1.00 C ATOM 438 SG CYS A 31 -10.175 -15.192 -1.795 1.00 1.00 S ATOM 0 H CYS A 31 -7.542 -11.908 -1.159 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.243 -12.609 -0.191 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -9.931 -12.923 -2.577 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -8.372 -13.688 -2.347 1.00 1.00 H new ATOM 0 HG CYS A 31 -10.262 -15.721 -2.979 1.00 1.00 H new ATOM 444 N LYS A 32 -9.601 -14.326 1.427 1.00 1.00 N ATOM 445 CA LYS A 32 -9.270 -15.339 2.420 1.00 1.00 C ATOM 446 C LYS A 32 -10.315 -16.437 2.340 1.00 1.00 C ATOM 447 O LYS A 32 -11.504 -16.162 2.506 1.00 1.00 O ATOM 448 CB LYS A 32 -9.257 -14.737 3.832 1.00 1.00 C ATOM 449 CG LYS A 32 -8.483 -15.664 4.771 1.00 1.00 C ATOM 450 CD LYS A 32 -8.356 -15.025 6.152 1.00 1.00 C ATOM 451 CE LYS A 32 -7.414 -15.872 7.000 1.00 1.00 C ATOM 452 NZ LYS A 32 -8.032 -17.205 7.261 1.00 1.00 N ATOM 0 H LYS A 32 -10.531 -13.921 1.535 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.276 -15.738 2.217 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.795 -13.750 3.815 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -10.277 -14.605 4.193 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -8.995 -16.623 4.851 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -7.493 -15.864 4.362 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -7.973 -14.008 6.064 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -9.334 -14.957 6.628 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -6.461 -15.997 6.487 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -7.205 -15.367 7.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -7.511 -17.686 8.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -9.024 -17.078 7.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -7.993 -17.781 6.396 1.00 1.00 H new ATOM 466 N GLY A 33 -9.872 -17.668 2.059 1.00 1.00 N ATOM 467 CA GLY A 33 -10.776 -18.820 1.926 1.00 1.00 C ATOM 468 C GLY A 33 -12.130 -18.575 2.589 1.00 1.00 C ATOM 469 O GLY A 33 -12.256 -18.644 3.812 1.00 1.00 O ATOM 0 H GLY A 33 -8.887 -17.894 1.918 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.926 -19.041 0.869 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.309 -19.698 2.372 1.00 1.00 H new ATOM 473 N ASP A 34 -13.138 -18.280 1.769 1.00 1.00 N ATOM 474 CA ASP A 34 -14.476 -18.021 2.283 1.00 1.00 C ATOM 475 C ASP A 34 -14.437 -16.903 3.325 1.00 1.00 C ATOM 476 O ASP A 34 -14.836 -17.098 4.473 1.00 1.00 O ATOM 477 CB ASP A 34 -15.046 -19.297 2.902 1.00 1.00 C ATOM 478 CG ASP A 34 -15.366 -20.307 1.804 1.00 1.00 C ATOM 479 OD1 ASP A 34 -15.434 -19.903 0.655 1.00 1.00 O ATOM 480 OD2 ASP A 34 -15.539 -21.470 2.129 1.00 1.00 O ATOM 0 H ASP A 34 -13.052 -18.215 0.755 1.00 1.00 H new ATOM 0 HA ASP A 34 -15.117 -17.705 1.460 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -14.329 -19.724 3.603 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -15.947 -19.065 3.469 1.00 1.00 H new ATOM 485 N SER A 35 -13.958 -15.732 2.908 1.00 1.00 N ATOM 486 CA SER A 35 -13.862 -14.574 3.794 1.00 1.00 C ATOM 487 C SER A 35 -13.083 -13.462 3.100 1.00 1.00 C ATOM 488 O SER A 35 -11.925 -13.211 3.426 1.00 1.00 O ATOM 489 CB SER A 35 -13.150 -14.952 5.093 1.00 1.00 C ATOM 490 OG SER A 35 -12.620 -13.777 5.695 1.00 1.00 O ATOM 0 H SER A 35 -13.629 -15.560 1.958 1.00 1.00 H new ATOM 0 HA SER A 35 -14.870 -14.231 4.028 1.00 1.00 H new ATOM 0 HB2 SER A 35 -13.846 -15.442 5.774 1.00 1.00 H new ATOM 0 HB3 SER A 35 -12.350 -15.663 4.889 1.00 1.00 H new ATOM 0 HG SER A 35 -11.867 -13.447 5.161 1.00 1.00 H new ATOM 496 N ARG A 36 -13.710 -12.805 2.131 1.00 1.00 N ATOM 497 CA ARG A 36 -13.039 -11.738 1.397 1.00 1.00 C ATOM 498 C ARG A 36 -13.034 -10.451 2.214 1.00 1.00 C ATOM 499 O ARG A 36 -14.051 -10.066 2.792 1.00 1.00 O ATOM 500 CB ARG A 36 -13.749 -11.533 0.054 1.00 1.00 C ATOM 501 CG ARG A 36 -12.854 -10.740 -0.920 1.00 1.00 C ATOM 502 CD ARG A 36 -13.275 -11.031 -2.364 1.00 1.00 C ATOM 503 NE ARG A 36 -12.308 -10.461 -3.291 1.00 1.00 N ATOM 504 CZ ARG A 36 -12.607 -10.271 -4.572 1.00 1.00 C ATOM 505 NH1 ARG A 36 -13.789 -10.593 -5.021 1.00 1.00 N ATOM 506 NH2 ARG A 36 -11.718 -9.763 -5.380 1.00 1.00 N ATOM 0 H ARG A 36 -14.670 -12.989 1.838 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.001 -12.016 1.213 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.001 -12.500 -0.381 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -14.687 -11.000 0.210 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -12.935 -9.672 -0.716 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -11.809 -11.014 -0.774 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -13.349 -12.107 -2.520 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -14.263 -10.613 -2.554 1.00 1.00 H new ATOM 0 HE ARG A 36 -11.382 -10.202 -2.950 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -14.484 -10.991 -4.389 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -14.018 -10.447 -6.004 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -10.794 -9.512 -5.029 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -11.947 -9.617 -6.363 1.00 1.00 H new ATOM 520 N GLN A 37 -11.865 -9.808 2.288 1.00 1.00 N ATOM 521 CA GLN A 37 -11.708 -8.580 3.074 1.00 1.00 C ATOM 522 C GLN A 37 -11.060 -7.474 2.245 1.00 1.00 C ATOM 523 O GLN A 37 -9.890 -7.563 1.878 1.00 1.00 O ATOM 524 CB GLN A 37 -10.820 -8.882 4.284 1.00 1.00 C ATOM 525 CG GLN A 37 -11.460 -9.991 5.124 1.00 1.00 C ATOM 526 CD GLN A 37 -10.433 -10.579 6.084 1.00 1.00 C ATOM 527 OE1 GLN A 37 -10.255 -10.082 7.197 1.00 1.00 O ATOM 528 NE2 GLN A 37 -9.743 -11.625 5.708 1.00 1.00 N ATOM 0 H GLN A 37 -11.016 -10.116 1.815 1.00 1.00 H new ATOM 0 HA GLN A 37 -12.694 -8.239 3.391 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -9.828 -9.189 3.953 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.691 -7.983 4.887 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.306 -9.592 5.684 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -11.850 -10.773 4.472 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -9.895 -12.032 4.785 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -9.053 -12.034 6.338 1.00 1.00 H new ATOM 537 N SER A 38 -11.829 -6.429 1.968 1.00 1.00 N ATOM 538 CA SER A 38 -11.312 -5.306 1.197 1.00 1.00 C ATOM 539 C SER A 38 -10.352 -4.474 2.047 1.00 1.00 C ATOM 540 O SER A 38 -10.630 -4.190 3.211 1.00 1.00 O ATOM 541 CB SER A 38 -12.456 -4.426 0.704 1.00 1.00 C ATOM 542 OG SER A 38 -13.477 -5.247 0.154 1.00 1.00 O ATOM 0 H SER A 38 -12.801 -6.335 2.261 1.00 1.00 H new ATOM 0 HA SER A 38 -10.773 -5.702 0.336 1.00 1.00 H new ATOM 0 HB2 SER A 38 -12.854 -3.833 1.527 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.093 -3.725 -0.048 1.00 1.00 H new ATOM 0 HG SER A 38 -14.214 -4.684 -0.162 1.00 1.00 H new ATOM 548 N ARG A 39 -9.214 -4.095 1.455 1.00 1.00 N ATOM 549 CA ARG A 39 -8.204 -3.301 2.166 1.00 1.00 C ATOM 550 C ARG A 39 -7.763 -2.103 1.321 1.00 1.00 C ATOM 551 O ARG A 39 -7.823 -2.137 0.093 1.00 1.00 O ATOM 552 CB ARG A 39 -6.980 -4.171 2.476 1.00 1.00 C ATOM 553 CG ARG A 39 -7.380 -5.410 3.296 1.00 1.00 C ATOM 554 CD ARG A 39 -7.611 -5.032 4.766 1.00 1.00 C ATOM 555 NE ARG A 39 -7.803 -6.243 5.572 1.00 1.00 N ATOM 556 CZ ARG A 39 -8.596 -6.253 6.645 1.00 1.00 C ATOM 557 NH1 ARG A 39 -9.212 -5.164 7.020 1.00 1.00 N ATOM 558 NH2 ARG A 39 -8.751 -7.353 7.330 1.00 1.00 N ATOM 0 H ARG A 39 -8.969 -4.323 0.491 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.647 -2.939 3.094 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.506 -4.483 1.546 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.244 -3.587 3.028 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -8.287 -5.850 2.881 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -6.598 -6.166 3.228 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.759 -4.466 5.143 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -8.485 -4.386 4.851 1.00 1.00 H new ATOM 0 HE ARG A 39 -7.318 -7.099 5.305 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -9.088 -4.300 6.492 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -9.817 -5.177 7.841 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -8.266 -8.204 7.045 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -9.357 -7.362 8.150 1.00 1.00 H new ATOM 572 N LEU A 40 -7.310 -1.051 2.006 1.00 1.00 N ATOM 573 CA LEU A 40 -6.843 0.177 1.340 1.00 1.00 C ATOM 574 C LEU A 40 -5.388 0.448 1.717 1.00 1.00 C ATOM 575 O LEU A 40 -5.056 0.482 2.901 1.00 1.00 O ATOM 576 CB LEU A 40 -7.743 1.354 1.765 1.00 1.00 C ATOM 577 CG LEU A 40 -7.284 2.672 1.124 1.00 1.00 C ATOM 578 CD1 LEU A 40 -7.582 2.660 -0.376 1.00 1.00 C ATOM 579 CD2 LEU A 40 -8.039 3.834 1.772 1.00 1.00 C ATOM 0 H LEU A 40 -7.255 -1.020 3.024 1.00 1.00 H new ATOM 0 HA LEU A 40 -6.900 0.058 0.258 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -8.774 1.148 1.477 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.728 1.451 2.851 1.00 1.00 H new ATOM 0 HG LEU A 40 -6.211 2.788 1.276 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -7.252 3.599 -0.820 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -7.052 1.831 -0.846 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -8.654 2.541 -0.533 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -7.718 4.773 1.321 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -9.110 3.704 1.616 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -7.828 3.854 2.841 1.00 1.00 H new ATOM 591 N LEU A 41 -4.503 0.616 0.716 1.00 1.00 N ATOM 592 CA LEU A 41 -3.088 0.846 1.013 1.00 1.00 C ATOM 593 C LEU A 41 -2.465 1.736 -0.046 1.00 1.00 C ATOM 594 O LEU A 41 -2.856 1.686 -1.213 1.00 1.00 O ATOM 595 CB LEU A 41 -2.320 -0.495 1.033 1.00 1.00 C ATOM 596 CG LEU A 41 -3.063 -1.562 0.212 1.00 1.00 C ATOM 597 CD1 LEU A 41 -3.145 -1.130 -1.260 1.00 1.00 C ATOM 598 CD2 LEU A 41 -2.293 -2.882 0.306 1.00 1.00 C ATOM 0 H LEU A 41 -4.739 0.597 -0.276 1.00 1.00 H new ATOM 0 HA LEU A 41 -3.023 1.327 1.989 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -1.318 -0.351 0.629 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -2.203 -0.837 2.061 1.00 1.00 H new ATOM 0 HG LEU A 41 -4.072 -1.684 0.605 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -3.673 -1.892 -1.834 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -3.682 -0.184 -1.332 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -2.138 -1.007 -1.660 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -2.811 -3.647 -0.273 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -1.287 -2.745 -0.091 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -2.233 -3.195 1.348 1.00 1.00 H new ATOM 610 N GLY A 42 -1.489 2.546 0.352 1.00 1.00 N ATOM 611 CA GLY A 42 -0.822 3.425 -0.601 1.00 1.00 C ATOM 612 C GLY A 42 0.674 3.502 -0.338 1.00 1.00 C ATOM 613 O GLY A 42 1.256 2.624 0.300 1.00 1.00 O ATOM 0 H GLY A 42 -1.147 2.612 1.311 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -0.996 3.063 -1.614 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.255 4.424 -0.541 1.00 1.00 H new ATOM 617 N LEU A 43 1.285 4.572 -0.833 1.00 1.00 N ATOM 618 CA LEU A 43 2.720 4.799 -0.663 1.00 1.00 C ATOM 619 C LEU A 43 2.956 6.245 -0.240 1.00 1.00 C ATOM 620 O LEU A 43 2.336 7.162 -0.778 1.00 1.00 O ATOM 621 CB LEU A 43 3.447 4.491 -1.978 1.00 1.00 C ATOM 622 CG LEU A 43 4.949 4.781 -1.851 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.553 3.989 -0.679 1.00 1.00 C ATOM 624 CD2 LEU A 43 5.646 4.371 -3.153 1.00 1.00 C ATOM 0 H LEU A 43 0.807 5.303 -1.360 1.00 1.00 H new ATOM 0 HA LEU A 43 3.112 4.140 0.112 1.00 1.00 H new ATOM 0 HB2 LEU A 43 3.295 3.446 -2.246 1.00 1.00 H new ATOM 0 HB3 LEU A 43 3.023 5.092 -2.783 1.00 1.00 H new ATOM 0 HG LEU A 43 5.093 5.845 -1.664 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.618 4.207 -0.604 1.00 1.00 H new ATOM 0 HD12 LEU A 43 5.057 4.277 0.248 1.00 1.00 H new ATOM 0 HD13 LEU A 43 5.412 2.922 -0.850 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.714 4.573 -3.073 1.00 1.00 H new ATOM 0 HD22 LEU A 43 5.490 3.307 -3.330 1.00 1.00 H new ATOM 0 HD23 LEU A 43 5.230 4.941 -3.984 1.00 1.00 H new ATOM 636 N VAL A 44 3.852 6.447 0.727 1.00 1.00 N ATOM 637 CA VAL A 44 4.155 7.795 1.217 1.00 1.00 C ATOM 638 C VAL A 44 5.647 8.086 1.112 1.00 1.00 C ATOM 639 O VAL A 44 6.478 7.305 1.572 1.00 1.00 O ATOM 640 CB VAL A 44 3.710 7.928 2.675 1.00 1.00 C ATOM 641 CG1 VAL A 44 2.212 7.629 2.784 1.00 1.00 C ATOM 642 CG2 VAL A 44 4.492 6.936 3.544 1.00 1.00 C ATOM 0 H VAL A 44 4.378 5.702 1.184 1.00 1.00 H new ATOM 0 HA VAL A 44 3.615 8.514 0.601 1.00 1.00 H new ATOM 0 HB VAL A 44 3.904 8.944 3.019 1.00 1.00 H new ATOM 0 HG11 VAL A 44 1.897 7.724 3.823 1.00 1.00 H new ATOM 0 HG12 VAL A 44 1.654 8.336 2.169 1.00 1.00 H new ATOM 0 HG13 VAL A 44 2.017 6.614 2.437 1.00 1.00 H new ATOM 0 HG21 VAL A 44 4.174 7.032 4.582 1.00 1.00 H new ATOM 0 HG22 VAL A 44 4.301 5.920 3.198 1.00 1.00 H new ATOM 0 HG23 VAL A 44 5.558 7.150 3.470 1.00 1.00 H new ATOM 652 N ARG A 45 5.975 9.235 0.520 1.00 1.00 N ATOM 653 CA ARG A 45 7.370 9.654 0.374 1.00 1.00 C ATOM 654 C ARG A 45 7.633 10.823 1.311 1.00 1.00 C ATOM 655 O ARG A 45 6.943 11.837 1.259 1.00 1.00 O ATOM 656 CB ARG A 45 7.648 10.072 -1.079 1.00 1.00 C ATOM 657 CG ARG A 45 9.065 10.653 -1.194 1.00 1.00 C ATOM 658 CD ARG A 45 9.376 10.958 -2.660 1.00 1.00 C ATOM 659 NE ARG A 45 9.440 9.722 -3.429 1.00 1.00 N ATOM 660 CZ ARG A 45 9.676 9.741 -4.735 1.00 1.00 C ATOM 661 NH1 ARG A 45 9.860 10.879 -5.348 1.00 1.00 N ATOM 662 NH2 ARG A 45 9.725 8.623 -5.406 1.00 1.00 N ATOM 0 H ARG A 45 5.296 9.891 0.135 1.00 1.00 H new ATOM 0 HA ARG A 45 8.030 8.824 0.627 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.544 9.212 -1.740 1.00 1.00 H new ATOM 0 HB3 ARG A 45 6.915 10.812 -1.400 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.146 11.562 -0.598 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.793 9.945 -0.797 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.609 11.613 -3.073 1.00 1.00 H new ATOM 0 HD3 ARG A 45 10.324 11.491 -2.735 1.00 1.00 H new ATOM 0 HE ARG A 45 9.301 8.829 -2.957 1.00 1.00 H new ATOM 0 HH11 ARG A 45 9.822 11.753 -4.823 1.00 1.00 H new ATOM 0 HH12 ARG A 45 10.041 10.894 -6.352 1.00 1.00 H new ATOM 0 HH21 ARG A 45 9.582 7.734 -4.927 1.00 1.00 H new ATOM 0 HH22 ARG A 45 9.906 8.638 -6.410 1.00 1.00 H new ATOM 676 N TYR A 46 8.632 10.672 2.174 1.00 1.00 N ATOM 677 CA TYR A 46 8.984 11.720 3.134 1.00 1.00 C ATOM 678 C TYR A 46 10.386 12.246 2.827 1.00 1.00 C ATOM 679 O TYR A 46 11.336 11.472 2.709 1.00 1.00 O ATOM 680 CB TYR A 46 8.903 11.138 4.550 1.00 1.00 C ATOM 681 CG TYR A 46 9.179 12.210 5.581 1.00 1.00 C ATOM 682 CD1 TYR A 46 8.291 13.281 5.737 1.00 1.00 C ATOM 683 CD2 TYR A 46 10.325 12.131 6.377 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.550 14.271 6.693 1.00 1.00 C ATOM 685 CE2 TYR A 46 10.588 13.118 7.331 1.00 1.00 C ATOM 686 CZ TYR A 46 9.701 14.189 7.492 1.00 1.00 C ATOM 687 OH TYR A 46 9.959 15.165 8.434 1.00 1.00 O ATOM 0 H TYR A 46 9.214 9.836 2.231 1.00 1.00 H new ATOM 0 HA TYR A 46 8.289 12.557 3.059 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.915 10.710 4.718 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.624 10.327 4.658 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.407 13.344 5.120 1.00 1.00 H new ATOM 0 HD2 TYR A 46 11.010 11.305 6.255 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.865 15.097 6.815 1.00 1.00 H new ATOM 0 HE2 TYR A 46 11.475 13.054 7.944 1.00 1.00 H new ATOM 0 HH TYR A 46 10.795 14.956 8.901 1.00 1.00 H new ATOM 697 N ARG A 47 10.503 13.568 2.678 1.00 1.00 N ATOM 698 CA ARG A 47 11.788 14.196 2.359 1.00 1.00 C ATOM 699 C ARG A 47 12.498 14.660 3.624 1.00 1.00 C ATOM 700 O ARG A 47 11.862 15.070 4.596 1.00 1.00 O ATOM 701 CB ARG A 47 11.572 15.399 1.430 1.00 1.00 C ATOM 702 CG ARG A 47 12.931 15.979 1.010 1.00 1.00 C ATOM 703 CD ARG A 47 12.720 17.189 0.100 1.00 1.00 C ATOM 704 NE ARG A 47 12.095 16.776 -1.152 1.00 1.00 N ATOM 705 CZ ARG A 47 12.818 16.275 -2.151 1.00 1.00 C ATOM 706 NH1 ARG A 47 14.109 16.146 -2.019 1.00 1.00 N ATOM 707 NH2 ARG A 47 12.234 15.916 -3.262 1.00 1.00 N ATOM 0 H ARG A 47 9.726 14.222 2.773 1.00 1.00 H new ATOM 0 HA ARG A 47 12.409 13.453 1.860 1.00 1.00 H new ATOM 0 HB2 ARG A 47 11.008 15.094 0.549 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.981 16.162 1.938 1.00 1.00 H new ATOM 0 HG2 ARG A 47 13.500 16.271 1.892 1.00 1.00 H new ATOM 0 HG3 ARG A 47 13.516 15.220 0.491 1.00 1.00 H new ATOM 0 HD2 ARG A 47 12.093 17.926 0.602 1.00 1.00 H new ATOM 0 HD3 ARG A 47 13.676 17.671 -0.104 1.00 1.00 H new ATOM 0 HE ARG A 47 11.086 16.873 -1.264 1.00 1.00 H new ATOM 0 HH11 ARG A 47 14.564 16.429 -1.151 1.00 1.00 H new ATOM 0 HH12 ARG A 47 14.664 15.762 -2.784 1.00 1.00 H new ATOM 0 HH21 ARG A 47 11.224 16.020 -3.364 1.00 1.00 H new ATOM 0 HH22 ARG A 47 12.787 15.532 -4.028 1.00 1.00 H new ATOM 721 N LEU A 48 13.832 14.598 3.596 1.00 1.00 N ATOM 722 CA LEU A 48 14.655 15.020 4.734 1.00 1.00 C ATOM 723 C LEU A 48 15.481 16.249 4.358 1.00 1.00 C ATOM 724 O LEU A 48 15.881 16.414 3.205 1.00 1.00 O ATOM 725 CB LEU A 48 15.600 13.881 5.154 1.00 1.00 C ATOM 726 CG LEU A 48 14.895 12.893 6.105 1.00 1.00 C ATOM 727 CD1 LEU A 48 14.761 13.501 7.516 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.503 12.527 5.572 1.00 1.00 C ATOM 0 H LEU A 48 14.367 14.259 2.796 1.00 1.00 H new ATOM 0 HA LEU A 48 13.996 15.268 5.566 1.00 1.00 H new ATOM 0 HB2 LEU A 48 15.950 13.350 4.269 1.00 1.00 H new ATOM 0 HB3 LEU A 48 16.480 14.297 5.645 1.00 1.00 H new ATOM 0 HG LEU A 48 15.503 11.990 6.161 1.00 1.00 H new ATOM 0 HD11 LEU A 48 14.261 12.789 8.173 1.00 1.00 H new ATOM 0 HD12 LEU A 48 15.752 13.725 7.911 1.00 1.00 H new ATOM 0 HD13 LEU A 48 14.175 14.419 7.463 1.00 1.00 H new ATOM 0 HD21 LEU A 48 13.023 11.829 6.258 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.897 13.429 5.489 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.600 12.063 4.591 1.00 1.00 H new ATOM 740 N GLU A 49 15.737 17.099 5.345 1.00 1.00 N ATOM 741 CA GLU A 49 16.522 18.305 5.126 1.00 1.00 C ATOM 742 C GLU A 49 18.011 17.970 5.098 1.00 1.00 C ATOM 743 O GLU A 49 18.849 18.834 4.836 1.00 1.00 O ATOM 744 CB GLU A 49 16.239 19.307 6.248 1.00 1.00 C ATOM 745 CG GLU A 49 14.795 19.799 6.131 1.00 1.00 C ATOM 746 CD GLU A 49 14.457 20.725 7.292 1.00 1.00 C ATOM 747 OE1 GLU A 49 15.325 20.949 8.121 1.00 1.00 O ATOM 748 OE2 GLU A 49 13.334 21.199 7.338 1.00 1.00 O ATOM 0 H GLU A 49 15.412 16.975 6.304 1.00 1.00 H new ATOM 0 HA GLU A 49 16.243 18.741 4.167 1.00 1.00 H new ATOM 0 HB2 GLU A 49 16.399 18.838 7.219 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.929 20.148 6.183 1.00 1.00 H new ATOM 0 HG2 GLU A 49 14.658 20.324 5.186 1.00 1.00 H new ATOM 0 HG3 GLU A 49 14.113 18.949 6.125 1.00 1.00 H new ATOM 755 N ASN A 50 18.332 16.703 5.369 1.00 1.00 N ATOM 756 CA ASN A 50 19.722 16.241 5.374 1.00 1.00 C ATOM 757 C ASN A 50 20.023 15.417 4.125 1.00 1.00 C ATOM 758 O ASN A 50 21.131 14.906 3.964 1.00 1.00 O ATOM 759 CB ASN A 50 19.972 15.373 6.608 1.00 1.00 C ATOM 760 CG ASN A 50 19.860 16.217 7.874 1.00 1.00 C ATOM 761 OD1 ASN A 50 20.114 17.419 7.845 1.00 1.00 O ATOM 762 ND2 ASN A 50 19.487 15.651 8.988 1.00 1.00 N ATOM 0 H ASN A 50 17.648 15.978 5.588 1.00 1.00 H new ATOM 0 HA ASN A 50 20.372 17.116 5.390 1.00 1.00 H new ATOM 0 HB2 ASN A 50 19.250 14.557 6.641 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.962 14.921 6.550 1.00 1.00 H new ATOM 0 HD21 ASN A 50 19.405 16.206 9.840 1.00 1.00 H new ATOM 0 HD22 ASN A 50 19.277 14.653 9.008 1.00 1.00 H new ATOM 769 N ASP A 51 19.021 15.269 3.257 1.00 1.00 N ATOM 770 CA ASP A 51 19.171 14.481 2.033 1.00 1.00 C ATOM 771 C ASP A 51 19.055 12.993 2.359 1.00 1.00 C ATOM 772 O ASP A 51 20.042 12.258 2.346 1.00 1.00 O ATOM 773 CB ASP A 51 20.523 14.776 1.354 1.00 1.00 C ATOM 774 CG ASP A 51 20.452 14.507 -0.153 1.00 1.00 C ATOM 775 OD1 ASP A 51 19.380 14.649 -0.718 1.00 1.00 O ATOM 776 OD2 ASP A 51 21.479 14.171 -0.720 1.00 1.00 O ATOM 0 H ASP A 51 18.097 15.684 3.379 1.00 1.00 H new ATOM 0 HA ASP A 51 18.377 14.759 1.340 1.00 1.00 H new ATOM 0 HB2 ASP A 51 20.802 15.815 1.529 1.00 1.00 H new ATOM 0 HB3 ASP A 51 21.301 14.157 1.801 1.00 1.00 H new ATOM 781 N ALA A 52 17.836 12.561 2.646 1.00 1.00 N ATOM 782 CA ALA A 52 17.583 11.164 2.971 1.00 1.00 C ATOM 783 C ALA A 52 16.107 10.851 2.782 1.00 1.00 C ATOM 784 O ALA A 52 15.274 11.236 3.594 1.00 1.00 O ATOM 785 CB ALA A 52 17.989 10.880 4.418 1.00 1.00 C ATOM 0 H ALA A 52 17.008 13.156 2.661 1.00 1.00 H new ATOM 0 HA ALA A 52 18.173 10.534 2.306 1.00 1.00 H new ATOM 0 HB1 ALA A 52 17.796 9.833 4.651 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.051 11.090 4.546 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.410 11.514 5.089 1.00 1.00 H new ATOM 791 N GLN A 53 15.788 10.149 1.709 1.00 1.00 N ATOM 792 CA GLN A 53 14.401 9.795 1.422 1.00 1.00 C ATOM 793 C GLN A 53 13.975 8.567 2.218 1.00 1.00 C ATOM 794 O GLN A 53 14.726 7.599 2.344 1.00 1.00 O ATOM 795 CB GLN A 53 14.232 9.508 -0.070 1.00 1.00 C ATOM 796 CG GLN A 53 14.876 10.629 -0.888 1.00 1.00 C ATOM 797 CD GLN A 53 14.292 11.979 -0.483 1.00 1.00 C ATOM 798 OE1 GLN A 53 14.634 12.514 0.571 1.00 1.00 O ATOM 799 NE2 GLN A 53 13.420 12.562 -1.261 1.00 1.00 N ATOM 0 H GLN A 53 16.463 9.812 1.023 1.00 1.00 H new ATOM 0 HA GLN A 53 13.773 10.638 1.711 1.00 1.00 H new ATOM 0 HB2 GLN A 53 14.692 8.552 -0.320 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.173 9.427 -0.317 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.955 10.630 -0.732 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.708 10.456 -1.951 1.00 1.00 H new ATOM 0 HE21 GLN A 53 13.138 12.117 -2.134 1.00 1.00 H new ATOM 0 HE22 GLN A 53 13.021 13.462 -0.995 1.00 1.00 H new ATOM 808 N GLU A 54 12.752 8.614 2.745 1.00 1.00 N ATOM 809 CA GLU A 54 12.197 7.510 3.522 1.00 1.00 C ATOM 810 C GLU A 54 10.829 7.132 2.967 1.00 1.00 C ATOM 811 O GLU A 54 9.957 7.988 2.812 1.00 1.00 O ATOM 812 CB GLU A 54 12.070 7.934 4.981 1.00 1.00 C ATOM 813 CG GLU A 54 13.466 8.097 5.583 1.00 1.00 C ATOM 814 CD GLU A 54 13.367 8.688 6.983 1.00 1.00 C ATOM 815 OE1 GLU A 54 12.266 9.014 7.392 1.00 1.00 O ATOM 816 OE2 GLU A 54 14.397 8.807 7.628 1.00 1.00 O ATOM 0 H GLU A 54 12.124 9.412 2.646 1.00 1.00 H new ATOM 0 HA GLU A 54 12.857 6.645 3.456 1.00 1.00 H new ATOM 0 HB2 GLU A 54 11.519 8.872 5.053 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.505 7.189 5.540 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.968 7.131 5.623 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.071 8.745 4.948 1.00 1.00 H new ATOM 823 N HIS A 55 10.649 5.850 2.650 1.00 1.00 N ATOM 824 CA HIS A 55 9.383 5.368 2.087 1.00 1.00 C ATOM 825 C HIS A 55 8.813 4.224 2.915 1.00 1.00 C ATOM 826 O HIS A 55 9.556 3.428 3.491 1.00 1.00 O ATOM 827 CB HIS A 55 9.613 4.865 0.665 1.00 1.00 C ATOM 828 CG HIS A 55 10.117 5.981 -0.206 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.466 6.158 -0.470 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.466 6.968 -0.902 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.583 7.213 -1.296 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.394 7.746 -1.591 1.00 1.00 N ATOM 0 H HIS A 55 11.359 5.128 2.772 1.00 1.00 H new ATOM 0 HA HIS A 55 8.677 6.199 2.092 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.333 4.047 0.673 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.684 4.467 0.257 1.00 1.00 H new ATOM 0 HD1 HIS A 55 12.231 5.591 -0.104 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.397 7.119 -0.914 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.524 7.584 -1.675 1.00 1.00 H new ATOM 840 N ALA A 56 7.485 4.134 2.956 1.00 1.00 N ATOM 841 CA ALA A 56 6.814 3.073 3.697 1.00 1.00 C ATOM 842 C ALA A 56 5.439 2.803 3.085 1.00 1.00 C ATOM 843 O ALA A 56 4.794 3.713 2.564 1.00 1.00 O ATOM 844 CB ALA A 56 6.662 3.472 5.167 1.00 1.00 C ATOM 0 H ALA A 56 6.855 4.783 2.485 1.00 1.00 H new ATOM 0 HA ALA A 56 7.415 2.166 3.639 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.160 2.672 5.711 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.647 3.643 5.601 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.071 4.385 5.237 1.00 1.00 H new ATOM 850 N LEU A 57 4.998 1.547 3.137 1.00 1.00 N ATOM 851 CA LEU A 57 3.699 1.174 2.570 1.00 1.00 C ATOM 852 C LEU A 57 2.665 1.103 3.678 1.00 1.00 C ATOM 853 O LEU A 57 2.607 0.136 4.438 1.00 1.00 O ATOM 854 CB LEU A 57 3.814 -0.184 1.861 1.00 1.00 C ATOM 855 CG LEU A 57 2.590 -0.439 0.947 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.972 -1.443 -0.148 1.00 1.00 C ATOM 857 CD2 LEU A 57 1.410 -1.006 1.759 1.00 1.00 C ATOM 0 H LEU A 57 5.514 0.776 3.561 1.00 1.00 H new ATOM 0 HA LEU A 57 3.389 1.924 1.843 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.728 -0.212 1.267 1.00 1.00 H new ATOM 0 HB3 LEU A 57 3.891 -0.980 2.602 1.00 1.00 H new ATOM 0 HG LEU A 57 2.288 0.509 0.501 1.00 1.00 H new ATOM 0 HD11 LEU A 57 2.112 -1.624 -0.792 1.00 1.00 H new ATOM 0 HD12 LEU A 57 3.792 -1.039 -0.742 1.00 1.00 H new ATOM 0 HD13 LEU A 57 3.285 -2.381 0.311 1.00 1.00 H new ATOM 0 HD21 LEU A 57 0.561 -1.177 1.097 1.00 1.00 H new ATOM 0 HD22 LEU A 57 1.706 -1.948 2.221 1.00 1.00 H new ATOM 0 HD23 LEU A 57 1.127 -0.294 2.535 1.00 1.00 H new ATOM 869 N PHE A 58 1.869 2.155 3.773 1.00 1.00 N ATOM 870 CA PHE A 58 0.848 2.251 4.797 1.00 1.00 C ATOM 871 C PHE A 58 -0.368 1.404 4.437 1.00 1.00 C ATOM 872 O PHE A 58 -0.723 1.270 3.266 1.00 1.00 O ATOM 873 CB PHE A 58 0.445 3.724 4.951 1.00 1.00 C ATOM 874 CG PHE A 58 1.422 4.463 5.850 1.00 1.00 C ATOM 875 CD1 PHE A 58 2.770 4.064 5.959 1.00 1.00 C ATOM 876 CD2 PHE A 58 0.967 5.560 6.586 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.638 4.763 6.803 1.00 1.00 C ATOM 878 CE2 PHE A 58 1.840 6.257 7.427 1.00 1.00 C ATOM 879 CZ PHE A 58 3.174 5.857 7.535 1.00 1.00 C ATOM 0 H PHE A 58 1.913 2.959 3.147 1.00 1.00 H new ATOM 0 HA PHE A 58 1.245 1.873 5.739 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.414 4.201 3.971 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.560 3.788 5.369 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.131 3.219 5.391 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -0.064 5.871 6.505 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.670 4.456 6.889 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.483 7.105 7.993 1.00 1.00 H new ATOM 0 HZ PHE A 58 3.847 6.395 8.186 1.00 1.00 H new ATOM 889 N LEU A 59 -1.013 0.853 5.464 1.00 1.00 N ATOM 890 CA LEU A 59 -2.210 0.034 5.276 1.00 1.00 C ATOM 891 C LEU A 59 -3.391 0.702 5.958 1.00 1.00 C ATOM 892 O LEU A 59 -3.359 0.968 7.159 1.00 1.00 O ATOM 893 CB LEU A 59 -2.013 -1.359 5.880 1.00 1.00 C ATOM 894 CG LEU A 59 -3.200 -2.288 5.488 1.00 1.00 C ATOM 895 CD1 LEU A 59 -2.846 -3.104 4.232 1.00 1.00 C ATOM 896 CD2 LEU A 59 -3.530 -3.249 6.641 1.00 1.00 C ATOM 0 H LEU A 59 -0.726 0.959 6.437 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.396 -0.065 4.207 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -1.075 -1.787 5.527 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -1.942 -1.286 6.965 1.00 1.00 H new ATOM 0 HG LEU A 59 -4.069 -1.663 5.280 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -3.684 -3.749 3.969 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -2.636 -2.426 3.405 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -1.966 -3.716 4.432 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -4.362 -3.892 6.352 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.657 -3.863 6.864 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -3.806 -2.675 7.526 1.00 1.00 H new ATOM 908 N TYR A 60 -4.433 0.964 5.185 1.00 1.00 N ATOM 909 CA TYR A 60 -5.636 1.601 5.712 1.00 1.00 C ATOM 910 C TYR A 60 -6.816 0.651 5.618 1.00 1.00 C ATOM 911 O TYR A 60 -7.052 0.053 4.573 1.00 1.00 O ATOM 912 CB TYR A 60 -5.952 2.844 4.892 1.00 1.00 C ATOM 913 CG TYR A 60 -4.877 3.882 5.072 1.00 1.00 C ATOM 914 CD1 TYR A 60 -3.736 3.860 4.263 1.00 1.00 C ATOM 915 CD2 TYR A 60 -5.036 4.879 6.035 1.00 1.00 C ATOM 916 CE1 TYR A 60 -2.753 4.843 4.418 1.00 1.00 C ATOM 917 CE2 TYR A 60 -4.058 5.864 6.189 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.915 5.847 5.380 1.00 1.00 C ATOM 919 OH TYR A 60 -1.953 6.824 5.528 1.00 1.00 O ATOM 0 H TYR A 60 -4.473 0.746 4.189 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.462 1.867 6.754 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -6.037 2.579 3.838 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.915 3.253 5.197 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -3.614 3.086 3.520 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -5.916 4.889 6.662 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -1.870 4.827 3.796 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -4.183 6.638 6.931 1.00 1.00 H new ATOM 0 HH TYR A 60 -2.222 7.443 6.239 1.00 1.00 H new ATOM 929 N THR A 61 -7.573 0.519 6.701 1.00 1.00 N ATOM 930 CA THR A 61 -8.737 -0.356 6.677 1.00 1.00 C ATOM 931 C THR A 61 -9.921 0.417 6.125 1.00 1.00 C ATOM 932 O THR A 61 -9.931 1.648 6.134 1.00 1.00 O ATOM 933 CB THR A 61 -9.050 -0.892 8.079 1.00 1.00 C ATOM 934 OG1 THR A 61 -10.099 -1.847 7.991 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.477 0.249 9.004 1.00 1.00 C ATOM 0 H THR A 61 -7.407 0.995 7.588 1.00 1.00 H new ATOM 0 HA THR A 61 -8.528 -1.214 6.037 1.00 1.00 H new ATOM 0 HB THR A 61 -8.154 -1.359 8.488 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.301 -2.194 8.885 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.696 -0.149 9.995 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.672 0.980 9.076 1.00 1.00 H new ATOM 0 HG23 THR A 61 -10.369 0.730 8.601 1.00 1.00 H new ATOM 943 N HIS A 62 -10.919 -0.304 5.655 1.00 1.00 N ATOM 944 CA HIS A 62 -12.103 0.331 5.112 1.00 1.00 C ATOM 945 C HIS A 62 -13.212 -0.684 4.925 1.00 1.00 C ATOM 946 O HIS A 62 -12.974 -1.892 4.939 1.00 1.00 O ATOM 947 CB HIS A 62 -11.787 1.027 3.783 1.00 1.00 C ATOM 948 CG HIS A 62 -11.661 0.017 2.675 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.717 -0.273 1.834 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.620 -0.778 2.262 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.302 -1.206 0.964 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.030 -1.553 1.180 1.00 1.00 N ATOM 0 H HIS A 62 -10.934 -1.324 5.638 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.439 1.086 5.823 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.575 1.741 3.544 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.860 1.593 3.874 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.646 0.147 1.868 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.636 -0.799 2.707 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -12.921 -1.625 0.184 1.00 1.00 H new ATOM 960 N ARG A 63 -14.426 -0.185 4.753 1.00 1.00 N ATOM 961 CA ARG A 63 -15.577 -1.051 4.565 1.00 1.00 C ATOM 962 C ARG A 63 -15.757 -1.392 3.088 1.00 1.00 C ATOM 963 O ARG A 63 -14.835 -1.264 2.290 1.00 1.00 O ATOM 964 CB ARG A 63 -16.842 -0.356 5.107 1.00 1.00 C ATOM 965 CG ARG A 63 -17.686 -1.359 5.883 1.00 1.00 C ATOM 966 CD ARG A 63 -18.972 -0.693 6.365 1.00 1.00 C ATOM 967 NE ARG A 63 -19.812 -0.325 5.229 1.00 1.00 N ATOM 968 CZ ARG A 63 -20.963 0.311 5.413 1.00 1.00 C ATOM 969 NH1 ARG A 63 -21.355 0.606 6.621 1.00 1.00 N ATOM 970 NH2 ARG A 63 -21.705 0.636 4.388 1.00 1.00 N ATOM 0 H ARG A 63 -14.639 0.813 4.740 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.412 -1.979 5.113 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.563 0.476 5.753 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.421 0.061 4.283 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -17.924 -2.214 5.250 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -17.122 -1.740 6.735 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -19.516 -1.371 7.023 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.732 0.195 6.950 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.511 -0.559 4.283 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -20.778 0.348 7.422 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -22.239 1.095 6.765 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.401 0.401 3.443 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -22.589 1.125 4.533 1.00 1.00 H new ATOM 984 N ARG A 64 -16.959 -1.833 2.740 1.00 1.00 N ATOM 985 CA ARG A 64 -17.261 -2.201 1.366 1.00 1.00 C ATOM 986 C ARG A 64 -17.160 -0.997 0.431 1.00 1.00 C ATOM 987 O ARG A 64 -16.638 -1.111 -0.677 1.00 1.00 O ATOM 988 CB ARG A 64 -18.671 -2.782 1.292 1.00 1.00 C ATOM 989 CG ARG A 64 -18.693 -4.135 2.001 1.00 1.00 C ATOM 990 CD ARG A 64 -20.125 -4.662 2.032 1.00 1.00 C ATOM 991 NE ARG A 64 -20.597 -4.901 0.674 1.00 1.00 N ATOM 992 CZ ARG A 64 -21.863 -5.221 0.435 1.00 1.00 C ATOM 993 NH1 ARG A 64 -22.707 -5.324 1.424 1.00 1.00 N ATOM 994 NH2 ARG A 64 -22.260 -5.427 -0.790 1.00 1.00 N ATOM 0 H ARG A 64 -17.738 -1.944 3.389 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.530 -2.944 1.046 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.383 -2.101 1.759 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -18.976 -2.898 0.252 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -18.044 -4.841 1.483 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -18.308 -4.034 3.016 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -20.169 -5.586 2.609 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -20.775 -3.943 2.531 1.00 1.00 H new ATOM 0 HE ARG A 64 -19.944 -4.821 -0.105 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -22.394 -5.159 2.381 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -23.680 -5.570 1.241 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -21.598 -5.342 -1.562 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -23.232 -5.673 -0.976 1.00 1.00 H new ATOM 1008 N MET A 65 -17.672 0.154 0.870 1.00 1.00 N ATOM 1009 CA MET A 65 -17.644 1.366 0.048 1.00 1.00 C ATOM 1010 C MET A 65 -17.350 2.590 0.913 1.00 1.00 C ATOM 1011 O MET A 65 -17.742 3.708 0.579 1.00 1.00 O ATOM 1012 CB MET A 65 -19.003 1.540 -0.638 1.00 1.00 C ATOM 1013 CG MET A 65 -20.070 1.870 0.414 1.00 1.00 C ATOM 1014 SD MET A 65 -21.720 1.717 -0.319 1.00 1.00 S ATOM 1015 CE MET A 65 -21.920 -0.067 -0.083 1.00 1.00 C ATOM 0 H MET A 65 -18.109 0.273 1.784 1.00 1.00 H new ATOM 0 HA MET A 65 -16.858 1.270 -0.701 1.00 1.00 H new ATOM 0 HB2 MET A 65 -18.949 2.338 -1.379 1.00 1.00 H new ATOM 0 HB3 MET A 65 -19.273 0.628 -1.171 1.00 1.00 H new ATOM 0 HG2 MET A 65 -19.976 1.196 1.265 1.00 1.00 H new ATOM 0 HG3 MET A 65 -19.922 2.882 0.791 1.00 1.00 H new ATOM 0 HE1 MET A 65 -22.493 -0.482 -0.912 1.00 1.00 H new ATOM 0 HE2 MET A 65 -20.939 -0.541 -0.046 1.00 1.00 H new ATOM 0 HE3 MET A 65 -22.449 -0.253 0.852 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.662 2.369 2.030 1.00 1.00 N ATOM 1026 CA ALA A 66 -16.324 3.459 2.948 1.00 1.00 C ATOM 1027 C ALA A 66 -14.932 4.010 2.649 1.00 1.00 C ATOM 1028 O ALA A 66 -14.257 4.548 3.526 1.00 1.00 O ATOM 1029 CB ALA A 66 -16.395 2.960 4.387 1.00 1.00 C ATOM 0 H ALA A 66 -16.328 1.451 2.323 1.00 1.00 H new ATOM 0 HA ALA A 66 -17.044 4.266 2.810 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -16.143 3.774 5.067 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -17.404 2.608 4.601 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -15.689 2.141 4.523 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.524 3.863 1.398 1.00 1.00 N ATOM 1036 CA ILE A 67 -13.218 4.330 0.938 1.00 1.00 C ATOM 1037 C ILE A 67 -13.153 5.861 0.908 1.00 1.00 C ATOM 1038 O ILE A 67 -12.076 6.455 0.958 1.00 1.00 O ATOM 1039 CB ILE A 67 -13.005 3.791 -0.480 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -14.160 4.270 -1.377 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -12.998 2.260 -0.452 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -13.917 3.828 -2.818 1.00 1.00 C ATOM 0 H ILE A 67 -15.085 3.418 0.672 1.00 1.00 H new ATOM 0 HA ILE A 67 -12.446 3.975 1.621 1.00 1.00 H new ATOM 0 HB ILE A 67 -12.053 4.153 -0.868 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -15.105 3.862 -1.017 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -14.243 5.356 -1.330 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -12.846 1.878 -1.462 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -12.191 1.912 0.193 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -13.952 1.899 -0.067 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -14.739 4.171 -3.447 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -12.982 4.257 -3.177 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -13.857 2.740 -2.860 1.00 1.00 H new ATOM 1054 N THR A 68 -14.324 6.468 0.766 1.00 1.00 N ATOM 1055 CA THR A 68 -14.455 7.921 0.660 1.00 1.00 C ATOM 1056 C THR A 68 -13.395 8.681 1.460 1.00 1.00 C ATOM 1057 O THR A 68 -13.063 9.817 1.118 1.00 1.00 O ATOM 1058 CB THR A 68 -15.845 8.345 1.132 1.00 1.00 C ATOM 1059 OG1 THR A 68 -15.971 8.092 2.524 1.00 1.00 O ATOM 1060 CG2 THR A 68 -16.903 7.550 0.366 1.00 1.00 C ATOM 0 H THR A 68 -15.213 5.969 0.721 1.00 1.00 H new ATOM 0 HA THR A 68 -14.307 8.175 -0.390 1.00 1.00 H new ATOM 0 HB THR A 68 -15.986 9.410 0.946 1.00 1.00 H new ATOM 0 HG1 THR A 68 -16.862 8.366 2.827 1.00 1.00 H new ATOM 0 HG21 THR A 68 -17.896 7.850 0.700 1.00 1.00 H new ATOM 0 HG22 THR A 68 -16.804 7.747 -0.701 1.00 1.00 H new ATOM 0 HG23 THR A 68 -16.764 6.485 0.552 1.00 1.00 H new ATOM 1068 N GLY A 69 -12.879 8.077 2.530 1.00 1.00 N ATOM 1069 CA GLY A 69 -11.874 8.743 3.373 1.00 1.00 C ATOM 1070 C GLY A 69 -12.468 8.993 4.756 1.00 1.00 C ATOM 1071 O GLY A 69 -11.764 9.337 5.709 1.00 1.00 O ATOM 0 H GLY A 69 -13.134 7.138 2.835 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -10.981 8.123 3.454 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.568 9.686 2.919 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.790 8.853 4.813 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.557 9.092 6.027 1.00 1.00 C ATOM 1077 C ASP A 70 -14.241 8.099 7.145 1.00 1.00 C ATOM 1078 O ASP A 70 -14.059 8.515 8.285 1.00 1.00 O ATOM 1079 CB ASP A 70 -16.045 9.023 5.692 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.449 10.241 4.869 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.636 11.140 4.739 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.566 10.254 4.380 1.00 1.00 O ATOM 0 H ASP A 70 -14.359 8.570 4.015 1.00 1.00 H new ATOM 0 HA ASP A 70 -14.280 10.079 6.397 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.259 8.110 5.136 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -16.632 8.983 6.610 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.232 6.784 6.850 1.00 1.00 N ATOM 1088 CA ASP A 71 -13.999 5.768 7.895 1.00 1.00 C ATOM 1089 C ASP A 71 -12.740 4.936 7.645 1.00 1.00 C ATOM 1090 O ASP A 71 -12.721 3.742 7.957 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.209 4.829 7.943 1.00 1.00 C ATOM 1092 CG ASP A 71 -16.418 5.551 8.522 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -17.125 6.176 7.755 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -16.630 5.448 9.720 1.00 1.00 O ATOM 0 H ASP A 71 -14.380 6.405 5.915 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.859 6.294 8.839 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -15.438 4.469 6.940 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -14.975 3.954 8.550 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.692 5.550 7.098 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.442 4.821 6.829 1.00 1.00 C ATOM 1101 C VAL A 72 -9.232 5.561 7.392 1.00 1.00 C ATOM 1102 O VAL A 72 -8.951 6.692 7.002 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.274 4.632 5.317 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -11.606 4.170 4.739 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -9.853 5.951 4.650 1.00 1.00 C ATOM 0 H VAL A 72 -11.677 6.535 6.834 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.502 3.850 7.321 1.00 1.00 H new ATOM 0 HB VAL A 72 -9.498 3.890 5.128 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -11.507 4.030 3.663 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.896 3.227 5.202 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -12.369 4.922 4.938 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -9.739 5.796 3.577 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -10.616 6.709 4.828 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.905 6.285 5.071 1.00 1.00 H new ATOM 1115 N SER A 73 -8.515 4.909 8.308 1.00 1.00 N ATOM 1116 CA SER A 73 -7.329 5.501 8.924 1.00 1.00 C ATOM 1117 C SER A 73 -6.307 4.404 9.210 1.00 1.00 C ATOM 1118 O SER A 73 -6.593 3.220 9.026 1.00 1.00 O ATOM 1119 CB SER A 73 -7.717 6.207 10.219 1.00 1.00 C ATOM 1120 OG SER A 73 -8.694 7.194 9.925 1.00 1.00 O ATOM 0 H SER A 73 -8.736 3.970 8.639 1.00 1.00 H new ATOM 0 HA SER A 73 -6.891 6.232 8.244 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.111 5.488 10.938 1.00 1.00 H new ATOM 0 HB3 SER A 73 -6.841 6.667 10.676 1.00 1.00 H new ATOM 0 HG SER A 73 -8.953 7.654 10.751 1.00 1.00 H new ATOM 1126 N LEU A 74 -5.101 4.801 9.591 1.00 1.00 N ATOM 1127 CA LEU A 74 -4.022 3.840 9.820 1.00 1.00 C ATOM 1128 C LEU A 74 -4.501 2.583 10.540 1.00 1.00 C ATOM 1129 O LEU A 74 -5.055 2.636 11.638 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.919 4.503 10.657 1.00 1.00 C ATOM 1131 CG LEU A 74 -2.073 5.432 9.777 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -1.148 6.266 10.676 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.240 4.599 8.766 1.00 1.00 C ATOM 0 H LEU A 74 -4.842 5.775 9.748 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.644 3.539 8.843 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -3.364 5.070 11.475 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.285 3.739 11.107 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.726 6.098 9.213 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.542 6.930 10.059 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.749 6.859 11.365 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.496 5.602 11.243 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.644 5.269 8.147 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.580 3.922 9.309 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -1.911 4.020 8.132 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.261 1.449 9.877 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.632 0.133 10.396 1.00 1.00 C ATOM 1147 C ASP A 75 -3.389 -0.729 10.620 1.00 1.00 C ATOM 1148 O ASP A 75 -3.404 -1.647 11.438 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.562 -0.567 9.405 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.896 -1.969 9.905 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -5.650 -2.235 11.070 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -6.399 -2.753 9.120 1.00 1.00 O ATOM 0 H ASP A 75 -3.804 1.419 8.966 1.00 1.00 H new ATOM 0 HA ASP A 75 -5.142 0.269 11.350 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.477 0.012 9.281 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -5.087 -0.625 8.426 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.306 -0.431 9.900 1.00 1.00 N ATOM 1158 CA GLN A 76 -1.068 -1.194 10.051 1.00 1.00 C ATOM 1159 C GLN A 76 0.112 -0.377 9.508 1.00 1.00 C ATOM 1160 O GLN A 76 -0.053 0.792 9.161 1.00 1.00 O ATOM 1161 CB GLN A 76 -1.195 -2.553 9.318 1.00 1.00 C ATOM 1162 CG GLN A 76 -0.801 -3.724 10.237 1.00 1.00 C ATOM 1163 CD GLN A 76 0.705 -3.726 10.482 1.00 1.00 C ATOM 1164 OE1 GLN A 76 1.190 -3.057 11.395 1.00 1.00 O ATOM 1165 NE2 GLN A 76 1.478 -4.445 9.714 1.00 1.00 N ATOM 0 H GLN A 76 -2.261 0.324 9.215 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.887 -1.395 11.107 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -2.220 -2.688 8.973 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.558 -2.552 8.433 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -1.330 -3.643 11.187 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -1.103 -4.668 9.783 1.00 1.00 H new ATOM 0 HE21 GLN A 76 1.074 -4.998 8.958 1.00 1.00 H new ATOM 0 HE22 GLN A 76 2.486 -4.453 9.870 1.00 1.00 H new ATOM 1174 N ILE A 77 1.280 -1.014 9.393 1.00 1.00 N ATOM 1175 CA ILE A 77 2.485 -0.358 8.860 1.00 1.00 C ATOM 1176 C ILE A 77 3.410 -1.413 8.239 1.00 1.00 C ATOM 1177 O ILE A 77 3.975 -2.250 8.942 1.00 1.00 O ATOM 1178 CB ILE A 77 3.237 0.423 9.981 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.460 1.712 10.336 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.682 0.779 9.527 1.00 1.00 C ATOM 1181 CD1 ILE A 77 3.155 2.460 11.482 1.00 1.00 C ATOM 0 H ILE A 77 1.421 -1.988 9.662 1.00 1.00 H new ATOM 0 HA ILE A 77 2.184 0.358 8.095 1.00 1.00 H new ATOM 0 HB ILE A 77 3.300 -0.212 10.864 1.00 1.00 H new ATOM 0 HG12 ILE A 77 2.394 2.357 9.460 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.439 1.461 10.624 1.00 1.00 H new ATOM 0 HG21 ILE A 77 5.190 1.324 10.323 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.230 -0.137 9.307 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.640 1.400 8.632 1.00 1.00 H new ATOM 0 HD11 ILE A 77 2.595 3.365 11.719 1.00 1.00 H new ATOM 0 HD12 ILE A 77 3.197 1.819 12.362 1.00 1.00 H new ATOM 0 HD13 ILE A 77 4.167 2.729 11.180 1.00 1.00 H new ATOM 1193 N VAL A 78 3.572 -1.349 6.913 1.00 1.00 N ATOM 1194 CA VAL A 78 4.444 -2.285 6.186 1.00 1.00 C ATOM 1195 C VAL A 78 5.574 -1.497 5.518 1.00 1.00 C ATOM 1196 O VAL A 78 5.457 -1.104 4.357 1.00 1.00 O ATOM 1197 CB VAL A 78 3.635 -3.027 5.116 1.00 1.00 C ATOM 1198 CG1 VAL A 78 4.508 -4.098 4.450 1.00 1.00 C ATOM 1199 CG2 VAL A 78 2.422 -3.697 5.764 1.00 1.00 C ATOM 0 H VAL A 78 3.112 -0.659 6.319 1.00 1.00 H new ATOM 0 HA VAL A 78 4.861 -3.012 6.884 1.00 1.00 H new ATOM 0 HB VAL A 78 3.302 -2.313 4.363 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.926 -4.621 3.691 1.00 1.00 H new ATOM 0 HG12 VAL A 78 5.372 -3.625 3.983 1.00 1.00 H new ATOM 0 HG13 VAL A 78 4.847 -4.810 5.202 1.00 1.00 H new ATOM 0 HG21 VAL A 78 1.847 -4.224 5.002 1.00 1.00 H new ATOM 0 HG22 VAL A 78 2.759 -4.406 6.520 1.00 1.00 H new ATOM 0 HG23 VAL A 78 1.794 -2.939 6.232 1.00 1.00 H new ATOM 1209 N PRO A 79 6.643 -1.225 6.231 1.00 1.00 N ATOM 1210 CA PRO A 79 7.778 -0.427 5.696 1.00 1.00 C ATOM 1211 C PRO A 79 8.731 -1.255 4.843 1.00 1.00 C ATOM 1212 O PRO A 79 8.952 -2.436 5.107 1.00 1.00 O ATOM 1213 CB PRO A 79 8.457 0.097 6.962 1.00 1.00 C ATOM 1214 CG PRO A 79 8.216 -0.961 7.996 1.00 1.00 C ATOM 1215 CD PRO A 79 6.897 -1.659 7.616 1.00 1.00 C ATOM 0 HA PRO A 79 7.449 0.364 5.022 1.00 1.00 H new ATOM 0 HB2 PRO A 79 9.523 0.256 6.801 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.035 1.054 7.270 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.039 -1.675 8.018 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.148 -0.521 8.991 1.00 1.00 H new ATOM 0 HD2 PRO A 79 6.987 -2.743 7.683 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.085 -1.364 8.281 1.00 1.00 H new ATOM 1223 N LEU A 80 9.282 -0.625 3.811 1.00 1.00 N ATOM 1224 CA LEU A 80 10.194 -1.312 2.915 1.00 1.00 C ATOM 1225 C LEU A 80 11.486 -1.704 3.633 1.00 1.00 C ATOM 1226 O LEU A 80 12.159 -0.877 4.246 1.00 1.00 O ATOM 1227 CB LEU A 80 10.517 -0.403 1.725 1.00 1.00 C ATOM 1228 CG LEU A 80 9.258 -0.192 0.868 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.534 0.904 -0.166 1.00 1.00 C ATOM 1230 CD2 LEU A 80 8.865 -1.501 0.147 1.00 1.00 C ATOM 0 H LEU A 80 9.112 0.354 3.578 1.00 1.00 H new ATOM 0 HA LEU A 80 9.712 -2.225 2.566 1.00 1.00 H new ATOM 0 HB2 LEU A 80 10.890 0.557 2.081 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.308 -0.848 1.121 1.00 1.00 H new ATOM 0 HG LEU A 80 8.433 0.106 1.515 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.645 1.059 -0.778 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.788 1.832 0.346 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.365 0.602 -0.803 1.00 1.00 H new ATOM 0 HD21 LEU A 80 7.972 -1.331 -0.454 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.683 -1.820 -0.500 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.663 -2.277 0.886 1.00 1.00 H new ATOM 1242 N SER A 81 11.801 -2.990 3.540 1.00 1.00 N ATOM 1243 CA SER A 81 13.000 -3.558 4.170 1.00 1.00 C ATOM 1244 C SER A 81 13.776 -4.407 3.170 1.00 1.00 C ATOM 1245 O SER A 81 13.269 -4.745 2.106 1.00 1.00 O ATOM 1246 CB SER A 81 12.597 -4.413 5.371 1.00 1.00 C ATOM 1247 OG SER A 81 11.610 -5.353 4.970 1.00 1.00 O ATOM 0 H SER A 81 11.239 -3.671 3.029 1.00 1.00 H new ATOM 0 HA SER A 81 13.639 -2.741 4.505 1.00 1.00 H new ATOM 0 HB2 SER A 81 13.468 -4.932 5.771 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.209 -3.780 6.169 1.00 1.00 H new ATOM 0 HG SER A 81 11.961 -6.262 5.077 1.00 1.00 H new ATOM 1253 N LYS A 82 15.022 -4.725 3.497 1.00 1.00 N ATOM 1254 CA LYS A 82 15.847 -5.505 2.586 1.00 1.00 C ATOM 1255 C LYS A 82 15.182 -6.834 2.254 1.00 1.00 C ATOM 1256 O LYS A 82 15.178 -7.256 1.099 1.00 1.00 O ATOM 1257 CB LYS A 82 17.221 -5.756 3.205 1.00 1.00 C ATOM 1258 CG LYS A 82 17.979 -4.433 3.299 1.00 1.00 C ATOM 1259 CD LYS A 82 19.363 -4.675 3.902 1.00 1.00 C ATOM 1260 CE LYS A 82 20.157 -3.368 3.889 1.00 1.00 C ATOM 1261 NZ LYS A 82 19.509 -2.386 4.802 1.00 1.00 N ATOM 0 H LYS A 82 15.477 -4.460 4.371 1.00 1.00 H new ATOM 0 HA LYS A 82 15.965 -4.936 1.664 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.112 -6.197 4.196 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.782 -6.468 2.599 1.00 1.00 H new ATOM 0 HG2 LYS A 82 18.076 -3.987 2.309 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.422 -3.726 3.914 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.268 -5.046 4.923 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.891 -5.440 3.333 1.00 1.00 H new ATOM 0 HE2 LYS A 82 21.184 -3.551 4.204 1.00 1.00 H new ATOM 0 HE3 LYS A 82 20.200 -2.966 2.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 20.173 -1.612 5.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 18.657 -2.000 4.348 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 19.244 -2.859 5.689 1.00 1.00 H new ATOM 1275 N ASP A 83 14.629 -7.500 3.260 1.00 1.00 N ATOM 1276 CA ASP A 83 13.978 -8.785 3.032 1.00 1.00 C ATOM 1277 C ASP A 83 12.693 -8.606 2.228 1.00 1.00 C ATOM 1278 O ASP A 83 12.015 -9.579 1.898 1.00 1.00 O ATOM 1279 CB ASP A 83 13.657 -9.443 4.374 1.00 1.00 C ATOM 1280 CG ASP A 83 12.906 -8.459 5.262 1.00 1.00 C ATOM 1281 OD1 ASP A 83 12.211 -7.616 4.719 1.00 1.00 O ATOM 1282 OD2 ASP A 83 13.035 -8.562 6.471 1.00 1.00 O ATOM 0 H ASP A 83 14.617 -7.179 4.228 1.00 1.00 H new ATOM 0 HA ASP A 83 14.656 -9.421 2.464 1.00 1.00 H new ATOM 0 HB2 ASP A 83 13.055 -10.338 4.216 1.00 1.00 H new ATOM 0 HB3 ASP A 83 14.578 -9.760 4.864 1.00 1.00 H new ATOM 1287 N PHE A 84 12.370 -7.357 1.908 1.00 1.00 N ATOM 1288 CA PHE A 84 11.176 -7.057 1.132 1.00 1.00 C ATOM 1289 C PHE A 84 11.405 -7.459 -0.320 1.00 1.00 C ATOM 1290 O PHE A 84 12.501 -7.291 -0.855 1.00 1.00 O ATOM 1291 CB PHE A 84 10.866 -5.560 1.221 1.00 1.00 C ATOM 1292 CG PHE A 84 9.444 -5.286 0.781 1.00 1.00 C ATOM 1293 CD1 PHE A 84 9.107 -5.330 -0.576 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.468 -4.966 1.734 1.00 1.00 C ATOM 1295 CE1 PHE A 84 7.794 -5.059 -0.980 1.00 1.00 C ATOM 1296 CE2 PHE A 84 7.156 -4.692 1.329 1.00 1.00 C ATOM 1297 CZ PHE A 84 6.821 -4.737 -0.029 1.00 1.00 C ATOM 0 H PHE A 84 12.918 -6.539 2.174 1.00 1.00 H new ATOM 0 HA PHE A 84 10.329 -7.616 1.530 1.00 1.00 H new ATOM 0 HB2 PHE A 84 11.009 -5.213 2.244 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.561 -5.001 0.594 1.00 1.00 H new ATOM 0 HD1 PHE A 84 9.859 -5.573 -1.312 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.728 -4.931 2.782 1.00 1.00 H new ATOM 0 HE1 PHE A 84 7.533 -5.099 -2.027 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.404 -4.446 2.064 1.00 1.00 H new ATOM 0 HZ PHE A 84 5.810 -4.523 -0.343 1.00 1.00 H new ATOM 1307 N MET A 85 10.367 -7.972 -0.956 1.00 1.00 N ATOM 1308 CA MET A 85 10.466 -8.379 -2.352 1.00 1.00 C ATOM 1309 C MET A 85 9.080 -8.612 -2.929 1.00 1.00 C ATOM 1310 O MET A 85 8.267 -9.319 -2.335 1.00 1.00 O ATOM 1311 CB MET A 85 11.299 -9.659 -2.479 1.00 1.00 C ATOM 1312 CG MET A 85 11.439 -10.031 -3.958 1.00 1.00 C ATOM 1313 SD MET A 85 12.536 -11.462 -4.123 1.00 1.00 S ATOM 1314 CE MET A 85 12.455 -11.598 -5.926 1.00 1.00 C ATOM 0 H MET A 85 9.450 -8.117 -0.534 1.00 1.00 H new ATOM 0 HA MET A 85 10.957 -7.581 -2.909 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.284 -9.511 -2.035 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.822 -10.472 -1.932 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.460 -10.260 -4.380 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.839 -9.187 -4.520 1.00 1.00 H new ATOM 0 HE1 MET A 85 13.072 -12.434 -6.256 1.00 1.00 H new ATOM 0 HE2 MET A 85 11.422 -11.766 -6.232 1.00 1.00 H new ATOM 0 HE3 MET A 85 12.822 -10.676 -6.377 1.00 1.00 H new ATOM 1324 N LEU A 86 8.812 -8.032 -4.096 1.00 1.00 N ATOM 1325 CA LEU A 86 7.517 -8.204 -4.748 1.00 1.00 C ATOM 1326 C LEU A 86 7.614 -9.365 -5.734 1.00 1.00 C ATOM 1327 O LEU A 86 8.518 -9.395 -6.569 1.00 1.00 O ATOM 1328 CB LEU A 86 7.133 -6.912 -5.500 1.00 1.00 C ATOM 1329 CG LEU A 86 8.406 -6.199 -6.019 1.00 1.00 C ATOM 1330 CD1 LEU A 86 8.085 -5.428 -7.309 1.00 1.00 C ATOM 1331 CD2 LEU A 86 8.934 -5.213 -4.962 1.00 1.00 C ATOM 0 H LEU A 86 9.469 -7.443 -4.607 1.00 1.00 H new ATOM 0 HA LEU A 86 6.753 -8.416 -4.000 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.474 -7.150 -6.335 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.579 -6.247 -4.837 1.00 1.00 H new ATOM 0 HG LEU A 86 9.167 -6.953 -6.221 1.00 1.00 H new ATOM 0 HD11 LEU A 86 8.985 -4.929 -7.668 1.00 1.00 H new ATOM 0 HD12 LEU A 86 7.728 -6.123 -8.069 1.00 1.00 H new ATOM 0 HD13 LEU A 86 7.314 -4.684 -7.106 1.00 1.00 H new ATOM 0 HD21 LEU A 86 9.829 -4.719 -5.340 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.170 -4.466 -4.748 1.00 1.00 H new ATOM 0 HD23 LEU A 86 9.177 -5.755 -4.048 1.00 1.00 H new ATOM 1343 N GLU A 87 6.692 -10.325 -5.634 1.00 1.00 N ATOM 1344 CA GLU A 87 6.705 -11.488 -6.529 1.00 1.00 C ATOM 1345 C GLU A 87 5.402 -11.593 -7.310 1.00 1.00 C ATOM 1346 O GLU A 87 4.319 -11.660 -6.734 1.00 1.00 O ATOM 1347 CB GLU A 87 6.895 -12.768 -5.716 1.00 1.00 C ATOM 1348 CG GLU A 87 8.287 -12.776 -5.087 1.00 1.00 C ATOM 1349 CD GLU A 87 8.447 -14.010 -4.207 1.00 1.00 C ATOM 1350 OE1 GLU A 87 7.522 -14.804 -4.159 1.00 1.00 O ATOM 1351 OE2 GLU A 87 9.493 -14.143 -3.593 1.00 1.00 O ATOM 0 H GLU A 87 5.934 -10.323 -4.951 1.00 1.00 H new ATOM 0 HA GLU A 87 7.530 -11.361 -7.230 1.00 1.00 H new ATOM 0 HB2 GLU A 87 6.134 -12.833 -4.939 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.770 -13.640 -6.358 1.00 1.00 H new ATOM 0 HG2 GLU A 87 9.049 -12.772 -5.867 1.00 1.00 H new ATOM 0 HG3 GLU A 87 8.434 -11.873 -4.494 1.00 1.00 H new ATOM 1358 N GLU A 88 5.527 -11.635 -8.625 1.00 1.00 N ATOM 1359 CA GLU A 88 4.361 -11.766 -9.483 1.00 1.00 C ATOM 1360 C GLU A 88 3.775 -13.163 -9.321 1.00 1.00 C ATOM 1361 O GLU A 88 4.511 -14.128 -9.113 1.00 1.00 O ATOM 1362 CB GLU A 88 4.750 -11.536 -10.945 1.00 1.00 C ATOM 1363 CG GLU A 88 5.145 -10.072 -11.144 1.00 1.00 C ATOM 1364 CD GLU A 88 5.627 -9.854 -12.574 1.00 1.00 C ATOM 1365 OE1 GLU A 88 5.601 -10.804 -13.337 1.00 1.00 O ATOM 1366 OE2 GLU A 88 6.016 -8.740 -12.883 1.00 1.00 O ATOM 0 H GLU A 88 6.417 -11.581 -9.120 1.00 1.00 H new ATOM 0 HA GLU A 88 3.620 -11.020 -9.197 1.00 1.00 H new ATOM 0 HB2 GLU A 88 5.580 -12.188 -11.218 1.00 1.00 H new ATOM 0 HB3 GLU A 88 3.916 -11.791 -11.599 1.00 1.00 H new ATOM 0 HG2 GLU A 88 4.293 -9.425 -10.936 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.932 -9.800 -10.440 1.00 1.00 H new ATOM 1373 N VAL A 89 2.456 -13.277 -9.432 1.00 1.00 N ATOM 1374 CA VAL A 89 1.799 -14.583 -9.312 1.00 1.00 C ATOM 1375 C VAL A 89 1.489 -15.148 -10.692 1.00 1.00 C ATOM 1376 O VAL A 89 1.230 -14.397 -11.632 1.00 1.00 O ATOM 1377 CB VAL A 89 0.502 -14.463 -8.524 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.087 -15.856 -8.302 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.780 -13.799 -7.172 1.00 1.00 C ATOM 0 H VAL A 89 1.824 -12.495 -9.603 1.00 1.00 H new ATOM 0 HA VAL A 89 2.479 -15.253 -8.786 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.208 -13.853 -9.083 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.016 -15.773 -7.738 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.288 -16.324 -9.266 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.623 -16.466 -7.744 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.150 -13.714 -6.610 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.490 -14.404 -6.609 1.00 1.00 H new ATOM 0 HG23 VAL A 89 1.198 -12.805 -7.334 1.00 1.00 H new ATOM 1389 N SER A 90 1.528 -16.475 -10.801 1.00 1.00 N ATOM 1390 CA SER A 90 1.258 -17.159 -12.071 1.00 1.00 C ATOM 1391 C SER A 90 0.189 -16.403 -12.883 1.00 1.00 C ATOM 1392 O SER A 90 -0.929 -16.228 -12.405 1.00 1.00 O ATOM 1393 CB SER A 90 0.759 -18.578 -11.789 1.00 1.00 C ATOM 1394 OG SER A 90 -0.304 -18.524 -10.846 1.00 1.00 O ATOM 0 H SER A 90 1.744 -17.101 -10.026 1.00 1.00 H new ATOM 0 HA SER A 90 2.182 -17.192 -12.649 1.00 1.00 H new ATOM 0 HB2 SER A 90 0.418 -19.046 -12.712 1.00 1.00 H new ATOM 0 HB3 SER A 90 1.573 -19.192 -11.402 1.00 1.00 H new ATOM 0 HG SER A 90 -0.862 -17.739 -11.027 1.00 1.00 H new ATOM 1533 N SER A 100 -6.682 -7.214 -17.181 1.00 1.00 N ATOM 1534 CA SER A 100 -7.931 -7.140 -16.429 1.00 1.00 C ATOM 1535 C SER A 100 -7.880 -8.059 -15.210 1.00 1.00 C ATOM 1536 O SER A 100 -8.652 -9.007 -15.117 1.00 1.00 O ATOM 1537 CB SER A 100 -9.110 -7.530 -17.325 1.00 1.00 C ATOM 1538 OG SER A 100 -8.910 -6.994 -18.626 1.00 1.00 O ATOM 0 HA SER A 100 -8.066 -6.114 -16.087 1.00 1.00 H new ATOM 0 HB2 SER A 100 -9.199 -8.615 -17.376 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.042 -7.153 -16.903 1.00 1.00 H new ATOM 0 HG SER A 100 -7.964 -6.767 -18.744 1.00 1.00 H new ATOM 1544 N ASP A 101 -6.963 -7.753 -14.289 1.00 1.00 N ATOM 1545 CA ASP A 101 -6.778 -8.527 -13.055 1.00 1.00 C ATOM 1546 C ASP A 101 -5.335 -8.374 -12.578 1.00 1.00 C ATOM 1547 O ASP A 101 -4.471 -9.175 -12.939 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.086 -10.030 -13.270 1.00 1.00 C ATOM 1549 CG ASP A 101 -8.552 -10.348 -12.965 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -9.082 -9.775 -12.027 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -9.120 -11.160 -13.676 1.00 1.00 O ATOM 0 H ASP A 101 -6.326 -6.961 -14.376 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.472 -8.143 -12.308 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -6.859 -10.306 -14.300 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.441 -10.631 -12.629 1.00 1.00 H new ATOM 1556 N VAL A 102 -5.071 -7.354 -11.766 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.720 -7.143 -11.262 1.00 1.00 C ATOM 1558 C VAL A 102 -3.460 -8.052 -10.078 1.00 1.00 C ATOM 1559 O VAL A 102 -4.186 -8.005 -9.098 1.00 1.00 O ATOM 1560 CB VAL A 102 -3.539 -5.689 -10.823 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -2.039 -5.379 -10.544 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -4.073 -4.775 -11.927 1.00 1.00 C ATOM 0 H VAL A 102 -5.761 -6.673 -11.448 1.00 1.00 H new ATOM 0 HA VAL A 102 -3.015 -7.371 -12.062 1.00 1.00 H new ATOM 0 HB VAL A 102 -4.091 -5.518 -9.899 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -1.934 -4.340 -10.233 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.673 -6.033 -9.752 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -1.458 -5.547 -11.451 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -3.951 -3.734 -11.628 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -3.519 -4.956 -12.848 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -5.130 -4.983 -12.092 1.00 1.00 H new ATOM 1572 N THR A 103 -2.404 -8.858 -10.167 1.00 1.00 N ATOM 1573 CA THR A 103 -2.052 -9.765 -9.069 1.00 1.00 C ATOM 1574 C THR A 103 -0.661 -9.460 -8.546 1.00 1.00 C ATOM 1575 O THR A 103 0.338 -9.619 -9.247 1.00 1.00 O ATOM 1576 CB THR A 103 -2.124 -11.225 -9.522 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.336 -11.437 -10.233 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.089 -12.145 -8.292 1.00 1.00 C ATOM 0 H THR A 103 -1.783 -8.904 -10.975 1.00 1.00 H new ATOM 0 HA THR A 103 -2.774 -9.611 -8.267 1.00 1.00 H new ATOM 0 HB THR A 103 -1.275 -11.448 -10.168 1.00 1.00 H new ATOM 0 HG1 THR A 103 -4.078 -11.022 -9.745 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.140 -13.185 -8.614 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.163 -11.981 -7.741 1.00 1.00 H new ATOM 0 HG23 THR A 103 -2.939 -11.923 -7.647 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.619 -9.021 -7.297 1.00 1.00 N ATOM 1587 CA VAL A 104 0.628 -8.679 -6.627 1.00 1.00 C ATOM 1588 C VAL A 104 0.707 -9.416 -5.294 1.00 1.00 C ATOM 1589 O VAL A 104 -0.235 -9.386 -4.504 1.00 1.00 O ATOM 1590 CB VAL A 104 0.675 -7.162 -6.396 1.00 1.00 C ATOM 1591 CG1 VAL A 104 1.805 -6.808 -5.427 1.00 1.00 C ATOM 1592 CG2 VAL A 104 0.908 -6.453 -7.731 1.00 1.00 C ATOM 0 H VAL A 104 -1.449 -8.892 -6.718 1.00 1.00 H new ATOM 0 HA VAL A 104 1.476 -8.975 -7.245 1.00 1.00 H new ATOM 0 HB VAL A 104 -0.273 -6.839 -5.966 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.827 -5.729 -5.272 1.00 1.00 H new ATOM 0 HG12 VAL A 104 1.637 -7.308 -4.473 1.00 1.00 H new ATOM 0 HG13 VAL A 104 2.758 -7.134 -5.844 1.00 1.00 H new ATOM 0 HG21 VAL A 104 0.942 -5.376 -7.570 1.00 1.00 H new ATOM 0 HG22 VAL A 104 1.853 -6.786 -8.159 1.00 1.00 H new ATOM 0 HG23 VAL A 104 0.095 -6.692 -8.417 1.00 1.00 H new ATOM 1602 N GLN A 105 1.831 -10.085 -5.055 1.00 1.00 N ATOM 1603 CA GLN A 105 2.028 -10.839 -3.816 1.00 1.00 C ATOM 1604 C GLN A 105 3.240 -10.297 -3.057 1.00 1.00 C ATOM 1605 O GLN A 105 4.364 -10.388 -3.540 1.00 1.00 O ATOM 1606 CB GLN A 105 2.232 -12.315 -4.188 1.00 1.00 C ATOM 1607 CG GLN A 105 2.819 -13.104 -3.018 1.00 1.00 C ATOM 1608 CD GLN A 105 2.061 -12.801 -1.732 1.00 1.00 C ATOM 1609 OE1 GLN A 105 2.542 -12.047 -0.888 1.00 1.00 O ATOM 1610 NE2 GLN A 105 0.895 -13.345 -1.540 1.00 1.00 N ATOM 0 H GLN A 105 2.620 -10.122 -5.701 1.00 1.00 H new ATOM 0 HA GLN A 105 1.159 -10.738 -3.165 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.279 -12.753 -4.484 1.00 1.00 H new ATOM 0 HB3 GLN A 105 2.897 -12.387 -5.049 1.00 1.00 H new ATOM 0 HG2 GLN A 105 2.771 -14.172 -3.232 1.00 1.00 H new ATOM 0 HG3 GLN A 105 3.872 -12.851 -2.894 1.00 1.00 H new ATOM 0 HE21 GLN A 105 0.501 -13.970 -2.244 1.00 1.00 H new ATOM 0 HE22 GLN A 105 0.374 -13.147 -0.686 1.00 1.00 H new ATOM 1619 N LEU A 106 3.002 -9.702 -1.884 1.00 1.00 N ATOM 1620 CA LEU A 106 4.087 -9.124 -1.088 1.00 1.00 C ATOM 1621 C LEU A 106 4.763 -10.190 -0.230 1.00 1.00 C ATOM 1622 O LEU A 106 4.174 -10.710 0.705 1.00 1.00 O ATOM 1623 CB LEU A 106 3.522 -8.042 -0.171 1.00 1.00 C ATOM 1624 CG LEU A 106 2.748 -7.008 -0.995 1.00 1.00 C ATOM 1625 CD1 LEU A 106 2.137 -5.969 -0.050 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.692 -6.316 -1.992 1.00 1.00 C ATOM 0 H LEU A 106 2.075 -9.609 -1.468 1.00 1.00 H new ATOM 0 HA LEU A 106 4.823 -8.700 -1.771 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.865 -8.491 0.573 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.332 -7.554 0.372 1.00 1.00 H new ATOM 0 HG LEU A 106 1.955 -7.507 -1.552 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.585 -5.230 -0.630 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.460 -6.464 0.646 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.931 -5.473 0.508 1.00 1.00 H new ATOM 0 HD21 LEU A 106 3.133 -5.583 -2.573 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.492 -5.814 -1.447 1.00 1.00 H new ATOM 0 HD23 LEU A 106 4.121 -7.060 -2.663 1.00 1.00 H new ATOM 1638 N ASN A 107 5.998 -10.518 -0.585 1.00 1.00 N ATOM 1639 CA ASN A 107 6.747 -11.554 0.140 1.00 1.00 C ATOM 1640 C ASN A 107 7.749 -10.979 1.147 1.00 1.00 C ATOM 1641 O ASN A 107 8.957 -11.151 0.987 1.00 1.00 O ATOM 1642 CB ASN A 107 7.483 -12.447 -0.854 1.00 1.00 C ATOM 1643 CG ASN A 107 6.593 -12.727 -2.056 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.159 -11.729 -2.765 1.00 1.00 O flip ATOM 1645 ND2 ASN A 107 6.285 -13.880 -2.352 1.00 1.00 N flip ATOM 0 H ASN A 107 6.504 -10.091 -1.361 1.00 1.00 H new ATOM 0 HA ASN A 107 6.017 -12.130 0.708 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.405 -11.963 -1.178 1.00 1.00 H new ATOM 0 HB3 ASN A 107 7.766 -13.384 -0.374 1.00 1.00 H new ATOM 0 HD21 ASN A 107 6.629 -14.660 -1.791 1.00 1.00 H new ATOM 0 HD22 ASN A 107 5.686 -14.057 -3.158 1.00 1.00 H new ATOM 1652 N THR A 108 7.249 -10.309 2.191 1.00 1.00 N ATOM 1653 CA THR A 108 8.136 -9.741 3.209 1.00 1.00 C ATOM 1654 C THR A 108 8.579 -10.829 4.198 1.00 1.00 C ATOM 1655 O THR A 108 8.078 -11.951 4.168 1.00 1.00 O ATOM 1656 CB THR A 108 7.424 -8.598 3.969 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.418 -8.038 3.138 1.00 1.00 O ATOM 1658 CG2 THR A 108 8.425 -7.502 4.359 1.00 1.00 C ATOM 0 H THR A 108 6.254 -10.149 2.351 1.00 1.00 H new ATOM 0 HA THR A 108 9.017 -9.337 2.710 1.00 1.00 H new ATOM 0 HB THR A 108 6.978 -9.005 4.876 1.00 1.00 H new ATOM 0 HG1 THR A 108 5.974 -7.304 3.611 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.904 -6.707 4.893 1.00 1.00 H new ATOM 0 HG22 THR A 108 9.196 -7.926 5.002 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.886 -7.094 3.460 1.00 1.00 H new ATOM 1666 N ALA A 109 9.532 -10.480 5.057 1.00 1.00 N ATOM 1667 CA ALA A 109 10.064 -11.426 6.037 1.00 1.00 C ATOM 1668 C ALA A 109 8.970 -11.977 6.960 1.00 1.00 C ATOM 1669 O ALA A 109 8.999 -13.154 7.316 1.00 1.00 O ATOM 1670 CB ALA A 109 11.145 -10.737 6.880 1.00 1.00 C ATOM 0 H ALA A 109 9.952 -9.551 5.096 1.00 1.00 H new ATOM 0 HA ALA A 109 10.489 -12.266 5.488 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.541 -11.442 7.610 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.951 -10.396 6.230 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.712 -9.882 7.399 1.00 1.00 H new ATOM 1676 N GLU A 110 8.018 -11.130 7.356 1.00 1.00 N ATOM 1677 CA GLU A 110 6.936 -11.563 8.252 1.00 1.00 C ATOM 1678 C GLU A 110 5.577 -11.144 7.706 1.00 1.00 C ATOM 1679 O GLU A 110 4.594 -11.101 8.444 1.00 1.00 O ATOM 1680 CB GLU A 110 7.137 -10.939 9.637 1.00 1.00 C ATOM 1681 CG GLU A 110 6.861 -9.431 9.574 1.00 1.00 C ATOM 1682 CD GLU A 110 7.268 -8.774 10.890 1.00 1.00 C ATOM 1683 OE1 GLU A 110 7.588 -9.500 11.817 1.00 1.00 O ATOM 1684 OE2 GLU A 110 7.258 -7.557 10.950 1.00 1.00 O ATOM 0 H GLU A 110 7.971 -10.150 7.076 1.00 1.00 H new ATOM 0 HA GLU A 110 6.964 -12.650 8.323 1.00 1.00 H new ATOM 0 HB2 GLU A 110 6.469 -11.410 10.358 1.00 1.00 H new ATOM 0 HB3 GLU A 110 8.156 -11.117 9.982 1.00 1.00 H new ATOM 0 HG2 GLU A 110 7.415 -8.985 8.748 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.803 -9.254 9.381 1.00 1.00 H new ATOM 1691 N LEU A 111 5.520 -10.841 6.415 1.00 1.00 N ATOM 1692 CA LEU A 111 4.261 -10.431 5.794 1.00 1.00 C ATOM 1693 C LEU A 111 4.102 -11.138 4.459 1.00 1.00 C ATOM 1694 O LEU A 111 4.969 -11.061 3.589 1.00 1.00 O ATOM 1695 CB LEU A 111 4.241 -8.900 5.608 1.00 1.00 C ATOM 1696 CG LEU A 111 2.793 -8.371 5.551 1.00 1.00 C ATOM 1697 CD1 LEU A 111 2.809 -6.838 5.612 1.00 1.00 C ATOM 1698 CD2 LEU A 111 2.104 -8.825 4.251 1.00 1.00 C ATOM 0 H LEU A 111 6.319 -10.870 5.782 1.00 1.00 H new ATOM 0 HA LEU A 111 3.427 -10.708 6.439 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.775 -8.423 6.430 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.766 -8.634 4.690 1.00 1.00 H new ATOM 0 HG LEU A 111 2.238 -8.771 6.400 1.00 1.00 H new ATOM 0 HD11 LEU A 111 1.787 -6.462 5.572 1.00 1.00 H new ATOM 0 HD12 LEU A 111 3.278 -6.516 6.542 1.00 1.00 H new ATOM 0 HD13 LEU A 111 3.373 -6.446 4.766 1.00 1.00 H new ATOM 0 HD21 LEU A 111 1.083 -8.443 4.228 1.00 1.00 H new ATOM 0 HD22 LEU A 111 2.655 -8.440 3.393 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.085 -9.914 4.211 1.00 1.00 H new ATOM 1710 N LYS A 112 2.970 -11.808 4.301 1.00 1.00 N ATOM 1711 CA LYS A 112 2.664 -12.518 3.059 1.00 1.00 C ATOM 1712 C LYS A 112 1.175 -12.447 2.770 1.00 1.00 C ATOM 1713 O LYS A 112 0.368 -13.062 3.468 1.00 1.00 O ATOM 1714 CB LYS A 112 3.111 -13.985 3.140 1.00 1.00 C ATOM 1715 CG LYS A 112 3.245 -14.555 1.722 1.00 1.00 C ATOM 1716 CD LYS A 112 3.814 -15.971 1.782 1.00 1.00 C ATOM 1717 CE LYS A 112 3.974 -16.513 0.359 1.00 1.00 C ATOM 1718 NZ LYS A 112 4.542 -17.891 0.408 1.00 1.00 N ATOM 0 H LYS A 112 2.245 -11.877 5.015 1.00 1.00 H new ATOM 0 HA LYS A 112 3.211 -12.036 2.249 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.063 -14.058 3.665 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.387 -14.566 3.711 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.272 -14.565 1.232 1.00 1.00 H new ATOM 0 HG3 LYS A 112 3.896 -13.917 1.124 1.00 1.00 H new ATOM 0 HD2 LYS A 112 4.777 -15.967 2.292 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.151 -16.617 2.357 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.009 -16.525 -0.147 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.628 -15.860 -0.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 4.650 -18.257 -0.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 5.471 -17.867 0.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 3.902 -18.512 0.943 1.00 1.00 H new ATOM 1732 N LEU A 113 0.817 -11.690 1.739 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.589 -11.527 1.361 1.00 1.00 C ATOM 1734 C LEU A 113 -0.734 -11.369 -0.150 1.00 1.00 C ATOM 1735 O LEU A 113 0.245 -11.130 -0.858 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.180 -10.294 2.058 1.00 1.00 C ATOM 1737 CG LEU A 113 -1.492 -10.593 3.532 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -1.850 -9.278 4.242 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -2.667 -11.593 3.648 1.00 1.00 C ATOM 0 H LEU A 113 1.475 -11.180 1.150 1.00 1.00 H new ATOM 0 HA LEU A 113 -1.128 -12.421 1.673 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.478 -9.463 1.992 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -2.090 -9.983 1.545 1.00 1.00 H new ATOM 0 HG LEU A 113 -0.616 -11.041 4.001 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.073 -9.479 5.290 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -1.009 -8.588 4.176 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.722 -8.832 3.764 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.873 -11.792 4.700 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.554 -11.168 3.179 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -2.403 -12.524 3.147 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.972 -11.486 -0.631 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.265 -11.342 -2.062 1.00 1.00 C ATOM 1753 C VAL A 114 -3.298 -10.231 -2.271 1.00 1.00 C ATOM 1754 O VAL A 114 -4.373 -10.255 -1.673 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.821 -12.665 -2.605 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.332 -12.471 -4.035 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.721 -13.728 -2.599 1.00 1.00 C ATOM 0 H VAL A 114 -2.790 -11.680 -0.053 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.348 -11.085 -2.593 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.645 -12.989 -1.970 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.725 -13.415 -4.412 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.123 -11.721 -4.040 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.513 -12.138 -4.672 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.120 -14.666 -2.985 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.894 -13.399 -3.228 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.365 -13.877 -1.580 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.963 -9.254 -3.122 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.861 -8.129 -3.406 1.00 1.00 C ATOM 1769 C PHE A 115 -4.279 -8.108 -4.876 1.00 1.00 C ATOM 1770 O PHE A 115 -3.458 -8.302 -5.771 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.176 -6.803 -3.057 1.00 1.00 C ATOM 1772 CG PHE A 115 -2.984 -6.720 -1.562 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -1.812 -7.215 -0.986 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -3.984 -6.163 -0.751 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -1.637 -7.164 0.398 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -3.806 -6.110 0.636 1.00 1.00 C ATOM 1777 CZ PHE A 115 -2.634 -6.616 1.212 1.00 1.00 C ATOM 0 H PHE A 115 -2.077 -9.220 -3.626 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.753 -8.256 -2.792 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.213 -6.733 -3.563 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.781 -5.965 -3.405 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -1.040 -7.638 -1.612 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -4.889 -5.776 -1.196 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -0.730 -7.548 0.841 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -4.573 -5.679 1.263 1.00 1.00 H new ATOM 0 HZ PHE A 115 -2.500 -6.583 2.283 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.572 -7.858 -5.107 1.00 1.00 N ATOM 1788 CA GLN A 116 -6.126 -7.792 -6.466 1.00 1.00 C ATOM 1789 C GLN A 116 -6.523 -6.354 -6.805 1.00 1.00 C ATOM 1790 O GLN A 116 -7.660 -5.942 -6.575 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.348 -8.726 -6.595 1.00 1.00 C ATOM 1792 CG GLN A 116 -6.896 -10.135 -6.997 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.447 -10.143 -8.454 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -5.174 -10.124 -8.731 1.00 1.00 O flip ATOM 1795 NE2 GLN A 116 -7.278 -10.146 -9.364 1.00 1.00 N flip ATOM 0 H GLN A 116 -6.257 -7.697 -4.369 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.361 -8.121 -7.169 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.887 -8.765 -5.648 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -8.040 -8.332 -7.339 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -6.078 -10.461 -6.354 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.713 -10.842 -6.856 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -8.274 -10.161 -9.145 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -6.970 -10.134 -10.336 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.572 -5.602 -7.353 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.816 -4.212 -7.725 1.00 1.00 C ATOM 1806 C LEU A 117 -6.515 -4.152 -9.096 1.00 1.00 C ATOM 1807 O LEU A 117 -6.405 -5.092 -9.884 1.00 1.00 O ATOM 1808 CB LEU A 117 -4.473 -3.452 -7.777 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.484 -4.042 -6.761 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -2.197 -3.213 -6.770 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.102 -4.015 -5.355 1.00 1.00 C ATOM 0 H LEU A 117 -4.627 -5.932 -7.549 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.463 -3.745 -6.983 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -4.052 -3.512 -8.781 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.637 -2.396 -7.563 1.00 1.00 H new ATOM 0 HG LEU A 117 -3.259 -5.074 -7.032 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -1.492 -3.628 -6.050 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.755 -3.238 -7.766 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.426 -2.182 -6.500 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.396 -4.435 -4.639 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.331 -2.986 -5.078 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -5.018 -4.605 -5.349 1.00 1.00 H new ATOM 1823 N PRO A 118 -7.221 -3.084 -9.408 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.916 -2.951 -10.722 1.00 1.00 C ATOM 1825 C PRO A 118 -6.946 -2.519 -11.824 1.00 1.00 C ATOM 1826 O PRO A 118 -6.228 -1.533 -11.683 1.00 1.00 O ATOM 1827 CB PRO A 118 -8.972 -1.881 -10.449 1.00 1.00 C ATOM 1828 CG PRO A 118 -8.348 -0.997 -9.422 1.00 1.00 C ATOM 1829 CD PRO A 118 -7.439 -1.895 -8.566 1.00 1.00 C ATOM 0 HA PRO A 118 -8.344 -3.888 -11.078 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -9.218 -1.326 -11.354 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -9.899 -2.322 -10.083 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -7.773 -0.200 -9.894 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -9.110 -0.519 -8.807 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -6.499 -1.398 -8.325 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.913 -2.157 -7.620 1.00 1.00 H new ATOM 1837 N PHE A 119 -6.917 -3.288 -12.901 1.00 1.00 N ATOM 1838 CA PHE A 119 -6.023 -3.041 -14.029 1.00 1.00 C ATOM 1839 C PHE A 119 -6.188 -1.648 -14.618 1.00 1.00 C ATOM 1840 O PHE A 119 -7.298 -1.131 -14.737 1.00 1.00 O ATOM 1841 CB PHE A 119 -6.312 -4.085 -15.104 1.00 1.00 C ATOM 1842 CG PHE A 119 -5.419 -3.866 -16.298 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -4.071 -4.231 -16.232 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -5.939 -3.311 -17.475 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -3.240 -4.042 -17.341 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -5.108 -3.124 -18.586 1.00 1.00 C ATOM 1847 CZ PHE A 119 -3.758 -3.490 -18.518 1.00 1.00 C ATOM 0 H PHE A 119 -7.515 -4.106 -13.021 1.00 1.00 H new ATOM 0 HA PHE A 119 -4.997 -3.111 -13.669 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -6.154 -5.085 -14.701 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -7.357 -4.025 -15.407 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -3.671 -4.659 -15.325 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -6.980 -3.028 -17.525 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -2.198 -4.322 -17.289 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -5.508 -2.698 -19.494 1.00 1.00 H new ATOM 0 HZ PHE A 119 -3.116 -3.346 -19.375 1.00 1.00 H new ATOM 1857 N GLY A 120 -5.058 -1.053 -14.997 1.00 1.00 N ATOM 1858 CA GLY A 120 -5.060 0.279 -15.588 1.00 1.00 C ATOM 1859 C GLY A 120 -3.744 0.995 -15.330 1.00 1.00 C ATOM 1860 O GLY A 120 -2.913 0.528 -14.552 1.00 1.00 O ATOM 0 H GLY A 120 -4.133 -1.473 -14.905 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -5.232 0.203 -16.662 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -5.882 0.863 -15.174 1.00 1.00 H new ATOM 1864 N SER A 121 -3.573 2.145 -15.969 1.00 1.00 N ATOM 1865 CA SER A 121 -2.368 2.932 -15.776 1.00 1.00 C ATOM 1866 C SER A 121 -2.325 3.416 -14.334 1.00 1.00 C ATOM 1867 O SER A 121 -1.277 3.808 -13.823 1.00 1.00 O ATOM 1868 CB SER A 121 -2.362 4.132 -16.725 1.00 1.00 C ATOM 1869 OG SER A 121 -3.463 4.977 -16.419 1.00 1.00 O ATOM 0 H SER A 121 -4.248 2.548 -16.619 1.00 1.00 H new ATOM 0 HA SER A 121 -1.493 2.317 -15.989 1.00 1.00 H new ATOM 0 HB2 SER A 121 -1.427 4.684 -16.627 1.00 1.00 H new ATOM 0 HB3 SER A 121 -2.425 3.793 -17.759 1.00 1.00 H new ATOM 0 HG SER A 121 -3.462 5.748 -17.024 1.00 1.00 H new ATOM 1875 N HIS A 122 -3.489 3.381 -13.687 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.598 3.814 -12.303 1.00 1.00 C ATOM 1877 C HIS A 122 -2.813 2.881 -11.385 1.00 1.00 C ATOM 1878 O HIS A 122 -2.090 3.342 -10.500 1.00 1.00 O ATOM 1879 CB HIS A 122 -5.070 3.835 -11.873 1.00 1.00 C ATOM 1880 CG HIS A 122 -5.195 4.510 -10.533 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -5.155 5.890 -10.397 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -5.363 4.016 -9.262 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -5.298 6.175 -9.090 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -5.429 5.069 -8.354 1.00 1.00 N ATOM 0 H HIS A 122 -4.364 3.058 -14.100 1.00 1.00 H new ATOM 0 HA HIS A 122 -3.182 4.819 -12.225 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.669 4.363 -12.615 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.457 2.818 -11.817 1.00 1.00 H new ATOM 0 HD1 HIS A 122 -5.038 6.566 -11.152 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -5.433 2.969 -9.006 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -5.306 7.176 -8.686 1.00 1.00 H new ATOM 1892 N THR A 123 -2.945 1.568 -11.595 1.00 1.00 N ATOM 1893 CA THR A 123 -2.224 0.603 -10.772 1.00 1.00 C ATOM 1894 C THR A 123 -0.747 0.534 -11.156 1.00 1.00 C ATOM 1895 O THR A 123 0.125 0.452 -10.290 1.00 1.00 O ATOM 1896 CB THR A 123 -2.844 -0.790 -10.907 1.00 1.00 C ATOM 1897 OG1 THR A 123 -4.251 -0.690 -10.746 1.00 1.00 O ATOM 1898 CG2 THR A 123 -2.271 -1.720 -9.829 1.00 1.00 C ATOM 0 H THR A 123 -3.536 1.157 -12.318 1.00 1.00 H new ATOM 0 HA THR A 123 -2.301 0.939 -9.738 1.00 1.00 H new ATOM 0 HB THR A 123 -2.613 -1.198 -11.891 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.697 -1.283 -11.387 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.715 -2.710 -9.929 1.00 1.00 H new ATOM 0 HG22 THR A 123 -1.190 -1.793 -9.949 1.00 1.00 H new ATOM 0 HG23 THR A 123 -2.500 -1.318 -8.842 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.476 0.531 -12.457 1.00 1.00 N ATOM 1907 CA ARG A 124 0.892 0.429 -12.952 1.00 1.00 C ATOM 1908 C ARG A 124 1.761 1.553 -12.401 1.00 1.00 C ATOM 1909 O ARG A 124 2.943 1.354 -12.122 1.00 1.00 O ATOM 1910 CB ARG A 124 0.882 0.473 -14.482 1.00 1.00 C ATOM 1911 CG ARG A 124 2.312 0.418 -15.038 1.00 1.00 C ATOM 1912 CD ARG A 124 3.047 -0.824 -14.510 1.00 1.00 C ATOM 1913 NE ARG A 124 4.142 -1.184 -15.408 1.00 1.00 N ATOM 1914 CZ ARG A 124 5.171 -1.917 -14.984 1.00 1.00 C ATOM 1915 NH1 ARG A 124 5.229 -2.308 -13.740 1.00 1.00 N ATOM 1916 NH2 ARG A 124 6.126 -2.242 -15.811 1.00 1.00 N ATOM 0 H ARG A 124 -1.185 0.598 -13.187 1.00 1.00 H new ATOM 0 HA ARG A 124 1.315 -0.517 -12.614 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.303 -0.365 -14.871 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.390 1.385 -14.821 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.284 0.396 -16.127 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.855 1.319 -14.751 1.00 1.00 H new ATOM 0 HD2 ARG A 124 3.436 -0.628 -13.511 1.00 1.00 H new ATOM 0 HD3 ARG A 124 2.350 -1.658 -14.422 1.00 1.00 H new ATOM 0 HE ARG A 124 4.118 -0.868 -16.378 1.00 1.00 H new ATOM 0 HH11 ARG A 124 4.486 -2.053 -13.090 1.00 1.00 H new ATOM 0 HH12 ARG A 124 6.018 -2.869 -13.418 1.00 1.00 H new ATOM 0 HH21 ARG A 124 6.085 -1.935 -16.783 1.00 1.00 H new ATOM 0 HH22 ARG A 124 6.913 -2.803 -15.486 1.00 1.00 H new ATOM 1930 N THR A 125 1.173 2.726 -12.241 1.00 1.00 N ATOM 1931 CA THR A 125 1.914 3.864 -11.716 1.00 1.00 C ATOM 1932 C THR A 125 2.442 3.539 -10.323 1.00 1.00 C ATOM 1933 O THR A 125 3.590 3.843 -9.997 1.00 1.00 O ATOM 1934 CB THR A 125 1.014 5.101 -11.653 1.00 1.00 C ATOM 1935 OG1 THR A 125 0.584 5.442 -12.964 1.00 1.00 O ATOM 1936 CG2 THR A 125 1.794 6.272 -11.053 1.00 1.00 C ATOM 0 H THR A 125 0.196 2.916 -12.464 1.00 1.00 H new ATOM 0 HA THR A 125 2.753 4.073 -12.380 1.00 1.00 H new ATOM 0 HB THR A 125 0.146 4.885 -11.030 1.00 1.00 H new ATOM 0 HG1 THR A 125 -0.248 4.967 -13.169 1.00 1.00 H new ATOM 0 HG21 THR A 125 1.152 7.152 -11.009 1.00 1.00 H new ATOM 0 HG22 THR A 125 2.124 6.012 -10.047 1.00 1.00 H new ATOM 0 HG23 THR A 125 2.663 6.487 -11.675 1.00 1.00 H new ATOM 1944 N PHE A 126 1.593 2.929 -9.499 1.00 1.00 N ATOM 1945 CA PHE A 126 1.987 2.582 -8.137 1.00 1.00 C ATOM 1946 C PHE A 126 3.227 1.685 -8.139 1.00 1.00 C ATOM 1947 O PHE A 126 4.176 1.934 -7.396 1.00 1.00 O ATOM 1948 CB PHE A 126 0.833 1.862 -7.428 1.00 1.00 C ATOM 1949 CG PHE A 126 1.195 1.605 -5.982 1.00 1.00 C ATOM 1950 CD1 PHE A 126 0.957 2.589 -5.012 1.00 1.00 C ATOM 1951 CD2 PHE A 126 1.768 0.385 -5.607 1.00 1.00 C ATOM 1952 CE1 PHE A 126 1.291 2.351 -3.674 1.00 1.00 C ATOM 1953 CE2 PHE A 126 2.102 0.147 -4.268 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.863 1.130 -3.302 1.00 1.00 C ATOM 0 H PHE A 126 0.639 2.668 -9.747 1.00 1.00 H new ATOM 0 HA PHE A 126 2.226 3.503 -7.605 1.00 1.00 H new ATOM 0 HB2 PHE A 126 -0.072 2.466 -7.483 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.618 0.919 -7.931 1.00 1.00 H new ATOM 0 HD1 PHE A 126 0.515 3.532 -5.298 1.00 1.00 H new ATOM 0 HD2 PHE A 126 1.953 -0.375 -6.352 1.00 1.00 H new ATOM 0 HE1 PHE A 126 1.107 3.110 -2.928 1.00 1.00 H new ATOM 0 HE2 PHE A 126 2.544 -0.796 -3.981 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.120 0.946 -2.269 1.00 1.00 H new ATOM 1964 N LEU A 127 3.207 0.618 -8.943 1.00 1.00 N ATOM 1965 CA LEU A 127 4.329 -0.326 -8.977 1.00 1.00 C ATOM 1966 C LEU A 127 5.655 0.382 -9.216 1.00 1.00 C ATOM 1967 O LEU A 127 6.645 0.093 -8.543 1.00 1.00 O ATOM 1968 CB LEU A 127 4.137 -1.331 -10.121 1.00 1.00 C ATOM 1969 CG LEU A 127 2.736 -1.940 -10.075 1.00 1.00 C ATOM 1970 CD1 LEU A 127 2.568 -2.906 -11.252 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.538 -2.700 -8.757 1.00 1.00 C ATOM 0 H LEU A 127 2.437 0.387 -9.571 1.00 1.00 H new ATOM 0 HA LEU A 127 4.350 -0.826 -8.009 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.292 -0.834 -11.079 1.00 1.00 H new ATOM 0 HB3 LEU A 127 4.885 -2.121 -10.048 1.00 1.00 H new ATOM 0 HG LEU A 127 1.994 -1.144 -10.141 1.00 1.00 H new ATOM 0 HD11 LEU A 127 1.570 -3.343 -11.224 1.00 1.00 H new ATOM 0 HD12 LEU A 127 2.701 -2.365 -12.189 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.313 -3.698 -11.182 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.537 -3.131 -8.732 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.278 -3.497 -8.682 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.658 -2.013 -7.919 1.00 1.00 H new ATOM 1983 N GLN A 128 5.690 1.274 -10.193 1.00 1.00 N ATOM 1984 CA GLN A 128 6.923 1.978 -10.531 1.00 1.00 C ATOM 1985 C GLN A 128 7.427 2.847 -9.386 1.00 1.00 C ATOM 1986 O GLN A 128 8.630 2.921 -9.137 1.00 1.00 O ATOM 1987 CB GLN A 128 6.672 2.840 -11.760 1.00 1.00 C ATOM 1988 CG GLN A 128 6.449 1.920 -12.956 1.00 1.00 C ATOM 1989 CD GLN A 128 5.935 2.721 -14.132 1.00 1.00 C ATOM 1990 OE1 GLN A 128 6.714 3.225 -14.939 1.00 1.00 O ATOM 1991 NE2 GLN A 128 4.654 2.869 -14.266 1.00 1.00 N ATOM 0 H GLN A 128 4.885 1.529 -10.765 1.00 1.00 H new ATOM 0 HA GLN A 128 7.694 1.234 -10.731 1.00 1.00 H new ATOM 0 HB2 GLN A 128 5.802 3.478 -11.605 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.521 3.499 -11.941 1.00 1.00 H new ATOM 0 HG2 GLN A 128 7.382 1.423 -13.223 1.00 1.00 H new ATOM 0 HG3 GLN A 128 5.735 1.139 -12.697 1.00 1.00 H new ATOM 0 HE21 GLN A 128 4.018 2.446 -13.590 1.00 1.00 H new ATOM 0 HE22 GLN A 128 4.282 3.408 -15.048 1.00 1.00 H new ATOM 2000 N GLU A 129 6.511 3.519 -8.702 1.00 1.00 N ATOM 2001 CA GLU A 129 6.896 4.391 -7.603 1.00 1.00 C ATOM 2002 C GLU A 129 7.556 3.593 -6.482 1.00 1.00 C ATOM 2003 O GLU A 129 8.516 4.058 -5.866 1.00 1.00 O ATOM 2004 CB GLU A 129 5.666 5.124 -7.061 1.00 1.00 C ATOM 2005 CG GLU A 129 6.104 6.194 -6.057 1.00 1.00 C ATOM 2006 CD GLU A 129 6.833 7.320 -6.784 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.802 7.330 -8.003 1.00 1.00 O ATOM 2008 OE2 GLU A 129 7.403 8.161 -6.109 1.00 1.00 O ATOM 0 H GLU A 129 5.509 3.478 -8.886 1.00 1.00 H new ATOM 0 HA GLU A 129 7.615 5.119 -7.980 1.00 1.00 H new ATOM 0 HB2 GLU A 129 5.115 5.585 -7.881 1.00 1.00 H new ATOM 0 HB3 GLU A 129 4.991 4.416 -6.581 1.00 1.00 H new ATOM 0 HG2 GLU A 129 5.235 6.591 -5.533 1.00 1.00 H new ATOM 0 HG3 GLU A 129 6.757 5.753 -5.304 1.00 1.00 H new ATOM 2015 N VAL A 130 7.046 2.396 -6.219 1.00 1.00 N ATOM 2016 CA VAL A 130 7.613 1.565 -5.164 1.00 1.00 C ATOM 2017 C VAL A 130 9.060 1.197 -5.496 1.00 1.00 C ATOM 2018 O VAL A 130 9.941 1.284 -4.649 1.00 1.00 O ATOM 2019 CB VAL A 130 6.778 0.289 -4.998 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.472 -0.666 -4.022 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.398 0.656 -4.451 1.00 1.00 C ATOM 0 H VAL A 130 6.254 1.984 -6.712 1.00 1.00 H new ATOM 0 HA VAL A 130 7.599 2.128 -4.231 1.00 1.00 H new ATOM 0 HB VAL A 130 6.674 -0.201 -5.966 1.00 1.00 H new ATOM 0 HG11 VAL A 130 6.873 -1.570 -3.909 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.457 -0.929 -4.409 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.581 -0.180 -3.053 1.00 1.00 H new ATOM 0 HG21 VAL A 130 4.802 -0.249 -4.332 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.509 1.148 -3.485 1.00 1.00 H new ATOM 0 HG23 VAL A 130 4.899 1.331 -5.146 1.00 1.00 H new ATOM 2031 N ALA A 131 9.276 0.765 -6.734 1.00 1.00 N ATOM 2032 CA ALA A 131 10.606 0.350 -7.183 1.00 1.00 C ATOM 2033 C ALA A 131 11.667 1.410 -6.887 1.00 1.00 C ATOM 2034 O ALA A 131 12.775 1.081 -6.463 1.00 1.00 O ATOM 2035 CB ALA A 131 10.580 0.080 -8.688 1.00 1.00 C ATOM 0 H ALA A 131 8.549 0.692 -7.446 1.00 1.00 H new ATOM 0 HA ALA A 131 10.868 -0.555 -6.636 1.00 1.00 H new ATOM 0 HB1 ALA A 131 11.571 -0.229 -9.019 1.00 1.00 H new ATOM 0 HB2 ALA A 131 9.863 -0.712 -8.903 1.00 1.00 H new ATOM 0 HB3 ALA A 131 10.287 0.988 -9.216 1.00 1.00 H new ATOM 2041 N ARG A 132 11.331 2.674 -7.109 1.00 1.00 N ATOM 2042 CA ARG A 132 12.280 3.758 -6.856 1.00 1.00 C ATOM 2043 C ARG A 132 12.363 4.070 -5.364 1.00 1.00 C ATOM 2044 O ARG A 132 13.312 4.703 -4.902 1.00 1.00 O ATOM 2045 CB ARG A 132 11.861 5.011 -7.628 1.00 1.00 C ATOM 2046 CG ARG A 132 11.974 4.741 -9.129 1.00 1.00 C ATOM 2047 CD ARG A 132 11.460 5.950 -9.911 1.00 1.00 C ATOM 2048 NE ARG A 132 12.314 7.107 -9.670 1.00 1.00 N ATOM 2049 CZ ARG A 132 12.005 8.303 -10.160 1.00 1.00 C ATOM 2050 NH1 ARG A 132 10.925 8.454 -10.875 1.00 1.00 N ATOM 2051 NH2 ARG A 132 12.784 9.326 -9.928 1.00 1.00 N ATOM 0 H ARG A 132 10.421 2.975 -7.459 1.00 1.00 H new ATOM 0 HA ARG A 132 13.265 3.438 -7.196 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.837 5.285 -7.372 1.00 1.00 H new ATOM 0 HB3 ARG A 132 12.495 5.853 -7.349 1.00 1.00 H new ATOM 0 HG2 ARG A 132 13.012 4.539 -9.395 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.398 3.854 -9.393 1.00 1.00 H new ATOM 0 HD2 ARG A 132 11.439 5.721 -10.976 1.00 1.00 H new ATOM 0 HD3 ARG A 132 10.436 6.176 -9.613 1.00 1.00 H new ATOM 0 HE ARG A 132 13.163 6.996 -9.116 1.00 1.00 H new ATOM 0 HH11 ARG A 132 10.318 7.655 -11.058 1.00 1.00 H new ATOM 0 HH12 ARG A 132 10.687 9.372 -11.252 1.00 1.00 H new ATOM 0 HH21 ARG A 132 13.630 9.207 -9.371 1.00 1.00 H new ATOM 0 HH22 ARG A 132 12.546 10.244 -10.304 1.00 1.00 H new ATOM 2065 N ALA A 133 11.354 3.629 -4.622 1.00 1.00 N ATOM 2066 CA ALA A 133 11.300 3.873 -3.183 1.00 1.00 C ATOM 2067 C ALA A 133 12.510 3.283 -2.458 1.00 1.00 C ATOM 2068 O ALA A 133 12.835 3.715 -1.353 1.00 1.00 O ATOM 2069 CB ALA A 133 10.018 3.272 -2.604 1.00 1.00 C ATOM 0 H ALA A 133 10.563 3.101 -4.991 1.00 1.00 H new ATOM 0 HA ALA A 133 11.311 4.952 -3.032 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.982 3.457 -1.530 1.00 1.00 H new ATOM 0 HB2 ALA A 133 9.153 3.733 -3.080 1.00 1.00 H new ATOM 0 HB3 ALA A 133 10.004 2.198 -2.788 1.00 1.00 H new ATOM 2075 N CYS A 134 13.188 2.320 -3.087 1.00 1.00 N ATOM 2076 CA CYS A 134 14.378 1.707 -2.476 1.00 1.00 C ATOM 2077 C CYS A 134 14.756 0.378 -3.146 1.00 1.00 C ATOM 2078 O CYS A 134 15.938 0.114 -3.368 1.00 1.00 O ATOM 2079 CB CYS A 134 14.167 1.486 -0.952 1.00 1.00 C ATOM 2080 SG CYS A 134 14.975 2.811 -0.012 1.00 1.00 S ATOM 0 H CYS A 134 12.942 1.950 -4.005 1.00 1.00 H new ATOM 0 HA CYS A 134 15.202 2.404 -2.628 1.00 1.00 H new ATOM 0 HB2 CYS A 134 13.101 1.465 -0.724 1.00 1.00 H new ATOM 0 HB3 CYS A 134 14.575 0.519 -0.657 1.00 1.00 H new ATOM 0 HG CYS A 134 14.386 3.942 -0.263 1.00 1.00 H new ATOM 2086 N PRO A 135 13.803 -0.470 -3.446 1.00 1.00 N ATOM 2087 CA PRO A 135 14.093 -1.797 -4.069 1.00 1.00 C ATOM 2088 C PRO A 135 14.983 -1.683 -5.306 1.00 1.00 C ATOM 2089 O PRO A 135 15.935 -2.449 -5.447 1.00 1.00 O ATOM 2090 CB PRO A 135 12.702 -2.342 -4.427 1.00 1.00 C ATOM 2091 CG PRO A 135 11.767 -1.658 -3.483 1.00 1.00 C ATOM 2092 CD PRO A 135 12.362 -0.270 -3.231 1.00 1.00 C ATOM 0 HA PRO A 135 14.649 -2.450 -3.397 1.00 1.00 H new ATOM 0 HB2 PRO A 135 12.447 -2.123 -5.464 1.00 1.00 H new ATOM 0 HB3 PRO A 135 12.660 -3.425 -4.310 1.00 1.00 H new ATOM 0 HG2 PRO A 135 10.767 -1.582 -3.911 1.00 1.00 H new ATOM 0 HG3 PRO A 135 11.674 -2.217 -2.552 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.953 0.472 -3.916 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.152 0.079 -2.220 1.00 1.00 H new ATOM 2232 N GLU A 145 15.437 2.213 8.438 1.00 1.00 N ATOM 2233 CA GLU A 145 15.605 2.655 9.819 1.00 1.00 C ATOM 2234 C GLU A 145 14.277 2.549 10.567 1.00 1.00 C ATOM 2235 O GLU A 145 14.245 2.174 11.739 1.00 1.00 O ATOM 2236 CB GLU A 145 16.120 4.101 9.881 1.00 1.00 C ATOM 2237 CG GLU A 145 15.115 5.050 9.228 1.00 1.00 C ATOM 2238 CD GLU A 145 15.678 6.468 9.212 1.00 1.00 C ATOM 2239 OE1 GLU A 145 16.864 6.609 8.963 1.00 1.00 O ATOM 2240 OE2 GLU A 145 14.916 7.390 9.450 1.00 1.00 O ATOM 0 HA GLU A 145 16.343 2.008 10.292 1.00 1.00 H new ATOM 0 HB2 GLU A 145 16.284 4.392 10.919 1.00 1.00 H new ATOM 0 HB3 GLU A 145 17.082 4.174 9.374 1.00 1.00 H new ATOM 0 HG2 GLU A 145 14.900 4.723 8.211 1.00 1.00 H new ATOM 0 HG3 GLU A 145 14.173 5.029 9.775 1.00 1.00 H new ATOM 2247 N PHE A 146 13.186 2.885 9.882 1.00 1.00 N ATOM 2248 CA PHE A 146 11.861 2.827 10.492 1.00 1.00 C ATOM 2249 C PHE A 146 11.823 3.689 11.749 1.00 1.00 C ATOM 2250 O PHE A 146 10.839 3.694 12.488 1.00 1.00 O ATOM 2251 CB PHE A 146 11.520 1.375 10.847 1.00 1.00 C ATOM 2252 CG PHE A 146 12.050 0.461 9.765 1.00 1.00 C ATOM 2253 CD1 PHE A 146 11.640 0.642 8.441 1.00 1.00 C ATOM 2254 CD2 PHE A 146 12.950 -0.565 10.083 1.00 1.00 C ATOM 2255 CE1 PHE A 146 12.127 -0.199 7.436 1.00 1.00 C ATOM 2256 CE2 PHE A 146 13.435 -1.406 9.079 1.00 1.00 C ATOM 2257 CZ PHE A 146 13.025 -1.224 7.754 1.00 1.00 C ATOM 0 H PHE A 146 13.193 3.198 8.911 1.00 1.00 H new ATOM 0 HA PHE A 146 11.126 3.207 9.782 1.00 1.00 H new ATOM 0 HB2 PHE A 146 11.958 1.111 11.810 1.00 1.00 H new ATOM 0 HB3 PHE A 146 10.441 1.256 10.944 1.00 1.00 H new ATOM 0 HD1 PHE A 146 10.946 1.432 8.194 1.00 1.00 H new ATOM 0 HD2 PHE A 146 13.269 -0.705 11.105 1.00 1.00 H new ATOM 0 HE1 PHE A 146 11.810 -0.057 6.413 1.00 1.00 H new ATOM 0 HE2 PHE A 146 14.127 -2.197 9.326 1.00 1.00 H new ATOM 0 HZ PHE A 146 13.401 -1.874 6.978 1.00 1.00 H new ATOM 2267 N GLU A 147 12.918 4.395 11.988 1.00 1.00 N ATOM 2268 CA GLU A 147 13.038 5.245 13.168 1.00 1.00 C ATOM 2269 C GLU A 147 12.050 6.410 13.138 1.00 1.00 C ATOM 2270 O GLU A 147 11.491 6.778 14.172 1.00 1.00 O ATOM 2271 CB GLU A 147 14.466 5.786 13.260 1.00 1.00 C ATOM 2272 CG GLU A 147 14.633 6.592 14.549 1.00 1.00 C ATOM 2273 CD GLU A 147 16.078 7.057 14.689 1.00 1.00 C ATOM 2274 OE1 GLU A 147 16.919 6.531 13.979 1.00 1.00 O ATOM 2275 OE2 GLU A 147 16.322 7.931 15.504 1.00 1.00 O ATOM 0 H GLU A 147 13.738 4.398 11.381 1.00 1.00 H new ATOM 0 HA GLU A 147 12.805 4.637 14.043 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.179 4.962 13.241 1.00 1.00 H new ATOM 0 HB3 GLU A 147 14.683 6.415 12.396 1.00 1.00 H new ATOM 0 HG2 GLU A 147 13.965 7.453 14.539 1.00 1.00 H new ATOM 0 HG3 GLU A 147 14.354 5.982 15.408 1.00 1.00 H new ATOM 2282 N TRP A 148 11.848 7.004 11.966 1.00 1.00 N ATOM 2283 CA TRP A 148 10.936 8.138 11.857 1.00 1.00 C ATOM 2284 C TRP A 148 9.487 7.690 11.963 1.00 1.00 C ATOM 2285 O TRP A 148 8.616 8.474 12.322 1.00 1.00 O ATOM 2286 CB TRP A 148 11.153 8.889 10.541 1.00 1.00 C ATOM 2287 CG TRP A 148 10.871 7.998 9.373 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.679 7.004 8.938 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.727 8.021 8.470 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.105 6.420 7.821 1.00 1.00 N ATOM 2291 CE2 TRP A 148 9.899 7.009 7.497 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.567 8.813 8.400 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 8.959 6.793 6.488 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.616 8.597 7.388 1.00 1.00 C ATOM 2295 CH2 TRP A 148 7.811 7.589 6.433 1.00 1.00 C ATOM 0 H TRP A 148 12.295 6.726 11.092 1.00 1.00 H new ATOM 0 HA TRP A 148 11.152 8.812 12.686 1.00 1.00 H new ATOM 0 HB2 TRP A 148 10.503 9.763 10.504 1.00 1.00 H new ATOM 0 HB3 TRP A 148 12.179 9.252 10.488 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.617 6.714 9.388 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.523 5.648 7.301 1.00 1.00 H new ATOM 0 HE3 TRP A 148 8.406 9.593 9.129 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.117 6.016 5.755 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 6.729 9.212 7.346 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.077 7.428 5.657 1.00 1.00 H new ATOM 2306 N LEU A 149 9.232 6.427 11.660 1.00 1.00 N ATOM 2307 CA LEU A 149 7.876 5.909 11.743 1.00 1.00 C ATOM 2308 C LEU A 149 7.409 5.897 13.193 1.00 1.00 C ATOM 2309 O LEU A 149 6.231 6.116 13.471 1.00 1.00 O ATOM 2310 CB LEU A 149 7.793 4.498 11.158 1.00 1.00 C ATOM 2311 CG LEU A 149 8.057 4.542 9.643 1.00 1.00 C ATOM 2312 CD1 LEU A 149 8.196 3.112 9.116 1.00 1.00 C ATOM 2313 CD2 LEU A 149 6.896 5.246 8.909 1.00 1.00 C ATOM 0 H LEU A 149 9.934 5.751 11.359 1.00 1.00 H new ATOM 0 HA LEU A 149 7.226 6.562 11.160 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.522 3.850 11.644 1.00 1.00 H new ATOM 0 HB3 LEU A 149 6.809 4.072 11.352 1.00 1.00 H new ATOM 0 HG LEU A 149 8.975 5.101 9.461 1.00 1.00 H new ATOM 0 HD11 LEU A 149 8.383 3.136 8.042 1.00 1.00 H new ATOM 0 HD12 LEU A 149 9.028 2.618 9.618 1.00 1.00 H new ATOM 0 HD13 LEU A 149 7.276 2.561 9.311 1.00 1.00 H new ATOM 0 HD21 LEU A 149 7.102 5.267 7.839 1.00 1.00 H new ATOM 0 HD22 LEU A 149 5.969 4.703 9.090 1.00 1.00 H new ATOM 0 HD23 LEU A 149 6.797 6.266 9.279 1.00 1.00 H new ATOM 2325 N SER A 150 8.333 5.646 14.119 1.00 1.00 N ATOM 2326 CA SER A 150 7.984 5.616 15.535 1.00 1.00 C ATOM 2327 C SER A 150 7.135 6.828 15.904 1.00 1.00 C ATOM 2328 O SER A 150 6.359 6.780 16.858 1.00 1.00 O ATOM 2329 CB SER A 150 9.256 5.606 16.384 1.00 1.00 C ATOM 2330 OG SER A 150 9.980 6.810 16.164 1.00 1.00 O ATOM 0 H SER A 150 9.316 5.463 13.917 1.00 1.00 H new ATOM 0 HA SER A 150 7.408 4.711 15.729 1.00 1.00 H new ATOM 0 HB2 SER A 150 9.001 5.510 17.439 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.873 4.745 16.125 1.00 1.00 H new ATOM 0 HG SER A 150 10.756 6.626 15.595 1.00 1.00 H new ATOM 2336 N ARG A 151 7.270 7.907 15.139 1.00 1.00 N ATOM 2337 CA ARG A 151 6.483 9.107 15.414 1.00 1.00 C ATOM 2338 C ARG A 151 5.006 8.748 15.318 1.00 1.00 C ATOM 2339 O ARG A 151 4.182 9.227 16.097 1.00 1.00 O ATOM 2340 CB ARG A 151 6.822 10.220 14.402 1.00 1.00 C ATOM 2341 CG ARG A 151 7.992 11.064 14.919 1.00 1.00 C ATOM 2342 CD ARG A 151 9.238 10.187 15.059 1.00 1.00 C ATOM 2343 NE ARG A 151 10.363 10.993 15.512 1.00 1.00 N ATOM 2344 CZ ARG A 151 11.062 11.731 14.659 1.00 1.00 C ATOM 2345 NH1 ARG A 151 10.764 11.713 13.387 1.00 1.00 N ATOM 2346 NH2 ARG A 151 12.048 12.468 15.091 1.00 1.00 N ATOM 0 H ARG A 151 7.901 7.977 14.341 1.00 1.00 H new ATOM 0 HA ARG A 151 6.716 9.476 16.413 1.00 1.00 H new ATOM 0 HB2 ARG A 151 7.079 9.780 13.438 1.00 1.00 H new ATOM 0 HB3 ARG A 151 5.950 10.854 14.241 1.00 1.00 H new ATOM 0 HG2 ARG A 151 8.190 11.887 14.233 1.00 1.00 H new ATOM 0 HG3 ARG A 151 7.737 11.506 15.882 1.00 1.00 H new ATOM 0 HD2 ARG A 151 9.048 9.381 15.768 1.00 1.00 H new ATOM 0 HD3 ARG A 151 9.475 9.721 14.102 1.00 1.00 H new ATOM 0 HE ARG A 151 10.618 10.990 16.500 1.00 1.00 H new ATOM 0 HH11 ARG A 151 9.995 11.132 13.051 1.00 1.00 H new ATOM 0 HH12 ARG A 151 11.300 12.280 12.730 1.00 1.00 H new ATOM 0 HH21 ARG A 151 12.281 12.477 16.084 1.00 1.00 H new ATOM 0 HH22 ARG A 151 12.586 13.035 14.436 1.00 1.00 H new ATOM 2360 N HIS A 152 4.693 7.887 14.360 1.00 1.00 N ATOM 2361 CA HIS A 152 3.326 7.441 14.157 1.00 1.00 C ATOM 2362 C HIS A 152 2.923 6.468 15.262 1.00 1.00 C ATOM 2363 O HIS A 152 3.725 5.643 15.698 1.00 1.00 O ATOM 2364 CB HIS A 152 3.213 6.750 12.797 1.00 1.00 C ATOM 2365 CG HIS A 152 3.795 7.647 11.737 1.00 1.00 C ATOM 2366 ND1 HIS A 152 4.316 7.151 10.552 1.00 1.00 N ATOM 2367 CD2 HIS A 152 3.957 9.008 11.679 1.00 1.00 C ATOM 2368 CE1 HIS A 152 4.763 8.202 9.836 1.00 1.00 C ATOM 2369 NE2 HIS A 152 4.568 9.356 10.478 1.00 1.00 N ATOM 0 H HIS A 152 5.370 7.484 13.712 1.00 1.00 H new ATOM 0 HA HIS A 152 2.660 8.304 14.185 1.00 1.00 H new ATOM 0 HB2 HIS A 152 3.742 5.797 12.815 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.169 6.531 12.572 1.00 1.00 H new ATOM 0 HD2 HIS A 152 3.656 9.704 12.448 1.00 1.00 H new ATOM 0 HE1 HIS A 152 5.223 8.120 8.862 1.00 1.00 H new ATOM 0 HE2 HIS A 152 4.814 10.292 10.157 1.00 1.00 H new ATOM 2377 N THR A 153 1.669 6.558 15.694 1.00 1.00 N ATOM 2378 CA THR A 153 1.141 5.672 16.735 1.00 1.00 C ATOM 2379 C THR A 153 -0.027 4.884 16.167 1.00 1.00 C ATOM 2380 O THR A 153 -0.607 4.031 16.838 1.00 1.00 O ATOM 2381 CB THR A 153 0.686 6.489 17.950 1.00 1.00 C ATOM 2382 OG1 THR A 153 0.187 5.613 18.951 1.00 1.00 O ATOM 2383 CG2 THR A 153 -0.411 7.472 17.541 1.00 1.00 C ATOM 0 H THR A 153 0.995 7.237 15.340 1.00 1.00 H new ATOM 0 HA THR A 153 1.923 4.986 17.059 1.00 1.00 H new ATOM 0 HB THR A 153 1.537 7.047 18.342 1.00 1.00 H new ATOM 0 HG1 THR A 153 -0.078 4.764 18.540 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.727 8.047 18.411 1.00 1.00 H new ATOM 0 HG22 THR A 153 -0.027 8.149 16.778 1.00 1.00 H new ATOM 0 HG23 THR A 153 -1.263 6.921 17.141 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.353 5.190 14.917 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.446 4.530 14.215 1.00 1.00 C ATOM 2393 C CYS A 154 -2.748 4.668 14.995 1.00 1.00 C ATOM 2394 O CYS A 154 -2.743 4.790 16.220 1.00 1.00 O ATOM 2395 CB CYS A 154 -1.105 3.046 13.976 1.00 1.00 C ATOM 2396 SG CYS A 154 -1.633 2.026 15.381 1.00 1.00 S ATOM 0 H CYS A 154 0.130 5.898 14.364 1.00 1.00 H new ATOM 0 HA CYS A 154 -1.581 5.014 13.248 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -1.593 2.699 13.065 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -0.031 2.935 13.824 1.00 1.00 H new ATOM 0 HG CYS A 154 -1.215 2.563 16.489 1.00 1.00 H new