USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 855 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 88 HIS : no HE2:sc= -8.45! C(o=-7.5!,f=-29!) USER MOD Set 1.2: A 106 TYR OH : rot -140:sc= 0.933 USER MOD Set 2.1: A 71 HIS : no HE2:sc= -10.3! C(o=-10!,f=-12!) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 60 SER OG : rot 135:sc= 0.0769! USER MOD Set 3.2: A 72 HIS : no HD1:sc= -3.57! C(o=-3.5!,f=-25!) USER MOD Set 4.1: A 21 ASN : amide:sc= -5.14! C(o=-4!,f=-14!) USER MOD Set 4.2: A 115 TYR OH : rot -8:sc= 1.15 USER MOD Single : A 5 SER OG : rot 21:sc= 0.478 USER MOD Single : A 8 THR OG1 : rot 5:sc= 0.625 USER MOD Single : A 9 GLN : amide:sc= -1.41! C(o=-1.4!,f=-9.7!) USER MOD Single : A 12 ASN : amide:sc= -3.55! K(o=-3.5!,f=-1.4) USER MOD Single : A 16 SER OG : rot 89:sc= 1.05 USER MOD Single : A 17 MET CE :methyl 178:sc= -0.122 (180deg=-0.153) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0.1 (180deg=-0.267) USER MOD Single : A 22 LYS NZ :NH3+ -101:sc= -2.87! (180deg=-6.57!) USER MOD Single : A 26 SER OG : rot 94:sc= 1.22 USER MOD Single : A 29 GLN : amide:sc= 0.0283 X(o=0.028,f=-0.16) USER MOD Single : A 30 CYS SG : rot -100:sc= -3.08! USER MOD Single : A 35 THR OG1 : rot -47:sc= 0.968 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.057) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 145:sc= 1.19 USER MOD Single : A 61 THR OG1 : rot 170:sc= -2.58! USER MOD Single : A 62 LYS NZ :NH3+ 154:sc= -0.287 (180deg=-1.21!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -144:sc= 0.795 (180deg=-0.775!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 74 MET CE :methyl 153:sc= -2.51 (180deg=-6.12!) USER MOD Single : A 77 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-9.9!) USER MOD Single : A 80 SER OG : rot -29:sc= -0.908! USER MOD Single : A 81 LYS NZ :NH3+ -132:sc= -2.8! (180deg=-8.04!) USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= 0.485 (180deg=-0.337) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0556) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.211 USER MOD Single : A 99 GLN : amide:sc= -5.16! C(o=-5.2!,f=-13!) USER MOD Single : A 104 ASN : amide:sc= -2.67! C(o=-2.7!,f=-8.3!) USER MOD Single : A 105 MET CE :methyl 154:sc= -3.4 (180deg=-5.52!) USER MOD Single : A 113 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0626) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= -0.078 (180deg=-0.479) USER MOD Single : A 121 LYS NZ :NH3+ 150:sc= 0.828 (180deg=-0.785!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 2.085 -0.750 16.720 1.00 0.00 N ATOM 43 CA SER A 5 1.028 -0.417 15.785 1.00 0.00 C ATOM 44 C SER A 5 1.613 -0.302 14.388 1.00 0.00 C ATOM 45 O SER A 5 1.161 0.507 13.579 1.00 0.00 O ATOM 46 CB SER A 5 0.362 0.906 16.192 1.00 0.00 C ATOM 47 OG SER A 5 0.247 0.974 17.620 1.00 0.00 O ATOM 0 HA SER A 5 0.272 -1.202 15.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.950 1.747 15.825 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.624 0.983 15.735 1.00 0.00 H new ATOM 0 HG SER A 5 0.885 0.353 18.029 1.00 0.00 H new ATOM 53 N GLY A 6 2.679 -1.056 14.145 1.00 0.00 N ATOM 54 CA GLY A 6 3.420 -0.951 12.899 1.00 0.00 C ATOM 55 C GLY A 6 2.511 -1.141 11.707 1.00 0.00 C ATOM 56 O GLY A 6 2.473 -0.298 10.814 1.00 0.00 O ATOM 0 H GLY A 6 3.048 -1.747 14.798 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.902 0.025 12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.212 -1.700 12.879 1.00 0.00 H new ATOM 60 N ASP A 7 1.700 -2.184 11.732 1.00 0.00 N ATOM 61 CA ASP A 7 0.758 -2.413 10.647 1.00 0.00 C ATOM 62 C ASP A 7 -0.150 -1.214 10.513 1.00 0.00 C ATOM 63 O ASP A 7 -0.366 -0.697 9.422 1.00 0.00 O ATOM 64 CB ASP A 7 -0.109 -3.646 10.948 1.00 0.00 C ATOM 65 CG ASP A 7 -0.749 -3.506 12.314 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.083 -3.788 13.290 1.00 0.00 O ATOM 67 OD2 ASP A 7 -1.900 -3.112 12.370 1.00 0.00 O ATOM 0 H ASP A 7 1.673 -2.878 12.479 1.00 0.00 H new ATOM 0 HA ASP A 7 1.318 -2.574 9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.880 -3.754 10.185 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.502 -4.548 10.914 1.00 0.00 H new ATOM 72 N THR A 8 -0.662 -0.775 11.634 1.00 0.00 N ATOM 73 CA THR A 8 -1.561 0.349 11.684 1.00 0.00 C ATOM 74 C THR A 8 -0.854 1.626 11.229 1.00 0.00 C ATOM 75 O THR A 8 -1.348 2.352 10.352 1.00 0.00 O ATOM 76 CB THR A 8 -2.058 0.499 13.123 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.489 -0.777 13.607 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.223 1.482 13.185 1.00 0.00 C ATOM 0 H THR A 8 -0.465 -1.191 12.544 1.00 0.00 H new ATOM 0 HA THR A 8 -2.402 0.180 11.012 1.00 0.00 H new ATOM 0 HB THR A 8 -1.244 0.879 13.741 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.292 -1.465 12.937 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.564 1.577 14.216 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.897 2.456 12.819 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.041 1.116 12.564 1.00 0.00 H new ATOM 86 N GLN A 9 0.316 1.872 11.796 1.00 0.00 N ATOM 87 CA GLN A 9 1.088 3.048 11.454 1.00 0.00 C ATOM 88 C GLN A 9 1.483 3.001 10.002 1.00 0.00 C ATOM 89 O GLN A 9 1.220 3.934 9.255 1.00 0.00 O ATOM 90 CB GLN A 9 2.353 3.104 12.327 1.00 0.00 C ATOM 91 CG GLN A 9 2.058 3.824 13.647 1.00 0.00 C ATOM 92 CD GLN A 9 2.245 5.328 13.465 1.00 0.00 C ATOM 93 OE1 GLN A 9 3.305 5.872 13.782 1.00 0.00 O ATOM 94 NE2 GLN A 9 1.307 6.029 12.926 1.00 0.00 N ATOM 0 H GLN A 9 0.750 1.270 12.496 1.00 0.00 H new ATOM 0 HA GLN A 9 0.481 3.936 11.631 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.709 2.094 12.528 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.149 3.622 11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.039 3.611 13.969 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.723 3.457 14.429 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.427 5.586 12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.445 7.027 12.764 1.00 0.00 H new ATOM 103 N LEU A 10 2.030 1.887 9.581 1.00 0.00 N ATOM 104 CA LEU A 10 2.418 1.743 8.197 1.00 0.00 C ATOM 105 C LEU A 10 1.204 1.826 7.304 1.00 0.00 C ATOM 106 O LEU A 10 1.222 2.525 6.286 1.00 0.00 O ATOM 107 CB LEU A 10 3.162 0.420 7.973 1.00 0.00 C ATOM 108 CG LEU A 10 4.647 0.550 8.382 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.443 1.197 7.247 1.00 0.00 C ATOM 110 CD2 LEU A 10 4.798 1.400 9.657 1.00 0.00 C ATOM 0 H LEU A 10 2.216 1.074 10.168 1.00 0.00 H new ATOM 0 HA LEU A 10 3.095 2.558 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.688 -0.372 8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.093 0.132 6.924 1.00 0.00 H new ATOM 0 HG LEU A 10 5.031 -0.450 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.489 1.286 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.369 0.579 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.039 2.188 7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.853 1.475 9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.397 2.398 9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.251 0.930 10.474 1.00 0.00 H new ATOM 122 N PHE A 11 0.130 1.159 7.706 1.00 0.00 N ATOM 123 CA PHE A 11 -1.088 1.192 6.926 1.00 0.00 C ATOM 124 C PHE A 11 -1.618 2.602 6.785 1.00 0.00 C ATOM 125 O PHE A 11 -1.861 3.064 5.676 1.00 0.00 O ATOM 126 CB PHE A 11 -2.173 0.314 7.565 1.00 0.00 C ATOM 127 CG PHE A 11 -3.507 0.672 6.946 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.867 0.170 5.691 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.368 1.542 7.625 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.088 0.538 5.125 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.587 1.906 7.060 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.947 1.408 5.809 1.00 0.00 C ATOM 0 H PHE A 11 0.082 0.598 8.556 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.841 0.805 5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.951 -0.741 7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.201 0.471 8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.203 -0.499 5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.085 1.933 8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.372 0.151 4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.252 2.572 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.890 1.693 5.366 1.00 0.00 H new ATOM 142 N ASN A 12 -1.787 3.297 7.901 1.00 0.00 N ATOM 143 CA ASN A 12 -2.353 4.634 7.832 1.00 0.00 C ATOM 144 C ASN A 12 -1.432 5.517 7.066 1.00 0.00 C ATOM 145 O ASN A 12 -1.865 6.314 6.243 1.00 0.00 O ATOM 146 CB ASN A 12 -2.533 5.240 9.210 1.00 0.00 C ATOM 147 CG ASN A 12 -3.540 4.443 10.012 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.671 4.233 9.568 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.192 3.956 11.153 1.00 0.00 N ATOM 0 H ASN A 12 -1.549 2.970 8.837 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.327 4.554 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.577 5.260 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.868 6.273 9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.853 3.395 11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.256 4.131 11.518 1.00 0.00 H new ATOM 156 N ARG A 13 -0.157 5.399 7.362 1.00 0.00 N ATOM 157 CA ARG A 13 0.827 6.223 6.725 1.00 0.00 C ATOM 158 C ARG A 13 0.856 5.907 5.245 1.00 0.00 C ATOM 159 O ARG A 13 0.725 6.793 4.412 1.00 0.00 O ATOM 160 CB ARG A 13 2.183 5.938 7.357 1.00 0.00 C ATOM 161 CG ARG A 13 2.187 6.480 8.799 1.00 0.00 C ATOM 162 CD ARG A 13 3.495 6.085 9.480 1.00 0.00 C ATOM 163 NE ARG A 13 3.512 6.504 10.880 1.00 0.00 N ATOM 164 CZ ARG A 13 3.798 7.743 11.256 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.061 8.655 10.355 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.826 8.038 12.529 1.00 0.00 N ATOM 0 H ARG A 13 0.216 4.737 8.042 1.00 0.00 H new ATOM 0 HA ARG A 13 0.585 7.278 6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.381 4.866 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.976 6.408 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.079 7.565 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.339 6.079 9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.627 5.005 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.334 6.539 8.952 1.00 0.00 H new ATOM 0 HE ARG A 13 3.295 5.814 11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.046 8.413 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.281 9.608 10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.629 7.318 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.045 8.988 12.828 1.00 0.00 H new ATOM 180 N ALA A 14 0.874 4.625 4.919 1.00 0.00 N ATOM 181 CA ALA A 14 0.819 4.209 3.528 1.00 0.00 C ATOM 182 C ALA A 14 -0.493 4.614 2.889 1.00 0.00 C ATOM 183 O ALA A 14 -0.504 5.236 1.826 1.00 0.00 O ATOM 184 CB ALA A 14 1.003 2.696 3.401 1.00 0.00 C ATOM 0 H ALA A 14 0.926 3.861 5.592 1.00 0.00 H new ATOM 0 HA ALA A 14 1.635 4.711 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.958 2.411 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.971 2.411 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.211 2.186 3.950 1.00 0.00 H new ATOM 190 N VAL A 15 -1.603 4.248 3.528 1.00 0.00 N ATOM 191 CA VAL A 15 -2.910 4.538 2.989 1.00 0.00 C ATOM 192 C VAL A 15 -3.135 6.048 2.883 1.00 0.00 C ATOM 193 O VAL A 15 -3.609 6.545 1.865 1.00 0.00 O ATOM 194 CB VAL A 15 -4.023 3.859 3.835 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.531 4.788 4.946 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.194 3.455 2.932 1.00 0.00 C ATOM 0 H VAL A 15 -1.613 3.751 4.419 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.960 4.124 1.982 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.592 2.973 4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.308 4.281 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.705 5.049 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.941 5.696 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.970 2.980 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.603 4.342 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.844 2.756 2.173 1.00 0.00 H new ATOM 206 N SER A 16 -2.740 6.775 3.912 1.00 0.00 N ATOM 207 CA SER A 16 -2.922 8.204 3.925 1.00 0.00 C ATOM 208 C SER A 16 -2.174 8.852 2.773 1.00 0.00 C ATOM 209 O SER A 16 -2.726 9.685 2.053 1.00 0.00 O ATOM 210 CB SER A 16 -2.495 8.773 5.274 1.00 0.00 C ATOM 211 OG SER A 16 -3.327 8.216 6.289 1.00 0.00 O ATOM 0 H SER A 16 -2.292 6.395 4.746 1.00 0.00 H new ATOM 0 HA SER A 16 -3.979 8.430 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.449 8.536 5.470 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.580 9.860 5.270 1.00 0.00 H new ATOM 0 HG SER A 16 -2.935 7.377 6.610 1.00 0.00 H new ATOM 217 N MET A 17 -0.945 8.417 2.545 1.00 0.00 N ATOM 218 CA MET A 17 -0.185 8.966 1.454 1.00 0.00 C ATOM 219 C MET A 17 -0.830 8.637 0.104 1.00 0.00 C ATOM 220 O MET A 17 -0.935 9.491 -0.775 1.00 0.00 O ATOM 221 CB MET A 17 1.276 8.506 1.499 1.00 0.00 C ATOM 222 CG MET A 17 1.927 9.016 2.793 1.00 0.00 C ATOM 223 SD MET A 17 3.720 8.713 2.756 1.00 0.00 S ATOM 224 CE MET A 17 3.697 6.952 3.194 1.00 0.00 C ATOM 0 H MET A 17 -0.468 7.701 3.092 1.00 0.00 H new ATOM 0 HA MET A 17 -0.190 10.050 1.567 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.329 7.418 1.456 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.816 8.886 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.733 10.082 2.910 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.484 8.515 3.654 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.715 6.563 3.190 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.266 6.830 4.188 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.096 6.404 2.468 1.00 0.00 H new ATOM 234 N VAL A 18 -1.281 7.389 -0.062 1.00 0.00 N ATOM 235 CA VAL A 18 -1.925 6.990 -1.312 1.00 0.00 C ATOM 236 C VAL A 18 -3.313 7.600 -1.475 1.00 0.00 C ATOM 237 O VAL A 18 -3.661 8.074 -2.556 1.00 0.00 O ATOM 238 CB VAL A 18 -1.979 5.471 -1.479 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.562 4.905 -1.509 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.747 4.848 -0.320 1.00 0.00 C ATOM 0 H VAL A 18 -1.213 6.652 0.640 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.296 7.389 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.485 5.236 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.605 3.822 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.014 5.340 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.054 5.147 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.781 3.766 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.247 5.088 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.763 5.243 -0.302 1.00 0.00 H new ATOM 250 N GLU A 19 -4.109 7.594 -0.406 1.00 0.00 N ATOM 251 CA GLU A 19 -5.459 8.129 -0.496 1.00 0.00 C ATOM 252 C GLU A 19 -5.379 9.595 -0.864 1.00 0.00 C ATOM 253 O GLU A 19 -6.311 10.151 -1.435 1.00 0.00 O ATOM 254 CB GLU A 19 -6.199 8.036 0.850 1.00 0.00 C ATOM 255 CG GLU A 19 -6.503 6.592 1.279 1.00 0.00 C ATOM 256 CD GLU A 19 -7.180 6.624 2.657 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.364 7.717 3.190 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.520 5.572 3.164 1.00 0.00 O ATOM 0 H GLU A 19 -3.847 7.232 0.511 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.998 7.547 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.598 8.518 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.134 8.592 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.153 6.109 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.583 6.008 1.322 1.00 0.00 H new ATOM 265 N LYS A 20 -4.372 10.267 -0.310 1.00 0.00 N ATOM 266 CA LYS A 20 -4.292 11.711 -0.397 1.00 0.00 C ATOM 267 C LYS A 20 -3.391 12.181 -1.541 1.00 0.00 C ATOM 268 O LYS A 20 -3.387 13.367 -1.872 1.00 0.00 O ATOM 269 CB LYS A 20 -3.835 12.290 0.949 1.00 0.00 C ATOM 270 CG LYS A 20 -4.730 11.725 2.077 1.00 0.00 C ATOM 271 CD LYS A 20 -6.188 12.181 1.897 1.00 0.00 C ATOM 272 CE LYS A 20 -7.115 10.954 1.945 1.00 0.00 C ATOM 273 NZ LYS A 20 -6.912 10.194 3.216 1.00 0.00 N ATOM 0 H LYS A 20 -3.605 9.830 0.201 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.290 12.086 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.792 12.033 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.897 13.378 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.682 10.636 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.357 12.059 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.460 12.887 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.304 12.701 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.154 11.273 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.915 10.306 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.495 9.333 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.910 9.932 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.190 10.788 4.024 1.00 0.00 H new ATOM 287 N ASN A 21 -2.686 11.257 -2.193 1.00 0.00 N ATOM 288 CA ASN A 21 -1.854 11.626 -3.348 1.00 0.00 C ATOM 289 C ASN A 21 -2.742 11.985 -4.531 1.00 0.00 C ATOM 290 O ASN A 21 -3.560 11.180 -4.956 1.00 0.00 O ATOM 291 CB ASN A 21 -0.899 10.493 -3.742 1.00 0.00 C ATOM 292 CG ASN A 21 0.055 10.985 -4.818 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.389 11.423 -5.873 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.335 10.957 -4.616 1.00 0.00 N ATOM 0 H ASN A 21 -2.670 10.266 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.252 12.489 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.338 10.156 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.465 9.636 -4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.972 11.299 -5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.705 10.593 -3.738 1.00 0.00 H new ATOM 301 N LYS A 22 -2.579 13.192 -5.046 1.00 0.00 N ATOM 302 CA LYS A 22 -3.409 13.691 -6.135 1.00 0.00 C ATOM 303 C LYS A 22 -3.388 12.739 -7.310 1.00 0.00 C ATOM 304 O LYS A 22 -4.422 12.486 -7.956 1.00 0.00 O ATOM 305 CB LYS A 22 -2.930 15.092 -6.581 1.00 0.00 C ATOM 306 CG LYS A 22 -1.530 15.027 -7.243 1.00 0.00 C ATOM 307 CD LYS A 22 -0.467 14.622 -6.208 1.00 0.00 C ATOM 308 CE LYS A 22 0.937 14.952 -6.728 1.00 0.00 C ATOM 309 NZ LYS A 22 1.100 14.485 -8.136 1.00 0.00 N ATOM 0 H LYS A 22 -1.872 13.853 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.433 13.767 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.647 15.517 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.896 15.758 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.541 14.309 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.278 15.997 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.646 15.145 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.543 13.555 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.107 16.027 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.686 14.479 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.631 13.591 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.163 14.336 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.619 15.202 -8.682 1.00 0.00 H new ATOM 323 N ASP A 23 -2.206 12.239 -7.609 1.00 0.00 N ATOM 324 CA ASP A 23 -2.036 11.339 -8.715 1.00 0.00 C ATOM 325 C ASP A 23 -2.828 10.085 -8.463 1.00 0.00 C ATOM 326 O ASP A 23 -3.659 9.688 -9.273 1.00 0.00 O ATOM 327 CB ASP A 23 -0.558 10.970 -8.843 1.00 0.00 C ATOM 328 CG ASP A 23 0.271 12.125 -9.349 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.292 13.140 -9.705 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.471 11.989 -9.362 1.00 0.00 O ATOM 0 H ASP A 23 -1.350 12.446 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.381 11.819 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.179 10.649 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.453 10.124 -9.522 1.00 0.00 H new ATOM 335 N ILE A 24 -2.638 9.519 -7.285 1.00 0.00 N ATOM 336 CA ILE A 24 -3.382 8.354 -6.878 1.00 0.00 C ATOM 337 C ILE A 24 -4.856 8.694 -6.754 1.00 0.00 C ATOM 338 O ILE A 24 -5.710 7.974 -7.255 1.00 0.00 O ATOM 339 CB ILE A 24 -2.818 7.734 -5.597 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.417 7.187 -5.889 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.711 6.572 -5.162 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.733 6.784 -4.587 1.00 0.00 C ATOM 0 H ILE A 24 -1.968 9.855 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.277 7.592 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.778 8.488 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.485 6.327 -6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.823 7.942 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.312 6.128 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.720 6.939 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.738 5.819 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.262 6.396 -4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.650 7.654 -3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.322 6.013 -4.090 1.00 0.00 H new ATOM 354 N ARG A 25 -5.144 9.842 -6.161 1.00 0.00 N ATOM 355 CA ARG A 25 -6.522 10.285 -6.046 1.00 0.00 C ATOM 356 C ARG A 25 -7.171 10.306 -7.407 1.00 0.00 C ATOM 357 O ARG A 25 -8.282 9.801 -7.586 1.00 0.00 O ATOM 358 CB ARG A 25 -6.578 11.697 -5.455 1.00 0.00 C ATOM 359 CG ARG A 25 -6.386 11.658 -3.937 1.00 0.00 C ATOM 360 CD ARG A 25 -6.378 13.087 -3.396 1.00 0.00 C ATOM 361 NE ARG A 25 -7.622 13.764 -3.762 1.00 0.00 N ATOM 362 CZ ARG A 25 -7.855 15.036 -3.452 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.992 15.701 -2.742 1.00 0.00 N ATOM 364 NH2 ARG A 25 -8.951 15.606 -3.854 1.00 0.00 N ATOM 0 H ARG A 25 -4.453 10.475 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.051 9.592 -5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.804 12.317 -5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.536 12.158 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.187 11.084 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.450 11.157 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.266 13.074 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.525 13.633 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.335 13.243 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.136 15.247 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.171 16.677 -2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.628 15.078 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.134 16.581 -3.619 1.00 0.00 H new ATOM 378 N SER A 26 -6.463 10.826 -8.368 1.00 0.00 N ATOM 379 CA SER A 26 -6.945 10.834 -9.718 1.00 0.00 C ATOM 380 C SER A 26 -7.146 9.397 -10.203 1.00 0.00 C ATOM 381 O SER A 26 -8.204 9.056 -10.750 1.00 0.00 O ATOM 382 CB SER A 26 -5.968 11.584 -10.592 1.00 0.00 C ATOM 383 OG SER A 26 -5.758 12.893 -10.031 1.00 0.00 O ATOM 0 H SER A 26 -5.545 11.252 -8.240 1.00 0.00 H new ATOM 0 HA SER A 26 -7.908 11.341 -9.770 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.024 11.043 -10.653 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.355 11.666 -11.608 1.00 0.00 H new ATOM 0 HG SER A 26 -4.969 12.877 -9.450 1.00 0.00 H new ATOM 389 N LEU A 27 -6.187 8.528 -9.870 1.00 0.00 N ATOM 390 CA LEU A 27 -6.287 7.101 -10.175 1.00 0.00 C ATOM 391 C LEU A 27 -7.484 6.509 -9.446 1.00 0.00 C ATOM 392 O LEU A 27 -8.218 5.682 -9.986 1.00 0.00 O ATOM 393 CB LEU A 27 -5.010 6.355 -9.744 1.00 0.00 C ATOM 394 CG LEU A 27 -3.805 6.792 -10.594 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.524 6.167 -10.031 1.00 0.00 C ATOM 396 CD2 LEU A 27 -3.990 6.344 -12.051 1.00 0.00 C ATOM 0 H LEU A 27 -5.329 8.792 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.410 6.987 -11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.807 6.551 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.160 5.280 -9.845 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.730 7.879 -10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.672 6.478 -10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.380 6.497 -9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.608 5.081 -10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.130 6.660 -12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.077 5.258 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.895 6.795 -12.458 1.00 0.00 H new ATOM 408 N LEU A 28 -7.677 6.948 -8.210 1.00 0.00 N ATOM 409 CA LEU A 28 -8.784 6.473 -7.391 1.00 0.00 C ATOM 410 C LEU A 28 -10.064 7.198 -7.784 1.00 0.00 C ATOM 411 O LEU A 28 -11.096 7.050 -7.122 1.00 0.00 O ATOM 412 CB LEU A 28 -8.508 6.712 -5.886 1.00 0.00 C ATOM 413 CG LEU A 28 -7.265 5.937 -5.412 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.960 6.320 -3.958 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.511 4.425 -5.492 1.00 0.00 C ATOM 0 H LEU A 28 -7.079 7.635 -7.751 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.893 5.402 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.365 7.777 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.375 6.404 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.423 6.192 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.081 5.775 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.770 7.391 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.813 6.066 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.622 3.893 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.356 4.160 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.730 4.146 -6.523 1.00 0.00 H new ATOM 427 N GLN A 29 -9.976 8.050 -8.805 1.00 0.00 N ATOM 428 CA GLN A 29 -11.121 8.846 -9.219 1.00 0.00 C ATOM 429 C GLN A 29 -11.675 9.551 -7.994 1.00 0.00 C ATOM 430 O GLN A 29 -12.879 9.509 -7.716 1.00 0.00 O ATOM 431 CB GLN A 29 -12.193 7.929 -9.831 1.00 0.00 C ATOM 432 CG GLN A 29 -11.642 7.242 -11.085 1.00 0.00 C ATOM 433 CD GLN A 29 -11.449 8.260 -12.196 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.428 8.799 -12.714 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.253 8.576 -12.580 1.00 0.00 N ATOM 0 H GLN A 29 -9.130 8.203 -9.354 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.824 9.580 -9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.502 7.180 -9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.079 8.511 -10.085 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.693 6.757 -10.856 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.328 6.461 -11.412 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.444 8.128 -12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.120 9.273 -13.313 1.00 0.00 H new ATOM 444 N CYS A 30 -10.755 10.040 -7.176 1.00 0.00 N ATOM 445 CA CYS A 30 -11.079 10.612 -5.894 1.00 0.00 C ATOM 446 C CYS A 30 -11.999 11.813 -6.026 1.00 0.00 C ATOM 447 O CYS A 30 -11.605 12.956 -5.755 1.00 0.00 O ATOM 448 CB CYS A 30 -9.803 10.964 -5.120 1.00 0.00 C ATOM 449 SG CYS A 30 -9.502 9.709 -3.853 1.00 0.00 S ATOM 0 H CYS A 30 -9.758 10.047 -7.392 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.624 9.859 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.954 11.019 -5.802 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.904 11.946 -4.658 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.906 10.151 -2.699 1.00 0.00 H new ATOM 455 N ASP A 31 -13.236 11.540 -6.400 1.00 0.00 N ATOM 456 CA ASP A 31 -14.269 12.565 -6.484 1.00 0.00 C ATOM 457 C ASP A 31 -14.652 13.013 -5.094 1.00 0.00 C ATOM 458 O ASP A 31 -14.152 12.484 -4.106 1.00 0.00 O ATOM 459 CB ASP A 31 -15.543 12.031 -7.176 1.00 0.00 C ATOM 460 CG ASP A 31 -15.406 11.950 -8.686 1.00 0.00 C ATOM 461 OD1 ASP A 31 -14.412 12.404 -9.216 1.00 0.00 O ATOM 462 OD2 ASP A 31 -16.317 11.439 -9.302 1.00 0.00 O ATOM 0 H ASP A 31 -13.556 10.605 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.863 13.392 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.775 11.041 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.384 12.678 -6.927 1.00 0.00 H new ATOM 467 N ASP A 32 -15.611 13.909 -5.042 1.00 0.00 N ATOM 468 CA ASP A 32 -16.243 14.375 -3.808 1.00 0.00 C ATOM 469 C ASP A 32 -17.164 15.522 -4.130 1.00 0.00 C ATOM 470 O ASP A 32 -16.783 16.442 -4.861 1.00 0.00 O ATOM 471 CB ASP A 32 -15.228 14.813 -2.723 1.00 0.00 C ATOM 472 CG ASP A 32 -14.834 13.650 -1.810 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.638 12.759 -1.597 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.732 13.661 -1.315 1.00 0.00 O ATOM 0 H ASP A 32 -15.991 14.353 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.796 13.532 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.336 15.217 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.660 15.615 -2.124 1.00 0.00 H new ATOM 479 N GLY A 33 -18.387 15.443 -3.665 1.00 0.00 N ATOM 480 CA GLY A 33 -19.366 16.492 -3.915 1.00 0.00 C ATOM 481 C GLY A 33 -19.853 16.497 -5.360 1.00 0.00 C ATOM 482 O GLY A 33 -21.021 16.784 -5.624 1.00 0.00 O ATOM 0 H GLY A 33 -18.736 14.663 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.217 16.358 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.925 17.461 -3.679 1.00 0.00 H new ATOM 486 N ILE A 34 -18.975 16.158 -6.297 1.00 0.00 N ATOM 487 CA ILE A 34 -19.352 16.167 -7.707 1.00 0.00 C ATOM 488 C ILE A 34 -20.500 15.196 -7.966 1.00 0.00 C ATOM 489 O ILE A 34 -21.516 15.572 -8.552 1.00 0.00 O ATOM 490 CB ILE A 34 -18.130 15.850 -8.594 1.00 0.00 C ATOM 491 CG1 ILE A 34 -18.500 15.980 -10.076 1.00 0.00 C ATOM 492 CG2 ILE A 34 -17.599 14.441 -8.310 1.00 0.00 C ATOM 493 CD1 ILE A 34 -18.889 17.418 -10.403 1.00 0.00 C ATOM 0 H ILE A 34 -18.012 15.878 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.703 17.166 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.345 16.569 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.657 15.675 -10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -19.327 15.310 -10.311 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.738 14.241 -8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.301 14.369 -7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.380 13.709 -8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.149 17.493 -11.459 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -19.746 17.710 -9.797 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -18.050 18.080 -10.188 1.00 0.00 H new ATOM 505 N THR A 35 -20.413 14.038 -7.360 1.00 0.00 N ATOM 506 CA THR A 35 -21.498 13.077 -7.348 1.00 0.00 C ATOM 507 C THR A 35 -21.706 12.635 -5.908 1.00 0.00 C ATOM 508 O THR A 35 -21.696 11.435 -5.593 1.00 0.00 O ATOM 509 CB THR A 35 -21.179 11.884 -8.294 1.00 0.00 C ATOM 510 OG1 THR A 35 -22.100 10.810 -8.096 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.736 11.396 -8.083 1.00 0.00 C ATOM 0 H THR A 35 -19.582 13.729 -6.856 1.00 0.00 H new ATOM 0 HA THR A 35 -22.420 13.522 -7.721 1.00 0.00 H new ATOM 0 HB THR A 35 -21.282 12.235 -9.321 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.193 10.631 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.532 10.561 -8.754 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.042 12.209 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.609 11.071 -7.050 1.00 0.00 H new ATOM 519 N GLY A 36 -21.711 13.622 -5.018 1.00 0.00 N ATOM 520 CA GLY A 36 -21.704 13.359 -3.596 1.00 0.00 C ATOM 521 C GLY A 36 -20.300 12.971 -3.206 1.00 0.00 C ATOM 522 O GLY A 36 -19.365 13.144 -4.001 1.00 0.00 O ATOM 0 H GLY A 36 -21.720 14.612 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -22.024 14.242 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.403 12.559 -3.352 1.00 0.00 H new ATOM 526 N LYS A 37 -20.134 12.437 -2.023 1.00 0.00 N ATOM 527 CA LYS A 37 -18.834 11.976 -1.599 1.00 0.00 C ATOM 528 C LYS A 37 -18.862 10.471 -1.405 1.00 0.00 C ATOM 529 O LYS A 37 -19.596 9.966 -0.543 1.00 0.00 O ATOM 530 CB LYS A 37 -18.458 12.656 -0.281 1.00 0.00 C ATOM 531 CG LYS A 37 -18.174 14.155 -0.527 1.00 0.00 C ATOM 532 CD LYS A 37 -19.463 14.983 -0.387 1.00 0.00 C ATOM 533 CE LYS A 37 -19.915 15.018 1.078 1.00 0.00 C ATOM 534 NZ LYS A 37 -19.064 15.961 1.849 1.00 0.00 N ATOM 0 H LYS A 37 -20.879 12.310 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.096 12.226 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.267 12.544 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.579 12.176 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.429 14.510 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.754 14.292 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.293 15.998 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.249 14.553 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.959 15.325 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.851 14.020 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.467 16.096 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.103 15.572 1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.025 16.876 1.356 1.00 0.00 H new ATOM 548 N GLU A 38 -18.028 9.766 -2.150 1.00 0.00 N ATOM 549 CA GLU A 38 -17.920 8.318 -2.024 1.00 0.00 C ATOM 550 C GLU A 38 -17.050 7.969 -0.837 1.00 0.00 C ATOM 551 O GLU A 38 -16.283 8.813 -0.349 1.00 0.00 O ATOM 552 CB GLU A 38 -17.318 7.688 -3.286 1.00 0.00 C ATOM 553 CG GLU A 38 -18.212 7.942 -4.503 1.00 0.00 C ATOM 554 CD GLU A 38 -17.874 9.269 -5.164 1.00 0.00 C ATOM 555 OE1 GLU A 38 -17.146 10.041 -4.584 1.00 0.00 O ATOM 556 OE2 GLU A 38 -18.364 9.492 -6.247 1.00 0.00 O ATOM 0 H GLU A 38 -17.411 10.173 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.926 7.922 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.326 8.102 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.194 6.615 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.090 7.132 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -19.258 7.941 -4.196 1.00 0.00 H new ATOM 563 N ARG A 39 -17.134 6.735 -0.393 1.00 0.00 N ATOM 564 CA ARG A 39 -16.342 6.282 0.729 1.00 0.00 C ATOM 565 C ARG A 39 -15.097 5.557 0.220 1.00 0.00 C ATOM 566 O ARG A 39 -15.195 4.663 -0.625 1.00 0.00 O ATOM 567 CB ARG A 39 -17.153 5.321 1.609 1.00 0.00 C ATOM 568 CG ARG A 39 -18.564 5.891 1.865 1.00 0.00 C ATOM 569 CD ARG A 39 -18.483 7.203 2.639 1.00 0.00 C ATOM 570 NE ARG A 39 -18.095 6.969 4.025 1.00 0.00 N ATOM 571 CZ ARG A 39 -18.243 7.914 4.959 1.00 0.00 C ATOM 572 NH1 ARG A 39 -18.737 9.077 4.630 1.00 0.00 N ATOM 573 NH2 ARG A 39 -17.881 7.679 6.184 1.00 0.00 N ATOM 0 H ARG A 39 -17.746 6.024 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.054 7.151 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.229 4.348 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.639 5.164 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -19.074 6.054 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -19.157 5.168 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.761 7.866 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -19.449 7.708 2.608 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.702 6.065 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.008 9.261 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -18.852 9.801 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.484 6.773 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.994 8.400 6.896 1.00 0.00 H new ATOM 587 N LEU A 40 -13.945 5.894 0.780 1.00 0.00 N ATOM 588 CA LEU A 40 -12.717 5.189 0.453 1.00 0.00 C ATOM 589 C LEU A 40 -12.463 4.147 1.520 1.00 0.00 C ATOM 590 O LEU A 40 -12.548 4.452 2.717 1.00 0.00 O ATOM 591 CB LEU A 40 -11.518 6.150 0.392 1.00 0.00 C ATOM 592 CG LEU A 40 -11.696 7.171 -0.743 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.516 8.361 -0.243 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.322 7.670 -1.196 1.00 0.00 C ATOM 0 H LEU A 40 -13.836 6.647 1.459 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.830 4.725 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.415 6.671 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.599 5.584 0.238 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.213 6.695 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.640 9.083 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.495 8.015 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.998 8.835 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.445 8.394 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.812 8.143 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.729 6.828 -1.553 1.00 0.00 H new ATOM 606 N LYS A 41 -12.156 2.927 1.112 1.00 0.00 N ATOM 607 CA LYS A 41 -11.890 1.866 2.075 1.00 0.00 C ATOM 608 C LYS A 41 -10.590 1.189 1.775 1.00 0.00 C ATOM 609 O LYS A 41 -10.158 1.156 0.628 1.00 0.00 O ATOM 610 CB LYS A 41 -12.966 0.805 2.079 1.00 0.00 C ATOM 611 CG LYS A 41 -14.314 1.395 2.468 1.00 0.00 C ATOM 612 CD LYS A 41 -15.284 0.263 2.867 1.00 0.00 C ATOM 613 CE LYS A 41 -14.885 -1.082 2.215 1.00 0.00 C ATOM 614 NZ LYS A 41 -15.710 -2.179 2.792 1.00 0.00 N ATOM 0 H LYS A 41 -12.085 2.646 0.134 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.861 2.351 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.036 0.350 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.697 0.012 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.191 2.091 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.727 1.963 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.292 0.155 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.298 0.528 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.031 -1.032 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.827 -1.281 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.441 -3.083 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.550 -2.231 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.716 -1.990 2.608 1.00 0.00 H new ATOM 628 N ALA A 42 -10.025 0.569 2.788 1.00 0.00 N ATOM 629 CA ALA A 42 -8.820 -0.217 2.633 1.00 0.00 C ATOM 630 C ALA A 42 -8.938 -1.498 3.426 1.00 0.00 C ATOM 631 O ALA A 42 -9.397 -1.485 4.568 1.00 0.00 O ATOM 632 CB ALA A 42 -7.630 0.564 3.129 1.00 0.00 C ATOM 0 H ALA A 42 -10.387 0.595 3.741 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.687 -0.452 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.727 -0.034 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.534 1.485 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.767 0.806 4.183 1.00 0.00 H new ATOM 638 N TYR A 43 -8.506 -2.588 2.838 1.00 0.00 N ATOM 639 CA TYR A 43 -8.550 -3.881 3.495 1.00 0.00 C ATOM 640 C TYR A 43 -7.530 -4.834 2.908 1.00 0.00 C ATOM 641 O TYR A 43 -6.862 -4.518 1.920 1.00 0.00 O ATOM 642 CB TYR A 43 -9.953 -4.488 3.465 1.00 0.00 C ATOM 643 CG TYR A 43 -10.511 -4.433 2.069 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.094 -5.357 1.108 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.461 -3.462 1.740 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.626 -5.313 -0.178 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.989 -3.413 0.454 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.575 -4.338 -0.508 1.00 0.00 C ATOM 649 OH TYR A 43 -12.112 -4.301 -1.778 1.00 0.00 O ATOM 0 H TYR A 43 -8.115 -2.609 1.896 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.290 -3.717 4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.918 -5.521 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.607 -3.946 4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.359 -6.106 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.785 -2.750 2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.307 -6.030 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.719 -2.659 0.199 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.052 -4.027 -1.728 1.00 0.00 H new ATOM 659 N GLY A 44 -7.371 -5.973 3.545 1.00 0.00 N ATOM 660 CA GLY A 44 -6.406 -6.939 3.117 1.00 0.00 C ATOM 661 C GLY A 44 -6.692 -7.404 1.710 1.00 0.00 C ATOM 662 O GLY A 44 -7.844 -7.562 1.312 1.00 0.00 O ATOM 0 H GLY A 44 -7.907 -6.247 4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.407 -6.506 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.416 -7.793 3.795 1.00 0.00 H new ATOM 666 N GLU A 45 -5.629 -7.674 1.003 1.00 0.00 N ATOM 667 CA GLU A 45 -5.642 -8.190 -0.356 1.00 0.00 C ATOM 668 C GLU A 45 -6.943 -8.901 -0.700 1.00 0.00 C ATOM 669 O GLU A 45 -7.237 -9.981 -0.180 1.00 0.00 O ATOM 670 CB GLU A 45 -4.459 -9.128 -0.497 1.00 0.00 C ATOM 671 CG GLU A 45 -3.174 -8.298 -0.365 1.00 0.00 C ATOM 672 CD GLU A 45 -3.063 -7.344 -1.527 1.00 0.00 C ATOM 673 OE1 GLU A 45 -2.816 -7.812 -2.619 1.00 0.00 O ATOM 674 OE2 GLU A 45 -3.279 -6.171 -1.319 1.00 0.00 O ATOM 0 H GLU A 45 -4.685 -7.538 1.366 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.567 -7.358 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.493 -9.902 0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.488 -9.634 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.183 -7.744 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.306 -8.956 -0.338 1.00 0.00 H new ATOM 881 N PRO A 57 -4.047 -9.844 5.911 1.00 0.00 N ATOM 882 CA PRO A 57 -4.867 -8.622 6.102 1.00 0.00 C ATOM 883 C PRO A 57 -3.949 -7.420 6.272 1.00 0.00 C ATOM 884 O PRO A 57 -2.742 -7.566 6.170 1.00 0.00 O ATOM 885 CB PRO A 57 -5.676 -8.901 7.385 1.00 0.00 C ATOM 886 CG PRO A 57 -5.320 -10.302 7.811 1.00 0.00 C ATOM 887 CD PRO A 57 -4.646 -10.981 6.619 1.00 0.00 C ATOM 0 HA PRO A 57 -5.520 -8.400 5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.428 -8.182 8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.746 -8.811 7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.651 -10.284 8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.212 -10.851 8.112 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.895 -11.705 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.363 -11.516 5.996 1.00 0.00 H new ATOM 895 N ILE A 58 -4.505 -6.228 6.451 1.00 0.00 N ATOM 896 CA ILE A 58 -3.659 -5.049 6.572 1.00 0.00 C ATOM 897 C ILE A 58 -2.643 -5.230 7.705 1.00 0.00 C ATOM 898 O ILE A 58 -2.867 -4.796 8.847 1.00 0.00 O ATOM 899 CB ILE A 58 -4.511 -3.787 6.800 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.369 -3.520 5.560 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.602 -2.581 7.044 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.412 -2.453 5.885 1.00 0.00 C ATOM 0 H ILE A 58 -5.508 -6.054 6.514 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.111 -4.923 5.638 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.150 -3.943 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.740 -3.190 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.860 -4.439 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.212 -1.692 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.986 -2.762 7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.959 -2.428 6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.024 -2.262 5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.048 -2.802 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.910 -1.533 6.185 1.00 0.00 H new ATOM 914 N VAL A 59 -1.531 -5.854 7.371 1.00 0.00 N ATOM 915 CA VAL A 59 -0.436 -6.058 8.290 1.00 0.00 C ATOM 916 C VAL A 59 0.873 -5.847 7.553 1.00 0.00 C ATOM 917 O VAL A 59 0.928 -6.015 6.329 1.00 0.00 O ATOM 918 CB VAL A 59 -0.479 -7.485 8.880 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.768 -7.677 9.686 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.435 -8.529 7.746 1.00 0.00 C ATOM 0 H VAL A 59 -1.363 -6.238 6.441 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.521 -5.345 9.110 1.00 0.00 H new ATOM 0 HB VAL A 59 0.385 -7.619 9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.792 -8.685 10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.801 -6.951 10.498 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.630 -7.531 9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.466 -9.531 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.293 -8.388 7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.485 -8.406 7.174 1.00 0.00 H new ATOM 930 N SER A 60 1.941 -5.609 8.287 1.00 0.00 N ATOM 931 CA SER A 60 3.254 -5.564 7.679 1.00 0.00 C ATOM 932 C SER A 60 4.066 -6.738 8.182 1.00 0.00 C ATOM 933 O SER A 60 4.300 -6.851 9.393 1.00 0.00 O ATOM 934 CB SER A 60 3.967 -4.241 7.988 1.00 0.00 C ATOM 935 OG SER A 60 4.252 -4.147 9.385 1.00 0.00 O ATOM 0 H SER A 60 1.927 -5.446 9.294 1.00 0.00 H new ATOM 0 HA SER A 60 3.147 -5.627 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.892 -4.176 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.342 -3.403 7.680 1.00 0.00 H new ATOM 0 HG SER A 60 5.172 -3.835 9.511 1.00 0.00 H new ATOM 941 N THR A 61 4.456 -7.632 7.297 1.00 0.00 N ATOM 942 CA THR A 61 5.182 -8.811 7.733 1.00 0.00 C ATOM 943 C THR A 61 6.546 -8.403 8.267 1.00 0.00 C ATOM 944 O THR A 61 7.235 -7.604 7.635 1.00 0.00 O ATOM 945 CB THR A 61 5.339 -9.807 6.578 1.00 0.00 C ATOM 946 OG1 THR A 61 6.279 -9.302 5.647 1.00 0.00 O ATOM 947 CG2 THR A 61 3.987 -10.007 5.879 1.00 0.00 C ATOM 0 H THR A 61 4.288 -7.570 6.293 1.00 0.00 H new ATOM 0 HA THR A 61 4.617 -9.298 8.528 1.00 0.00 H new ATOM 0 HB THR A 61 5.687 -10.763 6.970 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.502 -10.000 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.103 -10.715 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.262 -10.395 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.635 -9.053 5.487 1.00 0.00 H new ATOM 955 N LYS A 62 6.937 -8.954 9.406 1.00 0.00 N ATOM 956 CA LYS A 62 8.214 -8.633 10.019 1.00 0.00 C ATOM 957 C LYS A 62 9.268 -9.651 9.622 1.00 0.00 C ATOM 958 O LYS A 62 9.262 -10.778 10.128 1.00 0.00 O ATOM 959 CB LYS A 62 8.080 -8.651 11.550 1.00 0.00 C ATOM 960 CG LYS A 62 7.130 -7.554 12.040 1.00 0.00 C ATOM 961 CD LYS A 62 7.845 -6.195 12.007 1.00 0.00 C ATOM 962 CE LYS A 62 7.057 -5.173 12.837 1.00 0.00 C ATOM 963 NZ LYS A 62 6.853 -5.671 14.225 1.00 0.00 N ATOM 0 H LYS A 62 6.381 -9.632 9.928 1.00 0.00 H new ATOM 0 HA LYS A 62 8.512 -7.642 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.712 -9.625 11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.061 -8.515 12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.240 -7.523 11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.796 -7.775 13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.856 -6.296 12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.938 -5.847 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.593 -4.224 12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.092 -4.982 12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.736 -4.864 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.002 -6.267 14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.679 -6.231 14.518 1.00 0.00 H new ATOM 977 N LYS A 63 10.238 -9.223 8.831 1.00 0.00 N ATOM 978 CA LYS A 63 11.375 -10.074 8.522 1.00 0.00 C ATOM 979 C LYS A 63 12.658 -9.352 8.858 1.00 0.00 C ATOM 980 O LYS A 63 12.813 -8.178 8.516 1.00 0.00 O ATOM 981 CB LYS A 63 11.404 -10.469 7.040 1.00 0.00 C ATOM 982 CG LYS A 63 10.132 -11.242 6.669 1.00 0.00 C ATOM 983 CD LYS A 63 10.417 -12.183 5.484 1.00 0.00 C ATOM 984 CE LYS A 63 10.846 -11.387 4.239 1.00 0.00 C ATOM 985 NZ LYS A 63 11.564 -12.287 3.304 1.00 0.00 N ATOM 0 H LYS A 63 10.262 -8.301 8.395 1.00 0.00 H new ATOM 0 HA LYS A 63 11.278 -10.981 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.489 -9.576 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.282 -11.082 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.783 -11.818 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.336 -10.545 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.201 -12.890 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.526 -12.768 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.972 -10.957 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.490 -10.556 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.855 -11.751 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.406 -12.677 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.935 -13.065 3.019 1.00 0.00 H new ATOM 999 N LEU A 64 13.590 -10.047 9.470 1.00 0.00 N ATOM 1000 CA LEU A 64 14.891 -9.474 9.761 1.00 0.00 C ATOM 1001 C LEU A 64 15.958 -10.314 9.086 1.00 0.00 C ATOM 1002 O LEU A 64 16.132 -11.494 9.426 1.00 0.00 O ATOM 1003 CB LEU A 64 15.102 -9.401 11.282 1.00 0.00 C ATOM 1004 CG LEU A 64 16.403 -8.655 11.627 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.379 -7.257 11.018 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.481 -8.505 13.143 1.00 0.00 C ATOM 0 H LEU A 64 13.474 -11.012 9.778 1.00 0.00 H new ATOM 0 HA LEU A 64 14.954 -8.457 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.255 -8.895 11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.137 -10.409 11.696 1.00 0.00 H new ATOM 0 HG LEU A 64 17.255 -9.213 11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.303 -6.736 11.267 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.286 -7.334 9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.530 -6.701 11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.397 -7.978 13.410 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.620 -7.938 13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.482 -9.491 13.607 1.00 0.00 H new ATOM 1018 N ASP A 65 16.580 -9.749 8.057 1.00 0.00 N ATOM 1019 CA ASP A 65 17.518 -10.479 7.222 1.00 0.00 C ATOM 1020 C ASP A 65 18.950 -10.216 7.631 1.00 0.00 C ATOM 1021 O ASP A 65 19.213 -9.421 8.541 1.00 0.00 O ATOM 1022 CB ASP A 65 17.333 -10.069 5.749 1.00 0.00 C ATOM 1023 CG ASP A 65 17.508 -11.259 4.823 1.00 0.00 C ATOM 1024 OD1 ASP A 65 18.081 -12.239 5.238 1.00 0.00 O ATOM 1025 OD2 ASP A 65 17.063 -11.172 3.699 1.00 0.00 O ATOM 0 H ASP A 65 16.447 -8.776 7.782 1.00 0.00 H new ATOM 0 HA ASP A 65 17.314 -11.542 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.341 -9.639 5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.055 -9.294 5.491 1.00 0.00 H new ATOM 1030 N LYS A 66 19.874 -10.751 6.832 1.00 0.00 N ATOM 1031 CA LYS A 66 21.304 -10.497 7.001 1.00 0.00 C ATOM 1032 C LYS A 66 21.558 -8.995 7.089 1.00 0.00 C ATOM 1033 O LYS A 66 22.600 -8.541 7.580 1.00 0.00 O ATOM 1034 CB LYS A 66 22.077 -11.079 5.807 1.00 0.00 C ATOM 1035 CG LYS A 66 21.661 -10.354 4.507 1.00 0.00 C ATOM 1036 CD LYS A 66 20.727 -11.249 3.683 1.00 0.00 C ATOM 1037 CE LYS A 66 19.891 -10.377 2.732 1.00 0.00 C ATOM 1038 NZ LYS A 66 18.876 -11.211 2.050 1.00 0.00 N ATOM 0 H LYS A 66 19.653 -11.370 6.052 1.00 0.00 H new ATOM 0 HA LYS A 66 21.644 -10.973 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 66 23.149 -10.968 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.876 -12.147 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.160 -9.416 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.546 -10.102 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.309 -11.973 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.072 -11.816 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.403 -9.578 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.539 -9.901 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.749 -10.874 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.193 -12.201 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.972 -11.144 2.560 1.00 0.00 H new ATOM 1052 N GLU A 67 20.583 -8.234 6.623 1.00 0.00 N ATOM 1053 CA GLU A 67 20.657 -6.800 6.630 1.00 0.00 C ATOM 1054 C GLU A 67 20.730 -6.286 8.055 1.00 0.00 C ATOM 1055 O GLU A 67 21.376 -5.278 8.330 1.00 0.00 O ATOM 1056 CB GLU A 67 19.433 -6.212 5.933 1.00 0.00 C ATOM 1057 CG GLU A 67 19.499 -6.545 4.444 1.00 0.00 C ATOM 1058 CD GLU A 67 18.268 -6.020 3.737 1.00 0.00 C ATOM 1059 OE1 GLU A 67 17.183 -6.268 4.215 1.00 0.00 O ATOM 1060 OE2 GLU A 67 18.429 -5.369 2.729 1.00 0.00 O ATOM 0 H GLU A 67 19.718 -8.604 6.229 1.00 0.00 H new ATOM 0 HA GLU A 67 21.556 -6.493 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.520 -6.618 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 67 19.401 -5.132 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.395 -6.106 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 67 19.573 -7.624 4.308 1.00 0.00 H new ATOM 1067 N GLY A 68 20.032 -6.952 8.949 1.00 0.00 N ATOM 1068 CA GLY A 68 19.991 -6.510 10.327 1.00 0.00 C ATOM 1069 C GLY A 68 19.049 -5.336 10.446 1.00 0.00 C ATOM 1070 O GLY A 68 19.143 -4.533 11.391 1.00 0.00 O ATOM 0 H GLY A 68 19.490 -7.793 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.660 -7.324 10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.989 -6.225 10.660 1.00 0.00 H new ATOM 1074 N ARG A 69 18.149 -5.236 9.465 1.00 0.00 N ATOM 1075 CA ARG A 69 17.121 -4.205 9.432 1.00 0.00 C ATOM 1076 C ARG A 69 15.783 -4.899 9.217 1.00 0.00 C ATOM 1077 O ARG A 69 15.590 -5.558 8.190 1.00 0.00 O ATOM 1078 CB ARG A 69 17.360 -3.253 8.245 1.00 0.00 C ATOM 1079 CG ARG A 69 18.830 -2.814 8.177 1.00 0.00 C ATOM 1080 CD ARG A 69 19.194 -1.928 9.372 1.00 0.00 C ATOM 1081 NE ARG A 69 20.612 -1.578 9.319 1.00 0.00 N ATOM 1082 CZ ARG A 69 21.539 -2.239 10.014 1.00 0.00 C ATOM 1083 NH1 ARG A 69 21.194 -3.240 10.776 1.00 0.00 N ATOM 1084 NH2 ARG A 69 22.788 -1.884 9.931 1.00 0.00 N ATOM 0 H ARG A 69 18.117 -5.873 8.669 1.00 0.00 H new ATOM 0 HA ARG A 69 17.140 -3.635 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.082 -3.749 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.719 -2.377 8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.475 -3.692 8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 69 19.008 -2.271 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.587 -1.023 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.974 -2.450 10.303 1.00 0.00 H new ATOM 0 HE ARG A 69 20.904 -0.799 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.215 -3.518 10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.904 -3.745 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.057 -1.101 9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 69 23.498 -2.389 10.462 1.00 0.00 H new ATOM 1098 N THR A 70 14.899 -4.814 10.181 1.00 0.00 N ATOM 1099 CA THR A 70 13.621 -5.496 10.081 1.00 0.00 C ATOM 1100 C THR A 70 12.815 -4.956 8.899 1.00 0.00 C ATOM 1101 O THR A 70 12.608 -3.755 8.791 1.00 0.00 O ATOM 1102 CB THR A 70 12.850 -5.345 11.400 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.665 -5.795 12.480 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.542 -6.144 11.351 1.00 0.00 C ATOM 0 H THR A 70 15.035 -4.284 11.042 1.00 0.00 H new ATOM 0 HA THR A 70 13.793 -6.557 9.902 1.00 0.00 H new ATOM 0 HB THR A 70 12.602 -4.294 11.550 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.174 -5.697 13.323 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.008 -6.026 12.294 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.921 -5.776 10.534 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.766 -7.199 11.190 1.00 0.00 H new ATOM 1112 N HIS A 71 12.368 -5.857 8.029 1.00 0.00 N ATOM 1113 CA HIS A 71 11.595 -5.499 6.833 1.00 0.00 C ATOM 1114 C HIS A 71 10.113 -5.632 7.115 1.00 0.00 C ATOM 1115 O HIS A 71 9.663 -6.672 7.603 1.00 0.00 O ATOM 1116 CB HIS A 71 11.965 -6.438 5.669 1.00 0.00 C ATOM 1117 CG HIS A 71 11.720 -5.790 4.309 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.763 -5.461 3.460 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.558 -5.477 3.608 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.227 -4.995 2.312 1.00 0.00 C ATOM 1121 NE2 HIS A 71 10.892 -4.982 2.348 1.00 0.00 N ATOM 0 H HIS A 71 12.529 -6.859 8.129 1.00 0.00 H new ATOM 0 HA HIS A 71 11.827 -4.468 6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.014 -6.721 5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.381 -7.355 5.744 1.00 0.00 H new ATOM 0 HD1 HIS A 71 13.758 -5.554 3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.552 -5.599 3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.810 -4.670 1.463 1.00 0.00 H new ATOM 1130 N HIS A 72 9.365 -4.620 6.733 1.00 0.00 N ATOM 1131 CA HIS A 72 7.917 -4.620 6.820 1.00 0.00 C ATOM 1132 C HIS A 72 7.360 -4.788 5.420 1.00 0.00 C ATOM 1133 O HIS A 72 7.451 -3.858 4.619 1.00 0.00 O ATOM 1134 CB HIS A 72 7.426 -3.251 7.339 1.00 0.00 C ATOM 1135 CG HIS A 72 7.550 -3.135 8.835 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.440 -3.187 9.681 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.632 -2.894 9.645 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.884 -2.977 10.930 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.211 -2.794 10.967 1.00 0.00 N ATOM 0 H HIS A 72 9.750 -3.758 6.346 1.00 0.00 H new ATOM 0 HA HIS A 72 7.595 -5.419 7.487 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.002 -2.456 6.865 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.385 -3.106 7.050 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.653 -2.797 9.308 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.247 -2.958 11.802 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.789 -2.619 11.789 1.00 0.00 H new ATOM 1148 N TYR A 73 6.703 -5.904 5.147 1.00 0.00 N ATOM 1149 CA TYR A 73 6.024 -6.065 3.866 1.00 0.00 C ATOM 1150 C TYR A 73 4.540 -5.902 4.107 1.00 0.00 C ATOM 1151 O TYR A 73 3.965 -6.636 4.911 1.00 0.00 O ATOM 1152 CB TYR A 73 6.271 -7.464 3.271 1.00 0.00 C ATOM 1153 CG TYR A 73 7.738 -7.668 2.964 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.608 -8.138 3.955 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.226 -7.398 1.682 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.961 -8.331 3.661 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.580 -7.590 1.390 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.447 -8.057 2.378 1.00 0.00 C ATOM 1159 OH TYR A 73 11.783 -8.243 2.090 1.00 0.00 O ATOM 0 H TYR A 73 6.624 -6.700 5.780 1.00 0.00 H new ATOM 0 HA TYR A 73 6.406 -5.323 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.932 -8.227 3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.684 -7.585 2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.234 -8.351 4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.555 -7.040 0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.632 -8.692 4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.954 -7.377 0.400 1.00 0.00 H new ATOM 0 HH TYR A 73 11.952 -8.006 1.154 1.00 0.00 H new ATOM 1169 N MET A 74 3.932 -4.916 3.467 1.00 0.00 N ATOM 1170 CA MET A 74 2.515 -4.644 3.659 1.00 0.00 C ATOM 1171 C MET A 74 1.819 -4.469 2.327 1.00 0.00 C ATOM 1172 O MET A 74 2.156 -3.557 1.560 1.00 0.00 O ATOM 1173 CB MET A 74 2.330 -3.379 4.507 1.00 0.00 C ATOM 1174 CG MET A 74 0.839 -3.136 4.770 1.00 0.00 C ATOM 1175 SD MET A 74 0.644 -1.696 5.848 1.00 0.00 S ATOM 1176 CE MET A 74 1.470 -0.484 4.775 1.00 0.00 C ATOM 0 H MET A 74 4.397 -4.290 2.810 1.00 0.00 H new ATOM 0 HA MET A 74 2.072 -5.494 4.178 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.862 -3.484 5.453 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.761 -2.520 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.315 -2.973 3.829 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.393 -4.015 5.235 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.073 0.511 4.977 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.542 -0.494 4.972 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.291 -0.741 3.731 1.00 0.00 H new ATOM 1186 N ARG A 75 0.782 -5.252 2.097 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.034 -5.090 0.909 1.00 0.00 C ATOM 1188 C ARG A 75 -1.486 -5.011 1.316 1.00 0.00 C ATOM 1189 O ARG A 75 -1.937 -5.801 2.156 1.00 0.00 O ATOM 1190 CB ARG A 75 0.165 -6.265 -0.056 1.00 0.00 C ATOM 1191 CG ARG A 75 1.666 -6.549 -0.221 1.00 0.00 C ATOM 1192 CD ARG A 75 1.882 -7.475 -1.420 1.00 0.00 C ATOM 1193 NE ARG A 75 1.958 -6.692 -2.652 1.00 0.00 N ATOM 1194 CZ ARG A 75 1.038 -6.766 -3.619 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.071 -7.432 -3.422 1.00 0.00 N ATOM 1196 NH2 ARG A 75 1.234 -6.126 -4.749 1.00 0.00 N ATOM 0 H ARG A 75 0.485 -6.006 2.717 1.00 0.00 H new ATOM 0 HA ARG A 75 0.265 -4.174 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.343 -7.151 0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.280 -6.033 -1.024 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.210 -5.616 -0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.061 -7.010 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.800 -8.047 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.065 -8.193 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 75 2.749 -6.061 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.235 -7.896 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.771 -7.487 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.083 -5.578 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.537 -6.177 -5.492 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.214 -4.092 0.725 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.621 -3.961 1.011 1.00 0.00 C ATOM 1212 C PHE A 76 -4.392 -3.461 -0.182 1.00 0.00 C ATOM 1213 O PHE A 76 -3.853 -2.770 -1.058 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.887 -3.120 2.281 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.273 -1.728 2.179 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -1.964 -1.515 2.630 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.011 -0.655 1.662 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.396 -0.238 2.562 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.439 0.626 1.603 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.131 0.829 2.050 1.00 0.00 C ATOM 0 H PHE A 76 -1.854 -3.424 0.043 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.993 -4.962 1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.962 -3.032 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.477 -3.635 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.392 -2.338 3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.019 -0.813 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.385 -0.079 2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.010 1.455 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.690 1.813 1.999 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.663 -3.779 -0.192 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.559 -3.372 -1.240 1.00 0.00 C ATOM 1232 C HIS A 77 -7.420 -2.247 -0.747 1.00 0.00 C ATOM 1233 O HIS A 77 -7.831 -2.236 0.425 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.437 -4.546 -1.691 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.776 -5.281 -2.822 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.486 -5.803 -2.735 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.222 -5.598 -4.083 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.216 -6.396 -3.915 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.237 -6.299 -4.769 1.00 0.00 N ATOM 0 H HIS A 77 -6.108 -4.335 0.538 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.973 -3.037 -2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.607 -5.225 -0.856 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.414 -4.179 -2.007 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -4.863 -5.747 -1.929 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.192 -5.341 -4.481 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.284 -6.891 -4.142 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.704 -1.304 -1.613 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.526 -0.189 -1.227 1.00 0.00 C ATOM 1250 C VAL A 78 -9.657 -0.009 -2.200 1.00 0.00 C ATOM 1251 O VAL A 78 -9.517 -0.284 -3.394 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.689 1.110 -1.108 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.358 0.808 -0.421 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.425 1.721 -2.498 1.00 0.00 C ATOM 0 H VAL A 78 -7.380 -1.288 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.946 -0.403 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.253 1.828 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.774 1.725 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.545 0.408 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.804 0.075 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.836 2.632 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.877 1.006 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.375 1.958 -2.977 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.718 0.569 -1.720 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.824 0.899 -2.559 1.00 0.00 C ATOM 1266 C GLU A 79 -11.891 2.380 -2.739 1.00 0.00 C ATOM 1267 O GLU A 79 -11.919 3.142 -1.771 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.122 0.317 -2.016 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.054 -1.211 -2.174 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.290 -1.887 -1.636 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.190 -1.207 -1.218 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.326 -3.090 -1.663 1.00 0.00 O ATOM 0 H GLU A 79 -10.838 0.823 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.678 0.448 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.253 0.587 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.978 0.719 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.932 -1.462 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.176 -1.591 -1.652 1.00 0.00 H new ATOM 1279 N SER A 80 -11.813 2.779 -3.979 1.00 0.00 N ATOM 1280 CA SER A 80 -11.773 4.157 -4.340 1.00 0.00 C ATOM 1281 C SER A 80 -13.177 4.678 -4.441 1.00 0.00 C ATOM 1282 O SER A 80 -14.133 3.982 -4.087 1.00 0.00 O ATOM 1283 CB SER A 80 -11.057 4.315 -5.678 1.00 0.00 C ATOM 1284 OG SER A 80 -11.844 3.722 -6.700 1.00 0.00 O ATOM 0 H SER A 80 -11.775 2.141 -4.774 1.00 0.00 H new ATOM 0 HA SER A 80 -11.231 4.723 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.894 5.371 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.076 3.842 -5.637 1.00 0.00 H new ATOM 0 HG SER A 80 -12.377 2.992 -6.321 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.313 5.875 -4.943 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.617 6.455 -5.080 1.00 0.00 C ATOM 1292 C LYS A 81 -15.421 5.647 -6.081 1.00 0.00 C ATOM 1293 O LYS A 81 -16.639 5.577 -5.988 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.490 7.889 -5.582 1.00 0.00 C ATOM 1295 CG LYS A 81 -13.487 8.673 -4.724 1.00 0.00 C ATOM 1296 CD LYS A 81 -13.926 8.751 -3.259 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.788 9.998 -3.071 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.051 11.026 -2.315 1.00 0.00 N ATOM 0 H LYS A 81 -12.542 6.462 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.118 6.451 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.165 7.889 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.463 8.378 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.508 8.198 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.377 9.681 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.488 7.858 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.055 8.792 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.082 10.394 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.705 9.737 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.654 11.396 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.193 10.606 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.785 11.803 -2.954 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.735 5.095 -7.082 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.411 4.377 -8.153 1.00 0.00 C ATOM 1314 C LYS A 82 -14.938 2.920 -8.242 1.00 0.00 C ATOM 1315 O LYS A 82 -15.673 2.057 -8.733 1.00 0.00 O ATOM 1316 CB LYS A 82 -15.130 5.063 -9.505 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.039 6.597 -9.339 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.375 7.204 -8.925 1.00 0.00 C ATOM 1319 CE LYS A 82 -16.173 8.715 -8.771 1.00 0.00 C ATOM 1320 NZ LYS A 82 -17.458 9.392 -8.492 1.00 0.00 N ATOM 0 H LYS A 82 -13.720 5.133 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.478 4.390 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.198 4.683 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.921 4.816 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.284 6.837 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.712 7.045 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.139 6.995 -9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.720 6.767 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.470 8.912 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.733 9.122 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.397 10.388 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.220 8.921 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.662 9.344 -7.473 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.653 2.694 -7.948 1.00 0.00 N ATOM 1335 CA LYS A 83 -13.023 1.391 -8.201 1.00 0.00 C ATOM 1336 C LYS A 83 -12.350 0.806 -6.965 1.00 0.00 C ATOM 1337 O LYS A 83 -12.218 1.477 -5.942 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.974 1.540 -9.294 1.00 0.00 C ATOM 1339 CG LYS A 83 -12.673 1.920 -10.590 1.00 0.00 C ATOM 1340 CD LYS A 83 -11.654 2.008 -11.708 1.00 0.00 C ATOM 1341 CE LYS A 83 -12.366 2.444 -12.982 1.00 0.00 C ATOM 1342 NZ LYS A 83 -13.108 1.298 -13.560 1.00 0.00 N ATOM 0 H LYS A 83 -13.031 3.391 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.819 0.710 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.247 2.304 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.424 0.607 -9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.434 1.180 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.184 2.876 -10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.870 2.720 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.171 1.042 -11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.053 3.261 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.641 2.821 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.465 1.555 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.473 0.479 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.908 1.055 -12.942 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.816 -0.400 -7.118 1.00 0.00 N ATOM 1357 CA ILE A 84 -11.038 -1.062 -6.075 1.00 0.00 C ATOM 1358 C ILE A 84 -9.572 -1.121 -6.506 1.00 0.00 C ATOM 1359 O ILE A 84 -9.270 -1.484 -7.647 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.589 -2.477 -5.853 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -13.085 -2.384 -5.556 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.882 -3.133 -4.661 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.877 -2.785 -6.796 1.00 0.00 C ATOM 0 H ILE A 84 -11.910 -0.949 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.111 -0.506 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.417 -3.077 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.342 -3.036 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.345 -1.368 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.279 -4.137 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.812 -3.192 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.052 -2.537 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.944 -2.718 -6.583 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.628 -2.115 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.625 -3.809 -7.073 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.676 -0.698 -5.629 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.252 -0.620 -5.956 1.00 0.00 C ATOM 1377 C ALA A 85 -6.403 -1.442 -5.004 1.00 0.00 C ATOM 1378 O ALA A 85 -6.817 -1.738 -3.883 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.774 0.832 -5.933 1.00 0.00 C ATOM 0 H ALA A 85 -8.906 -0.401 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.135 -1.031 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.713 0.870 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.337 1.412 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.931 1.251 -4.939 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.189 -1.724 -5.438 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.198 -2.451 -4.648 1.00 0.00 C ATOM 1387 C LEU A 86 -3.046 -1.545 -4.235 1.00 0.00 C ATOM 1388 O LEU A 86 -2.447 -0.864 -5.079 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.692 -3.673 -5.449 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.306 -4.138 -4.962 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.362 -4.558 -3.502 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.838 -5.326 -5.811 1.00 0.00 C ATOM 0 H LEU A 86 -4.853 -1.453 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.670 -2.803 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.405 -4.492 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.639 -3.418 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.607 -3.308 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.373 -4.883 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.684 -3.714 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.069 -5.379 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.858 -5.655 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.550 -6.145 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.773 -5.023 -6.856 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.725 -1.554 -2.945 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.618 -0.775 -2.417 1.00 0.00 C ATOM 1406 C VAL A 87 -0.619 -1.712 -1.737 1.00 0.00 C ATOM 1407 O VAL A 87 -0.997 -2.535 -0.886 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.143 0.257 -1.401 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.990 1.115 -0.872 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.205 1.154 -2.059 1.00 0.00 C ATOM 0 H VAL A 87 -3.224 -2.099 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.123 -0.248 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.597 -0.276 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.375 1.840 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.255 0.476 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.518 1.641 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.569 1.880 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.764 1.679 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.036 0.540 -2.406 1.00 0.00 H new ATOM 1420 N HIS A 88 0.648 -1.594 -2.098 1.00 0.00 N ATOM 1421 CA HIS A 88 1.686 -2.443 -1.519 1.00 0.00 C ATOM 1422 C HIS A 88 2.866 -1.602 -1.066 1.00 0.00 C ATOM 1423 O HIS A 88 3.412 -0.818 -1.845 1.00 0.00 O ATOM 1424 CB HIS A 88 2.088 -3.533 -2.533 1.00 0.00 C ATOM 1425 CG HIS A 88 3.442 -4.140 -2.233 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.201 -4.732 -3.231 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.188 -4.260 -1.079 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.341 -5.171 -2.673 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.388 -4.914 -1.365 1.00 0.00 N ATOM 0 H HIS A 88 0.986 -0.922 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 88 1.302 -2.946 -0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.334 -4.320 -2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.101 -3.104 -3.535 1.00 0.00 H new ATOM 0 HD1 HIS A 88 3.940 -4.819 -4.213 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.890 -3.903 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.127 -5.673 -3.219 1.00 0.00 H new ATOM 1438 N LEU A 89 3.209 -1.722 0.215 1.00 0.00 N ATOM 1439 CA LEU A 89 4.290 -0.941 0.805 1.00 0.00 C ATOM 1440 C LEU A 89 5.289 -1.830 1.528 1.00 0.00 C ATOM 1441 O LEU A 89 4.907 -2.685 2.340 1.00 0.00 O ATOM 1442 CB LEU A 89 3.730 0.109 1.783 1.00 0.00 C ATOM 1443 CG LEU A 89 4.873 1.018 2.296 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.338 2.422 2.605 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.484 0.422 3.572 1.00 0.00 C ATOM 0 H LEU A 89 2.749 -2.358 0.867 1.00 0.00 H new ATOM 0 HA LEU A 89 4.807 -0.435 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.970 0.712 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.244 -0.387 2.623 1.00 0.00 H new ATOM 0 HG LEU A 89 5.636 1.085 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.152 3.051 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.916 2.858 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.565 2.356 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.288 1.068 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.716 0.343 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.883 -0.569 3.356 1.00 0.00 H new ATOM 1457 N GLU A 90 6.561 -1.533 1.333 1.00 0.00 N ATOM 1458 CA GLU A 90 7.631 -2.163 2.083 1.00 0.00 C ATOM 1459 C GLU A 90 8.420 -1.134 2.858 1.00 0.00 C ATOM 1460 O GLU A 90 8.815 -0.097 2.315 1.00 0.00 O ATOM 1461 CB GLU A 90 8.560 -2.957 1.173 1.00 0.00 C ATOM 1462 CG GLU A 90 7.841 -4.220 0.702 1.00 0.00 C ATOM 1463 CD GLU A 90 8.666 -4.967 -0.327 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.865 -4.753 -0.374 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.092 -5.766 -1.040 1.00 0.00 O ATOM 0 H GLU A 90 6.881 -0.847 0.649 1.00 0.00 H new ATOM 0 HA GLU A 90 7.170 -2.857 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.855 -2.351 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.473 -3.221 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.644 -4.869 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.875 -3.954 0.274 1.00 0.00 H new ATOM 1472 N ALA A 91 8.680 -1.433 4.112 1.00 0.00 N ATOM 1473 CA ALA A 91 9.451 -0.543 4.958 1.00 0.00 C ATOM 1474 C ALA A 91 10.358 -1.342 5.848 1.00 0.00 C ATOM 1475 O ALA A 91 10.091 -2.502 6.104 1.00 0.00 O ATOM 1476 CB ALA A 91 8.535 0.361 5.795 1.00 0.00 C ATOM 0 H ALA A 91 8.368 -2.289 4.571 1.00 0.00 H new ATOM 0 HA ALA A 91 10.056 0.100 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.142 1.017 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.914 0.964 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.897 -0.255 6.429 1.00 0.00 H new ATOM 1482 N LYS A 92 11.434 -0.736 6.315 1.00 0.00 N ATOM 1483 CA LYS A 92 12.340 -1.455 7.200 1.00 0.00 C ATOM 1484 C LYS A 92 12.646 -0.672 8.451 1.00 0.00 C ATOM 1485 O LYS A 92 12.929 0.526 8.390 1.00 0.00 O ATOM 1486 CB LYS A 92 13.642 -1.836 6.496 1.00 0.00 C ATOM 1487 CG LYS A 92 14.353 -0.580 5.977 1.00 0.00 C ATOM 1488 CD LYS A 92 15.637 -0.996 5.264 1.00 0.00 C ATOM 1489 CE LYS A 92 16.366 0.238 4.733 1.00 0.00 C ATOM 1490 NZ LYS A 92 17.614 -0.190 4.046 1.00 0.00 N ATOM 0 H LYS A 92 11.700 0.226 6.106 1.00 0.00 H new ATOM 0 HA LYS A 92 11.821 -2.370 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.293 -2.372 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.431 -2.512 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.703 -0.034 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.582 0.092 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.283 -1.542 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.403 -1.672 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.725 0.784 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.602 0.917 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.114 0.646 3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.226 -0.694 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.376 -0.822 3.255 1.00 0.00 H new ATOM 1504 N GLU A 93 12.714 -1.361 9.572 1.00 0.00 N ATOM 1505 CA GLU A 93 13.122 -0.716 10.796 1.00 0.00 C ATOM 1506 C GLU A 93 14.634 -0.709 10.822 1.00 0.00 C ATOM 1507 O GLU A 93 15.261 -1.776 10.799 1.00 0.00 O ATOM 1508 CB GLU A 93 12.591 -1.474 12.021 1.00 0.00 C ATOM 1509 CG GLU A 93 11.059 -1.583 11.947 1.00 0.00 C ATOM 1510 CD GLU A 93 10.506 -2.247 13.193 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.208 -2.315 14.183 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.370 -2.655 13.152 1.00 0.00 O ATOM 0 H GLU A 93 12.495 -2.353 9.658 1.00 0.00 H new ATOM 0 HA GLU A 93 12.721 0.297 10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.033 -2.469 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.884 -0.956 12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.624 -0.590 11.835 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.773 -2.157 11.066 1.00 0.00 H new ATOM 1519 N SER A 94 15.221 0.468 10.787 1.00 0.00 N ATOM 1520 CA SER A 94 16.660 0.585 10.699 1.00 0.00 C ATOM 1521 C SER A 94 17.325 -0.063 11.903 1.00 0.00 C ATOM 1522 O SER A 94 17.765 -1.216 11.835 1.00 0.00 O ATOM 1523 CB SER A 94 17.043 2.056 10.594 1.00 0.00 C ATOM 1524 OG SER A 94 15.853 2.836 10.425 1.00 0.00 O ATOM 0 H SER A 94 14.723 1.358 10.818 1.00 0.00 H new ATOM 0 HA SER A 94 17.008 0.064 9.807 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.576 2.371 11.491 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.717 2.210 9.752 1.00 0.00 H new ATOM 0 HG SER A 94 16.090 3.784 10.358 1.00 0.00 H new ATOM 1604 N GLN A 99 9.737 4.649 13.176 1.00 0.00 N ATOM 1605 CA GLN A 99 9.041 4.132 12.011 1.00 0.00 C ATOM 1606 C GLN A 99 10.026 3.553 11.019 1.00 0.00 C ATOM 1607 O GLN A 99 11.095 4.122 10.793 1.00 0.00 O ATOM 1608 CB GLN A 99 8.192 5.224 11.351 1.00 0.00 C ATOM 1609 CG GLN A 99 6.916 5.456 12.173 1.00 0.00 C ATOM 1610 CD GLN A 99 5.945 4.297 11.974 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.037 4.388 11.160 1.00 0.00 O ATOM 1612 NE2 GLN A 99 6.089 3.206 12.658 1.00 0.00 N ATOM 0 HA GLN A 99 8.373 3.336 12.340 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.764 6.149 11.280 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.932 4.931 10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.167 5.552 13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.445 6.391 11.871 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.845 3.126 13.338 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.446 2.427 12.517 1.00 0.00 H new ATOM 1621 N PRO A 100 9.695 2.435 10.429 1.00 0.00 N ATOM 1622 CA PRO A 100 10.587 1.789 9.437 1.00 0.00 C ATOM 1623 C PRO A 100 10.747 2.644 8.188 1.00 0.00 C ATOM 1624 O PRO A 100 9.804 3.321 7.762 1.00 0.00 O ATOM 1625 CB PRO A 100 9.882 0.469 9.122 1.00 0.00 C ATOM 1626 CG PRO A 100 8.435 0.764 9.329 1.00 0.00 C ATOM 1627 CD PRO A 100 8.371 1.769 10.478 1.00 0.00 C ATOM 0 HA PRO A 100 11.600 1.647 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.080 0.147 8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.223 -0.331 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.987 1.176 8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.883 -0.143 9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.558 2.482 10.343 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.206 1.274 11.435 1.00 0.00 H new ATOM 1635 N ASP A 101 11.919 2.577 7.583 1.00 0.00 N ATOM 1636 CA ASP A 101 12.203 3.318 6.363 1.00 0.00 C ATOM 1637 C ASP A 101 11.301 2.819 5.264 1.00 0.00 C ATOM 1638 O ASP A 101 11.245 1.611 5.032 1.00 0.00 O ATOM 1639 CB ASP A 101 13.653 3.067 5.943 1.00 0.00 C ATOM 1640 CG ASP A 101 14.050 4.014 4.838 1.00 0.00 C ATOM 1641 OD1 ASP A 101 14.184 5.184 5.116 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.221 3.559 3.729 1.00 0.00 O ATOM 0 H ASP A 101 12.698 2.011 7.919 1.00 0.00 H new ATOM 0 HA ASP A 101 12.040 4.381 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.315 3.199 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.768 2.037 5.607 1.00 0.00 H new ATOM 1647 N PHE A 102 10.621 3.718 4.555 1.00 0.00 N ATOM 1648 CA PHE A 102 9.761 3.271 3.468 1.00 0.00 C ATOM 1649 C PHE A 102 10.624 2.833 2.298 1.00 0.00 C ATOM 1650 O PHE A 102 11.072 3.652 1.492 1.00 0.00 O ATOM 1651 CB PHE A 102 8.808 4.388 3.020 1.00 0.00 C ATOM 1652 CG PHE A 102 7.843 4.745 4.131 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.793 3.878 4.451 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.992 5.951 4.829 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.890 4.219 5.468 1.00 0.00 C ATOM 1656 CE2 PHE A 102 7.092 6.288 5.846 1.00 0.00 C ATOM 1657 CZ PHE A 102 6.042 5.421 6.167 1.00 0.00 C ATOM 0 H PHE A 102 10.647 4.726 4.707 1.00 0.00 H new ATOM 0 HA PHE A 102 9.158 2.435 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.382 5.269 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.253 4.068 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.678 2.947 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.802 6.621 4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.076 3.553 5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 102 7.208 7.218 6.383 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.349 5.680 6.954 1.00 0.00 H new ATOM 1667 N ILE A 103 10.869 1.541 2.234 1.00 0.00 N ATOM 1668 CA ILE A 103 11.693 0.947 1.207 1.00 0.00 C ATOM 1669 C ILE A 103 11.026 1.050 -0.152 1.00 0.00 C ATOM 1670 O ILE A 103 11.676 1.310 -1.150 1.00 0.00 O ATOM 1671 CB ILE A 103 11.951 -0.521 1.552 1.00 0.00 C ATOM 1672 CG1 ILE A 103 12.801 -0.604 2.817 1.00 0.00 C ATOM 1673 CG2 ILE A 103 12.711 -1.197 0.411 1.00 0.00 C ATOM 1674 CD1 ILE A 103 12.807 -2.048 3.309 1.00 0.00 C ATOM 0 H ILE A 103 10.496 0.867 2.903 1.00 0.00 H new ATOM 0 HA ILE A 103 12.639 1.487 1.161 1.00 0.00 H new ATOM 0 HB ILE A 103 10.995 -1.021 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.818 -0.271 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.399 0.056 3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.892 -2.242 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.120 -1.141 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.664 -0.691 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.411 -2.122 4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.786 -2.362 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.228 -2.693 2.538 1.00 0.00 H new ATOM 1686 N ASN A 104 9.742 0.746 -0.189 1.00 0.00 N ATOM 1687 CA ASN A 104 8.999 0.726 -1.443 1.00 0.00 C ATOM 1688 C ASN A 104 7.525 0.885 -1.169 1.00 0.00 C ATOM 1689 O ASN A 104 7.015 0.332 -0.194 1.00 0.00 O ATOM 1690 CB ASN A 104 9.224 -0.601 -2.187 1.00 0.00 C ATOM 1691 CG ASN A 104 8.692 -0.502 -3.619 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.568 -0.060 -3.841 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.433 -0.881 -4.608 1.00 0.00 N ATOM 0 H ASN A 104 9.188 0.509 0.634 1.00 0.00 H new ATOM 0 HA ASN A 104 9.355 1.550 -2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.287 -0.842 -2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.721 -1.412 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.083 -0.812 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.368 -1.249 -4.433 1.00 0.00 H new ATOM 1700 N MET A 105 6.825 1.535 -2.069 1.00 0.00 N ATOM 1701 CA MET A 105 5.379 1.632 -1.967 1.00 0.00 C ATOM 1702 C MET A 105 4.762 2.092 -3.282 1.00 0.00 C ATOM 1703 O MET A 105 5.172 3.112 -3.862 1.00 0.00 O ATOM 1704 CB MET A 105 4.953 2.495 -0.749 1.00 0.00 C ATOM 1705 CG MET A 105 4.226 3.774 -1.175 1.00 0.00 C ATOM 1706 SD MET A 105 2.573 3.361 -1.785 1.00 0.00 S ATOM 1707 CE MET A 105 1.828 2.943 -0.190 1.00 0.00 C ATOM 0 H MET A 105 7.227 2.005 -2.880 1.00 0.00 H new ATOM 0 HA MET A 105 4.981 0.635 -1.780 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.303 1.909 -0.099 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.835 2.757 -0.165 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.152 4.460 -0.331 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.794 4.285 -1.952 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.751 3.104 -0.238 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.029 1.897 0.043 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.255 3.576 0.588 1.00 0.00 H new ATOM 1717 N TYR A 106 3.791 1.325 -3.763 1.00 0.00 N ATOM 1718 CA TYR A 106 3.130 1.628 -5.024 1.00 0.00 C ATOM 1719 C TYR A 106 1.658 1.275 -4.952 1.00 0.00 C ATOM 1720 O TYR A 106 1.225 0.523 -4.068 1.00 0.00 O ATOM 1721 CB TYR A 106 3.788 0.878 -6.192 1.00 0.00 C ATOM 1722 CG TYR A 106 3.640 -0.610 -5.988 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.595 -1.316 -5.255 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.545 -1.283 -6.547 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.450 -2.691 -5.069 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.398 -2.657 -6.358 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.348 -3.364 -5.627 1.00 0.00 C ATOM 1728 OH TYR A 106 3.195 -4.729 -5.437 1.00 0.00 O ATOM 0 H TYR A 106 3.444 0.487 -3.297 1.00 0.00 H new ATOM 0 HA TYR A 106 3.232 2.699 -5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.325 1.174 -7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.843 1.143 -6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.444 -0.799 -4.833 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.814 -0.737 -7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.184 -3.239 -4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.547 -3.172 -6.779 1.00 0.00 H new ATOM 0 HH TYR A 106 2.875 -5.141 -6.267 1.00 0.00 H new ATOM 1738 N VAL A 107 0.894 1.828 -5.873 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.532 1.598 -5.917 1.00 0.00 C ATOM 1740 C VAL A 107 -0.920 1.027 -7.274 1.00 0.00 C ATOM 1741 O VAL A 107 -0.568 1.589 -8.320 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.256 2.933 -5.668 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.760 2.781 -5.910 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.001 3.395 -4.232 1.00 0.00 C ATOM 0 H VAL A 107 1.243 2.445 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.820 0.881 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.869 3.679 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.256 3.735 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.933 2.472 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.163 2.028 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.514 4.341 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.376 2.644 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.070 3.530 -4.078 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.677 -0.059 -7.258 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.189 -0.651 -8.489 1.00 0.00 C ATOM 1756 C ASP A 108 -3.654 -0.305 -8.656 1.00 0.00 C ATOM 1757 O ASP A 108 -4.512 -0.834 -7.929 1.00 0.00 O ATOM 1758 CB ASP A 108 -2.023 -2.178 -8.492 1.00 0.00 C ATOM 1759 CG ASP A 108 -2.220 -2.741 -9.894 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -1.955 -2.038 -10.841 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -2.633 -3.877 -10.002 1.00 0.00 O ATOM 0 H ASP A 108 -1.952 -0.550 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.612 -0.243 -9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.031 -2.441 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.744 -2.628 -7.810 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.950 0.548 -9.618 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.323 0.930 -9.905 1.00 0.00 C ATOM 1768 C VAL A 109 -5.769 0.293 -11.225 1.00 0.00 C ATOM 1769 O VAL A 109 -5.056 0.374 -12.229 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.442 2.460 -9.971 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.908 2.864 -10.130 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.884 3.077 -8.679 1.00 0.00 C ATOM 0 H VAL A 109 -3.255 0.993 -10.218 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.973 0.572 -9.107 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.873 2.823 -10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.983 3.950 -10.176 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.306 2.434 -11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.481 2.496 -9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.969 4.163 -8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.451 2.707 -7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.836 2.800 -8.567 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.885 -0.394 -11.228 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.347 -1.107 -12.459 1.00 0.00 C ATOM 1784 C PRO A 110 -7.521 -0.141 -13.629 1.00 0.00 C ATOM 1785 O PRO A 110 -8.091 0.944 -13.472 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.702 -1.701 -12.044 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.622 -1.824 -10.562 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.796 -0.639 -10.091 1.00 0.00 C ATOM 0 HA PRO A 110 -6.633 -1.858 -12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.527 -1.054 -12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.870 -2.670 -12.513 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.616 -1.810 -10.115 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.155 -2.766 -10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.420 0.229 -9.880 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.248 -0.867 -9.177 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.077 -0.556 -14.803 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.197 0.257 -16.012 1.00 0.00 C ATOM 1798 C GLY A 111 -6.189 1.399 -15.999 1.00 0.00 C ATOM 1799 O GLY A 111 -6.132 2.203 -16.931 1.00 0.00 O ATOM 0 H GLY A 111 -6.625 -1.459 -14.950 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.036 -0.366 -16.892 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.207 0.659 -16.086 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.397 1.470 -14.940 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.426 2.542 -14.777 1.00 0.00 C ATOM 1805 C GLU A 112 -3.000 2.017 -14.693 1.00 0.00 C ATOM 1806 O GLU A 112 -2.765 0.833 -14.407 1.00 0.00 O ATOM 1807 CB GLU A 112 -4.762 3.369 -13.543 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.073 4.143 -13.781 1.00 0.00 C ATOM 1809 CD GLU A 112 -5.894 5.195 -14.864 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -4.772 5.553 -15.150 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -6.884 5.628 -15.400 1.00 0.00 O ATOM 0 H GLU A 112 -5.408 0.794 -14.176 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.484 3.175 -15.663 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.864 2.719 -12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.951 4.065 -13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.862 3.449 -14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.391 4.620 -12.854 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.048 2.915 -14.913 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.644 2.572 -14.836 1.00 0.00 C ATOM 1820 C LYS A 113 -0.263 2.333 -13.403 1.00 0.00 C ATOM 1821 O LYS A 113 -0.816 2.950 -12.487 1.00 0.00 O ATOM 1822 CB LYS A 113 0.232 3.698 -15.396 1.00 0.00 C ATOM 1823 CG LYS A 113 0.327 3.594 -16.923 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.075 3.657 -17.533 1.00 0.00 C ATOM 1825 CE LYS A 113 -0.967 3.854 -19.038 1.00 0.00 C ATOM 1826 NZ LYS A 113 -0.690 5.279 -19.331 1.00 0.00 N ATOM 0 H LYS A 113 -2.230 3.891 -15.147 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.484 1.672 -15.429 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.186 4.665 -15.117 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.229 3.643 -14.959 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.941 4.405 -17.315 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.815 2.660 -17.204 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.620 2.739 -17.314 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.640 4.476 -17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.171 3.227 -19.441 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.893 3.545 -19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.288 5.593 -20.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.899 5.853 -18.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 0.311 5.392 -19.588 1.00 0.00 H new ATOM 1840 N ARG A 114 0.716 1.489 -13.211 1.00 0.00 N ATOM 1841 CA ARG A 114 1.224 1.227 -11.889 1.00 0.00 C ATOM 1842 C ARG A 114 1.788 2.518 -11.308 1.00 0.00 C ATOM 1843 O ARG A 114 2.625 3.182 -11.936 1.00 0.00 O ATOM 1844 CB ARG A 114 2.313 0.157 -11.985 1.00 0.00 C ATOM 1845 CG ARG A 114 3.530 0.728 -12.729 1.00 0.00 C ATOM 1846 CD ARG A 114 4.474 -0.403 -13.106 1.00 0.00 C ATOM 1847 NE ARG A 114 5.782 0.137 -13.480 1.00 0.00 N ATOM 1848 CZ ARG A 114 6.904 -0.563 -13.303 1.00 0.00 C ATOM 1849 NH1 ARG A 114 6.841 -1.788 -12.852 1.00 0.00 N ATOM 1850 NH2 ARG A 114 8.062 -0.025 -13.574 1.00 0.00 N ATOM 0 H ARG A 114 1.180 0.969 -13.956 1.00 0.00 H new ATOM 0 HA ARG A 114 0.429 0.868 -11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.605 -0.171 -10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.931 -0.719 -12.509 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.206 1.258 -13.624 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.047 1.452 -12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.582 -1.091 -12.268 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.057 -0.974 -13.936 1.00 0.00 H new ATOM 0 HE ARG A 114 5.837 1.071 -13.886 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.936 -2.206 -12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.697 -2.326 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.111 0.933 -13.922 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.918 -0.562 -13.438 1.00 0.00 H new ATOM 1864 N TYR A 115 1.301 2.917 -10.147 1.00 0.00 N ATOM 1865 CA TYR A 115 1.758 4.151 -9.536 1.00 0.00 C ATOM 1866 C TYR A 115 2.673 3.847 -8.373 1.00 0.00 C ATOM 1867 O TYR A 115 2.248 3.233 -7.387 1.00 0.00 O ATOM 1868 CB TYR A 115 0.563 4.977 -9.056 1.00 0.00 C ATOM 1869 CG TYR A 115 1.014 6.377 -8.707 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.102 7.354 -9.708 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.354 6.696 -7.389 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.519 8.644 -9.387 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.772 7.993 -7.072 1.00 0.00 C ATOM 1874 CZ TYR A 115 1.855 8.964 -8.073 1.00 0.00 C ATOM 1875 OH TYR A 115 2.266 10.243 -7.762 1.00 0.00 O ATOM 0 H TYR A 115 0.596 2.410 -9.613 1.00 0.00 H new ATOM 0 HA TYR A 115 2.309 4.726 -10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.200 5.014 -9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.109 4.504 -8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.847 7.107 -10.728 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.294 5.943 -6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.582 9.398 -10.158 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.030 8.243 -6.054 1.00 0.00 H new ATOM 0 HH TYR A 115 2.388 10.757 -8.587 1.00 0.00 H new ATOM 1885 N TYR A 116 3.896 4.349 -8.435 1.00 0.00 N ATOM 1886 CA TYR A 116 4.832 4.179 -7.339 1.00 0.00 C ATOM 1887 C TYR A 116 4.874 5.424 -6.500 1.00 0.00 C ATOM 1888 O TYR A 116 5.587 6.374 -6.818 1.00 0.00 O ATOM 1889 CB TYR A 116 6.235 3.854 -7.855 1.00 0.00 C ATOM 1890 CG TYR A 116 6.313 2.393 -8.231 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.739 1.941 -9.421 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.970 1.491 -7.384 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.817 0.591 -9.767 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.048 0.142 -7.728 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.473 -0.309 -8.922 1.00 0.00 C ATOM 1896 OH TYR A 116 6.553 -1.636 -9.264 1.00 0.00 O ATOM 0 H TYR A 116 4.261 4.875 -9.229 1.00 0.00 H new ATOM 0 HA TYR A 116 4.490 3.342 -6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.468 4.475 -8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.977 4.083 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.234 2.637 -10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.416 1.841 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.371 0.242 -10.687 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.552 -0.554 -7.074 1.00 0.00 H new ATOM 0 HH TYR A 116 7.042 -2.124 -8.569 1.00 0.00 H new ATOM 1906 N LEU A 117 4.165 5.393 -5.395 1.00 0.00 N ATOM 1907 CA LEU A 117 4.168 6.498 -4.468 1.00 0.00 C ATOM 1908 C LEU A 117 5.559 6.685 -3.902 1.00 0.00 C ATOM 1909 O LEU A 117 6.055 7.808 -3.796 1.00 0.00 O ATOM 1910 CB LEU A 117 3.166 6.243 -3.344 1.00 0.00 C ATOM 1911 CG LEU A 117 3.186 7.401 -2.337 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.835 8.716 -3.034 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.175 7.124 -1.228 1.00 0.00 C ATOM 0 H LEU A 117 3.576 4.609 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 117 3.875 7.407 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.164 6.131 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.407 5.308 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 117 4.186 7.485 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.853 9.529 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.562 8.916 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.839 8.642 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.187 7.945 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.178 7.033 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.437 6.196 -0.721 1.00 0.00 H new ATOM 1925 N ILE A 118 6.193 5.578 -3.556 1.00 0.00 N ATOM 1926 CA ILE A 118 7.540 5.602 -3.041 1.00 0.00 C ATOM 1927 C ILE A 118 8.444 4.753 -3.913 1.00 0.00 C ATOM 1928 O ILE A 118 8.205 3.553 -4.087 1.00 0.00 O ATOM 1929 CB ILE A 118 7.558 5.110 -1.577 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.736 6.071 -0.708 1.00 0.00 C ATOM 1931 CG2 ILE A 118 8.997 5.033 -1.039 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.574 5.496 0.699 1.00 0.00 C ATOM 0 H ILE A 118 5.787 4.645 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 118 7.913 6.626 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 118 7.124 4.111 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.229 7.042 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.757 6.234 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.981 4.684 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.576 4.339 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.454 6.021 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.989 6.185 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.061 4.536 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.556 5.356 1.150 1.00 0.00 H new ATOM 1944 N LYS A 119 9.492 5.359 -4.423 1.00 0.00 N ATOM 1945 CA LYS A 119 10.467 4.648 -5.219 1.00 0.00 C ATOM 1946 C LYS A 119 11.554 4.125 -4.303 1.00 0.00 C ATOM 1947 O LYS A 119 12.059 4.867 -3.459 1.00 0.00 O ATOM 1948 CB LYS A 119 11.089 5.579 -6.279 1.00 0.00 C ATOM 1949 CG LYS A 119 10.001 6.430 -6.969 1.00 0.00 C ATOM 1950 CD LYS A 119 9.455 5.692 -8.198 1.00 0.00 C ATOM 1951 CE LYS A 119 8.295 6.499 -8.808 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.752 7.874 -9.144 1.00 0.00 N ATOM 0 H LYS A 119 9.692 6.351 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 119 9.976 3.822 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.824 6.232 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.620 4.986 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.191 6.636 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.416 7.392 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.246 5.558 -8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.111 4.697 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.926 6.000 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.464 6.545 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.086 8.307 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.792 8.448 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.698 7.830 -9.574 1.00 0.00 H new ATOM 1966 N PRO A 120 11.924 2.886 -4.434 1.00 0.00 N ATOM 1967 CA PRO A 120 12.982 2.323 -3.562 1.00 0.00 C ATOM 1968 C PRO A 120 14.333 2.945 -3.835 1.00 0.00 C ATOM 1969 O PRO A 120 14.491 3.767 -4.751 1.00 0.00 O ATOM 1970 CB PRO A 120 12.976 0.826 -3.845 1.00 0.00 C ATOM 1971 CG PRO A 120 12.362 0.705 -5.202 1.00 0.00 C ATOM 1972 CD PRO A 120 11.343 1.845 -5.304 1.00 0.00 C ATOM 0 HA PRO A 120 12.788 2.534 -2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.985 0.415 -3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.398 0.283 -3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 120 13.119 0.787 -5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.878 -0.264 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.229 2.194 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.356 1.536 -4.960 1.00 0.00 H new ATOM 1980 N LYS A 121 15.280 2.622 -2.987 1.00 0.00 N ATOM 1981 CA LYS A 121 16.602 3.209 -3.056 1.00 0.00 C ATOM 1982 C LYS A 121 17.208 2.931 -4.408 1.00 0.00 C ATOM 1983 O LYS A 121 17.712 3.831 -5.071 1.00 0.00 O ATOM 1984 CB LYS A 121 17.495 2.533 -2.028 1.00 0.00 C ATOM 1985 CG LYS A 121 17.065 2.866 -0.601 1.00 0.00 C ATOM 1986 CD LYS A 121 15.752 2.165 -0.216 1.00 0.00 C ATOM 1987 CE LYS A 121 15.615 2.149 1.307 1.00 0.00 C ATOM 1988 NZ LYS A 121 15.687 3.531 1.828 1.00 0.00 N ATOM 0 H LYS A 121 15.159 1.948 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 121 16.523 4.281 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.466 1.453 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.528 2.847 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 121 17.851 2.569 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.943 3.945 -0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.904 2.684 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.743 1.146 -0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.668 1.692 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.407 1.542 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 15.122 3.604 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.677 3.772 2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.313 4.190 1.116 1.00 0.00 H new