USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 831 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 70 ASN : amide:sc= -0.0227 K(o=-0.19,f=-4.1!) USER MOD Set 1.2: A 80 MET CE :methyl -153:sc= -0.167 (180deg=-1.24!) USER MOD Set 2.1: A 67 TYR OH : rot -78:sc= -1.82! USER MOD Set 2.2: A 71 HIS : no HD1:sc= -3.64! C(o=-5.5!,f=-3!) USER MOD Set 3.1: A 40 SER OG : rot -80:sc= -1.31 USER MOD Set 3.2: A 52 ASN : amide:sc= -2.48 K(o=-3.8,f=-5.4!) USER MOD Set 3.3: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 26 HIS : no HE2:sc= -15.4! C(o=-22!,f=-33!) USER MOD Set 4.2: A 31 ASN : amide:sc= -6.2! C(o=-22!,f=-35!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.362 USER MOD Single : A -2 LYS NZ :NH3+ 157:sc= -0.0679 (180deg=-0.424) USER MOD Single : A -3 PHE N :NH3+ -146:sc= 1.05 (180deg=0.213) USER MOD Single : A 11 LYS NZ :NH3+ -118:sc= -1.03 (180deg=-2.95!) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.593 USER MOD Single : A 14 CYS SG : rot 147:sc= -1.21 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.438 USER MOD Single : A 18 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-5.7!) USER MOD Single : A 39 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.25) USER MOD Single : A 42 GLN : amide:sc= -3.52! C(o=-3.5!,f=-12!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -36:sc= -6.63! USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.434 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.9!) USER MOD Single : A 62 ASN : amide:sc= -0.0941 K(o=-0.094,f=-2.2!) USER MOD Single : A 63 ASN : amide:sc= 0.0977 K(o=0.098,f=-2!) USER MOD Single : A 64 MET CE :methyl 150:sc= -0.14 (180deg=-0.852) USER MOD Single : A 65 SER OG : rot 78:sc= 0.747 USER MOD Single : A 69 THR OG1 : rot -50:sc= 0.6 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.0558 (180deg=-0.481) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= -0.0101 (180deg=-0.193) USER MOD Single : A 92 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.8!) USER MOD Single : A 96 THR OG1 : rot 67:sc= 0.00256 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 144:sc= -1.88 (180deg=-3.14!) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0811) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -13.027 8.269 2.830 1.00 0.00 N ATOM 33 CA PHE A -3 -11.900 8.426 3.790 1.00 0.00 C ATOM 34 C PHE A -3 -11.530 9.907 3.899 1.00 0.00 C ATOM 35 O PHE A -3 -11.886 10.710 3.060 1.00 0.00 O ATOM 36 CB PHE A -3 -10.690 7.626 3.300 1.00 0.00 C ATOM 37 CG PHE A -3 -10.183 8.214 2.005 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.743 7.818 0.785 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.149 9.158 2.026 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.270 8.365 -0.413 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.676 9.705 0.828 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.236 9.308 -0.391 1.00 0.00 C ATOM 0 H1 PHE A -3 -13.640 7.488 3.139 1.00 0.00 H new ATOM 0 H2 PHE A -3 -13.579 9.150 2.795 1.00 0.00 H new ATOM 0 H3 PHE A -3 -12.650 8.059 1.884 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.201 8.054 4.769 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.901 7.644 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -10.967 6.582 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.541 7.090 0.768 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.716 9.464 2.967 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.703 8.060 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.879 10.433 0.844 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.870 9.729 -1.316 1.00 0.00 H new ATOM 52 N LYS A -2 -10.823 10.280 4.933 1.00 0.00 N ATOM 53 CA LYS A -2 -10.439 11.710 5.095 1.00 0.00 C ATOM 54 C LYS A -2 -9.130 11.980 4.349 1.00 0.00 C ATOM 55 O LYS A -2 -8.211 11.187 4.385 1.00 0.00 O ATOM 56 CB LYS A -2 -10.248 12.022 6.581 1.00 0.00 C ATOM 57 CG LYS A -2 -11.501 11.616 7.362 1.00 0.00 C ATOM 58 CD LYS A -2 -12.688 12.485 6.937 1.00 0.00 C ATOM 59 CE LYS A -2 -13.806 12.360 7.972 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.418 13.089 9.212 1.00 0.00 N ATOM 0 H LYS A -2 -10.496 9.656 5.671 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.227 12.343 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -9.380 11.487 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.053 13.086 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.727 10.565 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -11.324 11.726 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.377 13.526 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.049 12.173 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -14.734 12.769 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.992 11.310 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.273 13.344 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.812 12.480 9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -12.898 13.953 8.958 1.00 0.00 H new ATOM 74 N ALA A -1 -9.042 13.095 3.676 1.00 0.00 N ATOM 75 CA ALA A -1 -7.798 13.423 2.926 1.00 0.00 C ATOM 76 C ALA A -1 -7.077 14.587 3.611 1.00 0.00 C ATOM 77 O ALA A -1 -7.044 14.682 4.822 1.00 0.00 O ATOM 78 CB ALA A -1 -8.163 13.823 1.496 1.00 0.00 C ATOM 0 H ALA A -1 -9.781 13.795 3.614 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.143 12.552 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.255 14.064 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.677 12.996 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.817 14.695 1.518 1.00 0.00 H new ATOM 84 N GLY A 1 -6.498 15.470 2.845 1.00 0.00 N ATOM 85 CA GLY A 1 -5.777 16.626 3.452 1.00 0.00 C ATOM 86 C GLY A 1 -4.858 17.262 2.407 1.00 0.00 C ATOM 87 O GLY A 1 -5.229 18.197 1.725 1.00 0.00 O ATOM 0 H GLY A 1 -6.493 15.442 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.492 17.362 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.193 16.294 4.311 1.00 0.00 H new ATOM 91 N SER A 2 -3.662 16.757 2.271 1.00 0.00 N ATOM 92 CA SER A 2 -2.722 17.323 1.272 1.00 0.00 C ATOM 93 C SER A 2 -1.993 16.180 0.565 1.00 0.00 C ATOM 94 O SER A 2 -1.086 15.581 1.105 1.00 0.00 O ATOM 95 CB SER A 2 -1.706 18.223 1.974 1.00 0.00 C ATOM 96 OG SER A 2 -1.619 17.850 3.344 1.00 0.00 O ATOM 0 H SER A 2 -3.297 15.973 2.813 1.00 0.00 H new ATOM 0 HA SER A 2 -3.276 17.912 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.730 18.131 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.006 19.267 1.887 1.00 0.00 H new ATOM 0 HG SER A 2 -0.967 18.423 3.798 1.00 0.00 H new ATOM 102 N ALA A 3 -2.385 15.875 -0.639 1.00 0.00 N ATOM 103 CA ALA A 3 -1.720 14.772 -1.385 1.00 0.00 C ATOM 104 C ALA A 3 -0.261 15.143 -1.649 1.00 0.00 C ATOM 105 O ALA A 3 0.571 14.295 -1.900 1.00 0.00 O ATOM 106 CB ALA A 3 -2.439 14.555 -2.716 1.00 0.00 C ATOM 0 H ALA A 3 -3.140 16.343 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.761 13.856 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.954 13.748 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.480 14.292 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.397 15.471 -3.306 1.00 0.00 H new ATOM 112 N LYS A 4 0.054 16.408 -1.601 1.00 0.00 N ATOM 113 CA LYS A 4 1.458 16.834 -1.857 1.00 0.00 C ATOM 114 C LYS A 4 2.399 16.097 -0.900 1.00 0.00 C ATOM 115 O LYS A 4 3.383 15.516 -1.310 1.00 0.00 O ATOM 116 CB LYS A 4 1.564 18.338 -1.611 1.00 0.00 C ATOM 117 CG LYS A 4 0.604 19.072 -2.550 1.00 0.00 C ATOM 118 CD LYS A 4 0.255 20.439 -1.957 1.00 0.00 C ATOM 119 CE LYS A 4 -0.909 20.287 -0.969 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.353 21.635 -0.516 1.00 0.00 N ATOM 0 H LYS A 4 -0.599 17.164 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 4 1.736 16.601 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.322 18.566 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.587 18.675 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.062 19.196 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.302 18.484 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.123 20.860 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.017 21.133 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.737 19.760 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.598 19.688 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.142 21.534 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.562 22.122 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.665 22.192 -1.337 1.00 0.00 H new ATOM 134 N LYS A 5 2.101 16.112 0.371 1.00 0.00 N ATOM 135 CA LYS A 5 2.974 15.409 1.348 1.00 0.00 C ATOM 136 C LYS A 5 2.895 13.899 1.116 1.00 0.00 C ATOM 137 O LYS A 5 3.889 13.201 1.142 1.00 0.00 O ATOM 138 CB LYS A 5 2.506 15.736 2.763 1.00 0.00 C ATOM 139 CG LYS A 5 2.694 17.230 3.034 1.00 0.00 C ATOM 140 CD LYS A 5 2.329 17.536 4.488 1.00 0.00 C ATOM 141 CE LYS A 5 2.406 19.046 4.728 1.00 0.00 C ATOM 142 NZ LYS A 5 3.182 19.313 5.973 1.00 0.00 N ATOM 0 H LYS A 5 1.290 16.582 0.773 1.00 0.00 H new ATOM 0 HA LYS A 5 4.006 15.736 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.457 15.464 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.071 15.151 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.727 17.518 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.067 17.814 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.324 17.173 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.009 17.015 5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.881 19.536 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.403 19.463 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.234 20.339 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.710 18.858 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.143 18.929 5.872 1.00 0.00 H new ATOM 156 N GLY A 6 1.715 13.392 0.891 1.00 0.00 N ATOM 157 CA GLY A 6 1.557 11.928 0.660 1.00 0.00 C ATOM 158 C GLY A 6 2.261 11.522 -0.633 1.00 0.00 C ATOM 159 O GLY A 6 2.812 10.444 -0.738 1.00 0.00 O ATOM 0 H GLY A 6 0.849 13.931 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.974 11.372 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.499 11.673 0.603 1.00 0.00 H new ATOM 163 N ALA A 7 2.241 12.369 -1.622 1.00 0.00 N ATOM 164 CA ALA A 7 2.901 12.018 -2.908 1.00 0.00 C ATOM 165 C ALA A 7 4.381 11.741 -2.660 1.00 0.00 C ATOM 166 O ALA A 7 4.924 10.756 -3.120 1.00 0.00 O ATOM 167 CB ALA A 7 2.758 13.182 -3.891 1.00 0.00 C ATOM 0 H ALA A 7 1.797 13.287 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 7 2.429 11.129 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.242 12.924 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.701 13.381 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.229 14.071 -3.473 1.00 0.00 H new ATOM 173 N THR A 8 5.038 12.596 -1.932 1.00 0.00 N ATOM 174 CA THR A 8 6.478 12.377 -1.655 1.00 0.00 C ATOM 175 C THR A 8 6.635 11.293 -0.587 1.00 0.00 C ATOM 176 O THR A 8 7.621 10.584 -0.550 1.00 0.00 O ATOM 177 CB THR A 8 7.100 13.680 -1.157 1.00 0.00 C ATOM 178 OG1 THR A 8 6.583 13.989 0.131 1.00 0.00 O ATOM 179 CG2 THR A 8 6.765 14.813 -2.128 1.00 0.00 C ATOM 0 H THR A 8 4.638 13.438 -1.517 1.00 0.00 H new ATOM 0 HA THR A 8 6.981 12.058 -2.568 1.00 0.00 H new ATOM 0 HB THR A 8 8.182 13.565 -1.097 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.656 13.676 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.210 15.742 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.163 14.576 -3.115 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.683 14.930 -2.192 1.00 0.00 H new ATOM 187 N LEU A 9 5.673 11.159 0.286 1.00 0.00 N ATOM 188 CA LEU A 9 5.776 10.122 1.347 1.00 0.00 C ATOM 189 C LEU A 9 6.007 8.759 0.696 1.00 0.00 C ATOM 190 O LEU A 9 6.892 8.017 1.076 1.00 0.00 O ATOM 191 CB LEU A 9 4.473 10.094 2.148 1.00 0.00 C ATOM 192 CG LEU A 9 4.620 9.145 3.337 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.634 9.718 4.329 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.266 8.989 4.033 1.00 0.00 C ATOM 0 H LEU A 9 4.823 11.722 0.309 1.00 0.00 H new ATOM 0 HA LEU A 9 6.608 10.352 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.229 11.097 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.650 9.770 1.511 1.00 0.00 H new ATOM 0 HG LEU A 9 4.966 8.174 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.737 9.040 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.600 9.833 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.288 10.690 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.369 8.312 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.923 9.962 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.540 8.581 3.330 1.00 0.00 H new ATOM 206 N PHE A 10 5.230 8.436 -0.297 1.00 0.00 N ATOM 207 CA PHE A 10 5.414 7.133 -0.991 1.00 0.00 C ATOM 208 C PHE A 10 6.785 7.120 -1.659 1.00 0.00 C ATOM 209 O PHE A 10 7.503 6.141 -1.614 1.00 0.00 O ATOM 210 CB PHE A 10 4.326 6.965 -2.059 1.00 0.00 C ATOM 211 CG PHE A 10 4.547 5.678 -2.822 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.528 5.621 -3.821 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.768 4.546 -2.544 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.731 4.435 -4.540 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.972 3.359 -3.263 1.00 0.00 C ATOM 216 CZ PHE A 10 4.955 3.304 -4.261 1.00 0.00 C ATOM 0 H PHE A 10 4.475 9.018 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 10 5.343 6.317 -0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.342 6.955 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.344 7.812 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.129 6.492 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.010 4.588 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.487 4.394 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.372 2.487 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.113 2.390 -4.814 1.00 0.00 H new ATOM 226 N LYS A 11 7.145 8.202 -2.293 1.00 0.00 N ATOM 227 CA LYS A 11 8.456 8.262 -2.984 1.00 0.00 C ATOM 228 C LYS A 11 9.610 8.143 -1.984 1.00 0.00 C ATOM 229 O LYS A 11 10.642 7.574 -2.282 1.00 0.00 O ATOM 230 CB LYS A 11 8.577 9.593 -3.726 1.00 0.00 C ATOM 231 CG LYS A 11 7.491 9.685 -4.797 1.00 0.00 C ATOM 232 CD LYS A 11 7.644 10.998 -5.570 1.00 0.00 C ATOM 233 CE LYS A 11 8.943 10.974 -6.380 1.00 0.00 C ATOM 234 NZ LYS A 11 10.046 11.564 -5.569 1.00 0.00 N ATOM 0 H LYS A 11 6.582 9.050 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 11 8.513 7.429 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.481 10.422 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.562 9.677 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.566 8.838 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.505 9.636 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.792 11.140 -6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.652 11.840 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.191 9.950 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.817 11.536 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.412 12.413 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.685 11.824 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.812 10.868 -5.465 1.00 0.00 H new ATOM 248 N THR A 12 9.461 8.702 -0.817 1.00 0.00 N ATOM 249 CA THR A 12 10.567 8.651 0.177 1.00 0.00 C ATOM 250 C THR A 12 10.413 7.458 1.124 1.00 0.00 C ATOM 251 O THR A 12 11.150 7.334 2.081 1.00 0.00 O ATOM 252 CB THR A 12 10.552 9.944 0.991 1.00 0.00 C ATOM 253 OG1 THR A 12 9.340 10.023 1.729 1.00 0.00 O ATOM 254 CG2 THR A 12 10.661 11.145 0.052 1.00 0.00 C ATOM 0 H THR A 12 8.621 9.192 -0.508 1.00 0.00 H new ATOM 0 HA THR A 12 11.511 8.539 -0.357 1.00 0.00 H new ATOM 0 HB THR A 12 11.397 9.949 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.611 10.294 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.650 12.065 0.636 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.592 11.083 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.818 11.144 -0.640 1.00 0.00 H new ATOM 262 N ARG A 13 9.469 6.584 0.891 1.00 0.00 N ATOM 263 CA ARG A 13 9.312 5.426 1.821 1.00 0.00 C ATOM 264 C ARG A 13 8.962 4.141 1.067 1.00 0.00 C ATOM 265 O ARG A 13 9.729 3.199 1.045 1.00 0.00 O ATOM 266 CB ARG A 13 8.202 5.732 2.826 1.00 0.00 C ATOM 267 CG ARG A 13 8.642 6.878 3.740 1.00 0.00 C ATOM 268 CD ARG A 13 7.623 7.051 4.867 1.00 0.00 C ATOM 269 NE ARG A 13 7.952 8.276 5.652 1.00 0.00 N ATOM 270 CZ ARG A 13 9.029 8.310 6.388 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.814 7.269 6.443 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.319 9.384 7.070 1.00 0.00 N ATOM 0 H ARG A 13 8.811 6.619 0.112 1.00 0.00 H new ATOM 0 HA ARG A 13 10.262 5.274 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.286 6.003 2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.979 4.845 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.628 6.668 4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.727 7.802 3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.618 7.130 4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.632 6.176 5.517 1.00 0.00 H new ATOM 0 HE ARG A 13 7.335 9.087 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.586 6.429 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.656 7.295 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.704 10.197 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.161 9.411 7.645 1.00 0.00 H new ATOM 286 N CYS A 14 7.804 4.076 0.474 1.00 0.00 N ATOM 287 CA CYS A 14 7.409 2.830 -0.243 1.00 0.00 C ATOM 288 C CYS A 14 8.295 2.615 -1.473 1.00 0.00 C ATOM 289 O CYS A 14 8.543 1.498 -1.872 1.00 0.00 O ATOM 290 CB CYS A 14 5.948 2.923 -0.681 1.00 0.00 C ATOM 291 SG CYS A 14 4.968 3.872 0.522 1.00 0.00 S ATOM 0 H CYS A 14 7.115 4.828 0.454 1.00 0.00 H new ATOM 0 HA CYS A 14 7.534 1.987 0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.887 3.398 -1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.531 1.921 -0.786 1.00 0.00 H new ATOM 0 HG CYS A 14 4.037 4.531 -0.101 1.00 0.00 H new ATOM 296 N LEU A 15 8.764 3.663 -2.087 1.00 0.00 N ATOM 297 CA LEU A 15 9.616 3.484 -3.298 1.00 0.00 C ATOM 298 C LEU A 15 10.828 2.608 -2.978 1.00 0.00 C ATOM 299 O LEU A 15 11.268 1.823 -3.795 1.00 0.00 O ATOM 300 CB LEU A 15 10.093 4.843 -3.805 1.00 0.00 C ATOM 301 CG LEU A 15 10.987 4.651 -5.033 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.194 3.948 -6.135 1.00 0.00 C ATOM 303 CD2 LEU A 15 11.455 6.018 -5.537 1.00 0.00 C ATOM 0 H LEU A 15 8.597 4.630 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 15 9.019 2.995 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.237 5.467 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.643 5.362 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 15 11.852 4.044 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.830 3.811 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.856 2.976 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.330 4.555 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.092 5.885 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.589 6.622 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.018 6.522 -4.752 1.00 0.00 H new ATOM 315 N GLN A 16 11.386 2.744 -1.810 1.00 0.00 N ATOM 316 CA GLN A 16 12.585 1.928 -1.464 1.00 0.00 C ATOM 317 C GLN A 16 12.295 0.439 -1.684 1.00 0.00 C ATOM 318 O GLN A 16 13.131 -0.294 -2.174 1.00 0.00 O ATOM 319 CB GLN A 16 12.951 2.161 0.001 1.00 0.00 C ATOM 320 CG GLN A 16 14.304 1.510 0.293 1.00 0.00 C ATOM 321 CD GLN A 16 14.618 1.630 1.786 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.919 1.076 2.612 1.00 0.00 O ATOM 323 NE2 GLN A 16 15.647 2.333 2.169 1.00 0.00 N ATOM 0 H GLN A 16 11.067 3.382 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 16 13.414 2.227 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.996 3.230 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.184 1.740 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.286 0.461 -0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.086 1.993 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.234 2.798 1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.866 2.418 3.162 1.00 0.00 H new ATOM 332 N CYS A 17 11.125 -0.016 -1.324 1.00 0.00 N ATOM 333 CA CYS A 17 10.799 -1.462 -1.511 1.00 0.00 C ATOM 334 C CYS A 17 9.830 -1.641 -2.676 1.00 0.00 C ATOM 335 O CYS A 17 9.917 -2.592 -3.428 1.00 0.00 O ATOM 336 CB CYS A 17 10.150 -2.006 -0.235 1.00 0.00 C ATOM 337 SG CYS A 17 11.359 -2.015 1.120 1.00 0.00 S ATOM 0 H CYS A 17 10.382 0.548 -0.910 1.00 0.00 H new ATOM 0 HA CYS A 17 11.720 -2.005 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.291 -1.392 0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.778 -3.016 -0.408 1.00 0.00 H new ATOM 0 HG CYS A 17 10.799 -2.476 2.199 1.00 0.00 H new ATOM 342 N HIS A 18 8.892 -0.757 -2.814 1.00 0.00 N ATOM 343 CA HIS A 18 7.897 -0.898 -3.912 1.00 0.00 C ATOM 344 C HIS A 18 8.210 0.020 -5.085 1.00 0.00 C ATOM 345 O HIS A 18 8.907 1.001 -4.970 1.00 0.00 O ATOM 346 CB HIS A 18 6.514 -0.510 -3.405 1.00 0.00 C ATOM 347 CG HIS A 18 6.065 -1.457 -2.345 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.706 -2.768 -2.627 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.864 -1.288 -1.002 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.300 -3.328 -1.475 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.379 -2.463 -0.467 1.00 0.00 N ATOM 0 H HIS A 18 8.767 0.060 -2.216 1.00 0.00 H new ATOM 0 HA HIS A 18 7.934 -1.937 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.536 0.505 -3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.802 -0.514 -4.231 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.743 -3.222 -3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.055 -0.380 -0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.955 -4.347 -1.380 1.00 0.00 H new ATOM 359 N THR A 19 7.631 -0.289 -6.202 1.00 0.00 N ATOM 360 CA THR A 19 7.788 0.559 -7.411 1.00 0.00 C ATOM 361 C THR A 19 6.399 0.684 -8.044 1.00 0.00 C ATOM 362 O THR A 19 5.759 -0.307 -8.340 1.00 0.00 O ATOM 363 CB THR A 19 8.751 -0.096 -8.398 1.00 0.00 C ATOM 364 OG1 THR A 19 9.895 -0.572 -7.702 1.00 0.00 O ATOM 365 CG2 THR A 19 9.184 0.931 -9.447 1.00 0.00 C ATOM 0 H THR A 19 7.042 -1.111 -6.334 1.00 0.00 H new ATOM 0 HA THR A 19 8.194 1.536 -7.150 1.00 0.00 H new ATOM 0 HB THR A 19 8.252 -0.931 -8.890 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.512 -0.994 -8.336 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.872 0.463 -10.152 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.308 1.296 -9.983 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.682 1.766 -8.955 1.00 0.00 H new ATOM 373 N VAL A 20 5.909 1.875 -8.236 1.00 0.00 N ATOM 374 CA VAL A 20 4.546 2.024 -8.828 1.00 0.00 C ATOM 375 C VAL A 20 4.549 1.510 -10.268 1.00 0.00 C ATOM 376 O VAL A 20 3.520 1.414 -10.902 1.00 0.00 O ATOM 377 CB VAL A 20 4.131 3.496 -8.805 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.192 4.023 -7.370 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.081 4.309 -9.684 1.00 0.00 C ATOM 0 H VAL A 20 6.387 2.748 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 20 3.835 1.442 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 20 3.113 3.590 -9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.896 5.072 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.514 3.446 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.209 3.927 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.785 5.358 -9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.099 4.213 -9.305 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.038 3.936 -10.707 1.00 0.00 H new ATOM 389 N GLU A 21 5.692 1.173 -10.792 1.00 0.00 N ATOM 390 CA GLU A 21 5.731 0.655 -12.185 1.00 0.00 C ATOM 391 C GLU A 21 5.085 -0.733 -12.205 1.00 0.00 C ATOM 392 O GLU A 21 5.263 -1.518 -11.295 1.00 0.00 O ATOM 393 CB GLU A 21 7.185 0.554 -12.654 1.00 0.00 C ATOM 394 CG GLU A 21 7.221 0.205 -14.143 1.00 0.00 C ATOM 395 CD GLU A 21 8.670 0.005 -14.587 1.00 0.00 C ATOM 396 OE1 GLU A 21 9.548 0.119 -13.748 1.00 0.00 O ATOM 397 OE2 GLU A 21 8.879 -0.259 -15.760 1.00 0.00 O ATOM 0 H GLU A 21 6.594 1.233 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 21 5.190 1.328 -12.851 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.701 1.498 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.711 -0.208 -12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.645 -0.701 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.758 1.002 -14.725 1.00 0.00 H new ATOM 404 N LYS A 22 4.332 -1.044 -13.224 1.00 0.00 N ATOM 405 CA LYS A 22 3.679 -2.383 -13.276 1.00 0.00 C ATOM 406 C LYS A 22 4.744 -3.464 -13.098 1.00 0.00 C ATOM 407 O LYS A 22 4.486 -4.521 -12.557 1.00 0.00 O ATOM 408 CB LYS A 22 2.981 -2.565 -14.626 1.00 0.00 C ATOM 409 CG LYS A 22 1.824 -1.570 -14.742 1.00 0.00 C ATOM 410 CD LYS A 22 1.045 -1.842 -16.032 1.00 0.00 C ATOM 411 CE LYS A 22 -0.054 -0.790 -16.196 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.171 -0.413 -17.633 1.00 0.00 N ATOM 0 H LYS A 22 4.141 -0.433 -14.018 1.00 0.00 H new ATOM 0 HA LYS A 22 2.939 -2.461 -12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.691 -2.409 -15.438 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.608 -3.585 -14.720 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.164 -1.661 -13.880 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.207 -0.549 -14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.719 -1.816 -16.889 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.607 -2.840 -16.001 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.004 -1.182 -15.833 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.178 0.090 -15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.918 0.302 -17.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.734 -0.023 -17.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.411 -1.255 -18.194 1.00 0.00 H new ATOM 426 N GLY A 23 5.940 -3.198 -13.542 1.00 0.00 N ATOM 427 CA GLY A 23 7.039 -4.197 -13.398 1.00 0.00 C ATOM 428 C GLY A 23 8.246 -3.524 -12.742 1.00 0.00 C ATOM 429 O GLY A 23 8.795 -2.575 -13.265 1.00 0.00 O ATOM 0 H GLY A 23 6.207 -2.327 -14.001 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.704 -5.040 -12.793 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.315 -4.595 -14.374 1.00 0.00 H new ATOM 433 N GLY A 24 8.661 -4.008 -11.601 1.00 0.00 N ATOM 434 CA GLY A 24 9.833 -3.395 -10.908 1.00 0.00 C ATOM 435 C GLY A 24 10.878 -4.473 -10.616 1.00 0.00 C ATOM 436 O GLY A 24 10.584 -5.652 -10.610 1.00 0.00 O ATOM 0 H GLY A 24 8.239 -4.802 -11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.267 -2.612 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.513 -2.923 -9.979 1.00 0.00 H new ATOM 440 N PRO A 25 12.094 -4.062 -10.377 1.00 0.00 N ATOM 441 CA PRO A 25 13.221 -4.995 -10.079 1.00 0.00 C ATOM 442 C PRO A 25 12.987 -5.802 -8.798 1.00 0.00 C ATOM 443 O PRO A 25 13.583 -6.841 -8.594 1.00 0.00 O ATOM 444 CB PRO A 25 14.440 -4.078 -9.918 1.00 0.00 C ATOM 445 CG PRO A 25 13.894 -2.707 -9.688 1.00 0.00 C ATOM 446 CD PRO A 25 12.526 -2.659 -10.364 1.00 0.00 C ATOM 0 HA PRO A 25 13.341 -5.736 -10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 25 15.061 -4.397 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.068 -4.104 -10.808 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.806 -2.500 -8.622 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.559 -1.951 -10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.828 -2.030 -9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.592 -2.251 -11.373 1.00 0.00 H new ATOM 454 N HIS A 26 12.130 -5.331 -7.933 1.00 0.00 N ATOM 455 CA HIS A 26 11.868 -6.072 -6.665 1.00 0.00 C ATOM 456 C HIS A 26 13.188 -6.268 -5.914 1.00 0.00 C ATOM 457 O HIS A 26 13.455 -7.325 -5.378 1.00 0.00 O ATOM 458 CB HIS A 26 11.270 -7.446 -6.980 1.00 0.00 C ATOM 459 CG HIS A 26 10.096 -7.300 -7.901 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.946 -6.611 -7.541 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.874 -7.771 -9.164 1.00 0.00 C ATOM 462 CE1 HIS A 26 8.089 -6.690 -8.578 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.610 -7.386 -9.590 1.00 0.00 N ATOM 0 H HIS A 26 11.601 -4.467 -8.049 1.00 0.00 H new ATOM 0 HA HIS A 26 11.169 -5.501 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.026 -8.083 -7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.959 -7.936 -6.057 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.780 -6.133 -6.655 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.575 -8.354 -9.743 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.105 -6.246 -8.589 1.00 0.00 H new ATOM 472 N LYS A 27 14.024 -5.266 -5.882 1.00 0.00 N ATOM 473 CA LYS A 27 15.329 -5.411 -5.179 1.00 0.00 C ATOM 474 C LYS A 27 15.078 -5.833 -3.737 1.00 0.00 C ATOM 475 O LYS A 27 15.676 -6.764 -3.232 1.00 0.00 O ATOM 476 CB LYS A 27 16.039 -4.061 -5.177 1.00 0.00 C ATOM 477 CG LYS A 27 16.161 -3.558 -6.611 1.00 0.00 C ATOM 478 CD LYS A 27 16.993 -2.275 -6.636 1.00 0.00 C ATOM 479 CE LYS A 27 16.999 -1.699 -8.053 1.00 0.00 C ATOM 480 NZ LYS A 27 18.028 -0.623 -8.148 1.00 0.00 N ATOM 0 H LYS A 27 13.860 -4.356 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 27 15.940 -6.159 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.482 -3.344 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.027 -4.157 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.629 -4.319 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.171 -3.370 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.580 -1.547 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.013 -2.484 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.213 -2.486 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.015 -1.299 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.032 -0.231 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.805 0.132 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.965 -1.019 -7.931 1.00 0.00 H new ATOM 494 N VAL A 28 14.192 -5.153 -3.072 1.00 0.00 N ATOM 495 CA VAL A 28 13.887 -5.505 -1.656 1.00 0.00 C ATOM 496 C VAL A 28 12.694 -6.461 -1.611 1.00 0.00 C ATOM 497 O VAL A 28 12.839 -7.640 -1.354 1.00 0.00 O ATOM 498 CB VAL A 28 13.556 -4.234 -0.875 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.903 -4.437 0.602 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.372 -3.066 -1.433 1.00 0.00 C ATOM 0 H VAL A 28 13.663 -4.366 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 28 14.754 -5.990 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 28 12.493 -4.015 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.667 -3.530 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.323 -5.269 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.966 -4.656 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.136 -2.159 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.435 -3.286 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.126 -2.920 -2.485 1.00 0.00 H new ATOM 510 N GLY A 29 11.515 -5.957 -1.858 1.00 0.00 N ATOM 511 CA GLY A 29 10.302 -6.824 -1.832 1.00 0.00 C ATOM 512 C GLY A 29 9.523 -6.639 -3.133 1.00 0.00 C ATOM 513 O GLY A 29 9.875 -5.827 -3.966 1.00 0.00 O ATOM 0 H GLY A 29 11.339 -4.977 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.590 -7.868 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.675 -6.566 -0.979 1.00 0.00 H new ATOM 517 N PRO A 30 8.469 -7.388 -3.305 1.00 0.00 N ATOM 518 CA PRO A 30 7.626 -7.303 -4.527 1.00 0.00 C ATOM 519 C PRO A 30 7.171 -5.865 -4.788 1.00 0.00 C ATOM 520 O PRO A 30 6.917 -5.111 -3.872 1.00 0.00 O ATOM 521 CB PRO A 30 6.419 -8.200 -4.234 1.00 0.00 C ATOM 522 CG PRO A 30 6.773 -9.034 -3.043 1.00 0.00 C ATOM 523 CD PRO A 30 7.975 -8.387 -2.350 1.00 0.00 C ATOM 0 HA PRO A 30 8.173 -7.616 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.532 -7.599 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.190 -8.831 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.928 -9.098 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.013 -10.052 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.685 -7.923 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.742 -9.126 -2.119 1.00 0.00 H new ATOM 531 N ASN A 31 7.073 -5.476 -6.031 1.00 0.00 N ATOM 532 CA ASN A 31 6.644 -4.084 -6.337 1.00 0.00 C ATOM 533 C ASN A 31 5.174 -4.086 -6.756 1.00 0.00 C ATOM 534 O ASN A 31 4.766 -4.834 -7.621 1.00 0.00 O ATOM 535 CB ASN A 31 7.505 -3.529 -7.470 1.00 0.00 C ATOM 536 CG ASN A 31 8.978 -3.823 -7.179 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.720 -4.201 -8.064 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.435 -3.667 -5.966 1.00 0.00 N ATOM 0 H ASN A 31 7.271 -6.060 -6.843 1.00 0.00 H new ATOM 0 HA ASN A 31 6.764 -3.458 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.213 -3.980 -8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.349 -2.455 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.415 -3.862 -5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.812 -3.350 -5.223 1.00 0.00 H new ATOM 545 N LEU A 32 4.367 -3.270 -6.127 1.00 0.00 N ATOM 546 CA LEU A 32 2.921 -3.246 -6.467 1.00 0.00 C ATOM 547 C LEU A 32 2.566 -2.005 -7.289 1.00 0.00 C ATOM 548 O LEU A 32 3.329 -1.066 -7.402 1.00 0.00 O ATOM 549 CB LEU A 32 2.096 -3.218 -5.184 1.00 0.00 C ATOM 550 CG LEU A 32 2.921 -3.722 -3.998 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.001 -3.886 -2.787 1.00 0.00 C ATOM 552 CD2 LEU A 32 3.558 -5.074 -4.332 1.00 0.00 C ATOM 0 H LEU A 32 4.651 -2.621 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 32 2.701 -4.139 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.753 -2.202 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.207 -3.837 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 32 3.710 -3.003 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.580 -4.245 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.550 -2.925 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.216 -4.605 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.142 -5.421 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.776 -5.799 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.210 -4.965 -5.199 1.00 0.00 H new ATOM 564 N HIS A 33 1.388 -2.011 -7.846 1.00 0.00 N ATOM 565 CA HIS A 33 0.900 -0.865 -8.659 1.00 0.00 C ATOM 566 C HIS A 33 -0.483 -1.217 -9.200 1.00 0.00 C ATOM 567 O HIS A 33 -0.627 -2.070 -10.054 1.00 0.00 O ATOM 568 CB HIS A 33 1.856 -0.603 -9.825 1.00 0.00 C ATOM 569 CG HIS A 33 1.207 0.352 -10.788 1.00 0.00 C ATOM 570 ND1 HIS A 33 0.671 -0.067 -11.998 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.992 1.709 -10.732 1.00 0.00 C ATOM 572 CE1 HIS A 33 0.165 1.018 -12.615 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.336 2.122 -11.885 1.00 0.00 N ATOM 0 H HIS A 33 0.727 -2.784 -7.769 1.00 0.00 H new ATOM 0 HA HIS A 33 0.850 0.033 -8.043 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.793 -0.186 -9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.099 -1.538 -10.329 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.287 2.354 -9.918 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.319 0.997 -13.580 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.046 3.070 -12.124 1.00 0.00 H new ATOM 582 N GLY A 34 -1.504 -0.578 -8.705 1.00 0.00 N ATOM 583 CA GLY A 34 -2.876 -0.891 -9.185 1.00 0.00 C ATOM 584 C GLY A 34 -3.544 -1.863 -8.210 1.00 0.00 C ATOM 585 O GLY A 34 -4.631 -2.350 -8.454 1.00 0.00 O ATOM 0 H GLY A 34 -1.448 0.147 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.463 0.024 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.834 -1.330 -10.182 1.00 0.00 H new ATOM 589 N ILE A 35 -2.912 -2.142 -7.100 1.00 0.00 N ATOM 590 CA ILE A 35 -3.527 -3.076 -6.114 1.00 0.00 C ATOM 591 C ILE A 35 -4.935 -2.587 -5.791 1.00 0.00 C ATOM 592 O ILE A 35 -5.835 -3.367 -5.543 1.00 0.00 O ATOM 593 CB ILE A 35 -2.697 -3.098 -4.828 1.00 0.00 C ATOM 594 CG1 ILE A 35 -1.269 -3.565 -5.122 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.339 -4.048 -3.822 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.295 -4.886 -5.898 1.00 0.00 C ATOM 0 H ILE A 35 -2.002 -1.765 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.561 -4.081 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.664 -2.089 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.742 -2.806 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.721 -3.694 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.747 -4.063 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.350 -3.709 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.379 -5.052 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.274 -5.209 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.804 -5.646 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.825 -4.744 -6.840 1.00 0.00 H new ATOM 608 N PHE A 36 -5.133 -1.303 -5.800 1.00 0.00 N ATOM 609 CA PHE A 36 -6.481 -0.759 -5.502 1.00 0.00 C ATOM 610 C PHE A 36 -7.514 -1.490 -6.367 1.00 0.00 C ATOM 611 O PHE A 36 -7.413 -1.516 -7.577 1.00 0.00 O ATOM 612 CB PHE A 36 -6.497 0.733 -5.841 1.00 0.00 C ATOM 613 CG PHE A 36 -5.682 1.510 -4.827 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.277 1.472 -4.857 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.338 2.290 -3.866 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.540 2.214 -3.923 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.601 3.028 -2.935 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.203 2.992 -2.964 1.00 0.00 C ATOM 0 H PHE A 36 -4.417 -0.605 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.720 -0.900 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.092 0.890 -6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.523 1.100 -5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.767 0.873 -5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.417 2.321 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.461 2.186 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.111 3.626 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.634 3.564 -2.247 1.00 0.00 H new ATOM 628 N GLY A 37 -8.502 -2.089 -5.757 1.00 0.00 N ATOM 629 CA GLY A 37 -9.533 -2.819 -6.551 1.00 0.00 C ATOM 630 C GLY A 37 -8.974 -4.174 -7.000 1.00 0.00 C ATOM 631 O GLY A 37 -9.386 -4.722 -8.003 1.00 0.00 O ATOM 0 H GLY A 37 -8.640 -2.105 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.431 -2.966 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.823 -2.228 -7.420 1.00 0.00 H new ATOM 635 N ARG A 38 -8.038 -4.715 -6.269 1.00 0.00 N ATOM 636 CA ARG A 38 -7.448 -6.030 -6.655 1.00 0.00 C ATOM 637 C ARG A 38 -7.315 -6.903 -5.403 1.00 0.00 C ATOM 638 O ARG A 38 -7.391 -6.420 -4.293 1.00 0.00 O ATOM 639 CB ARG A 38 -6.065 -5.796 -7.277 1.00 0.00 C ATOM 640 CG ARG A 38 -5.520 -7.096 -7.883 1.00 0.00 C ATOM 641 CD ARG A 38 -6.459 -7.597 -8.985 1.00 0.00 C ATOM 642 NE ARG A 38 -7.128 -6.439 -9.639 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.533 -5.805 -10.613 1.00 0.00 C ATOM 644 NH1 ARG A 38 -5.349 -6.184 -11.011 1.00 0.00 N ATOM 645 NH2 ARG A 38 -7.122 -4.792 -11.189 1.00 0.00 N ATOM 0 H ARG A 38 -7.655 -4.302 -5.419 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.089 -6.532 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.132 -5.029 -8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.376 -5.425 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.524 -6.926 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.420 -7.855 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.897 -8.169 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.206 -8.269 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.052 -6.141 -9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.889 -6.975 -10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.884 -5.689 -11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.047 -4.496 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.657 -4.297 -11.950 1.00 0.00 H new ATOM 659 N HIS A 39 -7.116 -8.182 -5.564 1.00 0.00 N ATOM 660 CA HIS A 39 -6.975 -9.061 -4.371 1.00 0.00 C ATOM 661 C HIS A 39 -5.518 -9.065 -3.920 1.00 0.00 C ATOM 662 O HIS A 39 -4.606 -9.022 -4.721 1.00 0.00 O ATOM 663 CB HIS A 39 -7.414 -10.484 -4.716 1.00 0.00 C ATOM 664 CG HIS A 39 -8.895 -10.616 -4.485 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.831 -10.236 -5.434 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.619 -11.080 -3.413 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.052 -10.477 -4.924 1.00 0.00 C ATOM 668 NE2 HIS A 39 -10.977 -10.990 -3.696 1.00 0.00 N ATOM 0 H HIS A 39 -7.045 -8.654 -6.465 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.606 -8.684 -3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.175 -10.709 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.873 -11.203 -4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.198 -11.457 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.978 -10.280 -5.444 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.753 -11.260 -3.091 1.00 0.00 H new ATOM 677 N SER A 40 -5.295 -9.098 -2.638 1.00 0.00 N ATOM 678 CA SER A 40 -3.900 -9.085 -2.126 1.00 0.00 C ATOM 679 C SER A 40 -3.160 -10.331 -2.599 1.00 0.00 C ATOM 680 O SER A 40 -3.705 -11.414 -2.655 1.00 0.00 O ATOM 681 CB SER A 40 -3.922 -9.062 -0.600 1.00 0.00 C ATOM 682 OG SER A 40 -2.682 -8.562 -0.120 1.00 0.00 O ATOM 0 H SER A 40 -6.020 -9.133 -1.922 1.00 0.00 H new ATOM 0 HA SER A 40 -3.389 -8.199 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.741 -8.436 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.097 -10.066 -0.212 1.00 0.00 H new ATOM 0 HG SER A 40 -2.011 -9.276 -0.141 1.00 0.00 H new ATOM 688 N GLY A 41 -1.913 -10.184 -2.926 1.00 0.00 N ATOM 689 CA GLY A 41 -1.121 -11.354 -3.383 1.00 0.00 C ATOM 690 C GLY A 41 -1.065 -11.384 -4.909 1.00 0.00 C ATOM 691 O GLY A 41 -0.427 -12.238 -5.493 1.00 0.00 O ATOM 0 H GLY A 41 -1.404 -9.300 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.112 -11.302 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.569 -12.275 -3.009 1.00 0.00 H new ATOM 695 N GLN A 42 -1.717 -10.462 -5.562 1.00 0.00 N ATOM 696 CA GLN A 42 -1.685 -10.450 -7.052 1.00 0.00 C ATOM 697 C GLN A 42 -0.731 -9.355 -7.534 1.00 0.00 C ATOM 698 O GLN A 42 -0.949 -8.182 -7.304 1.00 0.00 O ATOM 699 CB GLN A 42 -3.094 -10.188 -7.585 1.00 0.00 C ATOM 700 CG GLN A 42 -3.989 -11.376 -7.233 1.00 0.00 C ATOM 701 CD GLN A 42 -5.418 -11.100 -7.705 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.768 -9.972 -7.991 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.263 -12.090 -7.801 1.00 0.00 N ATOM 0 H GLN A 42 -2.268 -9.720 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.335 -11.414 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.496 -9.272 -7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.067 -10.044 -8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.609 -12.283 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.977 -11.547 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.969 -13.037 -7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.218 -11.917 -8.116 1.00 0.00 H new ATOM 712 N ALA A 43 0.324 -9.730 -8.207 1.00 0.00 N ATOM 713 CA ALA A 43 1.291 -8.715 -8.710 1.00 0.00 C ATOM 714 C ALA A 43 1.825 -9.149 -10.076 1.00 0.00 C ATOM 715 O ALA A 43 1.958 -10.322 -10.360 1.00 0.00 O ATOM 716 CB ALA A 43 2.460 -8.583 -7.729 1.00 0.00 C ATOM 0 H ALA A 43 0.557 -10.698 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 43 0.785 -7.754 -8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.165 -7.839 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.084 -8.271 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.964 -9.545 -7.632 1.00 0.00 H new ATOM 722 N GLU A 44 2.136 -8.207 -10.923 1.00 0.00 N ATOM 723 CA GLU A 44 2.665 -8.556 -12.269 1.00 0.00 C ATOM 724 C GLU A 44 4.191 -8.632 -12.210 1.00 0.00 C ATOM 725 O GLU A 44 4.803 -9.513 -12.783 1.00 0.00 O ATOM 726 CB GLU A 44 2.245 -7.483 -13.276 1.00 0.00 C ATOM 727 CG GLU A 44 0.719 -7.452 -13.381 1.00 0.00 C ATOM 728 CD GLU A 44 0.299 -6.426 -14.435 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.159 -5.692 -14.895 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.875 -6.391 -14.766 1.00 0.00 O ATOM 0 H GLU A 44 2.046 -7.208 -10.739 1.00 0.00 H new ATOM 0 HA GLU A 44 2.264 -9.521 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.619 -6.508 -12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.683 -7.693 -14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.343 -8.439 -13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.283 -7.196 -12.415 1.00 0.00 H new ATOM 737 N GLY A 45 4.811 -7.712 -11.522 1.00 0.00 N ATOM 738 CA GLY A 45 6.297 -7.728 -11.428 1.00 0.00 C ATOM 739 C GLY A 45 6.753 -9.019 -10.748 1.00 0.00 C ATOM 740 O GLY A 45 7.508 -9.791 -11.305 1.00 0.00 O ATOM 0 H GLY A 45 4.352 -6.951 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.735 -7.655 -12.423 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.645 -6.864 -10.862 1.00 0.00 H new ATOM 744 N TYR A 46 6.299 -9.265 -9.548 1.00 0.00 N ATOM 745 CA TYR A 46 6.710 -10.512 -8.846 1.00 0.00 C ATOM 746 C TYR A 46 5.563 -11.046 -7.997 1.00 0.00 C ATOM 747 O TYR A 46 4.841 -10.301 -7.365 1.00 0.00 O ATOM 748 CB TYR A 46 7.920 -10.229 -7.951 1.00 0.00 C ATOM 749 CG TYR A 46 8.057 -11.326 -6.918 1.00 0.00 C ATOM 750 CD1 TYR A 46 8.007 -12.671 -7.305 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.231 -10.994 -5.568 1.00 0.00 C ATOM 752 CE1 TYR A 46 8.129 -13.682 -6.343 1.00 0.00 C ATOM 753 CE2 TYR A 46 8.354 -12.004 -4.606 1.00 0.00 C ATOM 754 CZ TYR A 46 8.303 -13.348 -4.994 1.00 0.00 C ATOM 755 OH TYR A 46 8.422 -14.346 -4.047 1.00 0.00 O ATOM 0 H TYR A 46 5.665 -8.659 -9.027 1.00 0.00 H new ATOM 0 HA TYR A 46 6.976 -11.260 -9.592 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.825 -10.170 -8.555 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.802 -9.264 -7.458 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.874 -12.929 -8.345 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.270 -9.957 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.089 -14.719 -6.642 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.488 -11.746 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 46 8.538 -13.944 -3.161 1.00 0.00 H new ATOM 765 N SER A 47 5.398 -12.340 -7.969 1.00 0.00 N ATOM 766 CA SER A 47 4.308 -12.929 -7.152 1.00 0.00 C ATOM 767 C SER A 47 4.637 -12.735 -5.673 1.00 0.00 C ATOM 768 O SER A 47 5.769 -12.871 -5.252 1.00 0.00 O ATOM 769 CB SER A 47 4.190 -14.422 -7.457 1.00 0.00 C ATOM 770 OG SER A 47 3.837 -14.594 -8.824 1.00 0.00 O ATOM 0 H SER A 47 5.972 -13.012 -8.478 1.00 0.00 H new ATOM 0 HA SER A 47 3.364 -12.439 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.135 -14.924 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.437 -14.878 -6.814 1.00 0.00 H new ATOM 0 HG SER A 47 3.762 -15.550 -9.025 1.00 0.00 H new ATOM 776 N TYR A 48 3.655 -12.416 -4.885 1.00 0.00 N ATOM 777 CA TYR A 48 3.896 -12.209 -3.430 1.00 0.00 C ATOM 778 C TYR A 48 4.378 -13.507 -2.780 1.00 0.00 C ATOM 779 O TYR A 48 4.594 -14.506 -3.437 1.00 0.00 O ATOM 780 CB TYR A 48 2.594 -11.780 -2.767 1.00 0.00 C ATOM 781 CG TYR A 48 2.257 -10.365 -3.165 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.641 -10.107 -4.395 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.556 -9.311 -2.297 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.324 -8.791 -4.754 1.00 0.00 C ATOM 785 CE2 TYR A 48 2.239 -7.997 -2.654 1.00 0.00 C ATOM 786 CZ TYR A 48 1.621 -7.736 -3.883 1.00 0.00 C ATOM 787 OH TYR A 48 1.305 -6.440 -4.237 1.00 0.00 O ATOM 0 H TYR A 48 2.689 -12.288 -5.185 1.00 0.00 H new ATOM 0 HA TYR A 48 4.659 -11.441 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.787 -12.452 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.687 -11.850 -1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.411 -10.921 -5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.033 -9.512 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.850 -8.590 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.471 -7.184 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 48 1.437 -6.323 -5.201 1.00 0.00 H new ATOM 797 N THR A 49 4.538 -13.492 -1.484 1.00 0.00 N ATOM 798 CA THR A 49 4.995 -14.713 -0.764 1.00 0.00 C ATOM 799 C THR A 49 3.864 -15.744 -0.760 1.00 0.00 C ATOM 800 O THR A 49 2.699 -15.400 -0.720 1.00 0.00 O ATOM 801 CB THR A 49 5.360 -14.348 0.676 1.00 0.00 C ATOM 802 OG1 THR A 49 6.320 -13.300 0.667 1.00 0.00 O ATOM 803 CG2 THR A 49 5.943 -15.570 1.386 1.00 0.00 C ATOM 0 H THR A 49 4.370 -12.680 -0.890 1.00 0.00 H new ATOM 0 HA THR A 49 5.870 -15.130 -1.263 1.00 0.00 H new ATOM 0 HB THR A 49 4.465 -14.019 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.028 -12.584 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.202 -15.306 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.206 -16.373 1.393 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.838 -15.904 0.860 1.00 0.00 H new ATOM 811 N ASP A 50 4.194 -17.004 -0.809 1.00 0.00 N ATOM 812 CA ASP A 50 3.138 -18.051 -0.818 1.00 0.00 C ATOM 813 C ASP A 50 2.154 -17.811 0.330 1.00 0.00 C ATOM 814 O ASP A 50 0.965 -18.016 0.191 1.00 0.00 O ATOM 815 CB ASP A 50 3.792 -19.423 -0.651 1.00 0.00 C ATOM 816 CG ASP A 50 4.599 -19.761 -1.905 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.456 -19.050 -2.887 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.345 -20.725 -1.863 1.00 0.00 O ATOM 0 H ASP A 50 5.152 -17.354 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 50 2.597 -18.011 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.442 -19.423 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.029 -20.183 -0.481 1.00 0.00 H new ATOM 823 N ALA A 51 2.635 -17.379 1.465 1.00 0.00 N ATOM 824 CA ALA A 51 1.713 -17.134 2.611 1.00 0.00 C ATOM 825 C ALA A 51 0.743 -16.003 2.258 1.00 0.00 C ATOM 826 O ALA A 51 -0.457 -16.138 2.389 1.00 0.00 O ATOM 827 CB ALA A 51 2.528 -16.739 3.844 1.00 0.00 C ATOM 0 H ALA A 51 3.620 -17.186 1.647 1.00 0.00 H new ATOM 0 HA ALA A 51 1.148 -18.042 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.855 -16.560 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.217 -17.544 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.093 -15.831 3.631 1.00 0.00 H new ATOM 833 N ASN A 52 1.255 -14.895 1.803 1.00 0.00 N ATOM 834 CA ASN A 52 0.368 -13.756 1.431 1.00 0.00 C ATOM 835 C ASN A 52 -0.584 -14.183 0.312 1.00 0.00 C ATOM 836 O ASN A 52 -1.757 -13.872 0.327 1.00 0.00 O ATOM 837 CB ASN A 52 1.228 -12.585 0.945 1.00 0.00 C ATOM 838 CG ASN A 52 0.327 -11.428 0.510 1.00 0.00 C ATOM 839 OD1 ASN A 52 -0.876 -11.488 0.666 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.861 -10.368 -0.038 1.00 0.00 N ATOM 0 H ASN A 52 2.253 -14.727 1.672 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.214 -13.452 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.897 -12.258 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.855 -12.903 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.268 -9.593 -0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.871 -10.316 -0.170 1.00 0.00 H new ATOM 847 N ILE A 53 -0.081 -14.888 -0.661 1.00 0.00 N ATOM 848 CA ILE A 53 -0.947 -15.333 -1.788 1.00 0.00 C ATOM 849 C ILE A 53 -2.016 -16.301 -1.280 1.00 0.00 C ATOM 850 O ILE A 53 -3.137 -16.299 -1.746 1.00 0.00 O ATOM 851 CB ILE A 53 -0.089 -16.024 -2.844 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.958 -15.038 -3.368 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.975 -16.493 -3.998 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.900 -15.756 -4.335 1.00 0.00 C ATOM 0 H ILE A 53 0.895 -15.176 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.438 -14.464 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 53 0.410 -16.886 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.468 -14.206 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.525 -14.618 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.361 -16.986 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.721 -17.194 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.476 -15.634 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.645 -15.053 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.400 -16.573 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.327 -16.155 -5.172 1.00 0.00 H new ATOM 866 N LYS A 54 -1.683 -17.130 -0.329 1.00 0.00 N ATOM 867 CA LYS A 54 -2.691 -18.093 0.197 1.00 0.00 C ATOM 868 C LYS A 54 -3.910 -17.324 0.705 1.00 0.00 C ATOM 869 O LYS A 54 -5.040 -17.694 0.455 1.00 0.00 O ATOM 870 CB LYS A 54 -2.080 -18.893 1.345 1.00 0.00 C ATOM 871 CG LYS A 54 -3.095 -19.921 1.847 1.00 0.00 C ATOM 872 CD LYS A 54 -2.506 -20.681 3.037 1.00 0.00 C ATOM 873 CE LYS A 54 -3.461 -21.802 3.450 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.056 -21.484 4.779 1.00 0.00 N ATOM 0 H LYS A 54 -0.761 -17.182 0.105 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.995 -18.774 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.173 -19.396 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.793 -18.224 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.018 -19.422 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.350 -20.617 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.534 -21.096 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.344 -20.000 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.249 -21.916 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.926 -22.751 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.705 -22.246 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.299 -21.396 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.580 -20.587 4.719 1.00 0.00 H new ATOM 888 N LYS A 55 -3.688 -16.250 1.411 1.00 0.00 N ATOM 889 CA LYS A 55 -4.828 -15.447 1.934 1.00 0.00 C ATOM 890 C LYS A 55 -4.910 -14.136 1.150 1.00 0.00 C ATOM 891 O LYS A 55 -3.937 -13.418 1.033 1.00 0.00 O ATOM 892 CB LYS A 55 -4.595 -15.138 3.413 1.00 0.00 C ATOM 893 CG LYS A 55 -5.898 -14.641 4.042 1.00 0.00 C ATOM 894 CD LYS A 55 -5.655 -14.294 5.512 1.00 0.00 C ATOM 895 CE LYS A 55 -6.987 -13.952 6.182 1.00 0.00 C ATOM 896 NZ LYS A 55 -6.791 -13.862 7.657 1.00 0.00 N ATOM 0 H LYS A 55 -2.763 -15.893 1.649 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.757 -16.006 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.246 -16.031 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.816 -14.383 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.262 -13.765 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.669 -15.407 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.184 -15.134 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.970 -13.450 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.368 -13.006 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.730 -14.714 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.696 -13.630 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.445 -14.774 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.095 -13.119 7.870 1.00 0.00 H new ATOM 910 N ASN A 56 -6.053 -13.813 0.609 1.00 0.00 N ATOM 911 CA ASN A 56 -6.161 -12.544 -0.162 1.00 0.00 C ATOM 912 C ASN A 56 -7.564 -11.952 -0.036 1.00 0.00 C ATOM 913 O ASN A 56 -8.540 -12.655 0.132 1.00 0.00 O ATOM 914 CB ASN A 56 -5.859 -12.815 -1.634 1.00 0.00 C ATOM 915 CG ASN A 56 -6.921 -13.753 -2.210 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.673 -14.362 -1.476 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.014 -13.896 -3.504 1.00 0.00 N ATOM 0 H ASN A 56 -6.908 -14.367 0.667 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.442 -11.831 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.845 -11.878 -2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.870 -13.262 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.718 -14.519 -3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.382 -13.384 -4.120 1.00 0.00 H new ATOM 924 N VAL A 57 -7.663 -10.655 -0.132 1.00 0.00 N ATOM 925 CA VAL A 57 -8.986 -9.985 -0.037 1.00 0.00 C ATOM 926 C VAL A 57 -9.054 -8.863 -1.070 1.00 0.00 C ATOM 927 O VAL A 57 -8.094 -8.149 -1.285 1.00 0.00 O ATOM 928 CB VAL A 57 -9.161 -9.398 1.364 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.528 -8.719 1.471 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.066 -10.516 2.406 1.00 0.00 C ATOM 0 H VAL A 57 -6.873 -10.025 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.778 -10.709 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.376 -8.664 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.650 -8.302 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.596 -7.920 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.314 -9.451 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.191 -10.095 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.848 -11.252 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.091 -10.998 2.335 1.00 0.00 H new ATOM 940 N LEU A 58 -10.179 -8.685 -1.706 1.00 0.00 N ATOM 941 CA LEU A 58 -10.284 -7.593 -2.711 1.00 0.00 C ATOM 942 C LEU A 58 -9.797 -6.300 -2.070 1.00 0.00 C ATOM 943 O LEU A 58 -10.005 -6.067 -0.896 1.00 0.00 O ATOM 944 CB LEU A 58 -11.737 -7.425 -3.144 1.00 0.00 C ATOM 945 CG LEU A 58 -11.828 -6.322 -4.200 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.101 -6.766 -5.472 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.298 -6.057 -4.525 1.00 0.00 C ATOM 0 H LEU A 58 -11.022 -9.243 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.679 -7.835 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.118 -8.363 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.357 -7.173 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.364 -5.413 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.167 -5.978 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.053 -6.962 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.564 -7.674 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.368 -5.271 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.756 -6.969 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.819 -5.742 -3.621 1.00 0.00 H new ATOM 959 N TRP A 59 -9.137 -5.462 -2.821 1.00 0.00 N ATOM 960 CA TRP A 59 -8.627 -4.200 -2.235 1.00 0.00 C ATOM 961 C TRP A 59 -9.522 -3.021 -2.602 1.00 0.00 C ATOM 962 O TRP A 59 -10.104 -2.962 -3.666 1.00 0.00 O ATOM 963 CB TRP A 59 -7.211 -3.938 -2.736 1.00 0.00 C ATOM 964 CG TRP A 59 -6.250 -4.749 -1.933 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.404 -5.681 -2.430 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.039 -4.729 -0.494 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.664 -6.211 -1.390 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.027 -5.662 -0.176 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.617 -3.992 0.557 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.603 -5.859 1.135 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.196 -4.191 1.878 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.189 -5.125 2.167 1.00 0.00 C ATOM 0 H TRP A 59 -8.932 -5.599 -3.811 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.624 -4.305 -1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.132 -4.198 -3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.972 -2.878 -2.650 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.321 -5.964 -3.469 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.940 -6.920 -1.505 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.390 -3.269 0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.825 -6.576 1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.648 -3.623 2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.868 -5.275 3.187 1.00 0.00 H new ATOM 983 N ASP A 60 -9.619 -2.073 -1.712 1.00 0.00 N ATOM 984 CA ASP A 60 -10.453 -0.871 -1.965 1.00 0.00 C ATOM 985 C ASP A 60 -9.803 0.322 -1.263 1.00 0.00 C ATOM 986 O ASP A 60 -8.986 0.159 -0.378 1.00 0.00 O ATOM 987 CB ASP A 60 -11.860 -1.095 -1.407 1.00 0.00 C ATOM 988 CG ASP A 60 -12.776 0.046 -1.856 1.00 0.00 C ATOM 989 OD1 ASP A 60 -13.301 -0.041 -2.954 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.937 0.986 -1.096 1.00 0.00 O ATOM 0 H ASP A 60 -9.148 -2.083 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.525 -0.682 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.253 -2.050 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.828 -1.142 -0.319 1.00 0.00 H new ATOM 995 N GLU A 61 -10.147 1.517 -1.645 1.00 0.00 N ATOM 996 CA GLU A 61 -9.532 2.705 -0.993 1.00 0.00 C ATOM 997 C GLU A 61 -9.719 2.604 0.523 1.00 0.00 C ATOM 998 O GLU A 61 -8.861 2.990 1.292 1.00 0.00 O ATOM 999 CB GLU A 61 -10.222 3.970 -1.507 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.021 4.080 -3.019 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.682 5.358 -3.535 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.304 6.043 -2.739 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.554 5.630 -4.717 1.00 0.00 O ATOM 0 H GLU A 61 -10.825 1.724 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.468 2.745 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.286 3.938 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.812 4.849 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.957 4.089 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.450 3.211 -3.517 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.835 2.088 0.956 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.078 1.961 2.422 1.00 0.00 C ATOM 1012 C ASN A 62 -10.349 0.731 2.976 1.00 0.00 C ATOM 1013 O ASN A 62 -9.680 0.800 3.987 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.580 1.816 2.675 1.00 0.00 C ATOM 1015 CG ASN A 62 -12.878 2.091 4.150 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.053 2.630 4.858 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.034 1.740 4.645 1.00 0.00 N ATOM 0 H ASN A 62 -11.590 1.749 0.360 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.701 2.853 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.134 2.512 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.909 0.812 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.244 1.919 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.727 1.287 4.050 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.484 -0.397 2.329 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.808 -1.629 2.832 1.00 0.00 C ATOM 1026 C ASN A 63 -8.294 -1.419 2.881 1.00 0.00 C ATOM 1027 O ASN A 63 -7.632 -1.802 3.827 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.126 -2.800 1.899 1.00 0.00 C ATOM 1029 CG ASN A 63 -9.688 -4.110 2.557 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -9.154 -4.106 3.648 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -9.894 -5.238 1.936 1.00 0.00 N ATOM 0 H ASN A 63 -11.031 -0.518 1.477 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.170 -1.846 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.194 -2.828 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.613 -2.670 0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.607 -6.117 2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.342 -5.241 1.020 1.00 0.00 H new ATOM 1038 N MET A 64 -7.738 -0.813 1.873 1.00 0.00 N ATOM 1039 CA MET A 64 -6.271 -0.582 1.866 1.00 0.00 C ATOM 1040 C MET A 64 -5.884 0.291 3.058 1.00 0.00 C ATOM 1041 O MET A 64 -4.822 0.141 3.629 1.00 0.00 O ATOM 1042 CB MET A 64 -5.869 0.110 0.564 1.00 0.00 C ATOM 1043 CG MET A 64 -6.003 -0.872 -0.601 1.00 0.00 C ATOM 1044 SD MET A 64 -5.068 -0.249 -2.020 1.00 0.00 S ATOM 1045 CE MET A 64 -3.411 -0.639 -1.392 1.00 0.00 C ATOM 0 H MET A 64 -8.237 -0.468 1.053 1.00 0.00 H new ATOM 0 HA MET A 64 -5.752 -1.538 1.939 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.501 0.981 0.393 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.842 0.470 0.633 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.631 -1.854 -0.309 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.052 -0.996 -0.868 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.744 -0.847 -2.229 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.028 0.210 -0.825 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.464 -1.514 -0.744 1.00 0.00 H new ATOM 1055 N SER A 65 -6.736 1.200 3.444 1.00 0.00 N ATOM 1056 CA SER A 65 -6.407 2.073 4.603 1.00 0.00 C ATOM 1057 C SER A 65 -6.079 1.195 5.812 1.00 0.00 C ATOM 1058 O SER A 65 -5.166 1.472 6.570 1.00 0.00 O ATOM 1059 CB SER A 65 -7.614 2.957 4.924 1.00 0.00 C ATOM 1060 OG SER A 65 -8.002 3.664 3.754 1.00 0.00 O ATOM 0 H SER A 65 -7.642 1.375 3.009 1.00 0.00 H new ATOM 0 HA SER A 65 -5.549 2.702 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.441 2.346 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.364 3.658 5.721 1.00 0.00 H new ATOM 0 HG SER A 65 -8.502 3.065 3.160 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.809 0.128 5.992 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.534 -0.774 7.143 1.00 0.00 C ATOM 1068 C GLU A 66 -5.147 -1.395 6.978 1.00 0.00 C ATOM 1069 O GLU A 66 -4.422 -1.581 7.935 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.586 -1.884 7.185 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.963 -1.275 7.453 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.005 -2.391 7.550 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.663 -3.522 7.244 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.127 -2.097 7.929 1.00 0.00 O ATOM 0 H GLU A 66 -7.583 -0.157 5.392 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.572 -0.203 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.595 -2.427 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.338 -2.605 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.944 -0.699 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.228 -0.584 6.653 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.771 -1.718 5.770 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.430 -2.330 5.552 1.00 0.00 C ATOM 1083 C TYR A 67 -2.339 -1.346 5.973 1.00 0.00 C ATOM 1084 O TYR A 67 -1.378 -1.710 6.620 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.243 -2.664 4.075 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.944 -3.411 3.907 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.917 -4.809 4.005 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.761 -2.705 3.665 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.707 -5.496 3.859 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.447 -3.393 3.520 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.475 -4.787 3.617 1.00 0.00 C ATOM 1092 OH TYR A 67 1.668 -5.464 3.472 1.00 0.00 O ATOM 0 H TYR A 67 -5.332 -1.585 4.929 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.361 -3.241 6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.076 -3.269 3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.233 -1.751 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.829 -5.355 4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.781 -1.628 3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.685 -6.573 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.360 -2.847 3.333 1.00 0.00 H new ATOM 0 HH TYR A 67 2.002 -5.730 4.354 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.470 -0.105 5.600 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.431 0.891 5.967 1.00 0.00 C ATOM 1104 C LEU A 68 -1.176 0.841 7.473 1.00 0.00 C ATOM 1105 O LEU A 68 -0.054 0.963 7.923 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.911 2.287 5.581 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.283 2.308 4.095 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.628 3.737 3.673 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.099 1.811 3.266 1.00 0.00 C ATOM 0 H LEU A 68 -3.252 0.261 5.057 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.507 0.660 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.773 2.567 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.129 3.020 5.781 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.144 1.660 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.892 3.750 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.471 4.097 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.767 4.384 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.363 1.826 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.239 2.460 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.849 0.793 3.563 1.00 0.00 H new ATOM 1121 N THR A 69 -2.198 0.658 8.259 1.00 0.00 N ATOM 1122 CA THR A 69 -1.989 0.598 9.731 1.00 0.00 C ATOM 1123 C THR A 69 -1.028 -0.549 10.049 1.00 0.00 C ATOM 1124 O THR A 69 -0.178 -0.443 10.911 1.00 0.00 O ATOM 1125 CB THR A 69 -3.330 0.354 10.422 1.00 0.00 C ATOM 1126 OG1 THR A 69 -3.819 -0.931 10.063 1.00 0.00 O ATOM 1127 CG2 THR A 69 -4.333 1.424 9.989 1.00 0.00 C ATOM 0 H THR A 69 -3.163 0.548 7.949 1.00 0.00 H new ATOM 0 HA THR A 69 -1.567 1.538 10.087 1.00 0.00 H new ATOM 0 HB THR A 69 -3.196 0.403 11.503 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.792 -1.031 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.289 1.248 10.483 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.957 2.409 10.266 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.469 1.379 8.909 1.00 0.00 H new ATOM 1135 N ASN A 70 -1.150 -1.642 9.346 1.00 0.00 N ATOM 1136 CA ASN A 70 -0.241 -2.798 9.587 1.00 0.00 C ATOM 1137 C ASN A 70 0.048 -3.485 8.254 1.00 0.00 C ATOM 1138 O ASN A 70 -0.850 -3.772 7.488 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.907 -3.793 10.536 1.00 0.00 C ATOM 1140 CG ASN A 70 0.147 -4.756 11.086 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.305 -4.678 10.727 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -0.208 -5.669 11.947 1.00 0.00 N ATOM 0 H ASN A 70 -1.844 -1.784 8.612 1.00 0.00 H new ATOM 0 HA ASN A 70 0.688 -2.445 10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.393 -3.262 11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.684 -4.348 10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.486 -6.317 12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.180 -5.735 12.249 1.00 0.00 H new ATOM 1149 N HIS A 71 1.289 -3.753 7.963 1.00 0.00 N ATOM 1150 CA HIS A 71 1.609 -4.415 6.671 1.00 0.00 C ATOM 1151 C HIS A 71 0.866 -5.747 6.576 1.00 0.00 C ATOM 1152 O HIS A 71 0.930 -6.430 5.575 1.00 0.00 O ATOM 1153 CB HIS A 71 3.117 -4.656 6.561 1.00 0.00 C ATOM 1154 CG HIS A 71 3.682 -3.764 5.489 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.976 -2.427 5.725 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.994 -3.989 4.166 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.440 -1.904 4.574 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.469 -2.812 3.603 1.00 0.00 N ATOM 0 H HIS A 71 2.090 -3.544 8.559 1.00 0.00 H new ATOM 0 HA HIS A 71 1.294 -3.766 5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.601 -4.450 7.515 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.314 -5.701 6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.886 -4.931 3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.750 -0.876 4.455 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.777 -2.672 2.641 1.00 0.00 H new ATOM 1166 N ALA A 72 0.169 -6.131 7.609 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.563 -7.427 7.563 1.00 0.00 C ATOM 1168 C ALA A 72 -1.750 -7.395 8.526 1.00 0.00 C ATOM 1169 O ALA A 72 -1.957 -8.307 9.302 1.00 0.00 O ATOM 1170 CB ALA A 72 0.386 -8.543 7.973 1.00 0.00 C ATOM 0 H ALA A 72 0.075 -5.607 8.479 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.932 -7.598 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.140 -9.497 7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.231 -8.573 7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.748 -8.360 8.985 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.530 -6.355 8.483 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.704 -6.267 9.398 1.00 0.00 C ATOM 1178 C LYS A 73 -4.639 -7.454 9.148 1.00 0.00 C ATOM 1179 O LYS A 73 -5.132 -8.073 10.070 1.00 0.00 O ATOM 1180 CB LYS A 73 -4.461 -4.960 9.132 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.583 -4.780 10.161 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.005 -4.241 11.474 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.149 -3.844 12.409 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.870 -4.356 13.781 1.00 0.00 N ATOM 0 H LYS A 73 -2.408 -5.561 7.855 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.359 -6.287 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.773 -4.116 9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.879 -4.972 8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.335 -4.092 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.083 -5.732 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.380 -4.999 11.947 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.367 -3.380 11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.257 -2.760 12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.091 -4.251 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.647 -4.086 14.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.788 -5.392 13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.980 -3.947 14.130 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.884 -7.775 7.903 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.786 -8.920 7.581 1.00 0.00 C ATOM 1200 C TYR A 74 -5.031 -9.956 6.748 1.00 0.00 C ATOM 1201 O TYR A 74 -5.619 -10.867 6.199 1.00 0.00 O ATOM 1202 CB TYR A 74 -6.983 -8.411 6.775 1.00 0.00 C ATOM 1203 CG TYR A 74 -8.034 -7.860 7.706 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.924 -6.555 8.201 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -9.126 -8.657 8.069 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.905 -6.048 9.060 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -10.106 -8.151 8.927 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.998 -6.846 9.424 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.965 -6.347 10.270 1.00 0.00 O ATOM 0 H TYR A 74 -4.496 -7.291 7.093 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.129 -9.378 8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.660 -7.637 6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.402 -9.222 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.082 -5.940 7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.211 -9.663 7.686 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.820 -5.042 9.443 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.948 -8.767 9.207 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.653 -7.029 10.419 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.739 -9.820 6.634 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.962 -10.794 5.816 1.00 0.00 C ATOM 1221 C ILE A 75 -1.672 -11.179 6.540 1.00 0.00 C ATOM 1222 O ILE A 75 -0.600 -10.758 6.165 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.617 -10.147 4.476 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -3.904 -9.660 3.808 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -1.928 -11.166 3.569 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -3.570 -9.036 2.454 1.00 0.00 C ATOM 0 H ILE A 75 -3.189 -9.080 7.070 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.559 -11.692 5.658 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.945 -9.305 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.595 -10.492 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.403 -8.929 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.685 -10.698 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.012 -11.516 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.595 -12.011 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.487 -8.689 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.894 -8.193 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.090 -9.781 1.819 1.00 0.00 H new ATOM 1238 N PRO A 76 -1.769 -11.980 7.563 1.00 0.00 N ATOM 1239 CA PRO A 76 -0.576 -12.427 8.338 1.00 0.00 C ATOM 1240 C PRO A 76 0.479 -13.068 7.434 1.00 0.00 C ATOM 1241 O PRO A 76 1.663 -12.995 7.696 1.00 0.00 O ATOM 1242 CB PRO A 76 -1.133 -13.451 9.329 1.00 0.00 C ATOM 1243 CG PRO A 76 -2.599 -13.170 9.425 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.016 -12.545 8.093 1.00 0.00 C ATOM 0 HA PRO A 76 -0.074 -11.593 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.952 -14.469 8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.652 -13.355 10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.157 -14.087 9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.810 -12.493 10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.437 -13.289 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.776 -11.776 8.233 1.00 0.00 H new ATOM 1252 N GLY A 77 0.059 -13.681 6.364 1.00 0.00 N ATOM 1253 CA GLY A 77 1.039 -14.308 5.437 1.00 0.00 C ATOM 1254 C GLY A 77 2.000 -13.232 4.933 1.00 0.00 C ATOM 1255 O GLY A 77 3.109 -13.513 4.524 1.00 0.00 O ATOM 0 H GLY A 77 -0.919 -13.775 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.591 -15.097 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.521 -14.774 4.599 1.00 0.00 H new ATOM 1259 N THR A 78 1.574 -11.999 4.957 1.00 0.00 N ATOM 1260 CA THR A 78 2.449 -10.893 4.476 1.00 0.00 C ATOM 1261 C THR A 78 3.594 -10.656 5.463 1.00 0.00 C ATOM 1262 O THR A 78 3.426 -10.741 6.664 1.00 0.00 O ATOM 1263 CB THR A 78 1.616 -9.616 4.328 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.796 -9.718 3.173 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.533 -8.396 4.205 1.00 0.00 C ATOM 0 H THR A 78 0.655 -11.709 5.290 1.00 0.00 H new ATOM 0 HA THR A 78 2.873 -11.166 3.510 1.00 0.00 H new ATOM 0 HB THR A 78 0.989 -9.496 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.261 -8.902 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.928 -7.495 4.100 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.153 -8.315 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.172 -8.508 3.329 1.00 0.00 H new ATOM 1273 N LYS A 79 4.758 -10.358 4.954 1.00 0.00 N ATOM 1274 CA LYS A 79 5.931 -10.111 5.840 1.00 0.00 C ATOM 1275 C LYS A 79 5.801 -8.717 6.462 1.00 0.00 C ATOM 1276 O LYS A 79 5.293 -7.801 5.846 1.00 0.00 O ATOM 1277 CB LYS A 79 7.208 -10.162 4.998 1.00 0.00 C ATOM 1278 CG LYS A 79 7.287 -11.494 4.251 1.00 0.00 C ATOM 1279 CD LYS A 79 8.583 -11.546 3.438 1.00 0.00 C ATOM 1280 CE LYS A 79 8.558 -12.759 2.505 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.802 -13.557 2.696 1.00 0.00 N ATOM 0 H LYS A 79 4.948 -10.274 3.955 1.00 0.00 H new ATOM 0 HA LYS A 79 5.971 -10.866 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.218 -9.336 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.081 -10.042 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.255 -12.323 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.426 -11.605 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.696 -10.631 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.441 -11.607 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.683 -13.374 2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.478 -12.432 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.786 -14.382 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.630 -12.967 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.859 -13.880 3.683 1.00 0.00 H new ATOM 1295 N MET A 80 6.259 -8.543 7.670 1.00 0.00 N ATOM 1296 CA MET A 80 6.163 -7.202 8.317 1.00 0.00 C ATOM 1297 C MET A 80 7.487 -6.458 8.129 1.00 0.00 C ATOM 1298 O MET A 80 8.550 -7.010 8.333 1.00 0.00 O ATOM 1299 CB MET A 80 5.878 -7.373 9.810 1.00 0.00 C ATOM 1300 CG MET A 80 5.569 -6.011 10.431 1.00 0.00 C ATOM 1301 SD MET A 80 5.429 -6.184 12.227 1.00 0.00 S ATOM 1302 CE MET A 80 3.995 -7.287 12.237 1.00 0.00 C ATOM 0 H MET A 80 6.695 -9.269 8.238 1.00 0.00 H new ATOM 0 HA MET A 80 5.354 -6.631 7.860 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.036 -8.050 9.955 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.738 -7.824 10.306 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.357 -5.300 10.184 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.641 -5.614 10.020 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.442 -7.157 13.168 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.347 -7.049 11.394 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.331 -8.321 12.156 1.00 0.00 H new ATOM 1312 N ALA A 81 7.439 -5.212 7.734 1.00 0.00 N ATOM 1313 CA ALA A 81 8.708 -4.455 7.532 1.00 0.00 C ATOM 1314 C ALA A 81 8.491 -2.963 7.809 1.00 0.00 C ATOM 1315 O ALA A 81 9.356 -2.294 8.339 1.00 0.00 O ATOM 1316 CB ALA A 81 9.180 -4.638 6.089 1.00 0.00 C ATOM 0 H ALA A 81 6.583 -4.690 7.544 1.00 0.00 H new ATOM 0 HA ALA A 81 9.461 -4.836 8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.108 -4.086 5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.351 -5.697 5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.418 -4.262 5.406 1.00 0.00 H new ATOM 1322 N PHE A 82 7.354 -2.429 7.452 1.00 0.00 N ATOM 1323 CA PHE A 82 7.112 -0.978 7.699 1.00 0.00 C ATOM 1324 C PHE A 82 6.329 -0.796 9.003 1.00 0.00 C ATOM 1325 O PHE A 82 5.593 -1.668 9.421 1.00 0.00 O ATOM 1326 CB PHE A 82 6.287 -0.373 6.568 1.00 0.00 C ATOM 1327 CG PHE A 82 6.332 1.127 6.694 1.00 0.00 C ATOM 1328 CD1 PHE A 82 5.504 1.775 7.616 1.00 0.00 C ATOM 1329 CD2 PHE A 82 7.217 1.869 5.906 1.00 0.00 C ATOM 1330 CE1 PHE A 82 5.558 3.166 7.745 1.00 0.00 C ATOM 1331 CE2 PHE A 82 7.270 3.260 6.036 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.441 3.908 6.956 1.00 0.00 C ATOM 0 H PHE A 82 6.587 -2.930 7.003 1.00 0.00 H new ATOM 0 HA PHE A 82 8.080 -0.481 7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.683 -0.684 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.257 -0.727 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.823 1.201 8.228 1.00 0.00 H new ATOM 0 HD2 PHE A 82 7.859 1.368 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.917 3.667 8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 82 7.952 3.834 5.426 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.483 4.982 7.057 1.00 0.00 H new ATOM 1342 N GLY A 83 6.469 0.336 9.639 1.00 0.00 N ATOM 1343 CA GLY A 83 5.717 0.576 10.903 1.00 0.00 C ATOM 1344 C GLY A 83 5.757 2.066 11.251 1.00 0.00 C ATOM 1345 O GLY A 83 6.654 2.783 10.852 1.00 0.00 O ATOM 0 H GLY A 83 7.070 1.103 9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.684 0.246 10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.152 -0.009 11.713 1.00 0.00 H new ATOM 1349 N GLY A 84 4.800 2.538 12.007 1.00 0.00 N ATOM 1350 CA GLY A 84 4.796 3.978 12.394 1.00 0.00 C ATOM 1351 C GLY A 84 3.844 4.785 11.502 1.00 0.00 C ATOM 1352 O GLY A 84 3.755 5.991 11.622 1.00 0.00 O ATOM 0 H GLY A 84 4.022 1.988 12.372 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.494 4.077 13.437 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.805 4.382 12.314 1.00 0.00 H new ATOM 1356 N LEU A 85 3.125 4.150 10.613 1.00 0.00 N ATOM 1357 CA LEU A 85 2.191 4.919 9.741 1.00 0.00 C ATOM 1358 C LEU A 85 0.865 5.116 10.477 1.00 0.00 C ATOM 1359 O LEU A 85 -0.122 5.529 9.901 1.00 0.00 O ATOM 1360 CB LEU A 85 1.945 4.162 8.433 1.00 0.00 C ATOM 1361 CG LEU A 85 2.012 5.143 7.257 1.00 0.00 C ATOM 1362 CD1 LEU A 85 3.470 5.396 6.873 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.275 4.550 6.060 1.00 0.00 C ATOM 0 H LEU A 85 3.144 3.143 10.455 1.00 0.00 H new ATOM 0 HA LEU A 85 2.632 5.888 9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.691 3.377 8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.970 3.675 8.460 1.00 0.00 H new ATOM 0 HG LEU A 85 1.547 6.084 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.510 6.094 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.002 5.819 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.938 4.455 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.322 5.246 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.743 3.608 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.233 4.372 6.326 1.00 0.00 H new ATOM 1375 N LYS A 86 0.834 4.819 11.748 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.426 4.987 12.522 1.00 0.00 C ATOM 1377 C LYS A 86 -0.936 6.418 12.354 1.00 0.00 C ATOM 1378 O LYS A 86 -2.124 6.671 12.379 1.00 0.00 O ATOM 1379 CB LYS A 86 -0.160 4.713 14.004 1.00 0.00 C ATOM 1380 CG LYS A 86 -1.481 4.756 14.776 1.00 0.00 C ATOM 1381 CD LYS A 86 -1.211 4.544 16.266 1.00 0.00 C ATOM 1382 CE LYS A 86 -2.541 4.427 17.014 1.00 0.00 C ATOM 1383 NZ LYS A 86 -3.389 5.615 16.711 1.00 0.00 N ATOM 0 H LYS A 86 1.628 4.467 12.283 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.174 4.285 12.153 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.313 3.738 14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.531 5.455 14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.975 5.715 14.618 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.156 3.985 14.405 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.618 3.642 16.414 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.630 5.376 16.663 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.057 3.514 16.718 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.362 4.359 18.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.138 5.699 17.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.801 6.473 16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.820 5.503 15.771 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.049 7.359 12.182 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.492 8.770 12.012 1.00 0.00 C ATOM 1399 C LYS A 87 -1.544 8.834 10.904 1.00 0.00 C ATOM 1400 O LYS A 87 -1.316 8.405 9.790 1.00 0.00 O ATOM 1401 CB LYS A 87 0.708 9.639 11.626 1.00 0.00 C ATOM 1402 CG LYS A 87 1.727 9.648 12.766 1.00 0.00 C ATOM 1403 CD LYS A 87 2.870 10.604 12.422 1.00 0.00 C ATOM 1404 CE LYS A 87 3.950 10.523 13.503 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.983 11.567 13.252 1.00 0.00 N ATOM 0 H LYS A 87 0.960 7.212 12.152 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.918 9.136 12.946 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.169 9.255 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.379 10.656 11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.247 9.958 13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.116 8.643 12.928 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.293 10.347 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.494 11.624 12.345 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.505 10.666 14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.409 9.534 13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.717 11.512 13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.415 11.411 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.539 12.507 13.275 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.698 9.364 11.203 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.768 9.453 10.172 1.00 0.00 C ATOM 1421 C GLU A 88 -3.307 10.357 9.027 1.00 0.00 C ATOM 1422 O GLU A 88 -3.683 10.171 7.887 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.032 10.035 10.801 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.571 9.073 11.862 1.00 0.00 C ATOM 1425 CD GLU A 88 -5.973 7.752 11.201 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -6.148 7.745 9.994 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -6.099 6.770 11.914 1.00 0.00 O ATOM 0 H GLU A 88 -2.946 9.740 12.118 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.978 8.457 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.813 11.003 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.787 10.205 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.812 8.894 12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.430 9.516 12.366 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.505 11.341 9.323 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.032 12.262 8.255 1.00 0.00 C ATOM 1436 C LYS A 89 -1.311 11.471 7.162 1.00 0.00 C ATOM 1437 O LYS A 89 -1.551 11.664 5.986 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.069 13.279 8.865 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.815 14.149 9.880 1.00 0.00 C ATOM 1440 CD LYS A 89 -0.878 15.235 10.411 1.00 0.00 C ATOM 1441 CE LYS A 89 -1.579 16.015 11.525 1.00 0.00 C ATOM 1442 NZ LYS A 89 -2.703 16.805 10.947 1.00 0.00 N ATOM 0 H LYS A 89 -2.157 11.547 10.259 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.887 12.775 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.241 12.764 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.640 13.904 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.688 14.604 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.179 13.534 10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.040 14.785 10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.592 15.910 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.955 15.328 12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.870 16.679 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.038 17.497 11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.374 17.305 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.482 16.165 10.693 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.431 10.583 7.533 1.00 0.00 N ATOM 1457 CA ASP A 90 0.294 9.790 6.506 1.00 0.00 C ATOM 1458 C ASP A 90 -0.685 8.851 5.805 1.00 0.00 C ATOM 1459 O ASP A 90 -0.719 8.759 4.595 1.00 0.00 O ATOM 1460 CB ASP A 90 1.383 8.955 7.181 1.00 0.00 C ATOM 1461 CG ASP A 90 2.396 9.883 7.857 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.403 11.058 7.528 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.146 9.402 8.688 1.00 0.00 O ATOM 0 H ASP A 90 -0.184 10.374 8.500 1.00 0.00 H new ATOM 0 HA ASP A 90 0.744 10.467 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.938 8.287 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.884 8.328 6.444 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.476 8.148 6.564 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.451 7.200 5.959 1.00 0.00 C ATOM 1470 C ARG A 91 -3.386 7.937 4.998 1.00 0.00 C ATOM 1471 O ARG A 91 -3.681 7.462 3.919 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.277 6.561 7.075 1.00 0.00 C ATOM 1473 CG ARG A 91 -4.188 5.481 6.492 1.00 0.00 C ATOM 1474 CD ARG A 91 -5.120 4.961 7.588 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.310 4.474 8.741 1.00 0.00 N ATOM 1476 CZ ARG A 91 -4.812 4.494 9.948 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -6.027 4.928 10.145 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -4.098 4.078 10.957 1.00 0.00 N ATOM 0 H ARG A 91 -1.489 8.189 7.583 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.909 6.435 5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.617 6.126 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.875 7.321 7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.771 5.888 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.590 4.664 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.794 5.753 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.741 4.154 7.199 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.364 4.125 8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.587 5.252 9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.417 4.943 11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.149 3.737 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.489 4.093 11.899 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.863 9.087 5.381 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.786 9.840 4.490 1.00 0.00 C ATOM 1494 C ASN A 92 -4.024 10.405 3.292 1.00 0.00 C ATOM 1495 O ASN A 92 -4.385 10.186 2.154 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.413 10.992 5.272 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.358 10.441 6.339 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.622 9.255 6.381 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.891 11.261 7.201 1.00 0.00 N ATOM 0 H ASN A 92 -3.654 9.538 6.272 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.562 9.163 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.633 11.593 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.958 11.649 4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.531 10.908 7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.668 12.256 7.164 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.978 11.138 3.542 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.196 11.731 2.422 1.00 0.00 C ATOM 1508 C ASP A 93 -1.596 10.618 1.561 1.00 0.00 C ATOM 1509 O ASP A 93 -1.549 10.710 0.351 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.076 12.602 2.994 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.684 13.793 3.735 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.870 14.027 3.568 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.955 14.453 4.457 1.00 0.00 O ATOM 0 H ASP A 93 -2.629 11.353 4.476 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.854 12.342 1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.456 12.016 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.427 12.952 2.191 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.137 9.568 2.179 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.535 8.446 1.405 1.00 0.00 C ATOM 1520 C LEU A 94 -1.504 7.985 0.323 1.00 0.00 C ATOM 1521 O LEU A 94 -1.194 7.981 -0.852 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.260 7.285 2.361 1.00 0.00 C ATOM 1523 CG LEU A 94 0.231 6.067 1.580 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.447 6.451 0.738 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.624 4.969 2.569 1.00 0.00 C ATOM 0 H LEU A 94 -1.152 9.437 3.190 1.00 0.00 H new ATOM 0 HA LEU A 94 0.391 8.779 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.487 7.580 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.167 7.033 2.910 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.561 5.709 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.795 5.580 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.171 7.241 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.244 6.807 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.976 4.095 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.419 5.333 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.242 4.695 3.172 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.674 7.586 0.718 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.676 7.111 -0.266 1.00 0.00 C ATOM 1539 C ILE A 95 -4.142 8.263 -1.154 1.00 0.00 C ATOM 1540 O ILE A 95 -4.495 8.068 -2.300 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.860 6.519 0.482 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.378 5.319 1.299 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.912 6.074 -0.525 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.527 4.774 2.153 1.00 0.00 C ATOM 0 H ILE A 95 -2.982 7.568 1.690 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.224 6.351 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.295 7.262 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.007 4.540 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.546 5.614 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.765 5.648 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.240 6.932 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.485 5.323 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.176 3.920 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.878 5.552 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.346 4.462 1.505 1.00 0.00 H new ATOM 1556 N THR A 96 -4.154 9.460 -0.641 1.00 0.00 N ATOM 1557 CA THR A 96 -4.604 10.606 -1.467 1.00 0.00 C ATOM 1558 C THR A 96 -3.823 10.616 -2.781 1.00 0.00 C ATOM 1559 O THR A 96 -4.371 10.852 -3.839 1.00 0.00 O ATOM 1560 CB THR A 96 -4.344 11.904 -0.703 1.00 0.00 C ATOM 1561 OG1 THR A 96 -4.900 11.803 0.600 1.00 0.00 O ATOM 1562 CG2 THR A 96 -4.997 13.064 -1.443 1.00 0.00 C ATOM 0 H THR A 96 -3.872 9.691 0.312 1.00 0.00 H new ATOM 0 HA THR A 96 -5.669 10.516 -1.681 1.00 0.00 H new ATOM 0 HB THR A 96 -3.270 12.076 -0.629 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.406 11.131 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.813 13.991 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.575 13.140 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.071 12.892 -1.514 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.548 10.354 -2.721 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.731 10.339 -3.965 1.00 0.00 C ATOM 1572 C TYR A 97 -1.963 9.034 -4.730 1.00 0.00 C ATOM 1573 O TYR A 97 -2.164 9.032 -5.928 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.252 10.468 -3.603 1.00 0.00 C ATOM 1575 CG TYR A 97 0.580 10.308 -4.849 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.780 11.393 -5.711 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.152 9.069 -5.142 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.554 11.234 -6.867 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.924 8.906 -6.294 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.126 9.990 -7.160 1.00 0.00 C ATOM 1581 OH TYR A 97 2.888 9.830 -8.299 1.00 0.00 O ATOM 0 H TYR A 97 -2.036 10.149 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.026 11.176 -4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.061 11.439 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.022 9.711 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.338 12.352 -5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.997 8.234 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.710 12.070 -7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.365 7.946 -6.518 1.00 0.00 H new ATOM 0 HH TYR A 97 3.210 8.906 -8.350 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.931 7.922 -4.048 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.142 6.616 -4.741 1.00 0.00 C ATOM 1593 C LEU A 98 -3.496 6.626 -5.448 1.00 0.00 C ATOM 1594 O LEU A 98 -3.611 6.259 -6.600 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.126 5.486 -3.709 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.798 5.501 -2.948 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.850 4.483 -1.807 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.342 5.126 -3.893 1.00 0.00 C ATOM 0 H LEU A 98 -1.768 7.859 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.348 6.462 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.956 5.604 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.261 4.525 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.629 6.500 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.096 4.494 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.661 4.741 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.022 3.487 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.286 5.138 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.168 4.128 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.387 5.844 -4.712 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.519 7.050 -4.765 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.869 7.095 -5.391 1.00 0.00 C ATOM 1612 C LYS A 99 -5.850 8.057 -6.579 1.00 0.00 C ATOM 1613 O LYS A 99 -6.462 7.811 -7.600 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.888 7.568 -4.356 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.282 7.625 -4.989 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.296 8.154 -3.968 1.00 0.00 C ATOM 1617 CE LYS A 99 -9.222 9.682 -3.902 1.00 0.00 C ATOM 1618 NZ LYS A 99 -9.383 10.251 -5.271 1.00 0.00 N ATOM 0 H LYS A 99 -4.480 7.369 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.145 6.101 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.894 6.891 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.609 8.552 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.266 8.270 -5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.578 6.632 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.302 7.842 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.091 7.729 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.002 10.066 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.267 9.992 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.920 11.140 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.446 10.437 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.896 9.573 -5.871 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.155 9.154 -6.452 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.097 10.137 -7.572 1.00 0.00 C ATOM 1634 C LYS A 100 -4.515 9.460 -8.809 1.00 0.00 C ATOM 1635 O LYS A 100 -4.999 9.623 -9.911 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.191 11.299 -7.171 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.337 12.436 -8.186 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.396 13.582 -7.808 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.655 14.777 -8.727 1.00 0.00 C ATOM 1640 NZ LYS A 100 -4.891 15.484 -8.286 1.00 0.00 N ATOM 0 H LYS A 100 -4.624 9.413 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.100 10.504 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.454 11.652 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.154 10.967 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.104 12.075 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.368 12.789 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.553 13.868 -6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.359 13.259 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.805 15.459 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.764 14.440 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.967 16.394 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.722 14.899 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.847 15.654 -7.261 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.481 8.694 -8.625 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.857 7.990 -9.779 1.00 0.00 C ATOM 1656 C ALA A 101 -3.825 6.925 -10.280 1.00 0.00 C ATOM 1657 O ALA A 101 -4.132 6.847 -11.453 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.550 7.330 -9.335 1.00 0.00 C ATOM 0 H ALA A 101 -3.038 8.523 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.640 8.701 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.096 6.816 -10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.865 8.092 -8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.756 6.611 -8.542 1.00 0.00 H new ATOM 1664 N THR A 102 -4.326 6.116 -9.390 1.00 0.00 N ATOM 1665 CA THR A 102 -5.295 5.069 -9.801 1.00 0.00 C ATOM 1666 C THR A 102 -6.539 5.759 -10.352 1.00 0.00 C ATOM 1667 O THR A 102 -7.217 5.247 -11.223 1.00 0.00 O ATOM 1668 CB THR A 102 -5.675 4.214 -8.590 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.497 3.696 -7.988 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.571 3.059 -9.043 1.00 0.00 C ATOM 0 H THR A 102 -4.105 6.136 -8.395 1.00 0.00 H new ATOM 0 HA THR A 102 -4.853 4.425 -10.561 1.00 0.00 H new ATOM 0 HB THR A 102 -6.212 4.826 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.078 4.391 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.842 2.449 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.474 3.458 -9.504 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.035 2.445 -9.767 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.844 6.924 -9.846 1.00 0.00 N ATOM 1679 CA GLU A 103 -8.046 7.658 -10.333 1.00 0.00 C ATOM 1680 C GLU A 103 -7.713 8.367 -11.647 1.00 0.00 C ATOM 1681 O GLU A 103 -7.531 9.568 -11.687 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.470 8.693 -9.289 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.784 9.347 -9.720 1.00 0.00 C ATOM 1684 CD GLU A 103 -10.154 10.454 -8.730 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.391 10.673 -7.805 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -11.196 11.062 -8.915 1.00 0.00 O ATOM 0 H GLU A 103 -6.312 7.399 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.860 6.952 -10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.591 8.215 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.694 9.451 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.684 9.761 -10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.578 8.601 -9.760 1.00 0.00 H new