USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 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 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl 140:sc= -1.5 (180deg=-2.47!) USER MOD Set 2.1: A 64 HIS :FLIP no HD1:sc= -9.62! C(o=-15!,f=-13!) USER MOD Set 2.2: B 5 SER OG : rot -34:sc= -3.43! USER MOD Single : A 1 ARG N :NH3+ -137:sc= 0.0305 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 160:sc= -1.17 USER MOD Single : A 17 SER OG : rot 149:sc= 0.491 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 158:sc= -14.6! (180deg=-16.7!) USER MOD Single : A 31 SER OG : rot -140:sc= -0.011 USER MOD Single : A 32 LYS NZ :NH3+ -152:sc= -0.194 (180deg=-1.31!) USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= -0.138 (180deg=-1.13) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-2,f=0) USER MOD Single : A 42 THR OG1 : rot -27:sc= 0.961 USER MOD Single : A 53 SER OG : rot 180:sc= -1.31 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0246 F(o=-1.4,f=-0.025) USER MOD Single : A 60 SER OG : rot 177:sc= -4.13! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0671 USER MOD Single : A 69 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.89) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -170:sc= -0.184 USER MOD Single : A 76 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0099) USER MOD Single : A 84 TYR OH : rot 92:sc= 0.97 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.897 -18.085 7.476 1.00 0.00 N ATOM 2 CA ARG A 1 -6.513 -17.013 8.439 1.00 0.00 C ATOM 3 C ARG A 1 -4.988 -16.927 8.554 1.00 0.00 C ATOM 4 O ARG A 1 -4.271 -17.804 8.114 1.00 0.00 O ATOM 5 CB ARG A 1 -7.128 -17.440 9.772 1.00 0.00 C ATOM 6 CG ARG A 1 -7.482 -16.198 10.592 1.00 0.00 C ATOM 7 CD ARG A 1 -8.450 -16.583 11.711 1.00 0.00 C ATOM 8 NE ARG A 1 -8.239 -15.554 12.768 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.373 -15.874 14.026 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.432 -16.544 14.633 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.449 -15.523 14.676 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.666 -17.744 6.865 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.075 -18.336 6.890 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.218 -18.924 8.000 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.863 -16.030 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -8.021 -18.040 9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.427 -18.066 10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.578 -15.758 11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -7.934 -15.442 9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.482 -16.583 11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.242 -17.585 12.087 1.00 0.00 H new ATOM 0 HE ARG A 1 -7.990 -14.600 12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -6.591 -16.818 14.124 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -7.537 -16.794 15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -10.184 -14.999 14.201 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -9.555 -15.773 15.659 1.00 0.00 H new ATOM 27 N ARG A 2 -4.487 -15.873 9.139 1.00 0.00 N ATOM 28 CA ARG A 2 -3.010 -15.726 9.275 1.00 0.00 C ATOM 29 C ARG A 2 -2.674 -14.778 10.430 1.00 0.00 C ATOM 30 O ARG A 2 -3.516 -14.050 10.917 1.00 0.00 O ATOM 31 CB ARG A 2 -2.553 -15.130 7.942 1.00 0.00 C ATOM 32 CG ARG A 2 -2.300 -16.250 6.942 1.00 0.00 C ATOM 33 CD ARG A 2 -0.985 -15.980 6.211 1.00 0.00 C ATOM 34 NE ARG A 2 0.075 -16.232 7.225 1.00 0.00 N ATOM 35 CZ ARG A 2 0.680 -17.388 7.265 1.00 0.00 C ATOM 36 NH1 ARG A 2 0.102 -18.406 7.843 1.00 0.00 N ATOM 37 NH2 ARG A 2 1.859 -17.526 6.725 1.00 0.00 N ATOM 0 H ARG A 2 -5.037 -15.107 9.529 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.517 -16.674 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.312 -14.450 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.645 -14.545 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.254 -17.210 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.122 -16.310 6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.871 -16.636 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.942 -14.956 5.840 1.00 0.00 H new ATOM 0 HE ARG A 2 0.329 -15.501 7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.821 -18.298 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.574 -19.310 7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.308 -16.731 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.332 -18.429 6.756 1.00 0.00 H new ATOM 51 N ARG A 3 -1.443 -14.775 10.859 1.00 0.00 N ATOM 52 CA ARG A 3 -1.035 -13.869 11.971 1.00 0.00 C ATOM 53 C ARG A 3 0.359 -13.312 11.681 1.00 0.00 C ATOM 54 O ARG A 3 1.335 -14.037 11.670 1.00 0.00 O ATOM 55 CB ARG A 3 -1.015 -14.751 13.220 1.00 0.00 C ATOM 56 CG ARG A 3 -0.819 -13.876 14.460 1.00 0.00 C ATOM 57 CD ARG A 3 -0.798 -14.759 15.710 1.00 0.00 C ATOM 58 NE ARG A 3 -0.338 -13.863 16.807 1.00 0.00 N ATOM 59 CZ ARG A 3 -0.835 -13.995 18.007 1.00 0.00 C ATOM 60 NH1 ARG A 3 -1.987 -13.457 18.299 1.00 0.00 N ATOM 61 NH2 ARG A 3 -0.179 -14.666 18.915 1.00 0.00 N ATOM 0 H ARG A 3 -0.698 -15.363 10.486 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.709 -13.021 12.094 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.948 -15.309 13.299 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.211 -15.484 13.148 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.114 -13.318 14.380 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.623 -13.144 14.532 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.786 -15.167 15.922 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.124 -15.606 15.584 1.00 0.00 H new ATOM 0 HE ARG A 3 0.364 -13.147 16.621 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.500 -12.933 17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.375 -13.560 19.237 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.722 -15.087 18.687 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.567 -14.769 19.853 1.00 0.00 H new ATOM 75 N VAL A 4 0.466 -12.036 11.431 1.00 0.00 N ATOM 76 CA VAL A 4 1.807 -11.459 11.126 1.00 0.00 C ATOM 77 C VAL A 4 2.124 -10.306 12.079 1.00 0.00 C ATOM 78 O VAL A 4 1.240 -9.649 12.591 1.00 0.00 O ATOM 79 CB VAL A 4 1.702 -10.960 9.682 1.00 0.00 C ATOM 80 CG1 VAL A 4 3.071 -10.468 9.210 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.237 -12.106 8.779 1.00 0.00 C ATOM 0 H VAL A 4 -0.309 -11.373 11.424 1.00 0.00 H new ATOM 0 HA VAL A 4 2.608 -12.189 11.247 1.00 0.00 H new ATOM 0 HB VAL A 4 0.984 -10.141 9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.996 -10.113 8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.406 -9.653 9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.789 -11.287 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.162 -11.752 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.956 -12.924 8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.262 -12.460 9.113 1.00 0.00 H new ATOM 91 N THR A 5 3.382 -10.060 12.324 1.00 0.00 N ATOM 92 CA THR A 5 3.762 -8.953 13.248 1.00 0.00 C ATOM 93 C THR A 5 4.985 -8.209 12.704 1.00 0.00 C ATOM 94 O THR A 5 5.884 -8.798 12.135 1.00 0.00 O ATOM 95 CB THR A 5 4.097 -9.647 14.573 1.00 0.00 C ATOM 96 OG1 THR A 5 2.914 -10.209 15.122 1.00 0.00 O ATOM 97 CG2 THR A 5 4.686 -8.632 15.559 1.00 0.00 C ATOM 0 H THR A 5 4.164 -10.578 11.924 1.00 0.00 H new ATOM 0 HA THR A 5 2.968 -8.215 13.363 1.00 0.00 H new ATOM 0 HB THR A 5 4.828 -10.435 14.392 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.152 -10.905 15.769 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.922 -9.132 16.498 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.595 -8.202 15.139 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.961 -7.839 15.742 1.00 0.00 H new ATOM 105 N VAL A 6 5.030 -6.918 12.884 1.00 0.00 N ATOM 106 CA VAL A 6 6.197 -6.135 12.387 1.00 0.00 C ATOM 107 C VAL A 6 6.722 -5.225 13.497 1.00 0.00 C ATOM 108 O VAL A 6 6.089 -4.262 13.881 1.00 0.00 O ATOM 109 CB VAL A 6 5.660 -5.312 11.219 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.767 -4.397 10.690 1.00 0.00 C ATOM 111 CG2 VAL A 6 5.207 -6.257 10.108 1.00 0.00 C ATOM 0 H VAL A 6 4.309 -6.371 13.354 1.00 0.00 H new ATOM 0 HA VAL A 6 7.025 -6.773 12.079 1.00 0.00 H new ATOM 0 HB VAL A 6 4.818 -4.706 11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.385 -3.809 9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.097 -3.728 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.609 -5.002 10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.822 -5.676 9.270 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.053 -6.858 9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.422 -6.913 10.485 1.00 0.00 H new ATOM 121 N ARG A 7 7.874 -5.528 14.019 1.00 0.00 N ATOM 122 CA ARG A 7 8.440 -4.685 15.110 1.00 0.00 C ATOM 123 C ARG A 7 8.915 -3.342 14.547 1.00 0.00 C ATOM 124 O ARG A 7 9.849 -3.275 13.773 1.00 0.00 O ATOM 125 CB ARG A 7 9.616 -5.493 15.662 1.00 0.00 C ATOM 126 CG ARG A 7 9.100 -6.563 16.629 1.00 0.00 C ATOM 127 CD ARG A 7 8.628 -7.789 15.840 1.00 0.00 C ATOM 128 NE ARG A 7 9.839 -8.265 15.114 1.00 0.00 N ATOM 129 CZ ARG A 7 9.737 -8.693 13.884 1.00 0.00 C ATOM 130 NH1 ARG A 7 8.651 -9.304 13.493 1.00 0.00 N ATOM 131 NH2 ARG A 7 10.720 -8.510 13.046 1.00 0.00 N ATOM 0 H ARG A 7 8.450 -6.322 13.739 1.00 0.00 H new ATOM 0 HA ARG A 7 7.707 -4.458 15.884 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.163 -5.962 14.844 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.315 -4.832 16.175 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.889 -6.848 17.325 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.279 -6.163 17.224 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.237 -8.560 16.504 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.828 -7.529 15.147 1.00 0.00 H new ATOM 0 HE ARG A 7 10.748 -8.257 15.577 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.882 -9.447 14.148 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.571 -9.638 12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.568 -8.033 13.351 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.640 -8.844 12.086 1.00 0.00 H new ATOM 213 N LEU A 14 5.674 2.172 7.451 1.00 0.00 N ATOM 214 CA LEU A 14 5.520 0.695 7.594 1.00 0.00 C ATOM 215 C LEU A 14 5.595 0.021 6.224 1.00 0.00 C ATOM 216 O LEU A 14 5.910 -1.147 6.112 1.00 0.00 O ATOM 217 CB LEU A 14 4.131 0.492 8.199 1.00 0.00 C ATOM 218 CG LEU A 14 4.106 -0.809 9.006 1.00 0.00 C ATOM 219 CD1 LEU A 14 3.175 -0.645 10.209 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.596 -1.946 8.119 1.00 0.00 C ATOM 0 HA LEU A 14 6.306 0.263 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.877 1.335 8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.381 0.456 7.409 1.00 0.00 H new ATOM 0 HG LEU A 14 5.112 -1.041 9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.157 -1.571 10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.536 0.167 10.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.168 -0.414 9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.577 -2.874 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.589 -1.713 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.258 -2.063 7.261 1.00 0.00 H new ATOM 232 N GLY A 15 5.294 0.743 5.178 1.00 0.00 N ATOM 233 CA GLY A 15 5.337 0.130 3.822 1.00 0.00 C ATOM 234 C GLY A 15 4.173 -0.848 3.694 1.00 0.00 C ATOM 235 O GLY A 15 4.330 -2.042 3.853 1.00 0.00 O ATOM 0 H GLY A 15 5.022 1.726 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.269 0.902 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.284 -0.387 3.670 1.00 0.00 H new ATOM 239 N ILE A 16 3.000 -0.349 3.433 1.00 0.00 N ATOM 240 CA ILE A 16 1.815 -1.250 3.321 1.00 0.00 C ATOM 241 C ILE A 16 0.578 -0.437 2.927 1.00 0.00 C ATOM 242 O ILE A 16 0.137 0.428 3.657 1.00 0.00 O ATOM 243 CB ILE A 16 1.646 -1.866 4.728 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.273 -2.534 4.852 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.765 -0.774 5.797 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.315 -3.584 5.960 1.00 0.00 C ATOM 0 H ILE A 16 2.807 0.643 3.292 1.00 0.00 H new ATOM 0 HA ILE A 16 1.944 -2.019 2.559 1.00 0.00 H new ATOM 0 HB ILE A 16 2.428 -2.611 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.488 -1.786 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.004 -2.999 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.645 -1.218 6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.745 -0.303 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.990 -0.024 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.662 -4.059 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.065 -4.338 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.572 -3.106 6.905 1.00 0.00 H new ATOM 258 N SER A 17 0.014 -0.711 1.785 1.00 0.00 N ATOM 259 CA SER A 17 -1.194 0.048 1.361 1.00 0.00 C ATOM 260 C SER A 17 -2.434 -0.846 1.433 1.00 0.00 C ATOM 261 O SER A 17 -2.557 -1.816 0.712 1.00 0.00 O ATOM 262 CB SER A 17 -0.914 0.471 -0.082 1.00 0.00 C ATOM 263 OG SER A 17 -2.138 0.774 -0.734 1.00 0.00 O ATOM 0 H SER A 17 0.335 -1.424 1.130 1.00 0.00 H new ATOM 0 HA SER A 17 -1.388 0.907 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.257 1.341 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.396 -0.328 -0.612 1.00 0.00 H new ATOM 0 HG SER A 17 -1.987 1.473 -1.404 1.00 0.00 H new ATOM 269 N ILE A 18 -3.354 -0.529 2.304 1.00 0.00 N ATOM 270 CA ILE A 18 -4.585 -1.363 2.429 1.00 0.00 C ATOM 271 C ILE A 18 -5.660 -0.883 1.460 1.00 0.00 C ATOM 272 O ILE A 18 -5.690 0.268 1.082 1.00 0.00 O ATOM 273 CB ILE A 18 -5.050 -1.177 3.870 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.376 0.298 4.117 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.946 -1.630 4.826 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.231 0.415 5.373 1.00 0.00 C ATOM 0 H ILE A 18 -3.307 0.271 2.935 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.391 -2.409 2.192 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.944 -1.776 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.457 0.872 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.906 0.715 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.279 -1.497 5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.722 -2.682 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.049 -1.034 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.468 1.463 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.155 -0.147 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.683 0.013 6.225 1.00 0.00 H new ATOM 288 N LYS A 19 -6.546 -1.749 1.060 1.00 0.00 N ATOM 289 CA LYS A 19 -7.618 -1.323 0.120 1.00 0.00 C ATOM 290 C LYS A 19 -8.935 -2.029 0.469 1.00 0.00 C ATOM 291 O LYS A 19 -9.028 -3.241 0.430 1.00 0.00 O ATOM 292 CB LYS A 19 -7.123 -1.754 -1.264 1.00 0.00 C ATOM 293 CG LYS A 19 -8.135 -1.329 -2.332 1.00 0.00 C ATOM 294 CD LYS A 19 -7.588 -1.674 -3.718 1.00 0.00 C ATOM 295 CE LYS A 19 -8.169 -3.012 -4.178 1.00 0.00 C ATOM 296 NZ LYS A 19 -9.455 -2.662 -4.845 1.00 0.00 N ATOM 0 H LYS A 19 -6.575 -2.729 1.341 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.811 -0.251 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.152 -1.303 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.985 -2.835 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.087 -1.835 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.327 -0.258 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.848 -0.889 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.500 -1.729 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.493 -3.521 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.331 -3.683 -3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.915 -3.529 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.080 -2.185 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.268 -2.028 -5.648 1.00 0.00 H new ATOM 310 N GLY A 20 -9.953 -1.285 0.816 1.00 0.00 N ATOM 311 CA GLY A 20 -11.255 -1.923 1.167 1.00 0.00 C ATOM 312 C GLY A 20 -12.114 -0.933 1.958 1.00 0.00 C ATOM 313 O GLY A 20 -11.888 0.260 1.931 1.00 0.00 O ATOM 0 H GLY A 20 -9.939 -0.267 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.777 -2.230 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.083 -2.823 1.757 1.00 0.00 H new ATOM 317 N GLY A 21 -13.099 -1.420 2.662 1.00 0.00 N ATOM 318 CA GLY A 21 -13.972 -0.506 3.454 1.00 0.00 C ATOM 319 C GLY A 21 -15.193 -1.275 3.960 1.00 0.00 C ATOM 320 O GLY A 21 -15.848 -1.981 3.219 1.00 0.00 O ATOM 0 H GLY A 21 -13.337 -2.410 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.415 -0.093 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.289 0.335 2.838 1.00 0.00 H new ATOM 324 N ARG A 22 -15.505 -1.146 5.221 1.00 0.00 N ATOM 325 CA ARG A 22 -16.684 -1.871 5.777 1.00 0.00 C ATOM 326 C ARG A 22 -17.972 -1.444 5.059 1.00 0.00 C ATOM 327 O ARG A 22 -18.986 -2.106 5.149 1.00 0.00 O ATOM 328 CB ARG A 22 -16.725 -1.481 7.255 1.00 0.00 C ATOM 329 CG ARG A 22 -17.740 -2.356 7.991 1.00 0.00 C ATOM 330 CD ARG A 22 -17.180 -2.717 9.366 1.00 0.00 C ATOM 331 NE ARG A 22 -18.261 -2.355 10.326 1.00 0.00 N ATOM 332 CZ ARG A 22 -18.461 -1.104 10.645 1.00 0.00 C ATOM 333 NH1 ARG A 22 -17.772 -0.559 11.610 1.00 0.00 N ATOM 334 NH2 ARG A 22 -19.351 -0.399 10.000 1.00 0.00 N ATOM 0 H ARG A 22 -14.995 -0.570 5.890 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.604 -2.950 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.737 -1.600 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.995 -0.430 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.687 -1.826 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.943 -3.261 7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.936 -3.777 9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.263 -2.166 9.577 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.845 -3.085 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.078 -1.110 12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.928 0.418 11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.891 -0.825 9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.507 0.578 10.250 1.00 0.00 H new ATOM 348 N GLU A 23 -17.942 -0.354 4.335 1.00 0.00 N ATOM 349 CA GLU A 23 -19.166 0.086 3.609 1.00 0.00 C ATOM 350 C GLU A 23 -19.325 -0.720 2.313 1.00 0.00 C ATOM 351 O GLU A 23 -20.370 -0.716 1.693 1.00 0.00 O ATOM 352 CB GLU A 23 -18.936 1.565 3.301 1.00 0.00 C ATOM 353 CG GLU A 23 -20.012 2.404 3.992 1.00 0.00 C ATOM 354 CD GLU A 23 -19.801 3.883 3.655 1.00 0.00 C ATOM 355 OE1 GLU A 23 -19.576 4.178 2.494 1.00 0.00 O ATOM 356 OE2 GLU A 23 -19.870 4.693 4.565 1.00 0.00 O ATOM 0 H GLU A 23 -17.126 0.246 4.217 1.00 0.00 H new ATOM 0 HA GLU A 23 -20.074 -0.068 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.947 1.869 3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.966 1.732 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -21.002 2.084 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.967 2.256 5.071 1.00 0.00 H new ATOM 363 N ASN A 24 -18.295 -1.414 1.902 1.00 0.00 N ATOM 364 CA ASN A 24 -18.384 -2.221 0.653 1.00 0.00 C ATOM 365 C ASN A 24 -18.158 -3.700 0.974 1.00 0.00 C ATOM 366 O ASN A 24 -17.754 -4.476 0.130 1.00 0.00 O ATOM 367 CB ASN A 24 -17.261 -1.687 -0.238 1.00 0.00 C ATOM 368 CG ASN A 24 -17.861 -0.852 -1.370 1.00 0.00 C ATOM 369 OD1 ASN A 24 -18.112 -1.358 -2.447 1.00 0.00 O ATOM 370 ND2 ASN A 24 -18.105 0.415 -1.172 1.00 0.00 N ATOM 0 H ASN A 24 -17.395 -1.455 2.380 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.358 -2.143 0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.573 -1.080 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.684 -2.515 -0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.506 0.980 -1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.895 0.840 -0.269 1.00 0.00 H new ATOM 377 N LYS A 25 -18.409 -4.096 2.194 1.00 0.00 N ATOM 378 CA LYS A 25 -18.203 -5.522 2.576 1.00 0.00 C ATOM 379 C LYS A 25 -16.772 -5.952 2.242 1.00 0.00 C ATOM 380 O LYS A 25 -16.525 -6.602 1.246 1.00 0.00 O ATOM 381 CB LYS A 25 -19.212 -6.314 1.741 1.00 0.00 C ATOM 382 CG LYS A 25 -19.168 -7.788 2.151 1.00 0.00 C ATOM 383 CD LYS A 25 -20.271 -8.554 1.418 1.00 0.00 C ATOM 384 CE LYS A 25 -20.790 -9.681 2.313 1.00 0.00 C ATOM 385 NZ LYS A 25 -22.274 -9.599 2.212 1.00 0.00 N ATOM 0 H LYS A 25 -18.748 -3.492 2.943 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.347 -5.688 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.215 -5.914 1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.981 -6.213 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.194 -8.214 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.301 -7.881 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.085 -7.879 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.885 -8.965 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.424 -10.652 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.457 -9.553 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.704 -10.342 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.594 -8.667 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.562 -9.731 1.222 1.00 0.00 H new ATOM 399 N MET A 26 -15.826 -5.589 3.066 1.00 0.00 N ATOM 400 CA MET A 26 -14.412 -5.972 2.792 1.00 0.00 C ATOM 401 C MET A 26 -13.564 -5.844 4.070 1.00 0.00 C ATOM 402 O MET A 26 -13.465 -4.771 4.632 1.00 0.00 O ATOM 403 CB MET A 26 -13.931 -4.973 1.739 1.00 0.00 C ATOM 404 CG MET A 26 -13.372 -5.721 0.521 1.00 0.00 C ATOM 405 SD MET A 26 -11.583 -5.458 0.412 1.00 0.00 S ATOM 406 CE MET A 26 -11.183 -5.929 2.113 1.00 0.00 C ATOM 0 H MET A 26 -15.972 -5.044 3.916 1.00 0.00 H new ATOM 0 HA MET A 26 -14.326 -7.005 2.454 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.756 -4.329 1.433 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.162 -4.327 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.588 -6.786 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.857 -5.368 -0.389 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.134 -6.219 2.173 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.365 -5.084 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.809 -6.769 2.415 1.00 0.00 H new ATOM 416 N PRO A 27 -12.970 -6.940 4.488 1.00 0.00 N ATOM 417 CA PRO A 27 -12.112 -6.928 5.713 1.00 0.00 C ATOM 418 C PRO A 27 -10.787 -6.183 5.480 1.00 0.00 C ATOM 419 O PRO A 27 -9.731 -6.714 5.759 1.00 0.00 O ATOM 420 CB PRO A 27 -11.824 -8.407 5.954 1.00 0.00 C ATOM 421 CG PRO A 27 -11.965 -9.046 4.610 1.00 0.00 C ATOM 422 CD PRO A 27 -13.041 -8.282 3.887 1.00 0.00 C ATOM 0 HA PRO A 27 -12.601 -6.423 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.823 -8.554 6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.524 -8.835 6.671 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.024 -9.006 4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.234 -10.098 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.859 -8.251 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.022 -8.735 4.031 1.00 0.00 H new ATOM 430 N ILE A 28 -10.825 -4.965 4.988 1.00 0.00 N ATOM 431 CA ILE A 28 -9.552 -4.191 4.748 1.00 0.00 C ATOM 432 C ILE A 28 -8.475 -5.100 4.119 1.00 0.00 C ATOM 433 O ILE A 28 -7.714 -5.737 4.819 1.00 0.00 O ATOM 434 CB ILE A 28 -9.081 -3.706 6.132 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.268 -3.254 7.005 1.00 0.00 C ATOM 436 CG2 ILE A 28 -8.123 -2.528 5.952 1.00 0.00 C ATOM 437 CD1 ILE A 28 -11.125 -2.235 6.249 1.00 0.00 C ATOM 0 H ILE A 28 -11.681 -4.469 4.741 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.721 -3.361 4.062 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.582 -4.537 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.875 -4.116 7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.900 -2.814 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.786 -2.180 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.262 -2.846 5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.637 -1.717 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.960 -1.924 6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.518 -1.366 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.508 -2.689 5.335 1.00 0.00 H new ATOM 449 N LEU A 29 -8.417 -5.188 2.813 1.00 0.00 N ATOM 450 CA LEU A 29 -7.405 -6.087 2.172 1.00 0.00 C ATOM 451 C LEU A 29 -6.168 -5.315 1.703 1.00 0.00 C ATOM 452 O LEU A 29 -6.273 -4.306 1.038 1.00 0.00 O ATOM 453 CB LEU A 29 -8.116 -6.681 0.953 1.00 0.00 C ATOM 454 CG LEU A 29 -8.592 -8.102 1.252 1.00 0.00 C ATOM 455 CD1 LEU A 29 -9.325 -8.653 0.029 1.00 0.00 C ATOM 456 CD2 LEU A 29 -7.394 -8.998 1.557 1.00 0.00 C ATOM 0 H LEU A 29 -9.021 -4.681 2.166 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.056 -6.839 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.966 -6.056 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.440 -6.690 0.098 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.259 -8.083 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.667 -9.667 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.183 -8.020 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.648 -8.666 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.741 -10.009 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.725 -9.017 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.860 -8.608 2.423 1.00 0.00 H new ATOM 468 N ILE A 30 -4.996 -5.807 2.011 1.00 0.00 N ATOM 469 CA ILE A 30 -3.761 -5.120 1.542 1.00 0.00 C ATOM 470 C ILE A 30 -3.689 -5.221 0.016 1.00 0.00 C ATOM 471 O ILE A 30 -3.905 -6.271 -0.555 1.00 0.00 O ATOM 472 CB ILE A 30 -2.604 -5.873 2.199 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.608 -5.592 3.701 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.270 -5.408 1.602 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.442 -6.332 4.356 1.00 0.00 C ATOM 0 H ILE A 30 -4.843 -6.650 2.564 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.734 -4.062 1.803 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.724 -6.941 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.522 -4.521 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.552 -5.915 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.451 -5.949 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.263 -5.605 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.147 -4.339 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.441 -6.134 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.549 -7.403 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.503 -5.987 3.923 1.00 0.00 H new ATOM 487 N SER A 31 -3.402 -4.140 -0.651 1.00 0.00 N ATOM 488 CA SER A 31 -3.337 -4.187 -2.140 1.00 0.00 C ATOM 489 C SER A 31 -1.927 -3.868 -2.634 1.00 0.00 C ATOM 490 O SER A 31 -1.588 -4.135 -3.770 1.00 0.00 O ATOM 491 CB SER A 31 -4.322 -3.117 -2.611 1.00 0.00 C ATOM 492 OG SER A 31 -4.438 -3.170 -4.025 1.00 0.00 O ATOM 0 H SER A 31 -3.210 -3.229 -0.234 1.00 0.00 H new ATOM 0 HA SER A 31 -3.584 -5.176 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.296 -3.276 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.979 -2.130 -2.300 1.00 0.00 H new ATOM 0 HG SER A 31 -4.483 -2.259 -4.384 1.00 0.00 H new ATOM 498 N LYS A 32 -1.099 -3.296 -1.802 1.00 0.00 N ATOM 499 CA LYS A 32 0.282 -2.968 -2.258 1.00 0.00 C ATOM 500 C LYS A 32 1.289 -3.115 -1.117 1.00 0.00 C ATOM 501 O LYS A 32 1.360 -2.290 -0.228 1.00 0.00 O ATOM 502 CB LYS A 32 0.217 -1.509 -2.707 1.00 0.00 C ATOM 503 CG LYS A 32 0.807 -1.374 -4.112 1.00 0.00 C ATOM 504 CD LYS A 32 1.797 -0.206 -4.130 1.00 0.00 C ATOM 505 CE LYS A 32 1.068 1.084 -3.749 1.00 0.00 C ATOM 506 NZ LYS A 32 0.000 1.239 -4.777 1.00 0.00 N ATOM 0 H LYS A 32 -1.315 -3.044 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 32 0.607 -3.638 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.817 -1.163 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.768 -0.879 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.310 -2.298 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.012 -1.205 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.613 -0.395 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.241 -0.107 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.645 1.017 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.747 1.937 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.221 2.248 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.329 0.845 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.854 0.732 -4.469 1.00 0.00 H new ATOM 520 N ILE A 33 2.089 -4.143 -1.151 1.00 0.00 N ATOM 521 CA ILE A 33 3.111 -4.318 -0.086 1.00 0.00 C ATOM 522 C ILE A 33 4.420 -3.683 -0.557 1.00 0.00 C ATOM 523 O ILE A 33 5.019 -4.109 -1.523 1.00 0.00 O ATOM 524 CB ILE A 33 3.238 -5.836 0.099 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.032 -6.337 0.893 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.516 -6.183 0.870 1.00 0.00 C ATOM 527 CD1 ILE A 33 2.009 -5.662 2.267 1.00 0.00 C ATOM 0 H ILE A 33 2.079 -4.867 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 33 2.849 -3.841 0.858 1.00 0.00 H new ATOM 0 HB ILE A 33 3.279 -6.309 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.111 -6.118 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.084 -7.420 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.586 -7.264 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.384 -5.822 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.488 -5.710 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.149 -6.019 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.925 -5.904 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.937 -4.582 2.141 1.00 0.00 H new ATOM 539 N PHE A 34 4.854 -2.655 0.110 1.00 0.00 N ATOM 540 CA PHE A 34 6.108 -1.974 -0.303 1.00 0.00 C ATOM 541 C PHE A 34 7.305 -2.906 -0.089 1.00 0.00 C ATOM 542 O PHE A 34 7.421 -3.551 0.931 1.00 0.00 O ATOM 543 CB PHE A 34 6.191 -0.741 0.598 1.00 0.00 C ATOM 544 CG PHE A 34 5.309 0.354 0.038 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.926 0.150 -0.097 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.874 1.573 -0.350 1.00 0.00 C ATOM 547 CE1 PHE A 34 3.119 1.165 -0.620 1.00 0.00 C ATOM 548 CE2 PHE A 34 5.064 2.587 -0.871 1.00 0.00 C ATOM 549 CZ PHE A 34 3.686 2.382 -1.007 1.00 0.00 C ATOM 0 H PHE A 34 4.392 -2.255 0.927 1.00 0.00 H new ATOM 0 HA PHE A 34 6.117 -1.701 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.875 -0.995 1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.222 -0.394 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.486 -0.790 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.937 1.732 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.056 1.008 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.502 3.528 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.061 3.165 -1.411 1.00 0.00 H new ATOM 559 N LYS A 35 8.183 -2.996 -1.051 1.00 0.00 N ATOM 560 CA LYS A 35 9.360 -3.905 -0.903 1.00 0.00 C ATOM 561 C LYS A 35 10.445 -3.254 -0.044 1.00 0.00 C ATOM 562 O LYS A 35 10.569 -2.049 0.014 1.00 0.00 O ATOM 563 CB LYS A 35 9.865 -4.136 -2.328 1.00 0.00 C ATOM 564 CG LYS A 35 9.821 -5.632 -2.648 1.00 0.00 C ATOM 565 CD LYS A 35 8.368 -6.111 -2.649 1.00 0.00 C ATOM 566 CE LYS A 35 7.687 -5.668 -3.947 1.00 0.00 C ATOM 567 NZ LYS A 35 6.453 -4.958 -3.506 1.00 0.00 N ATOM 0 H LYS A 35 8.138 -2.482 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 35 9.093 -4.838 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.249 -3.583 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.883 -3.761 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.278 -5.821 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.398 -6.190 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.331 -7.197 -2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.838 -5.701 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.334 -5.012 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.447 -6.523 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.625 -5.376 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.349 -5.050 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.523 -3.952 -3.758 1.00 0.00 H new ATOM 581 N GLY A 36 11.229 -4.052 0.629 1.00 0.00 N ATOM 582 CA GLY A 36 12.304 -3.491 1.493 1.00 0.00 C ATOM 583 C GLY A 36 11.672 -2.680 2.630 1.00 0.00 C ATOM 584 O GLY A 36 12.329 -1.888 3.277 1.00 0.00 O ATOM 0 H GLY A 36 11.170 -5.070 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.915 -4.296 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.966 -2.857 0.903 1.00 0.00 H new ATOM 588 N LEU A 37 10.399 -2.866 2.875 1.00 0.00 N ATOM 589 CA LEU A 37 9.731 -2.100 3.965 1.00 0.00 C ATOM 590 C LEU A 37 9.483 -3.006 5.177 1.00 0.00 C ATOM 591 O LEU A 37 9.568 -4.214 5.088 1.00 0.00 O ATOM 592 CB LEU A 37 8.402 -1.638 3.363 1.00 0.00 C ATOM 593 CG LEU A 37 8.530 -0.208 2.822 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.975 0.732 3.943 1.00 0.00 C ATOM 595 CD2 LEU A 37 9.551 -0.172 1.684 1.00 0.00 C ATOM 0 H LEU A 37 9.797 -3.514 2.367 1.00 0.00 H new ATOM 0 HA LEU A 37 10.337 -1.264 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.105 -2.312 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.619 -1.679 4.120 1.00 0.00 H new ATOM 0 HG LEU A 37 7.561 0.117 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.064 1.746 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.238 0.715 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.940 0.406 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.637 0.846 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.521 -0.504 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.224 -0.832 0.881 1.00 0.00 H new ATOM 607 N ALA A 38 9.179 -2.429 6.312 1.00 0.00 N ATOM 608 CA ALA A 38 8.928 -3.251 7.536 1.00 0.00 C ATOM 609 C ALA A 38 7.960 -4.399 7.238 1.00 0.00 C ATOM 610 O ALA A 38 8.307 -5.559 7.339 1.00 0.00 O ATOM 611 CB ALA A 38 8.303 -2.278 8.538 1.00 0.00 C ATOM 0 H ALA A 38 9.093 -1.421 6.445 1.00 0.00 H new ATOM 0 HA ALA A 38 9.844 -3.708 7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.087 -2.803 9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.998 -1.462 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.378 -1.875 8.125 1.00 0.00 H new ATOM 617 N ALA A 39 6.746 -4.085 6.880 1.00 0.00 N ATOM 618 CA ALA A 39 5.752 -5.158 6.586 1.00 0.00 C ATOM 619 C ALA A 39 6.333 -6.181 5.605 1.00 0.00 C ATOM 620 O ALA A 39 6.321 -7.369 5.853 1.00 0.00 O ATOM 621 CB ALA A 39 4.563 -4.429 5.959 1.00 0.00 C ATOM 0 H ALA A 39 6.398 -3.132 6.778 1.00 0.00 H new ATOM 0 HA ALA A 39 5.471 -5.712 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.783 -5.150 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.170 -3.698 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.886 -3.919 5.052 1.00 0.00 H new ATOM 627 N ASP A 40 6.833 -5.733 4.488 1.00 0.00 N ATOM 628 CA ASP A 40 7.399 -6.688 3.494 1.00 0.00 C ATOM 629 C ASP A 40 8.745 -7.251 3.971 1.00 0.00 C ATOM 630 O ASP A 40 9.317 -8.117 3.338 1.00 0.00 O ATOM 631 CB ASP A 40 7.579 -5.867 2.218 1.00 0.00 C ATOM 632 CG ASP A 40 8.205 -6.744 1.131 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.469 -7.480 0.495 1.00 0.00 O ATOM 634 OD2 ASP A 40 9.409 -6.665 0.955 1.00 0.00 O ATOM 0 H ASP A 40 6.875 -4.750 4.220 1.00 0.00 H new ATOM 0 HA ASP A 40 6.747 -7.548 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.616 -5.483 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.215 -5.004 2.415 1.00 0.00 H new ATOM 639 N GLN A 41 9.260 -6.780 5.077 1.00 0.00 N ATOM 640 CA GLN A 41 10.567 -7.315 5.564 1.00 0.00 C ATOM 641 C GLN A 41 10.352 -8.403 6.626 1.00 0.00 C ATOM 642 O GLN A 41 11.297 -8.918 7.191 1.00 0.00 O ATOM 643 CB GLN A 41 11.300 -6.117 6.171 1.00 0.00 C ATOM 644 CG GLN A 41 12.116 -5.402 5.088 1.00 0.00 C ATOM 645 CD GLN A 41 12.887 -4.235 5.711 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.263 -3.398 6.490 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 14.072 -4.086 5.486 1.00 0.00 N flip ATOM 0 H GLN A 41 8.838 -6.056 5.659 1.00 0.00 H new ATOM 0 HA GLN A 41 11.136 -7.774 4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.582 -5.426 6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.958 -6.450 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.810 -6.101 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.455 -5.036 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.562 -4.741 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.577 -3.306 5.907 1.00 0.00 H new ATOM 656 N THR A 42 9.126 -8.763 6.907 1.00 0.00 N ATOM 657 CA THR A 42 8.884 -9.818 7.935 1.00 0.00 C ATOM 658 C THR A 42 8.425 -11.127 7.275 1.00 0.00 C ATOM 659 O THR A 42 7.924 -12.017 7.934 1.00 0.00 O ATOM 660 CB THR A 42 7.783 -9.253 8.835 1.00 0.00 C ATOM 661 OG1 THR A 42 7.456 -10.207 9.836 1.00 0.00 O ATOM 662 CG2 THR A 42 6.539 -8.942 8.000 1.00 0.00 C ATOM 0 H THR A 42 8.288 -8.375 6.473 1.00 0.00 H new ATOM 0 HA THR A 42 9.789 -10.055 8.495 1.00 0.00 H new ATOM 0 HB THR A 42 8.137 -8.336 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.646 -11.109 9.503 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.758 -8.540 8.646 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.789 -8.208 7.234 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.182 -9.856 7.525 1.00 0.00 H new ATOM 670 N GLU A 43 8.597 -11.256 5.983 1.00 0.00 N ATOM 671 CA GLU A 43 8.176 -12.513 5.288 1.00 0.00 C ATOM 672 C GLU A 43 6.761 -12.926 5.711 1.00 0.00 C ATOM 673 O GLU A 43 6.542 -14.018 6.195 1.00 0.00 O ATOM 674 CB GLU A 43 9.192 -13.567 5.728 1.00 0.00 C ATOM 675 CG GLU A 43 9.023 -14.828 4.879 1.00 0.00 C ATOM 676 CD GLU A 43 9.965 -15.919 5.391 1.00 0.00 C ATOM 677 OE1 GLU A 43 10.024 -16.104 6.595 1.00 0.00 O ATOM 678 OE2 GLU A 43 10.609 -16.551 4.572 1.00 0.00 O ATOM 0 H GLU A 43 9.011 -10.546 5.379 1.00 0.00 H new ATOM 0 HA GLU A 43 8.152 -12.388 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.204 -13.178 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.051 -13.805 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.990 -15.174 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.240 -14.607 3.834 1.00 0.00 H new ATOM 685 N ALA A 44 5.799 -12.063 5.533 1.00 0.00 N ATOM 686 CA ALA A 44 4.403 -12.412 5.929 1.00 0.00 C ATOM 687 C ALA A 44 3.436 -11.313 5.484 1.00 0.00 C ATOM 688 O ALA A 44 2.383 -11.585 4.944 1.00 0.00 O ATOM 689 CB ALA A 44 4.440 -12.516 7.451 1.00 0.00 C ATOM 0 H ALA A 44 5.917 -11.133 5.131 1.00 0.00 H new ATOM 0 HA ALA A 44 4.060 -13.338 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.447 -12.771 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.148 -13.291 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.751 -11.561 7.874 1.00 0.00 H new ATOM 695 N LEU A 45 3.784 -10.072 5.691 1.00 0.00 N ATOM 696 CA LEU A 45 2.876 -8.976 5.255 1.00 0.00 C ATOM 697 C LEU A 45 2.855 -8.936 3.726 1.00 0.00 C ATOM 698 O LEU A 45 3.551 -8.161 3.100 1.00 0.00 O ATOM 699 CB LEU A 45 3.476 -7.694 5.832 1.00 0.00 C ATOM 700 CG LEU A 45 2.419 -6.961 6.666 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.198 -6.652 5.798 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.993 -7.843 7.842 1.00 0.00 C ATOM 0 H LEU A 45 4.650 -9.772 6.139 1.00 0.00 H new ATOM 0 HA LEU A 45 1.850 -9.109 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.341 -7.932 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.828 -7.050 5.026 1.00 0.00 H new ATOM 0 HG LEU A 45 2.842 -6.029 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.450 -6.131 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.497 -6.022 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.776 -7.583 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.242 -7.321 8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.574 -8.776 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.860 -8.061 8.466 1.00 0.00 H new ATOM 714 N PHE A 46 2.065 -9.783 3.126 1.00 0.00 N ATOM 715 CA PHE A 46 1.994 -9.823 1.628 1.00 0.00 C ATOM 716 C PHE A 46 0.620 -9.338 1.149 1.00 0.00 C ATOM 717 O PHE A 46 -0.374 -9.496 1.824 1.00 0.00 O ATOM 718 CB PHE A 46 2.240 -11.293 1.186 1.00 0.00 C ATOM 719 CG PHE A 46 1.855 -12.295 2.262 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.529 -12.382 2.695 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.831 -13.128 2.829 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.173 -13.299 3.691 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.475 -14.047 3.825 1.00 0.00 C ATOM 724 CZ PHE A 46 1.147 -14.132 4.255 1.00 0.00 C ATOM 0 H PHE A 46 1.462 -10.452 3.605 1.00 0.00 H new ATOM 0 HA PHE A 46 2.746 -9.166 1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.668 -11.498 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.292 -11.422 0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.223 -11.740 2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.857 -13.061 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.852 -13.364 4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.226 -14.690 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.873 -14.841 5.023 1.00 0.00 H new ATOM 734 N VAL A 47 0.561 -8.737 -0.010 1.00 0.00 N ATOM 735 CA VAL A 47 -0.746 -8.232 -0.531 1.00 0.00 C ATOM 736 C VAL A 47 -1.816 -9.330 -0.447 1.00 0.00 C ATOM 737 O VAL A 47 -1.520 -10.473 -0.164 1.00 0.00 O ATOM 738 CB VAL A 47 -0.472 -7.848 -1.990 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.766 -7.370 -2.649 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.564 -6.721 -2.036 1.00 0.00 C ATOM 0 H VAL A 47 1.362 -8.573 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.121 -7.387 0.046 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.092 -8.718 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.567 -7.098 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.506 -8.169 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.148 -6.501 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.759 -6.448 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.182 -5.853 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.490 -7.058 -1.570 1.00 0.00 H new ATOM 750 N GLY A 48 -3.059 -8.989 -0.675 1.00 0.00 N ATOM 751 CA GLY A 48 -4.139 -10.012 -0.591 1.00 0.00 C ATOM 752 C GLY A 48 -4.296 -10.433 0.866 1.00 0.00 C ATOM 753 O GLY A 48 -4.606 -11.568 1.170 1.00 0.00 O ATOM 0 H GLY A 48 -3.370 -8.048 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.076 -9.605 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.892 -10.875 -1.210 1.00 0.00 H new ATOM 757 N ASP A 49 -4.072 -9.522 1.770 1.00 0.00 N ATOM 758 CA ASP A 49 -4.194 -9.856 3.215 1.00 0.00 C ATOM 759 C ASP A 49 -5.292 -9.019 3.864 1.00 0.00 C ATOM 760 O ASP A 49 -5.147 -7.828 4.057 1.00 0.00 O ATOM 761 CB ASP A 49 -2.832 -9.499 3.807 1.00 0.00 C ATOM 762 CG ASP A 49 -1.878 -10.685 3.658 1.00 0.00 C ATOM 763 OD1 ASP A 49 -2.257 -11.656 3.022 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.782 -10.602 4.187 1.00 0.00 O ATOM 0 H ASP A 49 -3.809 -8.557 1.569 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.458 -10.901 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.423 -8.625 3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.940 -9.237 4.859 1.00 0.00 H new ATOM 769 N ALA A 50 -6.392 -9.629 4.201 1.00 0.00 N ATOM 770 CA ALA A 50 -7.495 -8.860 4.837 1.00 0.00 C ATOM 771 C ALA A 50 -7.279 -8.778 6.348 1.00 0.00 C ATOM 772 O ALA A 50 -7.487 -9.734 7.067 1.00 0.00 O ATOM 773 CB ALA A 50 -8.760 -9.647 4.509 1.00 0.00 C ATOM 0 H ALA A 50 -6.575 -10.623 4.064 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.551 -7.834 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.624 -9.145 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.881 -9.707 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.680 -10.653 4.921 1.00 0.00 H new ATOM 779 N ILE A 51 -6.859 -7.643 6.833 1.00 0.00 N ATOM 780 CA ILE A 51 -6.628 -7.503 8.297 1.00 0.00 C ATOM 781 C ILE A 51 -7.962 -7.508 9.043 1.00 0.00 C ATOM 782 O ILE A 51 -8.900 -6.838 8.661 1.00 0.00 O ATOM 783 CB ILE A 51 -5.928 -6.157 8.465 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.608 -6.171 7.683 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.651 -5.916 9.952 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.821 -4.890 7.968 1.00 0.00 C ATOM 0 H ILE A 51 -6.666 -6.808 6.280 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.033 -8.323 8.700 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.563 -5.358 8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.017 -7.042 7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.809 -6.255 6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.151 -4.956 10.078 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.593 -5.910 10.501 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.012 -6.711 10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.885 -4.906 7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.410 -4.025 7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.606 -4.825 9.035 1.00 0.00 H new ATOM 798 N LEU A 52 -8.052 -8.255 10.106 1.00 0.00 N ATOM 799 CA LEU A 52 -9.328 -8.297 10.874 1.00 0.00 C ATOM 800 C LEU A 52 -9.055 -8.122 12.372 1.00 0.00 C ATOM 801 O LEU A 52 -9.892 -8.420 13.201 1.00 0.00 O ATOM 802 CB LEU A 52 -9.928 -9.671 10.586 1.00 0.00 C ATOM 803 CG LEU A 52 -10.789 -9.588 9.322 1.00 0.00 C ATOM 804 CD1 LEU A 52 -9.939 -9.938 8.098 1.00 0.00 C ATOM 805 CD2 LEU A 52 -11.954 -10.572 9.427 1.00 0.00 C ATOM 0 H LEU A 52 -7.301 -8.837 10.476 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.007 -7.495 10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.135 -10.407 10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.532 -10.002 11.431 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.177 -8.575 9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.553 -9.878 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.110 -9.235 8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.548 -10.950 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.565 -10.510 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.566 -11.585 9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.563 -10.323 10.296 1.00 0.00 H new ATOM 817 N SER A 53 -7.896 -7.623 12.726 1.00 0.00 N ATOM 818 CA SER A 53 -7.568 -7.403 14.168 1.00 0.00 C ATOM 819 C SER A 53 -6.117 -6.943 14.309 1.00 0.00 C ATOM 820 O SER A 53 -5.209 -7.746 14.397 1.00 0.00 O ATOM 821 CB SER A 53 -7.764 -8.752 14.868 1.00 0.00 C ATOM 822 OG SER A 53 -8.735 -8.619 15.895 1.00 0.00 O ATOM 0 H SER A 53 -7.159 -7.357 12.073 1.00 0.00 H new ATOM 0 HA SER A 53 -8.204 -6.635 14.607 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.083 -9.504 14.147 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.819 -9.095 15.289 1.00 0.00 H new ATOM 0 HG SER A 53 -8.860 -9.483 16.340 1.00 0.00 H new ATOM 828 N VAL A 54 -5.886 -5.658 14.334 1.00 0.00 N ATOM 829 CA VAL A 54 -4.484 -5.167 14.473 1.00 0.00 C ATOM 830 C VAL A 54 -4.146 -4.973 15.952 1.00 0.00 C ATOM 831 O VAL A 54 -4.852 -4.305 16.678 1.00 0.00 O ATOM 832 CB VAL A 54 -4.433 -3.831 13.722 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.874 -4.035 12.276 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.360 -2.820 14.388 1.00 0.00 C ATOM 0 H VAL A 54 -6.600 -4.933 14.265 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.760 -5.874 14.067 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.410 -3.455 13.746 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.836 -3.083 11.746 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.208 -4.748 11.790 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.893 -4.420 12.257 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.316 -1.875 13.847 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.382 -3.199 14.374 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.045 -2.662 15.420 1.00 0.00 H new ATOM 844 N ASN A 55 -3.068 -5.560 16.405 1.00 0.00 N ATOM 845 CA ASN A 55 -2.675 -5.421 17.838 1.00 0.00 C ATOM 846 C ASN A 55 -3.806 -5.918 18.742 1.00 0.00 C ATOM 847 O ASN A 55 -4.082 -5.347 19.778 1.00 0.00 O ATOM 848 CB ASN A 55 -2.429 -3.925 18.054 1.00 0.00 C ATOM 849 CG ASN A 55 -1.459 -3.401 16.992 1.00 0.00 C ATOM 850 OD1 ASN A 55 -0.478 -4.162 16.592 1.00 0.00 O flip ATOM 851 ND2 ASN A 55 -1.597 -2.290 16.520 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.440 -6.132 15.840 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.789 -6.009 18.079 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.372 -3.380 17.999 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.020 -3.754 19.050 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.364 -1.695 16.833 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.946 -1.953 15.811 1.00 0.00 H new ATOM 858 N GLY A 56 -4.464 -6.975 18.354 1.00 0.00 N ATOM 859 CA GLY A 56 -5.577 -7.506 19.190 1.00 0.00 C ATOM 860 C GLY A 56 -6.754 -6.531 19.138 1.00 0.00 C ATOM 861 O GLY A 56 -7.522 -6.418 20.072 1.00 0.00 O ATOM 0 H GLY A 56 -4.280 -7.494 17.495 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.885 -8.486 18.827 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.244 -7.638 20.219 1.00 0.00 H new ATOM 865 N GLU A 57 -6.901 -5.826 18.050 1.00 0.00 N ATOM 866 CA GLU A 57 -8.032 -4.858 17.936 1.00 0.00 C ATOM 867 C GLU A 57 -8.974 -5.301 16.819 1.00 0.00 C ATOM 868 O GLU A 57 -8.779 -4.955 15.671 1.00 0.00 O ATOM 869 CB GLU A 57 -7.377 -3.522 17.586 1.00 0.00 C ATOM 870 CG GLU A 57 -8.205 -2.378 18.173 1.00 0.00 C ATOM 871 CD GLU A 57 -7.384 -1.088 18.141 1.00 0.00 C ATOM 872 OE1 GLU A 57 -6.510 -0.986 17.294 1.00 0.00 O ATOM 873 OE2 GLU A 57 -7.642 -0.225 18.962 1.00 0.00 O ATOM 0 H GLU A 57 -6.289 -5.877 17.236 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.621 -4.791 18.851 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.361 -3.489 17.980 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.303 -3.414 16.504 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.125 -2.251 17.603 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.495 -2.612 19.197 1.00 0.00 H new ATOM 880 N ASP A 58 -9.983 -6.076 17.155 1.00 0.00 N ATOM 881 CA ASP A 58 -10.954 -6.586 16.131 1.00 0.00 C ATOM 882 C ASP A 58 -11.263 -5.537 15.058 1.00 0.00 C ATOM 883 O ASP A 58 -12.030 -4.618 15.266 1.00 0.00 O ATOM 884 CB ASP A 58 -12.217 -6.923 16.925 1.00 0.00 C ATOM 885 CG ASP A 58 -12.024 -8.256 17.649 1.00 0.00 C ATOM 886 OD1 ASP A 58 -12.062 -9.279 16.986 1.00 0.00 O ATOM 887 OD2 ASP A 58 -11.842 -8.233 18.856 1.00 0.00 O ATOM 0 H ASP A 58 -10.176 -6.380 18.109 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.548 -7.444 15.596 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.428 -6.133 17.646 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.075 -6.981 16.256 1.00 0.00 H new ATOM 892 N LEU A 59 -10.664 -5.681 13.910 1.00 0.00 N ATOM 893 CA LEU A 59 -10.904 -4.713 12.803 1.00 0.00 C ATOM 894 C LEU A 59 -12.059 -5.190 11.914 1.00 0.00 C ATOM 895 O LEU A 59 -12.579 -4.444 11.107 1.00 0.00 O ATOM 896 CB LEU A 59 -9.592 -4.696 12.015 1.00 0.00 C ATOM 897 CG LEU A 59 -8.996 -3.289 12.037 1.00 0.00 C ATOM 898 CD1 LEU A 59 -9.981 -2.312 11.397 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.721 -2.866 13.482 1.00 0.00 C ATOM 0 H LEU A 59 -10.013 -6.434 13.689 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.180 -3.724 13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.888 -5.407 12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.770 -5.010 10.986 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.060 -3.284 11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.558 -1.307 11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.172 -2.611 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.917 -2.320 11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.296 -1.862 13.493 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.653 -2.871 14.046 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.017 -3.563 13.937 1.00 0.00 H new ATOM 911 N SER A 60 -12.467 -6.427 12.050 1.00 0.00 N ATOM 912 CA SER A 60 -13.587 -6.938 11.208 1.00 0.00 C ATOM 913 C SER A 60 -14.804 -6.018 11.333 1.00 0.00 C ATOM 914 O SER A 60 -15.514 -5.782 10.376 1.00 0.00 O ATOM 915 CB SER A 60 -13.904 -8.325 11.769 1.00 0.00 C ATOM 916 OG SER A 60 -12.736 -9.133 11.722 1.00 0.00 O ATOM 0 H SER A 60 -12.073 -7.102 12.706 1.00 0.00 H new ATOM 0 HA SER A 60 -13.325 -6.976 10.151 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.260 -8.241 12.796 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.704 -8.789 11.191 1.00 0.00 H new ATOM 0 HG SER A 60 -12.925 -10.005 12.127 1.00 0.00 H new ATOM 922 N SER A 61 -15.047 -5.495 12.502 1.00 0.00 N ATOM 923 CA SER A 61 -16.216 -4.589 12.684 1.00 0.00 C ATOM 924 C SER A 61 -15.769 -3.130 12.582 1.00 0.00 C ATOM 925 O SER A 61 -16.387 -2.240 13.131 1.00 0.00 O ATOM 926 CB SER A 61 -16.739 -4.892 14.088 1.00 0.00 C ATOM 927 OG SER A 61 -17.230 -6.224 14.134 1.00 0.00 O ATOM 0 H SER A 61 -14.487 -5.655 13.339 1.00 0.00 H new ATOM 0 HA SER A 61 -16.982 -4.743 11.924 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.942 -4.761 14.820 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.532 -4.192 14.351 1.00 0.00 H new ATOM 0 HG SER A 61 -17.564 -6.419 15.035 1.00 0.00 H new ATOM 933 N ALA A 62 -14.696 -2.879 11.882 1.00 0.00 N ATOM 934 CA ALA A 62 -14.206 -1.478 11.744 1.00 0.00 C ATOM 935 C ALA A 62 -14.181 -1.069 10.270 1.00 0.00 C ATOM 936 O ALA A 62 -14.125 -1.898 9.385 1.00 0.00 O ATOM 937 CB ALA A 62 -12.790 -1.494 12.318 1.00 0.00 C ATOM 0 H ALA A 62 -14.138 -3.583 11.400 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.848 -0.765 12.261 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.359 -0.495 12.252 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.824 -1.806 13.362 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.175 -2.192 11.750 1.00 0.00 H new ATOM 943 N THR A 63 -14.218 0.207 10.000 1.00 0.00 N ATOM 944 CA THR A 63 -14.193 0.669 8.584 1.00 0.00 C ATOM 945 C THR A 63 -12.750 0.857 8.119 1.00 0.00 C ATOM 946 O THR A 63 -11.834 0.910 8.916 1.00 0.00 O ATOM 947 CB THR A 63 -14.937 2.006 8.587 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.386 2.850 9.589 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.419 1.767 8.875 1.00 0.00 C ATOM 0 H THR A 63 -14.264 0.949 10.698 1.00 0.00 H new ATOM 0 HA THR A 63 -14.655 -0.049 7.906 1.00 0.00 H new ATOM 0 HB THR A 63 -14.832 2.483 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.860 3.708 9.591 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.948 2.720 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.840 1.120 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.528 1.290 9.849 1.00 0.00 H new ATOM 957 N HIS A 64 -12.536 0.965 6.834 1.00 0.00 N ATOM 958 CA HIS A 64 -11.146 1.156 6.327 1.00 0.00 C ATOM 959 C HIS A 64 -10.488 2.332 7.061 1.00 0.00 C ATOM 960 O HIS A 64 -9.282 2.391 7.194 1.00 0.00 O ATOM 961 CB HIS A 64 -11.313 1.438 4.824 1.00 0.00 C ATOM 962 CG HIS A 64 -10.022 1.939 4.225 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.195 2.981 4.560 1.00 0.00 N flip ATOM 964 CD2 HIS A 64 -9.449 1.353 3.110 1.00 0.00 C flip ATOM 965 CE1 HIS A 64 -8.131 3.044 3.673 1.00 0.00 C flip ATOM 966 NE2 HIS A 64 -8.332 2.044 2.820 1.00 0.00 N flip ATOM 0 H HIS A 64 -13.260 0.929 6.117 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.503 0.292 6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.628 0.529 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -12.100 2.177 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.829 0.498 2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.316 3.752 3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.713 1.827 2.039 1.00 0.00 H new ATOM 974 N ASP A 65 -11.267 3.257 7.554 1.00 0.00 N ATOM 975 CA ASP A 65 -10.673 4.407 8.291 1.00 0.00 C ATOM 976 C ASP A 65 -10.185 3.927 9.655 1.00 0.00 C ATOM 977 O ASP A 65 -9.129 4.306 10.123 1.00 0.00 O ATOM 978 CB ASP A 65 -11.809 5.417 8.444 1.00 0.00 C ATOM 979 CG ASP A 65 -12.070 6.098 7.099 1.00 0.00 C ATOM 980 OD1 ASP A 65 -11.149 6.704 6.576 1.00 0.00 O ATOM 981 OD2 ASP A 65 -13.185 6.001 6.614 1.00 0.00 O ATOM 0 H ASP A 65 -12.284 3.266 7.478 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.821 4.848 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.712 4.915 8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.549 6.162 9.196 1.00 0.00 H new ATOM 986 N GLU A 66 -10.944 3.076 10.289 1.00 0.00 N ATOM 987 CA GLU A 66 -10.528 2.545 11.615 1.00 0.00 C ATOM 988 C GLU A 66 -9.350 1.586 11.433 1.00 0.00 C ATOM 989 O GLU A 66 -8.549 1.387 12.325 1.00 0.00 O ATOM 990 CB GLU A 66 -11.755 1.798 12.140 1.00 0.00 C ATOM 991 CG GLU A 66 -12.691 2.786 12.839 1.00 0.00 C ATOM 992 CD GLU A 66 -12.886 2.360 14.296 1.00 0.00 C ATOM 993 OE1 GLU A 66 -13.671 1.456 14.529 1.00 0.00 O ATOM 994 OE2 GLU A 66 -12.247 2.946 15.154 1.00 0.00 O ATOM 0 H GLU A 66 -11.837 2.725 9.943 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.206 3.327 12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.275 1.307 11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.449 1.016 12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.273 3.792 12.796 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.652 2.818 12.326 1.00 0.00 H new ATOM 1001 N ALA A 67 -9.239 0.996 10.274 1.00 0.00 N ATOM 1002 CA ALA A 67 -8.115 0.055 10.018 1.00 0.00 C ATOM 1003 C ALA A 67 -6.824 0.836 9.778 1.00 0.00 C ATOM 1004 O ALA A 67 -5.771 0.479 10.268 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.516 -0.710 8.756 1.00 0.00 C ATOM 0 H ALA A 67 -9.881 1.126 9.492 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.936 -0.614 10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.735 -1.426 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.451 -1.241 8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.648 -0.009 7.932 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.894 1.904 9.029 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.659 2.698 8.765 1.00 0.00 C ATOM 1013 C VAL A 68 -5.241 3.412 10.048 1.00 0.00 C ATOM 1014 O VAL A 68 -4.074 3.640 10.294 1.00 0.00 O ATOM 1015 CB VAL A 68 -6.019 3.723 7.677 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.728 4.327 7.122 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.781 3.061 6.523 1.00 0.00 C ATOM 0 H VAL A 68 -7.745 2.259 8.592 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.832 2.066 8.440 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.653 4.490 8.122 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.970 5.056 6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.181 4.819 7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.111 3.537 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.022 3.810 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.161 2.283 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.702 2.618 6.902 1.00 0.00 H new ATOM 1027 N GLN A 69 -6.190 3.756 10.876 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.848 4.442 12.151 1.00 0.00 C ATOM 1029 C GLN A 69 -4.914 3.549 12.966 1.00 0.00 C ATOM 1030 O GLN A 69 -3.962 4.011 13.563 1.00 0.00 O ATOM 1031 CB GLN A 69 -7.181 4.634 12.874 1.00 0.00 C ATOM 1032 CG GLN A 69 -7.845 5.927 12.393 1.00 0.00 C ATOM 1033 CD GLN A 69 -7.608 7.035 13.421 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -7.707 6.807 14.610 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -7.299 8.234 13.010 1.00 0.00 N ATOM 0 H GLN A 69 -7.185 3.591 10.724 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.340 5.394 11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.836 3.784 12.682 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.019 4.675 13.951 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.437 6.220 11.426 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.914 5.769 12.253 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.216 8.425 12.012 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.140 8.980 13.687 1.00 0.00 H new ATOM 1044 N ALA A 70 -5.167 2.268 12.978 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.278 1.349 13.735 1.00 0.00 C ATOM 1046 C ALA A 70 -2.922 1.291 13.038 1.00 0.00 C ATOM 1047 O ALA A 70 -1.886 1.402 13.660 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.976 -0.010 13.681 1.00 0.00 C ATOM 0 H ALA A 70 -5.948 1.822 12.497 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.107 1.666 14.764 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.380 -0.747 14.220 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.960 0.068 14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.086 -0.322 12.642 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.930 1.129 11.743 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.653 1.075 10.980 1.00 0.00 C ATOM 1056 C LEU A 71 -0.844 2.351 11.239 1.00 0.00 C ATOM 1057 O LEU A 71 0.371 2.342 11.213 1.00 0.00 O ATOM 1058 CB LEU A 71 -2.069 0.996 9.500 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.226 -0.464 9.035 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -0.974 -1.271 9.382 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -3.448 -1.101 9.700 1.00 0.00 C ATOM 0 H LEU A 71 -3.773 1.031 11.178 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.031 0.228 11.270 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.010 1.528 9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.322 1.497 8.884 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.363 -0.468 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.100 -2.301 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.109 -0.832 8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.819 -1.257 10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.549 -2.133 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.324 -1.083 10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.343 -0.542 9.428 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.507 3.451 11.495 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.770 4.722 11.757 1.00 0.00 C ATOM 1075 C LYS A 72 -0.291 4.759 13.211 1.00 0.00 C ATOM 1076 O LYS A 72 0.819 5.163 13.498 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.789 5.833 11.495 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.160 7.192 11.812 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.004 7.461 10.846 1.00 0.00 C ATOM 1080 CE LYS A 72 -0.544 7.555 9.417 1.00 0.00 C ATOM 1081 NZ LYS A 72 -0.212 8.940 8.976 1.00 0.00 N ATOM 0 H LYS A 72 -2.524 3.523 11.534 1.00 0.00 H new ATOM 0 HA LYS A 72 0.114 4.828 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.113 5.805 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.676 5.679 12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.909 7.979 11.727 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.799 7.206 12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.502 8.388 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.735 6.663 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.080 6.811 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.619 7.377 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.550 9.085 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.673 9.625 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.818 9.077 9.009 1.00 0.00 H new ATOM 1095 N LYS A 73 -1.115 4.334 14.130 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.701 4.339 15.561 1.00 0.00 C ATOM 1097 C LYS A 73 -0.421 2.907 16.021 1.00 0.00 C ATOM 1098 O LYS A 73 -0.984 2.433 16.987 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.893 4.927 16.319 1.00 0.00 C ATOM 1100 CG LYS A 73 -2.054 6.405 15.952 1.00 0.00 C ATOM 1101 CD LYS A 73 -2.508 7.191 17.184 1.00 0.00 C ATOM 1102 CE LYS A 73 -4.027 7.374 17.145 1.00 0.00 C ATOM 1103 NZ LYS A 73 -4.369 7.996 18.455 1.00 0.00 N ATOM 0 H LYS A 73 -2.056 3.984 13.951 1.00 0.00 H new ATOM 0 HA LYS A 73 0.208 4.916 15.732 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.802 4.379 16.070 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.742 4.823 17.393 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.110 6.803 15.581 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.783 6.514 15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.218 6.662 18.092 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.015 8.163 17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.327 8.012 16.314 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.537 6.420 17.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.396 8.154 18.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.077 7.363 19.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.874 8.906 18.547 1.00 0.00 H new ATOM 1117 N THR A 74 0.446 2.215 15.334 1.00 0.00 N ATOM 1118 CA THR A 74 0.762 0.815 15.731 1.00 0.00 C ATOM 1119 C THR A 74 1.735 0.822 16.912 1.00 0.00 C ATOM 1120 O THR A 74 2.543 1.718 17.057 1.00 0.00 O ATOM 1121 CB THR A 74 1.414 0.171 14.501 1.00 0.00 C ATOM 1122 OG1 THR A 74 2.692 0.753 14.283 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.539 0.383 13.264 1.00 0.00 C ATOM 0 H THR A 74 0.949 2.559 14.516 1.00 0.00 H new ATOM 0 HA THR A 74 -0.127 0.265 16.042 1.00 0.00 H new ATOM 0 HB THR A 74 1.522 -0.899 14.678 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.041 0.460 13.415 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.014 -0.079 12.399 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.438 -0.071 13.427 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.417 1.451 13.083 1.00 0.00 H new ATOM 1131 N GLY A 75 1.659 -0.162 17.760 1.00 0.00 N ATOM 1132 CA GLY A 75 2.577 -0.207 18.934 1.00 0.00 C ATOM 1133 C GLY A 75 3.964 -0.671 18.486 1.00 0.00 C ATOM 1134 O GLY A 75 4.205 -0.902 17.318 1.00 0.00 O ATOM 0 H GLY A 75 1.001 -0.939 17.693 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.644 0.779 19.394 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.183 -0.885 19.690 1.00 0.00 H new ATOM 1138 N LYS A 76 4.881 -0.811 19.409 1.00 0.00 N ATOM 1139 CA LYS A 76 6.256 -1.266 19.038 1.00 0.00 C ATOM 1140 C LYS A 76 6.178 -2.525 18.171 1.00 0.00 C ATOM 1141 O LYS A 76 6.760 -2.599 17.107 1.00 0.00 O ATOM 1142 CB LYS A 76 6.941 -1.570 20.370 1.00 0.00 C ATOM 1143 CG LYS A 76 8.342 -2.125 20.107 1.00 0.00 C ATOM 1144 CD LYS A 76 9.349 -1.408 21.008 1.00 0.00 C ATOM 1145 CE LYS A 76 10.297 -0.572 20.147 1.00 0.00 C ATOM 1146 NZ LYS A 76 9.512 0.643 19.787 1.00 0.00 N ATOM 0 H LYS A 76 4.738 -0.630 20.403 1.00 0.00 H new ATOM 0 HA LYS A 76 6.801 -0.518 18.461 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.004 -0.665 20.974 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.353 -2.291 20.937 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.363 -3.197 20.301 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.610 -1.985 19.060 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.826 -0.768 21.719 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.915 -2.135 21.590 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.202 -0.310 20.695 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.610 -1.119 19.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.395 0.688 18.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.577 0.599 20.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.016 1.492 20.116 1.00 0.00 H new ATOM 1160 N GLU A 77 5.448 -3.512 18.615 1.00 0.00 N ATOM 1161 CA GLU A 77 5.316 -4.763 17.811 1.00 0.00 C ATOM 1162 C GLU A 77 4.005 -4.725 17.022 1.00 0.00 C ATOM 1163 O GLU A 77 2.957 -5.084 17.520 1.00 0.00 O ATOM 1164 CB GLU A 77 5.313 -5.912 18.828 1.00 0.00 C ATOM 1165 CG GLU A 77 4.246 -5.667 19.900 1.00 0.00 C ATOM 1166 CD GLU A 77 3.426 -6.942 20.107 1.00 0.00 C ATOM 1167 OE1 GLU A 77 4.018 -8.009 20.119 1.00 0.00 O ATOM 1168 OE2 GLU A 77 2.221 -6.829 20.251 1.00 0.00 O ATOM 0 H GLU A 77 4.938 -3.507 19.498 1.00 0.00 H new ATOM 0 HA GLU A 77 6.125 -4.883 17.090 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.118 -6.857 18.320 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.295 -5.997 19.294 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.718 -5.370 20.836 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.594 -4.848 19.598 1.00 0.00 H new ATOM 1175 N VAL A 78 4.054 -4.276 15.796 1.00 0.00 N ATOM 1176 CA VAL A 78 2.807 -4.196 14.982 1.00 0.00 C ATOM 1177 C VAL A 78 2.218 -5.586 14.740 1.00 0.00 C ATOM 1178 O VAL A 78 2.348 -6.147 13.671 1.00 0.00 O ATOM 1179 CB VAL A 78 3.228 -3.558 13.655 1.00 0.00 C ATOM 1180 CG1 VAL A 78 2.034 -3.529 12.695 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.705 -2.129 13.909 1.00 0.00 C ATOM 0 H VAL A 78 4.902 -3.962 15.324 1.00 0.00 H new ATOM 0 HA VAL A 78 2.037 -3.616 15.490 1.00 0.00 H new ATOM 0 HB VAL A 78 4.035 -4.143 13.213 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.337 -3.074 11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.689 -4.547 12.513 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.226 -2.945 13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.005 -1.673 12.966 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.896 -1.548 14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.555 -2.145 14.591 1.00 0.00 H new ATOM 1191 N VAL A 79 1.541 -6.130 15.711 1.00 0.00 N ATOM 1192 CA VAL A 79 0.910 -7.461 15.513 1.00 0.00 C ATOM 1193 C VAL A 79 -0.335 -7.250 14.648 1.00 0.00 C ATOM 1194 O VAL A 79 -1.187 -6.453 14.976 1.00 0.00 O ATOM 1195 CB VAL A 79 0.553 -7.937 16.931 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.503 -9.047 16.879 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.813 -8.473 17.613 1.00 0.00 C ATOM 0 H VAL A 79 1.398 -5.711 16.630 1.00 0.00 H new ATOM 0 HA VAL A 79 1.541 -8.197 15.015 1.00 0.00 H new ATOM 0 HB VAL A 79 0.149 -7.095 17.493 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.742 -9.370 17.892 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.405 -8.669 16.397 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.115 -9.892 16.311 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.566 -8.812 18.619 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.212 -9.308 17.036 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.560 -7.682 17.670 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.441 -7.918 13.534 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.633 -7.689 12.665 1.00 0.00 C ATOM 1209 C LEU A 80 -2.311 -9.007 12.286 1.00 0.00 C ATOM 1210 O LEU A 80 -1.742 -9.841 11.607 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.102 -6.990 11.400 1.00 0.00 C ATOM 1212 CG LEU A 80 -0.094 -5.885 11.760 1.00 0.00 C ATOM 1213 CD1 LEU A 80 0.260 -5.091 10.501 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.697 -4.938 12.802 1.00 0.00 C ATOM 0 H LEU A 80 0.233 -8.602 13.190 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.381 -7.090 13.185 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.626 -7.723 10.749 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.934 -6.560 10.842 1.00 0.00 H new ATOM 0 HG LEU A 80 0.804 -6.345 12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.974 -4.307 10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.701 -5.759 9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.643 -4.640 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.026 -4.160 13.049 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.599 -4.479 12.398 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.947 -5.499 13.702 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.542 -9.182 12.691 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.275 -10.423 12.316 1.00 0.00 C ATOM 1228 C GLU A 81 -4.648 -10.316 10.838 1.00 0.00 C ATOM 1229 O GLU A 81 -5.239 -9.340 10.416 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.528 -10.439 13.195 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.253 -11.774 13.019 1.00 0.00 C ATOM 1232 CD GLU A 81 -7.188 -12.009 14.209 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -6.685 -12.259 15.292 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -8.390 -11.933 14.014 1.00 0.00 O ATOM 0 H GLU A 81 -4.068 -8.521 13.263 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.693 -11.333 12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.254 -10.296 14.240 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.188 -9.615 12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.823 -11.770 12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.529 -12.586 12.946 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.278 -11.274 10.039 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.583 -11.169 8.584 1.00 0.00 C ATOM 1243 C VAL A 82 -5.341 -12.390 8.063 1.00 0.00 C ATOM 1244 O VAL A 82 -5.107 -13.509 8.466 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.207 -11.053 7.908 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.288 -12.173 8.392 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.355 -11.164 6.395 1.00 0.00 C ATOM 0 H VAL A 82 -3.782 -12.118 10.324 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.231 -10.318 8.374 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.778 -10.085 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.316 -12.081 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.163 -12.100 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.728 -13.138 8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.374 -11.080 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.797 -12.128 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.000 -10.363 6.033 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.219 -12.163 7.127 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.978 -13.280 6.509 1.00 0.00 C ATOM 1259 C LYS A 83 -6.525 -13.403 5.055 1.00 0.00 C ATOM 1260 O LYS A 83 -7.095 -12.809 4.160 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.450 -12.869 6.589 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.331 -14.119 6.552 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.714 -13.786 7.118 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.792 -14.243 6.135 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.634 -13.035 5.906 1.00 0.00 N ATOM 0 H LYS A 83 -6.444 -11.238 6.761 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.821 -14.239 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.633 -12.309 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.700 -12.210 5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.423 -14.482 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.871 -14.918 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.853 -14.278 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.798 -12.713 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.352 -14.601 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.380 -15.063 6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.399 -13.266 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.044 -12.721 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.048 -12.273 5.509 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.474 -14.137 4.825 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.943 -14.274 3.439 1.00 0.00 C ATOM 1281 C TYR A 84 -6.043 -14.715 2.473 1.00 0.00 C ATOM 1282 O TYR A 84 -6.736 -15.685 2.709 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.863 -15.360 3.535 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.674 -15.068 2.629 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.725 -14.073 1.636 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.502 -15.815 2.795 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.613 -13.833 0.824 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.391 -15.576 1.981 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.444 -14.584 0.997 1.00 0.00 C ATOM 1290 OH TYR A 84 0.652 -14.347 0.193 1.00 0.00 O ATOM 0 H TYR A 84 -4.957 -14.650 5.539 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.554 -13.328 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.521 -15.440 4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.294 -16.324 3.267 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.626 -13.493 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.456 -16.580 3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.655 -13.068 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.509 -16.158 2.112 1.00 0.00 H new ATOM 0 HH TYR A 84 1.240 -13.694 0.626 1.00 0.00 H new ATOM 1300 N MET A 85 -6.196 -14.026 1.376 1.00 0.00 N ATOM 1301 CA MET A 85 -7.239 -14.432 0.392 1.00 0.00 C ATOM 1302 C MET A 85 -6.579 -15.185 -0.761 1.00 0.00 C ATOM 1303 O MET A 85 -6.839 -14.932 -1.920 1.00 0.00 O ATOM 1304 CB MET A 85 -7.877 -13.131 -0.096 1.00 0.00 C ATOM 1305 CG MET A 85 -8.646 -12.484 1.057 1.00 0.00 C ATOM 1306 SD MET A 85 -10.160 -13.423 1.374 1.00 0.00 S ATOM 1307 CE MET A 85 -10.183 -13.218 3.171 1.00 0.00 C ATOM 0 H MET A 85 -5.648 -13.205 1.119 1.00 0.00 H new ATOM 0 HA MET A 85 -7.989 -15.093 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.109 -12.451 -0.463 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.550 -13.332 -0.930 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.026 -12.460 1.953 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.891 -11.451 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.207 -13.048 3.505 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.792 -14.118 3.645 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.565 -12.364 3.448 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.721 -16.110 -0.438 1.00 0.00 N ATOM 1318 CA LYS A 86 -5.024 -16.896 -1.496 1.00 0.00 C ATOM 1319 C LYS A 86 -5.974 -17.933 -2.099 1.00 0.00 C ATOM 1320 O LYS A 86 -6.949 -18.266 -1.445 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.862 -17.586 -0.778 1.00 0.00 C ATOM 1322 CG LYS A 86 -4.401 -18.429 0.381 1.00 0.00 C ATOM 1323 CD LYS A 86 -3.984 -19.890 0.190 1.00 0.00 C ATOM 1324 CE LYS A 86 -3.975 -20.597 1.546 1.00 0.00 C ATOM 1325 NZ LYS A 86 -2.564 -20.502 2.016 1.00 0.00 N ATOM 1326 OXT LYS A 86 -5.711 -18.376 -3.205 1.00 0.00 O ATOM 0 H LYS A 86 -5.470 -16.358 0.519 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.680 -16.267 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.314 -18.218 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.160 -16.842 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.016 -18.051 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.487 -18.353 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.674 -20.391 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.995 -19.941 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.658 -20.117 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.292 -21.636 1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.475 -20.965 2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.938 -20.973 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.293 -19.502 2.102 1.00 0.00 H new ATOM 1341 N LYS B 3 -10.796 2.447 -1.102 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.748 3.504 -0.967 1.00 0.00 C ATOM 1343 C LYS B 3 -8.423 2.892 -0.534 1.00 0.00 C ATOM 1344 O LYS B 3 -8.369 1.779 -0.064 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.244 4.471 0.116 1.00 0.00 C ATOM 1346 CG LYS B 3 -10.844 3.715 1.303 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.917 4.665 2.497 1.00 0.00 C ATOM 1348 CE LYS B 3 -12.062 4.248 3.421 1.00 0.00 C ATOM 1349 NZ LYS B 3 -13.009 5.398 3.400 1.00 0.00 N ATOM 0 HA LYS B 3 -9.585 4.010 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.417 5.092 0.458 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.992 5.141 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -11.838 3.345 1.053 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -10.232 2.846 1.547 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -9.974 4.651 3.043 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -11.070 5.687 2.151 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -12.542 3.335 3.069 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -11.703 4.050 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -13.824 5.188 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -12.526 6.252 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -13.339 5.558 2.427 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.354 3.624 -0.673 1.00 0.00 N ATOM 1364 CA GLU B 4 -6.031 3.093 -0.248 1.00 0.00 C ATOM 1365 C GLU B 4 -5.570 3.844 1.007 1.00 0.00 C ATOM 1366 O GLU B 4 -6.368 4.430 1.711 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.091 3.366 -1.423 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.666 2.038 -2.054 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.598 2.297 -3.117 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -2.463 2.539 -2.742 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -3.933 2.250 -4.290 1.00 0.00 O ATOM 0 H GLU B 4 -7.340 4.567 -1.062 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.058 2.031 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -5.590 3.990 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -4.214 3.916 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.277 1.367 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -5.528 1.544 -2.502 1.00 0.00 H new ATOM 1378 N SER B 5 -4.297 3.842 1.297 1.00 0.00 N ATOM 1379 CA SER B 5 -3.816 4.570 2.511 1.00 0.00 C ATOM 1380 C SER B 5 -2.290 4.524 2.603 1.00 0.00 C ATOM 1381 O SER B 5 -1.643 5.526 2.827 1.00 0.00 O ATOM 1382 CB SER B 5 -4.444 3.832 3.695 1.00 0.00 C ATOM 1383 OG SER B 5 -5.267 4.727 4.427 1.00 0.00 O ATOM 0 H SER B 5 -3.573 3.373 0.753 1.00 0.00 H new ATOM 0 HA SER B 5 -4.096 5.623 2.488 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.034 2.987 3.339 1.00 0.00 H new ATOM 0 HB3 SER B 5 -3.664 3.428 4.340 1.00 0.00 H new ATOM 0 HG SER B 5 -4.876 5.625 4.403 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.714 3.366 2.441 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.230 3.253 2.529 1.00 0.00 C ATOM 1391 C LEU B 6 0.260 3.830 3.862 1.00 0.00 C ATOM 1392 O LEU B 6 0.517 5.012 3.983 1.00 0.00 O ATOM 1393 CB LEU B 6 0.310 4.061 1.337 1.00 0.00 C ATOM 1394 CG LEU B 6 1.822 4.301 1.485 1.00 0.00 C ATOM 1395 CD1 LEU B 6 2.541 2.975 1.757 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.363 4.914 0.193 1.00 0.00 C ATOM 0 H LEU B 6 -2.206 2.493 2.251 1.00 0.00 H new ATOM 0 HA LEU B 6 0.113 2.219 2.491 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.111 3.526 0.408 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.211 5.016 1.273 1.00 0.00 H new ATOM 0 HG LEU B 6 1.997 4.979 2.320 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.611 3.156 1.860 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.157 2.535 2.677 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.367 2.290 0.927 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.435 5.086 0.293 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.181 4.232 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.860 5.862 0.001 1.00 0.00 H new ATOM 1408 N VAL B 7 0.393 3.002 4.860 1.00 0.00 N ATOM 1409 CA VAL B 7 0.869 3.496 6.183 1.00 0.00 C ATOM 1410 C VAL B 7 2.276 2.962 6.467 1.00 0.00 C ATOM 1411 O VAL B 7 2.864 3.391 7.445 1.00 0.00 O ATOM 1412 CB VAL B 7 -0.129 2.941 7.199 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.252 3.420 8.600 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.537 3.433 6.856 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.738 2.132 5.700 1.00 0.00 O ATOM 0 H VAL B 7 0.192 2.003 4.817 1.00 0.00 H new ATOM 0 HA VAL B 7 0.925 4.584 6.222 1.00 0.00 H new ATOM 0 HB VAL B 7 -0.109 1.852 7.169 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.459 3.025 9.326 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.254 3.068 8.845 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.233 4.509 8.630 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -2.248 3.037 7.581 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.559 4.522 6.885 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.809 3.091 5.857 1.00 0.00 H new