USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 870 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 67 HIS : no HE2:sc= -0.546 K(o=1.8,f=0.66) USER MOD Set 1.2: A 71 CYS SG : rot 100:sc= 0.0725! USER MOD Set 1.3: A 76 CYS SG : rot 142:sc= 0.75 USER MOD Set 1.4: A 81 CYS SG : rot -157:sc= -0.674! USER MOD Set 1.5: A 85 LYS NZ :NH3+ -164:sc= 2.21 (180deg=0.787) USER MOD Set 2.1: A 74 ASN : amide:sc= 0.626 X(o=1.2,f=0.73) USER MOD Set 2.2: A 86 HIS : no HE2:sc= 0.544 K(o=1.2,f=-2.5) USER MOD Set 3.1: A 42 HIS : no HE2:sc= -0.251 K(o=5.5,f=4.6) USER MOD Set 3.2: A 43 THR OG1 : rot -46:sc= 1.17 USER MOD Set 3.3: A 46 CYS SG : rot 50:sc= 1.66 USER MOD Set 3.4: A 54 CYS SG : rot -153:sc= 1.67 USER MOD Set 3.5: A 57 CYS SG : rot 129:sc= 1.24 USER MOD Set 4.1: A 41 GLN : amide:sc= 0.634 K(o=1.6,f=-2.3) USER MOD Set 4.2: A 44 LYS NZ :NH3+ -144:sc= 0.926 (180deg=0) USER MOD Set 5.1: A 16 SER OG : rot 76:sc= 1.1 USER MOD Set 5.2: A 32 SER OG : rot 162:sc= 0.684 USER MOD Set 6.1: A 19 HIS : no HD1:sc= -1.35 X(o=6.5,f=6.6) USER MOD Set 6.2: A 23 CYS SG : rot 37:sc= 1.8 USER MOD Set 6.3: A 25 ASN : amide:sc= 1.28 K(o=6.5,f=4.2) USER MOD Set 6.4: A 28 CYS SG : rot 128:sc= 2.58 USER MOD Set 6.5: A 33 CYS SG : rot -162:sc= -0.381 USER MOD Set 6.6: A 37 LYS NZ :NH3+ 167:sc= 2.6 (180deg=1.06) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 86:sc= 1.51 USER MOD Single : A 11 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.42) USER MOD Single : A 13 CYS SG : rot -130:sc= 0.0356 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 81:sc= -0.0346 USER MOD Single : A 22 GLN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 27 ASN : amide:sc= 0.295 K(o=0.29,f=-3.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.17 K(o=1.2,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.666 (180deg=0.161) USER MOD Single : A 36 MET CE :methyl 176:sc= -0.362 (180deg=-0.385) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 1.18 (180deg=1.09) USER MOD Single : A 50 THR OG1 : rot 149:sc= 0.0765 USER MOD Single : A 51 ASN : amide:sc= 0.909 K(o=0.91,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.899 K(o=0.9,f=-1.1) USER MOD Single : A 64 CYS SG : rot 78:sc= 0.0538 USER MOD Single : A 65 CYS SG : rot 149:sc= 0.249 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0354 (180deg=-0.282) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 1.15 (180deg=0.975) USER MOD Single : A 83 ASN : amide:sc= 1 K(o=1,f=-0.0011) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0.976) USER MOD Single : B 722 ASN : amide:sc= -0.0819 X(o=-0.082,f=-0.054) USER MOD Single : B 726 MET CE :methyl 176:sc=-0.000861 (180deg=-0.0409) USER MOD Single : B 727 SER OG : rot 79:sc= 1.09 USER MOD Single : B 735 SER OG : rot 75:sc= 0.776 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 745 SER OG : rot -43:sc= 0.00606 USER MOD Single : B 746 MET CE :methyl 141:sc= -1.73 (180deg=-3.85!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 51.607 -13.130 27.526 1.00 0.00 N ATOM 44 CA GLU A 4 50.952 -14.436 27.469 1.00 0.00 C ATOM 45 C GLU A 4 49.424 -14.398 27.423 1.00 0.00 C ATOM 46 O GLU A 4 48.841 -15.249 26.758 1.00 0.00 O ATOM 47 CB GLU A 4 51.431 -15.277 28.662 1.00 0.00 C ATOM 48 CG GLU A 4 52.842 -15.866 28.503 1.00 0.00 C ATOM 49 CD GLU A 4 53.916 -14.833 28.113 1.00 0.00 C ATOM 50 OE1 GLU A 4 54.056 -13.808 28.823 1.00 0.00 O ATOM 51 OE2 GLU A 4 54.577 -15.026 27.065 1.00 0.00 O ATOM 0 HA GLU A 4 51.242 -14.884 26.519 1.00 0.00 H new ATOM 0 HB2 GLU A 4 51.409 -14.658 29.559 1.00 0.00 H new ATOM 0 HB3 GLU A 4 50.726 -16.093 28.821 1.00 0.00 H new ATOM 0 HG2 GLU A 4 53.133 -16.341 29.440 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.814 -16.648 27.745 1.00 0.00 H new ATOM 58 N SER A 5 48.754 -13.435 28.063 1.00 0.00 N ATOM 59 CA SER A 5 47.282 -13.342 28.037 1.00 0.00 C ATOM 60 C SER A 5 46.717 -13.340 26.611 1.00 0.00 C ATOM 61 O SER A 5 45.772 -14.075 26.310 1.00 0.00 O ATOM 62 CB SER A 5 46.828 -12.090 28.799 1.00 0.00 C ATOM 63 OG SER A 5 47.423 -10.922 28.252 1.00 0.00 O ATOM 0 H SER A 5 49.206 -12.702 28.610 1.00 0.00 H new ATOM 0 HA SER A 5 46.888 -14.232 28.527 1.00 0.00 H new ATOM 0 HB2 SER A 5 45.742 -12.005 28.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 47.097 -12.182 29.851 1.00 0.00 H new ATOM 0 HG SER A 5 47.119 -10.135 28.751 1.00 0.00 H new ATOM 69 N ARG A 6 47.330 -12.561 25.710 1.00 0.00 N ATOM 70 CA ARG A 6 46.974 -12.489 24.285 1.00 0.00 C ATOM 71 C ARG A 6 47.377 -13.769 23.550 1.00 0.00 C ATOM 72 O ARG A 6 46.554 -14.349 22.845 1.00 0.00 O ATOM 73 CB ARG A 6 47.643 -11.258 23.650 1.00 0.00 C ATOM 74 CG ARG A 6 47.236 -9.960 24.369 1.00 0.00 C ATOM 75 CD ARG A 6 47.819 -8.707 23.710 1.00 0.00 C ATOM 76 NE ARG A 6 49.295 -8.720 23.635 1.00 0.00 N ATOM 77 CZ ARG A 6 50.160 -8.466 24.598 1.00 0.00 C ATOM 78 NH1 ARG A 6 49.802 -8.196 25.823 1.00 0.00 N ATOM 79 NH2 ARG A 6 51.426 -8.487 24.321 1.00 0.00 N ATOM 0 H ARG A 6 48.107 -11.948 25.957 1.00 0.00 H new ATOM 0 HA ARG A 6 45.892 -12.391 24.198 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.726 -11.372 23.688 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.366 -11.194 22.598 1.00 0.00 H new ATOM 0 HG2 ARG A 6 46.149 -9.884 24.384 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.567 -10.006 25.407 1.00 0.00 H new ATOM 0 HD2 ARG A 6 47.412 -8.611 22.704 1.00 0.00 H new ATOM 0 HD3 ARG A 6 47.498 -7.828 24.269 1.00 0.00 H new ATOM 0 HE ARG A 6 49.694 -8.954 22.726 1.00 0.00 H new ATOM 0 HH11 ARG A 6 48.813 -8.174 26.072 1.00 0.00 H new ATOM 0 HH12 ARG A 6 50.511 -8.007 26.531 1.00 0.00 H new ATOM 0 HH21 ARG A 6 51.737 -8.697 23.373 1.00 0.00 H new ATOM 0 HH22 ARG A 6 52.111 -8.293 25.051 1.00 0.00 H new ATOM 93 N ARG A 7 48.615 -14.241 23.751 1.00 0.00 N ATOM 94 CA ARG A 7 49.184 -15.463 23.136 1.00 0.00 C ATOM 95 C ARG A 7 48.311 -16.695 23.375 1.00 0.00 C ATOM 96 O ARG A 7 47.978 -17.427 22.446 1.00 0.00 O ATOM 97 CB ARG A 7 50.607 -15.703 23.663 1.00 0.00 C ATOM 98 CG ARG A 7 51.537 -14.537 23.309 1.00 0.00 C ATOM 99 CD ARG A 7 52.911 -14.697 23.951 1.00 0.00 C ATOM 100 NE ARG A 7 53.763 -13.577 23.520 1.00 0.00 N ATOM 101 CZ ARG A 7 54.998 -13.277 23.852 1.00 0.00 C ATOM 102 NH1 ARG A 7 55.669 -13.882 24.789 1.00 0.00 N ATOM 103 NH2 ARG A 7 55.561 -12.299 23.208 1.00 0.00 N ATOM 0 H ARG A 7 49.277 -13.770 24.368 1.00 0.00 H new ATOM 0 HA ARG A 7 49.218 -15.301 22.059 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.579 -15.833 24.745 1.00 0.00 H new ATOM 0 HB3 ARG A 7 51.002 -16.627 23.241 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.646 -14.474 22.226 1.00 0.00 H new ATOM 0 HG3 ARG A 7 51.088 -13.600 23.639 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.822 -14.709 25.037 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.358 -15.647 23.658 1.00 0.00 H new ATOM 0 HE ARG A 7 53.326 -12.933 22.860 1.00 0.00 H new ATOM 0 HH11 ARG A 7 55.237 -14.641 25.317 1.00 0.00 H new ATOM 0 HH12 ARG A 7 56.627 -13.598 24.995 1.00 0.00 H new ATOM 0 HH21 ARG A 7 55.045 -11.803 22.482 1.00 0.00 H new ATOM 0 HH22 ARG A 7 56.519 -12.028 23.429 1.00 0.00 H new ATOM 117 N LEU A 8 47.917 -16.891 24.629 1.00 0.00 N ATOM 118 CA LEU A 8 47.060 -17.984 25.089 1.00 0.00 C ATOM 119 C LEU A 8 45.613 -17.828 24.593 1.00 0.00 C ATOM 120 O LEU A 8 44.950 -18.829 24.326 1.00 0.00 O ATOM 121 CB LEU A 8 47.154 -18.039 26.627 1.00 0.00 C ATOM 122 CG LEU A 8 48.569 -18.379 27.153 1.00 0.00 C ATOM 123 CD1 LEU A 8 48.607 -18.242 28.674 1.00 0.00 C ATOM 124 CD2 LEU A 8 49.033 -19.784 26.772 1.00 0.00 C ATOM 0 H LEU A 8 48.197 -16.268 25.386 1.00 0.00 H new ATOM 0 HA LEU A 8 47.403 -18.930 24.669 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.846 -17.076 27.035 1.00 0.00 H new ATOM 0 HB3 LEU A 8 46.450 -18.783 26.999 1.00 0.00 H new ATOM 0 HG LEU A 8 49.249 -17.670 26.681 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.606 -18.483 29.036 1.00 0.00 H new ATOM 0 HD12 LEU A 8 48.357 -17.219 28.953 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.885 -18.926 29.119 1.00 0.00 H new ATOM 0 HD21 LEU A 8 50.032 -19.958 27.172 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.343 -20.520 27.186 1.00 0.00 H new ATOM 0 HD23 LEU A 8 49.055 -19.878 25.686 1.00 0.00 H new ATOM 136 N SER A 9 45.126 -16.596 24.408 1.00 0.00 N ATOM 137 CA SER A 9 43.785 -16.349 23.854 1.00 0.00 C ATOM 138 C SER A 9 43.723 -16.623 22.346 1.00 0.00 C ATOM 139 O SER A 9 42.736 -17.189 21.873 1.00 0.00 O ATOM 140 CB SER A 9 43.283 -14.946 24.197 1.00 0.00 C ATOM 141 OG SER A 9 43.167 -14.838 25.609 1.00 0.00 O ATOM 0 H SER A 9 45.643 -15.747 24.635 1.00 0.00 H new ATOM 0 HA SER A 9 43.110 -17.060 24.330 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.973 -14.194 23.816 1.00 0.00 H new ATOM 0 HB3 SER A 9 42.319 -14.763 23.723 1.00 0.00 H new ATOM 0 HG SER A 9 44.030 -14.572 25.989 1.00 0.00 H new ATOM 147 N ILE A 10 44.792 -16.323 21.596 1.00 0.00 N ATOM 148 CA ILE A 10 44.906 -16.641 20.159 1.00 0.00 C ATOM 149 C ILE A 10 44.761 -18.160 19.936 1.00 0.00 C ATOM 150 O ILE A 10 44.097 -18.586 18.988 1.00 0.00 O ATOM 151 CB ILE A 10 46.238 -16.084 19.601 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.234 -14.538 19.589 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.523 -16.583 18.173 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.641 -13.937 19.694 1.00 0.00 C ATOM 0 H ILE A 10 45.613 -15.847 21.970 1.00 0.00 H new ATOM 0 HA ILE A 10 44.097 -16.160 19.609 1.00 0.00 H new ATOM 0 HB ILE A 10 47.021 -16.449 20.265 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.762 -14.188 18.671 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.626 -14.175 20.418 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.468 -16.166 17.824 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.585 -17.671 18.173 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.719 -16.265 17.509 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.574 -12.849 19.681 1.00 0.00 H new ATOM 0 HD12 ILE A 10 48.106 -14.260 20.625 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.244 -14.274 18.851 1.00 0.00 H new ATOM 166 N GLN A 11 45.315 -18.993 20.830 1.00 0.00 N ATOM 167 CA GLN A 11 45.180 -20.456 20.758 1.00 0.00 C ATOM 168 C GLN A 11 43.713 -20.931 20.810 1.00 0.00 C ATOM 169 O GLN A 11 43.369 -21.893 20.120 1.00 0.00 O ATOM 170 CB GLN A 11 46.007 -21.149 21.855 1.00 0.00 C ATOM 171 CG GLN A 11 47.524 -20.956 21.718 1.00 0.00 C ATOM 172 CD GLN A 11 48.133 -21.617 20.482 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.546 -22.447 19.798 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.356 -21.274 20.150 1.00 0.00 N ATOM 0 H GLN A 11 45.869 -18.671 21.623 1.00 0.00 H new ATOM 0 HA GLN A 11 45.574 -20.745 19.784 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.690 -20.770 22.827 1.00 0.00 H new ATOM 0 HB3 GLN A 11 45.785 -22.216 21.842 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.741 -19.888 21.689 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.011 -21.356 22.607 1.00 0.00 H new ATOM 0 HE21 GLN A 11 49.861 -20.585 20.707 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.801 -21.697 19.335 1.00 0.00 H new ATOM 183 N ARG A 12 42.824 -20.247 21.554 1.00 0.00 N ATOM 184 CA ARG A 12 41.382 -20.579 21.600 1.00 0.00 C ATOM 185 C ARG A 12 40.756 -20.446 20.208 1.00 0.00 C ATOM 186 O ARG A 12 40.009 -21.319 19.763 1.00 0.00 O ATOM 187 CB ARG A 12 40.622 -19.675 22.592 1.00 0.00 C ATOM 188 CG ARG A 12 41.249 -19.560 23.991 1.00 0.00 C ATOM 189 CD ARG A 12 40.385 -18.654 24.889 1.00 0.00 C ATOM 190 NE ARG A 12 41.192 -17.768 25.754 1.00 0.00 N ATOM 191 CZ ARG A 12 41.924 -18.086 26.804 1.00 0.00 C ATOM 192 NH1 ARG A 12 41.939 -19.285 27.312 1.00 0.00 N ATOM 193 NH2 ARG A 12 42.673 -17.176 27.357 1.00 0.00 N ATOM 0 H ARG A 12 43.080 -19.452 22.139 1.00 0.00 H new ATOM 0 HA ARG A 12 41.298 -21.611 21.941 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.547 -18.676 22.163 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.606 -20.054 22.698 1.00 0.00 H new ATOM 0 HG2 ARG A 12 41.339 -20.549 24.440 1.00 0.00 H new ATOM 0 HG3 ARG A 12 42.257 -19.152 23.913 1.00 0.00 H new ATOM 0 HD2 ARG A 12 39.732 -18.046 24.263 1.00 0.00 H new ATOM 0 HD3 ARG A 12 39.742 -19.275 25.512 1.00 0.00 H new ATOM 0 HE ARG A 12 41.181 -16.779 25.506 1.00 0.00 H new ATOM 0 HH11 ARG A 12 41.369 -20.022 26.897 1.00 0.00 H new ATOM 0 HH12 ARG A 12 42.520 -19.487 28.125 1.00 0.00 H new ATOM 0 HH21 ARG A 12 42.689 -16.229 26.978 1.00 0.00 H new ATOM 0 HH22 ARG A 12 43.244 -17.410 28.170 1.00 0.00 H new ATOM 207 N CYS A 13 41.106 -19.371 19.498 1.00 0.00 N ATOM 208 CA CYS A 13 40.653 -19.122 18.132 1.00 0.00 C ATOM 209 C CYS A 13 41.258 -20.139 17.151 1.00 0.00 C ATOM 210 O CYS A 13 40.546 -20.625 16.277 1.00 0.00 O ATOM 211 CB CYS A 13 40.978 -17.678 17.729 1.00 0.00 C ATOM 212 SG CYS A 13 40.126 -16.523 18.842 1.00 0.00 S ATOM 0 H CYS A 13 41.719 -18.642 19.862 1.00 0.00 H new ATOM 0 HA CYS A 13 39.571 -19.251 18.091 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.054 -17.512 17.772 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.669 -17.500 16.699 1.00 0.00 H new ATOM 0 HG CYS A 13 39.484 -15.637 18.140 1.00 0.00 H new ATOM 218 N ILE A 14 42.534 -20.517 17.306 1.00 0.00 N ATOM 219 CA ILE A 14 43.168 -21.551 16.467 1.00 0.00 C ATOM 220 C ILE A 14 42.405 -22.875 16.602 1.00 0.00 C ATOM 221 O ILE A 14 42.023 -23.457 15.589 1.00 0.00 O ATOM 222 CB ILE A 14 44.670 -21.676 16.807 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.388 -20.411 16.294 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.311 -22.931 16.188 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.774 -20.177 16.885 1.00 0.00 C ATOM 0 H ILE A 14 43.155 -20.120 18.011 1.00 0.00 H new ATOM 0 HA ILE A 14 43.114 -21.260 15.418 1.00 0.00 H new ATOM 0 HB ILE A 14 44.772 -21.773 17.888 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.477 -20.476 15.210 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.765 -19.544 16.511 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.366 -22.971 16.457 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.806 -23.821 16.565 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.215 -22.891 15.103 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.199 -19.266 16.465 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.696 -20.076 17.967 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.419 -21.022 16.646 1.00 0.00 H new ATOM 237 N GLN A 15 42.107 -23.325 17.828 1.00 0.00 N ATOM 238 CA GLN A 15 41.303 -24.536 18.054 1.00 0.00 C ATOM 239 C GLN A 15 39.900 -24.420 17.432 1.00 0.00 C ATOM 240 O GLN A 15 39.416 -25.377 16.827 1.00 0.00 O ATOM 241 CB GLN A 15 41.189 -24.847 19.550 1.00 0.00 C ATOM 242 CG GLN A 15 42.533 -25.313 20.134 1.00 0.00 C ATOM 243 CD GLN A 15 42.357 -25.912 21.524 1.00 0.00 C ATOM 244 OE1 GLN A 15 42.570 -25.278 22.549 1.00 0.00 O ATOM 245 NE2 GLN A 15 41.946 -27.160 21.604 1.00 0.00 N ATOM 0 H GLN A 15 42.413 -22.865 18.685 1.00 0.00 H new ATOM 0 HA GLN A 15 41.822 -25.357 17.560 1.00 0.00 H new ATOM 0 HB2 GLN A 15 40.849 -23.959 20.082 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.436 -25.620 19.705 1.00 0.00 H new ATOM 0 HG2 GLN A 15 42.982 -26.053 19.472 1.00 0.00 H new ATOM 0 HG3 GLN A 15 43.222 -24.470 20.184 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.767 -27.693 20.753 1.00 0.00 H new ATOM 0 HE22 GLN A 15 41.807 -27.594 22.517 1.00 0.00 H new ATOM 254 N SER A 16 39.261 -23.250 17.536 1.00 0.00 N ATOM 255 CA SER A 16 37.940 -22.992 16.945 1.00 0.00 C ATOM 256 C SER A 16 37.960 -23.083 15.412 1.00 0.00 C ATOM 257 O SER A 16 37.078 -23.706 14.821 1.00 0.00 O ATOM 258 CB SER A 16 37.417 -21.615 17.361 1.00 0.00 C ATOM 259 OG SER A 16 37.208 -21.547 18.762 1.00 0.00 O ATOM 0 H SER A 16 39.647 -22.449 18.036 1.00 0.00 H new ATOM 0 HA SER A 16 37.275 -23.768 17.324 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.129 -20.847 17.059 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.482 -21.406 16.841 1.00 0.00 H new ATOM 0 HG SER A 16 38.071 -21.454 19.217 1.00 0.00 H new ATOM 265 N LEU A 17 38.973 -22.505 14.751 1.00 0.00 N ATOM 266 CA LEU A 17 39.119 -22.578 13.292 1.00 0.00 C ATOM 267 C LEU A 17 39.467 -24.010 12.852 1.00 0.00 C ATOM 268 O LEU A 17 38.896 -24.505 11.883 1.00 0.00 O ATOM 269 CB LEU A 17 40.151 -21.536 12.818 1.00 0.00 C ATOM 270 CG LEU A 17 40.312 -21.437 11.286 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.005 -21.180 10.525 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.272 -20.296 10.949 1.00 0.00 C ATOM 0 H LEU A 17 39.712 -21.975 15.212 1.00 0.00 H new ATOM 0 HA LEU A 17 38.170 -22.333 12.815 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.862 -20.558 13.203 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.119 -21.778 13.256 1.00 0.00 H new ATOM 0 HG LEU A 17 40.688 -22.410 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.211 -21.125 9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.305 -21.993 10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.568 -20.239 10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.387 -20.225 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.872 -19.358 11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.243 -20.491 11.405 1.00 0.00 H new ATOM 284 N VAL A 18 40.341 -24.707 13.589 1.00 0.00 N ATOM 285 CA VAL A 18 40.686 -26.121 13.346 1.00 0.00 C ATOM 286 C VAL A 18 39.433 -27.002 13.439 1.00 0.00 C ATOM 287 O VAL A 18 39.219 -27.848 12.568 1.00 0.00 O ATOM 288 CB VAL A 18 41.789 -26.586 14.321 1.00 0.00 C ATOM 289 CG1 VAL A 18 41.922 -28.111 14.383 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.154 -26.021 13.913 1.00 0.00 C ATOM 0 H VAL A 18 40.837 -24.303 14.383 1.00 0.00 H new ATOM 0 HA VAL A 18 41.082 -26.219 12.335 1.00 0.00 H new ATOM 0 HB VAL A 18 41.489 -26.214 15.301 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.712 -28.379 15.084 1.00 0.00 H new ATOM 0 HG12 VAL A 18 40.979 -28.545 14.716 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.169 -28.495 13.393 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.914 -26.363 14.615 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.405 -26.366 12.910 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.115 -24.932 13.923 1.00 0.00 H new ATOM 300 N HIS A 19 38.580 -26.794 14.450 1.00 0.00 N ATOM 301 CA HIS A 19 37.296 -27.492 14.584 1.00 0.00 C ATOM 302 C HIS A 19 36.422 -27.202 13.353 1.00 0.00 C ATOM 303 O HIS A 19 35.989 -28.135 12.680 1.00 0.00 O ATOM 304 CB HIS A 19 36.592 -27.078 15.894 1.00 0.00 C ATOM 305 CG HIS A 19 35.182 -27.622 16.046 1.00 0.00 C ATOM 306 ND1 HIS A 19 34.765 -28.633 16.886 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.065 -27.191 15.374 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.439 -28.805 16.709 1.00 0.00 C ATOM 309 NE2 HIS A 19 32.960 -27.952 15.783 1.00 0.00 N ATOM 0 H HIS A 19 38.763 -26.131 15.203 1.00 0.00 H new ATOM 0 HA HIS A 19 37.469 -28.567 14.634 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.192 -27.417 16.738 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.556 -25.990 15.945 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.041 -26.393 14.646 1.00 0.00 H new ATOM 0 HE1 HIS A 19 32.840 -29.531 17.240 1.00 0.00 H new ATOM 0 HE2 HIS A 19 31.999 -27.876 15.450 1.00 0.00 H new ATOM 317 N ALA A 20 36.203 -25.925 13.017 1.00 0.00 N ATOM 318 CA ALA A 20 35.397 -25.509 11.866 1.00 0.00 C ATOM 319 C ALA A 20 35.873 -26.099 10.524 1.00 0.00 C ATOM 320 O ALA A 20 35.049 -26.403 9.661 1.00 0.00 O ATOM 321 CB ALA A 20 35.371 -23.981 11.825 1.00 0.00 C ATOM 0 H ALA A 20 36.587 -25.142 13.545 1.00 0.00 H new ATOM 0 HA ALA A 20 34.391 -25.907 12.000 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.775 -23.650 10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.931 -23.600 12.746 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.388 -23.602 11.725 1.00 0.00 H new ATOM 327 N CYS A 21 37.187 -26.295 10.352 1.00 0.00 N ATOM 328 CA CYS A 21 37.785 -26.900 9.156 1.00 0.00 C ATOM 329 C CYS A 21 37.488 -28.412 9.014 1.00 0.00 C ATOM 330 O CYS A 21 37.702 -28.981 7.942 1.00 0.00 O ATOM 331 CB CYS A 21 39.292 -26.619 9.161 1.00 0.00 C ATOM 332 SG CYS A 21 39.564 -24.852 8.832 1.00 0.00 S ATOM 0 H CYS A 21 37.877 -26.032 11.055 1.00 0.00 H new ATOM 0 HA CYS A 21 37.323 -26.441 8.282 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.723 -26.894 10.124 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.791 -27.224 8.404 1.00 0.00 H new ATOM 0 HG CYS A 21 39.383 -24.174 9.926 1.00 0.00 H new ATOM 338 N GLN A 22 36.979 -29.060 10.070 1.00 0.00 N ATOM 339 CA GLN A 22 36.589 -30.479 10.106 1.00 0.00 C ATOM 340 C GLN A 22 35.062 -30.648 10.234 1.00 0.00 C ATOM 341 O GLN A 22 34.497 -31.628 9.737 1.00 0.00 O ATOM 342 CB GLN A 22 37.280 -31.163 11.296 1.00 0.00 C ATOM 343 CG GLN A 22 38.809 -31.186 11.171 1.00 0.00 C ATOM 344 CD GLN A 22 39.460 -31.565 12.495 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.719 -32.723 12.795 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.743 -30.593 13.335 1.00 0.00 N ATOM 0 H GLN A 22 36.820 -28.591 10.962 1.00 0.00 H new ATOM 0 HA GLN A 22 36.900 -30.940 9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 22 37.004 -30.646 12.215 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.913 -32.186 11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.104 -31.898 10.400 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.166 -30.206 10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.528 -29.627 13.088 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.177 -30.805 14.233 1.00 0.00 H new ATOM 355 N CYS A 23 34.404 -29.692 10.897 1.00 0.00 N ATOM 356 CA CYS A 23 32.967 -29.624 11.127 1.00 0.00 C ATOM 357 C CYS A 23 32.161 -29.436 9.821 1.00 0.00 C ATOM 358 O CYS A 23 32.697 -29.100 8.757 1.00 0.00 O ATOM 359 CB CYS A 23 32.736 -28.509 12.159 1.00 0.00 C ATOM 360 SG CYS A 23 31.055 -28.555 12.845 1.00 0.00 S ATOM 0 H CYS A 23 34.895 -28.899 11.310 1.00 0.00 H new ATOM 0 HA CYS A 23 32.595 -30.571 11.518 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.460 -28.608 12.968 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.910 -27.540 11.691 1.00 0.00 H new ATOM 0 HG CYS A 23 30.677 -29.791 12.985 1.00 0.00 H new ATOM 365 N ARG A 24 30.846 -29.653 9.921 1.00 0.00 N ATOM 366 CA ARG A 24 29.860 -29.589 8.822 1.00 0.00 C ATOM 367 C ARG A 24 28.571 -28.839 9.176 1.00 0.00 C ATOM 368 O ARG A 24 27.805 -28.487 8.280 1.00 0.00 O ATOM 369 CB ARG A 24 29.519 -31.021 8.382 1.00 0.00 C ATOM 370 CG ARG A 24 30.734 -31.740 7.770 1.00 0.00 C ATOM 371 CD ARG A 24 30.350 -33.087 7.151 1.00 0.00 C ATOM 372 NE ARG A 24 29.859 -34.060 8.152 1.00 0.00 N ATOM 373 CZ ARG A 24 30.582 -34.790 8.985 1.00 0.00 C ATOM 374 NH1 ARG A 24 31.883 -34.712 9.038 1.00 0.00 N ATOM 375 NH2 ARG A 24 30.000 -35.623 9.799 1.00 0.00 N ATOM 0 H ARG A 24 30.412 -29.891 10.813 1.00 0.00 H new ATOM 0 HA ARG A 24 30.323 -29.020 8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.157 -31.587 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.709 -30.993 7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 24 31.185 -31.105 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 24 31.489 -31.897 8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 24 29.579 -32.928 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.216 -33.506 6.638 1.00 0.00 H new ATOM 0 HE ARG A 24 28.848 -34.182 8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 24 32.381 -34.070 8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 24 32.402 -35.293 9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 24 28.984 -35.714 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 24 30.560 -36.185 10.440 1.00 0.00 H new ATOM 389 N ASN A 25 28.328 -28.582 10.462 1.00 0.00 N ATOM 390 CA ASN A 25 27.145 -27.870 10.948 1.00 0.00 C ATOM 391 C ASN A 25 27.153 -26.398 10.495 1.00 0.00 C ATOM 392 O ASN A 25 28.034 -25.635 10.899 1.00 0.00 O ATOM 393 CB ASN A 25 27.125 -27.924 12.485 1.00 0.00 C ATOM 394 CG ASN A 25 27.098 -29.314 13.093 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.400 -30.214 12.641 1.00 0.00 O ATOM 396 ND2 ASN A 25 27.856 -29.523 14.142 1.00 0.00 N ATOM 0 H ASN A 25 28.960 -28.868 11.209 1.00 0.00 H new ATOM 0 HA ASN A 25 26.258 -28.351 10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 25 28.004 -27.400 12.860 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.252 -27.376 12.838 1.00 0.00 H new ATOM 0 HD21 ASN A 25 27.868 -30.440 14.588 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.434 -28.768 14.512 1.00 0.00 H new ATOM 403 N ALA A 26 26.168 -25.966 9.701 1.00 0.00 N ATOM 404 CA ALA A 26 26.042 -24.565 9.268 1.00 0.00 C ATOM 405 C ALA A 26 25.865 -23.586 10.451 1.00 0.00 C ATOM 406 O ALA A 26 26.211 -22.404 10.358 1.00 0.00 O ATOM 407 CB ALA A 26 24.868 -24.470 8.284 1.00 0.00 C ATOM 0 H ALA A 26 25.434 -26.575 9.339 1.00 0.00 H new ATOM 0 HA ALA A 26 26.969 -24.265 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.756 -23.439 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 26 25.061 -25.111 7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.952 -24.792 8.779 1.00 0.00 H new ATOM 413 N ASN A 27 25.330 -24.089 11.569 1.00 0.00 N ATOM 414 CA ASN A 27 25.049 -23.353 12.801 1.00 0.00 C ATOM 415 C ASN A 27 25.375 -24.226 14.039 1.00 0.00 C ATOM 416 O ASN A 27 24.500 -24.511 14.862 1.00 0.00 O ATOM 417 CB ASN A 27 23.593 -22.843 12.749 1.00 0.00 C ATOM 418 CG ASN A 27 23.341 -21.939 11.551 1.00 0.00 C ATOM 419 OD1 ASN A 27 23.723 -20.777 11.520 1.00 0.00 O ATOM 420 ND2 ASN A 27 22.738 -22.450 10.500 1.00 0.00 N ATOM 0 H ASN A 27 25.069 -25.072 11.640 1.00 0.00 H new ATOM 0 HA ASN A 27 25.692 -22.478 12.893 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.913 -23.694 12.709 1.00 0.00 H new ATOM 0 HB3 ASN A 27 23.368 -22.299 13.666 1.00 0.00 H new ATOM 0 HD21 ASN A 27 22.592 -21.879 9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 27 22.416 -23.418 10.517 1.00 0.00 H new ATOM 427 N CYS A 28 26.630 -24.696 14.125 1.00 0.00 N ATOM 428 CA CYS A 28 27.177 -25.558 15.185 1.00 0.00 C ATOM 429 C CYS A 28 26.899 -25.049 16.619 1.00 0.00 C ATOM 430 O CYS A 28 26.656 -23.858 16.841 1.00 0.00 O ATOM 431 CB CYS A 28 28.688 -25.694 14.923 1.00 0.00 C ATOM 432 SG CYS A 28 29.401 -27.196 15.670 1.00 0.00 S ATOM 0 H CYS A 28 27.329 -24.472 13.417 1.00 0.00 H new ATOM 0 HA CYS A 28 26.674 -26.524 15.142 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.866 -25.709 13.848 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.201 -24.818 15.319 1.00 0.00 H new ATOM 0 HG CYS A 28 30.066 -27.856 14.768 1.00 0.00 H new ATOM 437 N SER A 29 26.962 -25.936 17.616 1.00 0.00 N ATOM 438 CA SER A 29 26.739 -25.584 19.028 1.00 0.00 C ATOM 439 C SER A 29 27.805 -24.641 19.612 1.00 0.00 C ATOM 440 O SER A 29 27.521 -23.933 20.584 1.00 0.00 O ATOM 441 CB SER A 29 26.608 -26.844 19.892 1.00 0.00 C ATOM 442 OG SER A 29 27.794 -27.624 19.856 1.00 0.00 O ATOM 0 H SER A 29 27.170 -26.924 17.470 1.00 0.00 H new ATOM 0 HA SER A 29 25.800 -25.030 19.048 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.389 -26.560 20.921 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.767 -27.442 19.541 1.00 0.00 H new ATOM 0 HG SER A 29 27.680 -28.419 20.418 1.00 0.00 H new ATOM 448 N LEU A 30 29.002 -24.575 19.016 1.00 0.00 N ATOM 449 CA LEU A 30 30.059 -23.642 19.422 1.00 0.00 C ATOM 450 C LEU A 30 29.801 -22.253 18.801 1.00 0.00 C ATOM 451 O LEU A 30 29.601 -22.159 17.586 1.00 0.00 O ATOM 452 CB LEU A 30 31.439 -24.170 18.986 1.00 0.00 C ATOM 453 CG LEU A 30 32.044 -25.238 19.913 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.362 -25.735 19.317 1.00 0.00 C ATOM 455 CD2 LEU A 30 32.346 -24.688 21.314 1.00 0.00 C ATOM 0 H LEU A 30 29.266 -25.172 18.232 1.00 0.00 H new ATOM 0 HA LEU A 30 30.050 -23.553 20.508 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.352 -24.587 17.983 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.131 -23.330 18.923 1.00 0.00 H new ATOM 0 HG LEU A 30 31.311 -26.040 20.001 1.00 0.00 H new ATOM 0 HD11 LEU A 30 33.794 -26.492 19.971 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.177 -26.168 18.334 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.056 -24.900 19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 30 32.772 -25.479 21.931 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.057 -23.866 21.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.424 -24.328 21.770 1.00 0.00 H new ATOM 467 N PRO A 31 29.827 -21.161 19.591 1.00 0.00 N ATOM 468 CA PRO A 31 29.583 -19.807 19.084 1.00 0.00 C ATOM 469 C PRO A 31 30.643 -19.347 18.070 1.00 0.00 C ATOM 470 O PRO A 31 30.330 -18.594 17.146 1.00 0.00 O ATOM 471 CB PRO A 31 29.542 -18.910 20.328 1.00 0.00 C ATOM 472 CG PRO A 31 30.366 -19.676 21.363 1.00 0.00 C ATOM 473 CD PRO A 31 30.079 -21.133 21.024 1.00 0.00 C ATOM 0 HA PRO A 31 28.649 -19.762 18.524 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.969 -17.927 20.126 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.520 -18.749 20.671 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.428 -19.445 21.283 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.062 -19.432 22.381 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.924 -21.770 21.286 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.218 -21.502 21.580 1.00 0.00 H new ATOM 481 N SER A 32 31.889 -19.811 18.212 1.00 0.00 N ATOM 482 CA SER A 32 32.990 -19.492 17.300 1.00 0.00 C ATOM 483 C SER A 32 32.912 -20.279 15.987 1.00 0.00 C ATOM 484 O SER A 32 33.048 -19.672 14.931 1.00 0.00 O ATOM 485 CB SER A 32 34.330 -19.739 17.995 1.00 0.00 C ATOM 486 OG SER A 32 34.360 -21.043 18.556 1.00 0.00 O ATOM 0 H SER A 32 32.164 -20.428 18.976 1.00 0.00 H new ATOM 0 HA SER A 32 32.903 -18.437 17.040 1.00 0.00 H new ATOM 0 HB2 SER A 32 35.145 -19.624 17.280 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.485 -18.995 18.777 1.00 0.00 H new ATOM 0 HG SER A 32 35.289 -21.302 18.732 1.00 0.00 H new ATOM 492 N CYS A 33 32.657 -21.591 16.015 1.00 0.00 N ATOM 493 CA CYS A 33 32.519 -22.462 14.835 1.00 0.00 C ATOM 494 C CYS A 33 31.560 -21.869 13.773 1.00 0.00 C ATOM 495 O CYS A 33 31.901 -21.772 12.587 1.00 0.00 O ATOM 496 CB CYS A 33 32.069 -23.842 15.343 1.00 0.00 C ATOM 497 SG CYS A 33 31.904 -25.057 14.001 1.00 0.00 S ATOM 0 H CYS A 33 32.536 -22.098 16.892 1.00 0.00 H new ATOM 0 HA CYS A 33 33.473 -22.551 14.315 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.789 -24.209 16.075 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.114 -23.742 15.858 1.00 0.00 H new ATOM 0 HG CYS A 33 31.176 -26.055 14.406 1.00 0.00 H new ATOM 502 N GLN A 34 30.395 -21.377 14.220 1.00 0.00 N ATOM 503 CA GLN A 34 29.392 -20.692 13.390 1.00 0.00 C ATOM 504 C GLN A 34 29.998 -19.546 12.557 1.00 0.00 C ATOM 505 O GLN A 34 29.659 -19.365 11.385 1.00 0.00 O ATOM 506 CB GLN A 34 28.308 -20.077 14.299 1.00 0.00 C ATOM 507 CG GLN A 34 27.470 -21.078 15.107 1.00 0.00 C ATOM 508 CD GLN A 34 26.586 -20.400 16.161 1.00 0.00 C ATOM 509 OE1 GLN A 34 26.289 -19.212 16.120 1.00 0.00 O ATOM 510 NE2 GLN A 34 26.117 -21.129 17.149 1.00 0.00 N ATOM 0 H GLN A 34 30.116 -21.447 15.199 1.00 0.00 H new ATOM 0 HA GLN A 34 28.980 -21.440 12.712 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.790 -19.390 14.995 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.635 -19.484 13.680 1.00 0.00 H new ATOM 0 HG2 GLN A 34 26.841 -21.651 14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 34 28.135 -21.787 15.599 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.349 -22.121 17.206 1.00 0.00 H new ATOM 0 HE22 GLN A 34 25.521 -20.703 17.859 1.00 0.00 H new ATOM 519 N LYS A 35 30.898 -18.774 13.172 1.00 0.00 N ATOM 520 CA LYS A 35 31.583 -17.610 12.600 1.00 0.00 C ATOM 521 C LYS A 35 32.801 -18.021 11.777 1.00 0.00 C ATOM 522 O LYS A 35 32.988 -17.516 10.677 1.00 0.00 O ATOM 523 CB LYS A 35 31.935 -16.706 13.795 1.00 0.00 C ATOM 524 CG LYS A 35 32.593 -15.364 13.465 1.00 0.00 C ATOM 525 CD LYS A 35 32.818 -14.611 14.787 1.00 0.00 C ATOM 526 CE LYS A 35 33.487 -13.263 14.522 1.00 0.00 C ATOM 527 NZ LYS A 35 33.698 -12.482 15.768 1.00 0.00 N ATOM 0 H LYS A 35 31.184 -18.953 14.134 1.00 0.00 H new ATOM 0 HA LYS A 35 30.951 -17.073 11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.021 -16.509 14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.601 -17.259 14.457 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.540 -15.520 12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.958 -14.782 12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 35 31.865 -14.458 15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.440 -15.209 15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.447 -13.427 14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.872 -12.684 13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.550 -11.894 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.873 -11.872 15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.819 -13.133 16.570 1.00 0.00 H new ATOM 541 N MET A 36 33.596 -18.973 12.261 1.00 0.00 N ATOM 542 CA MET A 36 34.783 -19.497 11.575 1.00 0.00 C ATOM 543 C MET A 36 34.463 -20.034 10.179 1.00 0.00 C ATOM 544 O MET A 36 35.168 -19.694 9.225 1.00 0.00 O ATOM 545 CB MET A 36 35.451 -20.571 12.441 1.00 0.00 C ATOM 546 CG MET A 36 36.118 -19.985 13.687 1.00 0.00 C ATOM 547 SD MET A 36 37.433 -18.792 13.306 1.00 0.00 S ATOM 548 CE MET A 36 38.294 -18.771 14.891 1.00 0.00 C ATOM 0 H MET A 36 33.431 -19.415 13.165 1.00 0.00 H new ATOM 0 HA MET A 36 35.477 -18.669 11.432 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.705 -21.306 12.743 1.00 0.00 H new ATOM 0 HB3 MET A 36 36.197 -21.100 11.848 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.361 -19.496 14.300 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.535 -20.797 14.283 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.179 -18.139 14.816 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.630 -18.376 15.660 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.594 -19.785 15.156 1.00 0.00 H new ATOM 558 N LYS A 37 33.379 -20.811 10.019 1.00 0.00 N ATOM 559 CA LYS A 37 32.945 -21.265 8.692 1.00 0.00 C ATOM 560 C LYS A 37 32.600 -20.077 7.790 1.00 0.00 C ATOM 561 O LYS A 37 33.069 -20.021 6.657 1.00 0.00 O ATOM 562 CB LYS A 37 31.745 -22.211 8.818 1.00 0.00 C ATOM 563 CG LYS A 37 32.144 -23.537 9.474 1.00 0.00 C ATOM 564 CD LYS A 37 30.934 -24.467 9.517 1.00 0.00 C ATOM 565 CE LYS A 37 31.318 -25.807 10.150 1.00 0.00 C ATOM 566 NZ LYS A 37 30.750 -25.943 11.502 1.00 0.00 N ATOM 0 H LYS A 37 32.792 -21.135 10.788 1.00 0.00 H new ATOM 0 HA LYS A 37 33.771 -21.808 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.963 -21.733 9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.326 -22.404 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.955 -24.003 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.515 -23.359 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.130 -24.003 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 37 30.555 -24.629 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.964 -26.624 9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.404 -25.890 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.836 -26.930 11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.266 -25.324 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.746 -25.671 11.486 1.00 0.00 H new ATOM 580 N ARG A 38 31.844 -19.093 8.291 1.00 0.00 N ATOM 581 CA ARG A 38 31.480 -17.883 7.525 1.00 0.00 C ATOM 582 C ARG A 38 32.726 -17.102 7.079 1.00 0.00 C ATOM 583 O ARG A 38 32.786 -16.659 5.933 1.00 0.00 O ATOM 584 CB ARG A 38 30.482 -17.033 8.335 1.00 0.00 C ATOM 585 CG ARG A 38 29.105 -17.721 8.419 1.00 0.00 C ATOM 586 CD ARG A 38 28.191 -17.048 9.453 1.00 0.00 C ATOM 587 NE ARG A 38 26.799 -17.549 9.390 1.00 0.00 N ATOM 588 CZ ARG A 38 26.315 -18.701 9.829 1.00 0.00 C ATOM 589 NH1 ARG A 38 27.052 -19.630 10.361 1.00 0.00 N ATOM 590 NH2 ARG A 38 25.042 -18.950 9.747 1.00 0.00 N ATOM 0 H ARG A 38 31.465 -19.108 9.238 1.00 0.00 H new ATOM 0 HA ARG A 38 30.979 -18.178 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.871 -16.869 9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 38 30.374 -16.053 7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.626 -17.696 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 38 29.239 -18.770 8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.591 -17.219 10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 38 28.194 -15.970 9.289 1.00 0.00 H new ATOM 0 HE ARG A 38 26.123 -16.924 8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 38 28.058 -19.490 10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 38 26.625 -20.499 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 38 24.412 -18.257 9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 38 24.673 -19.838 10.086 1.00 0.00 H new ATOM 604 N VAL A 39 33.740 -16.988 7.942 1.00 0.00 N ATOM 605 CA VAL A 39 35.024 -16.329 7.640 1.00 0.00 C ATOM 606 C VAL A 39 35.783 -17.047 6.520 1.00 0.00 C ATOM 607 O VAL A 39 36.137 -16.400 5.532 1.00 0.00 O ATOM 608 CB VAL A 39 35.909 -16.223 8.900 1.00 0.00 C ATOM 609 CG1 VAL A 39 37.290 -15.637 8.610 1.00 0.00 C ATOM 610 CG2 VAL A 39 35.314 -15.283 9.945 1.00 0.00 C ATOM 0 H VAL A 39 33.695 -17.358 8.892 1.00 0.00 H new ATOM 0 HA VAL A 39 34.788 -15.322 7.295 1.00 0.00 H new ATOM 0 HB VAL A 39 35.975 -17.251 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.866 -15.588 9.534 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.811 -16.270 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.180 -14.634 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.972 -15.241 10.813 1.00 0.00 H new ATOM 0 HG22 VAL A 39 35.210 -14.285 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.334 -15.651 10.250 1.00 0.00 H new ATOM 620 N VAL A 40 36.025 -18.367 6.624 1.00 0.00 N ATOM 621 CA VAL A 40 36.749 -19.087 5.556 1.00 0.00 C ATOM 622 C VAL A 40 35.968 -19.041 4.233 1.00 0.00 C ATOM 623 O VAL A 40 36.560 -18.777 3.190 1.00 0.00 O ATOM 624 CB VAL A 40 37.179 -20.517 5.949 1.00 0.00 C ATOM 625 CG1 VAL A 40 36.063 -21.564 5.917 1.00 0.00 C ATOM 626 CG2 VAL A 40 38.302 -20.999 5.018 1.00 0.00 C ATOM 0 H VAL A 40 35.739 -18.946 7.414 1.00 0.00 H new ATOM 0 HA VAL A 40 37.687 -18.554 5.404 1.00 0.00 H new ATOM 0 HB VAL A 40 37.504 -20.433 6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 40 36.466 -22.534 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 40 35.273 -21.276 6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.654 -21.629 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.601 -22.008 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.945 -21.001 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 40 39.158 -20.330 5.104 1.00 0.00 H new ATOM 636 N GLN A 41 34.641 -19.234 4.263 1.00 0.00 N ATOM 637 CA GLN A 41 33.765 -19.157 3.086 1.00 0.00 C ATOM 638 C GLN A 41 33.834 -17.790 2.394 1.00 0.00 C ATOM 639 O GLN A 41 33.884 -17.737 1.163 1.00 0.00 O ATOM 640 CB GLN A 41 32.316 -19.466 3.481 1.00 0.00 C ATOM 641 CG GLN A 41 32.065 -20.957 3.798 1.00 0.00 C ATOM 642 CD GLN A 41 32.394 -21.901 2.644 1.00 0.00 C ATOM 643 OE1 GLN A 41 33.395 -22.610 2.655 1.00 0.00 O ATOM 644 NE2 GLN A 41 31.585 -21.950 1.607 1.00 0.00 N ATOM 0 H GLN A 41 34.138 -19.452 5.123 1.00 0.00 H new ATOM 0 HA GLN A 41 34.120 -19.903 2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.051 -18.868 4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.654 -19.159 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.661 -21.239 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 41 31.019 -21.088 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 41 30.749 -21.366 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.794 -22.572 0.826 1.00 0.00 H new ATOM 653 N HIS A 42 33.874 -16.693 3.159 1.00 0.00 N ATOM 654 CA HIS A 42 34.054 -15.353 2.590 1.00 0.00 C ATOM 655 C HIS A 42 35.393 -15.273 1.821 1.00 0.00 C ATOM 656 O HIS A 42 35.405 -14.991 0.620 1.00 0.00 O ATOM 657 CB HIS A 42 33.960 -14.280 3.696 1.00 0.00 C ATOM 658 CG HIS A 42 34.598 -12.976 3.276 1.00 0.00 C ATOM 659 ND1 HIS A 42 34.149 -12.133 2.281 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.902 -12.635 3.532 1.00 0.00 C ATOM 661 CE1 HIS A 42 35.175 -11.341 1.916 1.00 0.00 C ATOM 662 NE2 HIS A 42 36.262 -11.612 2.653 1.00 0.00 N ATOM 0 H HIS A 42 33.784 -16.707 4.175 1.00 0.00 H new ATOM 0 HA HIS A 42 33.253 -15.157 1.877 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.913 -14.107 3.946 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.447 -14.647 4.600 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.207 -12.113 1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.539 -13.080 4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.129 -10.593 1.139 1.00 0.00 H new ATOM 670 N THR A 43 36.515 -15.558 2.492 1.00 0.00 N ATOM 671 CA THR A 43 37.873 -15.491 1.917 1.00 0.00 C ATOM 672 C THR A 43 38.071 -16.415 0.716 1.00 0.00 C ATOM 673 O THR A 43 38.745 -16.045 -0.250 1.00 0.00 O ATOM 674 CB THR A 43 38.901 -15.765 3.019 1.00 0.00 C ATOM 675 OG1 THR A 43 38.867 -14.672 3.900 1.00 0.00 O ATOM 676 CG2 THR A 43 40.342 -15.974 2.548 1.00 0.00 C ATOM 0 H THR A 43 36.509 -15.848 3.470 1.00 0.00 H new ATOM 0 HA THR A 43 38.018 -14.484 1.525 1.00 0.00 H new ATOM 0 HB THR A 43 38.617 -16.711 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.879 -13.837 3.386 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.983 -16.160 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.384 -16.829 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.687 -15.082 2.025 1.00 0.00 H new ATOM 684 N LYS A 44 37.431 -17.592 0.725 1.00 0.00 N ATOM 685 CA LYS A 44 37.403 -18.574 -0.377 1.00 0.00 C ATOM 686 C LYS A 44 36.880 -17.996 -1.711 1.00 0.00 C ATOM 687 O LYS A 44 37.051 -18.638 -2.748 1.00 0.00 O ATOM 688 CB LYS A 44 36.557 -19.783 0.072 1.00 0.00 C ATOM 689 CG LYS A 44 37.338 -20.891 0.797 1.00 0.00 C ATOM 690 CD LYS A 44 36.313 -21.890 1.356 1.00 0.00 C ATOM 691 CE LYS A 44 36.937 -23.126 2.007 1.00 0.00 C ATOM 692 NZ LYS A 44 35.874 -24.104 2.367 1.00 0.00 N ATOM 0 H LYS A 44 36.894 -17.903 1.534 1.00 0.00 H new ATOM 0 HA LYS A 44 38.430 -18.876 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.764 -19.428 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 44 36.074 -20.214 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 44 38.023 -21.389 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.942 -20.471 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.689 -21.381 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.656 -22.211 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 44 37.650 -23.587 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 44 37.493 -22.836 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 36.125 -24.577 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 34.969 -23.606 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 35.785 -24.813 1.612 1.00 0.00 H new ATOM 706 N GLY A 45 36.269 -16.803 -1.707 1.00 0.00 N ATOM 707 CA GLY A 45 35.741 -16.115 -2.893 1.00 0.00 C ATOM 708 C GLY A 45 35.825 -14.578 -2.852 1.00 0.00 C ATOM 709 O GLY A 45 35.103 -13.921 -3.610 1.00 0.00 O ATOM 0 H GLY A 45 36.124 -16.272 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 45 36.283 -16.469 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.698 -16.402 -3.026 1.00 0.00 H new ATOM 713 N CYS A 46 36.667 -13.995 -1.986 1.00 0.00 N ATOM 714 CA CYS A 46 36.831 -12.544 -1.842 1.00 0.00 C ATOM 715 C CYS A 46 37.357 -11.858 -3.122 1.00 0.00 C ATOM 716 O CYS A 46 38.030 -12.461 -3.969 1.00 0.00 O ATOM 717 CB CYS A 46 37.719 -12.264 -0.616 1.00 0.00 C ATOM 718 SG CYS A 46 37.824 -10.482 -0.222 1.00 0.00 S ATOM 0 H CYS A 46 37.263 -14.530 -1.355 1.00 0.00 H new ATOM 0 HA CYS A 46 35.848 -12.101 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 46 37.323 -12.801 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 46 38.721 -12.652 -0.800 1.00 0.00 H new ATOM 0 HG CYS A 46 36.627 -9.976 -0.179 1.00 0.00 H new ATOM 723 N LYS A 47 37.073 -10.557 -3.221 1.00 0.00 N ATOM 724 CA LYS A 47 37.457 -9.634 -4.302 1.00 0.00 C ATOM 725 C LYS A 47 38.357 -8.491 -3.794 1.00 0.00 C ATOM 726 O LYS A 47 38.696 -7.592 -4.566 1.00 0.00 O ATOM 727 CB LYS A 47 36.183 -9.090 -4.986 1.00 0.00 C ATOM 728 CG LYS A 47 35.232 -10.160 -5.562 1.00 0.00 C ATOM 729 CD LYS A 47 35.834 -11.071 -6.644 1.00 0.00 C ATOM 730 CE LYS A 47 36.282 -10.281 -7.882 1.00 0.00 C ATOM 731 NZ LYS A 47 36.761 -11.182 -8.964 1.00 0.00 N ATOM 0 H LYS A 47 36.530 -10.083 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 47 38.048 -10.184 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.631 -8.489 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 47 36.482 -8.422 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.878 -10.785 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 47 34.359 -9.658 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 47 36.687 -11.610 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.097 -11.818 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 47 35.451 -9.679 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 47 37.078 -9.590 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 37.055 -10.614 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 37.570 -11.738 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 35.993 -11.825 -9.246 1.00 0.00 H new ATOM 745 N ARG A 48 38.750 -8.522 -2.512 1.00 0.00 N ATOM 746 CA ARG A 48 39.591 -7.526 -1.832 1.00 0.00 C ATOM 747 C ARG A 48 40.897 -8.165 -1.344 1.00 0.00 C ATOM 748 O ARG A 48 41.964 -7.678 -1.718 1.00 0.00 O ATOM 749 CB ARG A 48 38.816 -6.965 -0.628 1.00 0.00 C ATOM 750 CG ARG A 48 37.465 -6.313 -0.905 1.00 0.00 C ATOM 751 CD ARG A 48 36.800 -5.817 0.392 1.00 0.00 C ATOM 752 NE ARG A 48 36.559 -6.903 1.371 1.00 0.00 N ATOM 753 CZ ARG A 48 35.511 -7.090 2.149 1.00 0.00 C ATOM 754 NH1 ARG A 48 34.467 -6.307 2.142 1.00 0.00 N ATOM 755 NH2 ARG A 48 35.518 -8.087 2.972 1.00 0.00 N ATOM 0 H ARG A 48 38.476 -9.282 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 48 39.837 -6.727 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 48 38.659 -7.779 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 48 39.450 -6.229 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.598 -5.476 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 48 36.809 -7.029 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 48 37.432 -5.056 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 48 35.852 -5.339 0.148 1.00 0.00 H new ATOM 0 HE ARG A 48 37.302 -7.597 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 48 34.436 -5.504 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 48 33.682 -6.498 2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 48 36.324 -8.711 3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 48 34.717 -8.250 3.583 1.00 0.00 H new ATOM 769 N LYS A 49 40.794 -9.246 -0.555 1.00 0.00 N ATOM 770 CA LYS A 49 41.838 -10.070 0.093 1.00 0.00 C ATOM 771 C LYS A 49 43.066 -9.349 0.692 1.00 0.00 C ATOM 772 O LYS A 49 43.127 -8.119 0.746 1.00 0.00 O ATOM 773 CB LYS A 49 42.158 -11.291 -0.789 1.00 0.00 C ATOM 774 CG LYS A 49 42.786 -10.992 -2.166 1.00 0.00 C ATOM 775 CD LYS A 49 41.843 -11.324 -3.335 1.00 0.00 C ATOM 776 CE LYS A 49 41.640 -12.842 -3.469 1.00 0.00 C ATOM 777 NZ LYS A 49 40.706 -13.181 -4.574 1.00 0.00 N ATOM 0 H LYS A 49 39.869 -9.610 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 49 41.393 -10.416 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.836 -11.943 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.236 -11.850 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.060 -9.938 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.706 -11.566 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 49 40.880 -10.838 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.254 -10.926 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 49 42.602 -13.323 -3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.253 -13.241 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 40.751 -14.202 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 39.737 -12.922 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 40.976 -12.656 -5.430 1.00 0.00 H new ATOM 791 N THR A 50 44.070 -10.097 1.170 1.00 0.00 N ATOM 792 CA THR A 50 45.319 -9.535 1.744 1.00 0.00 C ATOM 793 C THR A 50 46.105 -8.697 0.731 1.00 0.00 C ATOM 794 O THR A 50 46.762 -7.726 1.104 1.00 0.00 O ATOM 795 CB THR A 50 46.272 -10.625 2.264 1.00 0.00 C ATOM 796 OG1 THR A 50 46.530 -11.562 1.244 1.00 0.00 O ATOM 797 CG2 THR A 50 45.764 -11.396 3.481 1.00 0.00 C ATOM 0 H THR A 50 44.047 -11.117 1.173 1.00 0.00 H new ATOM 0 HA THR A 50 44.980 -8.908 2.569 1.00 0.00 H new ATOM 0 HB THR A 50 47.168 -10.087 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.431 -11.930 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.503 -12.142 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.599 -10.704 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 50 44.827 -11.893 3.232 1.00 0.00 H new ATOM 805 N ASN A 51 46.032 -9.063 -0.554 1.00 0.00 N ATOM 806 CA ASN A 51 46.711 -8.383 -1.658 1.00 0.00 C ATOM 807 C ASN A 51 46.173 -6.961 -1.943 1.00 0.00 C ATOM 808 O ASN A 51 46.904 -6.137 -2.497 1.00 0.00 O ATOM 809 CB ASN A 51 46.612 -9.295 -2.894 1.00 0.00 C ATOM 810 CG ASN A 51 47.543 -8.852 -4.011 1.00 0.00 C ATOM 811 OD1 ASN A 51 47.135 -8.259 -5.001 1.00 0.00 O ATOM 812 ND2 ASN A 51 48.819 -9.139 -3.892 1.00 0.00 N ATOM 0 H ASN A 51 45.482 -9.865 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 51 47.752 -8.219 -1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 51 46.852 -10.319 -2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 51 45.585 -9.299 -3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 51 49.473 -8.868 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 51 49.156 -9.633 -3.066 1.00 0.00 H new ATOM 819 N GLY A 52 44.922 -6.662 -1.559 1.00 0.00 N ATOM 820 CA GLY A 52 44.273 -5.360 -1.768 1.00 0.00 C ATOM 821 C GLY A 52 43.974 -4.582 -0.479 1.00 0.00 C ATOM 822 O GLY A 52 44.144 -3.361 -0.464 1.00 0.00 O ATOM 0 H GLY A 52 44.321 -7.335 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 52 44.911 -4.749 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 52 43.339 -5.517 -2.308 1.00 0.00 H new ATOM 826 N GLY A 53 43.573 -5.259 0.608 1.00 0.00 N ATOM 827 CA GLY A 53 43.323 -4.627 1.916 1.00 0.00 C ATOM 828 C GLY A 53 42.099 -5.108 2.713 1.00 0.00 C ATOM 829 O GLY A 53 41.691 -4.402 3.639 1.00 0.00 O ATOM 0 H GLY A 53 43.412 -6.266 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 53 44.207 -4.775 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 53 43.221 -3.554 1.757 1.00 0.00 H new ATOM 833 N CYS A 54 41.497 -6.257 2.381 1.00 0.00 N ATOM 834 CA CYS A 54 40.322 -6.793 3.080 1.00 0.00 C ATOM 835 C CYS A 54 40.559 -6.978 4.595 1.00 0.00 C ATOM 836 O CYS A 54 41.559 -7.605 4.979 1.00 0.00 O ATOM 837 CB CYS A 54 39.987 -8.140 2.452 1.00 0.00 C ATOM 838 SG CYS A 54 38.426 -8.814 3.081 1.00 0.00 S ATOM 0 H CYS A 54 41.815 -6.847 1.612 1.00 0.00 H new ATOM 0 HA CYS A 54 39.504 -6.080 2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 54 39.924 -8.030 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.794 -8.845 2.654 1.00 0.00 H new ATOM 0 HG CYS A 54 38.446 -10.111 2.993 1.00 0.00 H new ATOM 843 N PRO A 55 39.673 -6.468 5.475 1.00 0.00 N ATOM 844 CA PRO A 55 39.843 -6.641 6.907 1.00 0.00 C ATOM 845 C PRO A 55 39.541 -8.078 7.345 1.00 0.00 C ATOM 846 O PRO A 55 40.167 -8.543 8.294 1.00 0.00 O ATOM 847 CB PRO A 55 38.881 -5.638 7.550 1.00 0.00 C ATOM 848 CG PRO A 55 37.738 -5.562 6.540 1.00 0.00 C ATOM 849 CD PRO A 55 38.457 -5.714 5.195 1.00 0.00 C ATOM 0 HA PRO A 55 40.874 -6.462 7.213 1.00 0.00 H new ATOM 0 HB2 PRO A 55 38.535 -5.979 8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.352 -4.667 7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.006 -6.354 6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.202 -4.615 6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.830 -6.238 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.691 -4.740 4.765 1.00 0.00 H new ATOM 857 N VAL A 56 38.628 -8.797 6.673 1.00 0.00 N ATOM 858 CA VAL A 56 38.279 -10.181 7.033 1.00 0.00 C ATOM 859 C VAL A 56 39.389 -11.146 6.642 1.00 0.00 C ATOM 860 O VAL A 56 39.869 -11.876 7.515 1.00 0.00 O ATOM 861 CB VAL A 56 36.945 -10.657 6.428 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.582 -12.034 7.004 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.785 -9.705 6.743 1.00 0.00 C ATOM 0 H VAL A 56 38.113 -8.438 5.869 1.00 0.00 H new ATOM 0 HA VAL A 56 38.158 -10.177 8.116 1.00 0.00 H new ATOM 0 HB VAL A 56 37.086 -10.694 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.638 -12.370 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.367 -12.749 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.483 -11.961 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 56 34.868 -10.087 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.657 -9.633 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.004 -8.718 6.337 1.00 0.00 H new ATOM 873 N CYS A 57 39.817 -11.143 5.375 1.00 0.00 N ATOM 874 CA CYS A 57 40.873 -12.023 4.901 1.00 0.00 C ATOM 875 C CYS A 57 42.155 -11.873 5.719 1.00 0.00 C ATOM 876 O CYS A 57 42.693 -12.856 6.230 1.00 0.00 O ATOM 877 CB CYS A 57 41.155 -11.744 3.429 1.00 0.00 C ATOM 878 SG CYS A 57 39.739 -12.208 2.386 1.00 0.00 S ATOM 0 H CYS A 57 39.437 -10.528 4.655 1.00 0.00 H new ATOM 0 HA CYS A 57 40.528 -13.050 5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.378 -10.686 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 57 42.039 -12.299 3.114 1.00 0.00 H new ATOM 0 HG CYS A 57 39.431 -11.215 1.606 1.00 0.00 H new ATOM 883 N LYS A 58 42.645 -10.641 5.899 1.00 0.00 N ATOM 884 CA LYS A 58 43.858 -10.421 6.695 1.00 0.00 C ATOM 885 C LYS A 58 43.717 -10.961 8.133 1.00 0.00 C ATOM 886 O LYS A 58 44.718 -11.373 8.719 1.00 0.00 O ATOM 887 CB LYS A 58 44.237 -8.927 6.719 1.00 0.00 C ATOM 888 CG LYS A 58 44.749 -8.421 5.359 1.00 0.00 C ATOM 889 CD LYS A 58 45.016 -6.908 5.305 1.00 0.00 C ATOM 890 CE LYS A 58 46.160 -6.497 6.243 1.00 0.00 C ATOM 891 NZ LYS A 58 46.441 -5.039 6.162 1.00 0.00 N ATOM 0 H LYS A 58 42.229 -9.794 5.512 1.00 0.00 H new ATOM 0 HA LYS A 58 44.659 -10.980 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.367 -8.341 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 58 45.005 -8.764 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.670 -8.949 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 58 44.019 -8.677 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.262 -6.619 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 58 44.109 -6.369 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 58 45.902 -6.762 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.060 -7.056 5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 47.219 -4.799 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 46.711 -4.791 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 45.590 -4.506 6.432 1.00 0.00 H new ATOM 905 N GLN A 59 42.501 -11.002 8.696 1.00 0.00 N ATOM 906 CA GLN A 59 42.247 -11.494 10.054 1.00 0.00 C ATOM 907 C GLN A 59 42.508 -13.001 10.192 1.00 0.00 C ATOM 908 O GLN A 59 43.352 -13.380 11.008 1.00 0.00 O ATOM 909 CB GLN A 59 40.825 -11.120 10.521 1.00 0.00 C ATOM 910 CG GLN A 59 40.789 -10.678 11.997 1.00 0.00 C ATOM 911 CD GLN A 59 41.408 -9.296 12.256 1.00 0.00 C ATOM 912 OE1 GLN A 59 42.061 -8.687 11.422 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.226 -8.729 13.429 1.00 0.00 N ATOM 0 H GLN A 59 41.658 -10.690 8.214 1.00 0.00 H new ATOM 0 HA GLN A 59 42.960 -10.997 10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.439 -10.316 9.894 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.164 -11.976 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 59 39.753 -10.669 12.337 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.316 -11.418 12.599 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.686 -9.209 14.149 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.625 -7.810 13.618 1.00 0.00 H new ATOM 922 N LEU A 60 41.852 -13.869 9.398 1.00 0.00 N ATOM 923 CA LEU A 60 42.152 -15.310 9.466 1.00 0.00 C ATOM 924 C LEU A 60 43.566 -15.604 8.975 1.00 0.00 C ATOM 925 O LEU A 60 44.191 -16.515 9.493 1.00 0.00 O ATOM 926 CB LEU A 60 41.151 -16.258 8.768 1.00 0.00 C ATOM 927 CG LEU A 60 41.192 -16.368 7.233 1.00 0.00 C ATOM 928 CD1 LEU A 60 40.515 -17.653 6.750 1.00 0.00 C ATOM 929 CD2 LEU A 60 40.500 -15.190 6.580 1.00 0.00 C ATOM 0 H LEU A 60 41.133 -13.608 8.723 1.00 0.00 H new ATOM 0 HA LEU A 60 42.054 -15.533 10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 60 41.301 -17.257 9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 60 40.146 -15.946 9.051 1.00 0.00 H new ATOM 0 HG LEU A 60 42.244 -16.379 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.560 -17.701 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.029 -18.516 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.473 -17.658 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 60 40.546 -15.296 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 60 39.458 -15.158 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.998 -14.266 6.875 1.00 0.00 H new ATOM 941 N ILE A 61 44.090 -14.855 8.002 1.00 0.00 N ATOM 942 CA ILE A 61 45.445 -15.081 7.493 1.00 0.00 C ATOM 943 C ILE A 61 46.483 -14.847 8.587 1.00 0.00 C ATOM 944 O ILE A 61 47.398 -15.659 8.707 1.00 0.00 O ATOM 945 CB ILE A 61 45.650 -14.281 6.190 1.00 0.00 C ATOM 946 CG1 ILE A 61 44.763 -14.877 5.079 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.086 -14.220 5.635 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.047 -16.350 4.802 1.00 0.00 C ATOM 0 H ILE A 61 43.596 -14.086 7.550 1.00 0.00 H new ATOM 0 HA ILE A 61 45.586 -16.125 7.215 1.00 0.00 H new ATOM 0 HB ILE A 61 45.386 -13.261 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 61 43.716 -14.763 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 61 44.911 -14.307 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 61 47.097 -13.630 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 61 47.742 -13.757 6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.436 -15.230 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.388 -16.705 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.085 -16.468 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 61 44.872 -16.931 5.707 1.00 0.00 H new ATOM 960 N ALA A 62 46.322 -13.835 9.449 1.00 0.00 N ATOM 961 CA ALA A 62 47.207 -13.648 10.603 1.00 0.00 C ATOM 962 C ALA A 62 47.115 -14.881 11.519 1.00 0.00 C ATOM 963 O ALA A 62 48.122 -15.495 11.877 1.00 0.00 O ATOM 964 CB ALA A 62 46.803 -12.359 11.342 1.00 0.00 C ATOM 0 H ALA A 62 45.586 -13.133 9.368 1.00 0.00 H new ATOM 0 HA ALA A 62 48.243 -13.545 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.457 -12.213 12.202 1.00 0.00 H new ATOM 0 HB2 ALA A 62 46.896 -11.508 10.667 1.00 0.00 H new ATOM 0 HB3 ALA A 62 45.770 -12.442 11.681 1.00 0.00 H new ATOM 970 N LEU A 63 45.881 -15.266 11.849 1.00 0.00 N ATOM 971 CA LEU A 63 45.529 -16.410 12.694 1.00 0.00 C ATOM 972 C LEU A 63 46.152 -17.728 12.180 1.00 0.00 C ATOM 973 O LEU A 63 46.772 -18.473 12.941 1.00 0.00 O ATOM 974 CB LEU A 63 43.985 -16.433 12.770 1.00 0.00 C ATOM 975 CG LEU A 63 43.423 -16.705 14.172 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.007 -16.132 14.282 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.382 -18.201 14.449 1.00 0.00 C ATOM 0 H LEU A 63 45.058 -14.763 11.518 1.00 0.00 H new ATOM 0 HA LEU A 63 45.943 -16.309 13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.602 -15.475 12.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.611 -17.196 12.088 1.00 0.00 H new ATOM 0 HG LEU A 63 44.073 -16.226 14.904 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.612 -16.327 15.279 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.035 -15.056 14.107 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.365 -16.604 13.538 1.00 0.00 H new ATOM 0 HD21 LEU A 63 42.981 -18.375 15.447 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.746 -18.690 13.712 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.390 -18.610 14.387 1.00 0.00 H new ATOM 989 N CYS A 64 46.044 -17.985 10.875 1.00 0.00 N ATOM 990 CA CYS A 64 46.628 -19.133 10.192 1.00 0.00 C ATOM 991 C CYS A 64 48.159 -19.033 10.131 1.00 0.00 C ATOM 992 O CYS A 64 48.811 -20.053 10.314 1.00 0.00 O ATOM 993 CB CYS A 64 46.041 -19.265 8.779 1.00 0.00 C ATOM 994 SG CYS A 64 44.285 -19.723 8.838 1.00 0.00 S ATOM 0 H CYS A 64 45.527 -17.373 10.244 1.00 0.00 H new ATOM 0 HA CYS A 64 46.378 -20.026 10.765 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.156 -18.322 8.245 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.597 -20.017 8.220 1.00 0.00 H new ATOM 0 HG CYS A 64 43.573 -18.676 9.135 1.00 0.00 H new ATOM 1000 N CYS A 65 48.756 -17.849 9.931 1.00 0.00 N ATOM 1001 CA CYS A 65 50.217 -17.674 9.957 1.00 0.00 C ATOM 1002 C CYS A 65 50.790 -18.016 11.337 1.00 0.00 C ATOM 1003 O CYS A 65 51.812 -18.697 11.424 1.00 0.00 O ATOM 1004 CB CYS A 65 50.605 -16.250 9.542 1.00 0.00 C ATOM 1005 SG CYS A 65 50.361 -16.015 7.761 1.00 0.00 S ATOM 0 H CYS A 65 48.242 -16.987 9.747 1.00 0.00 H new ATOM 0 HA CYS A 65 50.649 -18.367 9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.004 -15.528 10.095 1.00 0.00 H new ATOM 0 HB3 CYS A 65 51.647 -16.062 9.800 1.00 0.00 H new ATOM 0 HG CYS A 65 50.049 -14.775 7.526 1.00 0.00 H new ATOM 1011 N TYR A 66 50.118 -17.598 12.414 1.00 0.00 N ATOM 1012 CA TYR A 66 50.510 -17.910 13.789 1.00 0.00 C ATOM 1013 C TYR A 66 50.568 -19.429 14.021 1.00 0.00 C ATOM 1014 O TYR A 66 51.533 -19.941 14.589 1.00 0.00 O ATOM 1015 CB TYR A 66 49.512 -17.251 14.745 1.00 0.00 C ATOM 1016 CG TYR A 66 50.041 -16.991 16.139 1.00 0.00 C ATOM 1017 CD1 TYR A 66 50.725 -15.791 16.402 1.00 0.00 C ATOM 1018 CD2 TYR A 66 49.776 -17.894 17.187 1.00 0.00 C ATOM 1019 CE1 TYR A 66 51.032 -15.432 17.726 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.134 -17.566 18.508 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.745 -16.323 18.783 1.00 0.00 C ATOM 1022 OH TYR A 66 51.068 -15.991 20.061 1.00 0.00 O ATOM 0 H TYR A 66 49.276 -17.026 12.353 1.00 0.00 H new ATOM 0 HA TYR A 66 51.510 -17.520 13.975 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.188 -16.304 14.313 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.629 -17.886 14.820 1.00 0.00 H new ATOM 0 HD1 TYR A 66 51.015 -15.145 15.587 1.00 0.00 H new ATOM 0 HD2 TYR A 66 49.298 -18.839 16.977 1.00 0.00 H new ATOM 0 HE1 TYR A 66 51.487 -14.475 17.935 1.00 0.00 H new ATOM 0 HE2 TYR A 66 49.942 -18.264 19.310 1.00 0.00 H new ATOM 0 HH TYR A 66 50.801 -16.715 20.665 1.00 0.00 H new ATOM 1032 N HIS A 67 49.558 -20.158 13.532 1.00 0.00 N ATOM 1033 CA HIS A 67 49.505 -21.618 13.602 1.00 0.00 C ATOM 1034 C HIS A 67 50.555 -22.266 12.669 1.00 0.00 C ATOM 1035 O HIS A 67 51.398 -23.035 13.136 1.00 0.00 O ATOM 1036 CB HIS A 67 48.075 -22.085 13.281 1.00 0.00 C ATOM 1037 CG HIS A 67 47.966 -23.587 13.218 1.00 0.00 C ATOM 1038 ND1 HIS A 67 47.940 -24.462 14.284 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.099 -24.339 12.083 1.00 0.00 C ATOM 1040 CE1 HIS A 67 48.093 -25.709 13.800 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.208 -25.684 12.463 1.00 0.00 N ATOM 0 H HIS A 67 48.747 -19.744 13.072 1.00 0.00 H new ATOM 0 HA HIS A 67 49.757 -21.942 14.612 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.392 -21.705 14.040 1.00 0.00 H new ATOM 0 HB3 HIS A 67 47.761 -21.660 12.328 1.00 0.00 H new ATOM 0 HD1 HIS A 67 47.825 -24.209 15.265 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.117 -23.962 11.071 1.00 0.00 H new ATOM 0 HE1 HIS A 67 48.119 -26.604 14.403 1.00 0.00 H new ATOM 1049 N ALA A 68 50.546 -21.938 11.369 1.00 0.00 N ATOM 1050 CA ALA A 68 51.453 -22.475 10.356 1.00 0.00 C ATOM 1051 C ALA A 68 52.952 -22.273 10.664 1.00 0.00 C ATOM 1052 O ALA A 68 53.771 -23.087 10.234 1.00 0.00 O ATOM 1053 CB ALA A 68 51.059 -21.885 8.999 1.00 0.00 C ATOM 0 H ALA A 68 49.881 -21.267 10.985 1.00 0.00 H new ATOM 0 HA ALA A 68 51.338 -23.559 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.724 -22.273 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.031 -22.163 8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.141 -20.799 9.037 1.00 0.00 H new ATOM 1059 N LYS A 69 53.326 -21.229 11.424 1.00 0.00 N ATOM 1060 CA LYS A 69 54.715 -20.998 11.867 1.00 0.00 C ATOM 1061 C LYS A 69 55.237 -22.148 12.741 1.00 0.00 C ATOM 1062 O LYS A 69 56.398 -22.541 12.602 1.00 0.00 O ATOM 1063 CB LYS A 69 54.821 -19.665 12.634 1.00 0.00 C ATOM 1064 CG LYS A 69 55.238 -18.514 11.711 1.00 0.00 C ATOM 1065 CD LYS A 69 55.579 -17.210 12.455 1.00 0.00 C ATOM 1066 CE LYS A 69 56.441 -16.279 11.582 1.00 0.00 C ATOM 1067 NZ LYS A 69 57.808 -16.818 11.341 1.00 0.00 N ATOM 0 H LYS A 69 52.672 -20.518 11.750 1.00 0.00 H new ATOM 0 HA LYS A 69 55.336 -20.951 10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 69 53.861 -19.433 13.095 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.546 -19.766 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 69 56.104 -18.825 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.432 -18.317 11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.659 -16.699 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 69 56.111 -17.443 13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 69 55.943 -16.122 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.519 -15.305 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 58.437 -16.047 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 58.174 -17.241 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 57.769 -17.543 10.596 1.00 0.00 H new ATOM 1081 N HIS A 70 54.391 -22.687 13.621 1.00 0.00 N ATOM 1082 CA HIS A 70 54.720 -23.818 14.495 1.00 0.00 C ATOM 1083 C HIS A 70 54.393 -25.180 13.856 1.00 0.00 C ATOM 1084 O HIS A 70 55.106 -26.161 14.104 1.00 0.00 O ATOM 1085 CB HIS A 70 53.980 -23.656 15.831 1.00 0.00 C ATOM 1086 CG HIS A 70 54.431 -22.451 16.621 1.00 0.00 C ATOM 1087 ND1 HIS A 70 55.655 -22.291 17.233 1.00 0.00 N ATOM 1088 CD2 HIS A 70 53.707 -21.316 16.869 1.00 0.00 C ATOM 1089 CE1 HIS A 70 55.671 -21.088 17.834 1.00 0.00 C ATOM 1090 NE2 HIS A 70 54.501 -20.454 17.641 1.00 0.00 N ATOM 0 H HIS A 70 53.439 -22.344 13.750 1.00 0.00 H new ATOM 0 HA HIS A 70 55.797 -23.809 14.660 1.00 0.00 H new ATOM 0 HB2 HIS A 70 52.910 -23.576 15.638 1.00 0.00 H new ATOM 0 HB3 HIS A 70 54.129 -24.553 16.432 1.00 0.00 H new ATOM 0 HD2 HIS A 70 52.701 -21.118 16.530 1.00 0.00 H new ATOM 0 HE1 HIS A 70 56.505 -20.688 18.392 1.00 0.00 H new ATOM 0 HE2 HIS A 70 54.242 -19.530 17.987 1.00 0.00 H new ATOM 1098 N CYS A 71 53.329 -25.249 13.045 1.00 0.00 N ATOM 1099 CA CYS A 71 52.886 -26.476 12.381 1.00 0.00 C ATOM 1100 C CYS A 71 53.933 -27.023 11.394 1.00 0.00 C ATOM 1101 O CYS A 71 54.614 -26.273 10.687 1.00 0.00 O ATOM 1102 CB CYS A 71 51.552 -26.228 11.671 1.00 0.00 C ATOM 1103 SG CYS A 71 50.715 -27.815 11.344 1.00 0.00 S ATOM 0 H CYS A 71 52.745 -24.441 12.830 1.00 0.00 H new ATOM 0 HA CYS A 71 52.754 -27.237 13.150 1.00 0.00 H new ATOM 0 HB2 CYS A 71 50.916 -25.592 12.286 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.722 -25.697 10.734 1.00 0.00 H new ATOM 0 HG CYS A 71 49.800 -28.017 12.245 1.00 0.00 H new ATOM 1108 N GLN A 72 54.040 -28.351 11.344 1.00 0.00 N ATOM 1109 CA GLN A 72 54.980 -29.101 10.501 1.00 0.00 C ATOM 1110 C GLN A 72 54.310 -30.286 9.771 1.00 0.00 C ATOM 1111 O GLN A 72 54.971 -31.015 9.029 1.00 0.00 O ATOM 1112 CB GLN A 72 56.151 -29.572 11.390 1.00 0.00 C ATOM 1113 CG GLN A 72 57.062 -28.424 11.868 1.00 0.00 C ATOM 1114 CD GLN A 72 57.751 -28.749 13.190 1.00 0.00 C ATOM 1115 OE1 GLN A 72 58.674 -29.552 13.270 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.328 -28.142 14.281 1.00 0.00 N ATOM 0 H GLN A 72 53.452 -28.961 11.912 1.00 0.00 H new ATOM 0 HA GLN A 72 55.348 -28.446 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.750 -30.093 12.260 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.750 -30.294 10.835 1.00 0.00 H new ATOM 0 HG2 GLN A 72 57.816 -28.220 11.108 1.00 0.00 H new ATOM 0 HG3 GLN A 72 56.470 -27.516 11.982 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.561 -27.472 14.227 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.768 -28.342 15.179 1.00 0.00 H new ATOM 1125 N GLU A 73 53.002 -30.488 9.956 1.00 0.00 N ATOM 1126 CA GLU A 73 52.219 -31.556 9.322 1.00 0.00 C ATOM 1127 C GLU A 73 51.808 -31.185 7.883 1.00 0.00 C ATOM 1128 O GLU A 73 51.690 -30.006 7.537 1.00 0.00 O ATOM 1129 CB GLU A 73 50.993 -31.834 10.213 1.00 0.00 C ATOM 1130 CG GLU A 73 50.140 -33.060 9.866 1.00 0.00 C ATOM 1131 CD GLU A 73 50.968 -34.349 9.789 1.00 0.00 C ATOM 1132 OE1 GLU A 73 51.599 -34.574 8.729 1.00 0.00 O ATOM 1133 OE2 GLU A 73 50.970 -35.159 10.744 1.00 0.00 O ATOM 0 H GLU A 73 52.441 -29.896 10.569 1.00 0.00 H new ATOM 0 HA GLU A 73 52.825 -32.458 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.340 -31.943 11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.349 -30.955 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 73 49.358 -33.179 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.643 -32.894 8.910 1.00 0.00 H new ATOM 1140 N ASN A 74 51.560 -32.193 7.042 1.00 0.00 N ATOM 1141 CA ASN A 74 51.178 -32.023 5.627 1.00 0.00 C ATOM 1142 C ASN A 74 49.749 -32.511 5.296 1.00 0.00 C ATOM 1143 O ASN A 74 49.310 -32.456 4.146 1.00 0.00 O ATOM 1144 CB ASN A 74 52.273 -32.647 4.738 1.00 0.00 C ATOM 1145 CG ASN A 74 52.546 -31.793 3.509 1.00 0.00 C ATOM 1146 OD1 ASN A 74 52.233 -32.144 2.380 1.00 0.00 O ATOM 1147 ND2 ASN A 74 53.150 -30.641 3.710 1.00 0.00 N ATOM 0 H ASN A 74 51.619 -33.171 7.326 1.00 0.00 H new ATOM 0 HA ASN A 74 51.121 -30.956 5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 74 53.191 -32.760 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 74 51.966 -33.646 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 74 53.361 -30.031 2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 74 53.407 -30.358 4.656 1.00 0.00 H new ATOM 1154 N LYS A 75 49.029 -32.980 6.324 1.00 0.00 N ATOM 1155 CA LYS A 75 47.643 -33.483 6.322 1.00 0.00 C ATOM 1156 C LYS A 75 46.724 -32.691 7.279 1.00 0.00 C ATOM 1157 O LYS A 75 45.614 -33.133 7.584 1.00 0.00 O ATOM 1158 CB LYS A 75 47.669 -34.990 6.652 1.00 0.00 C ATOM 1159 CG LYS A 75 48.607 -35.785 5.719 1.00 0.00 C ATOM 1160 CD LYS A 75 49.969 -36.183 6.303 1.00 0.00 C ATOM 1161 CE LYS A 75 49.873 -37.129 7.507 1.00 0.00 C ATOM 1162 NZ LYS A 75 51.198 -37.281 8.161 1.00 0.00 N ATOM 0 H LYS A 75 49.433 -33.022 7.260 1.00 0.00 H new ATOM 0 HA LYS A 75 47.213 -33.337 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.989 -35.127 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.659 -35.393 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 75 48.090 -36.692 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 75 48.780 -35.192 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 75 50.563 -36.661 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 75 50.503 -35.281 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 75 49.150 -36.741 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 75 49.508 -38.103 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 51.099 -37.870 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 51.861 -37.735 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 51.563 -36.344 8.428 1.00 0.00 H new ATOM 1176 N CYS A 76 47.194 -31.530 7.752 1.00 0.00 N ATOM 1177 CA CYS A 76 46.504 -30.598 8.653 1.00 0.00 C ATOM 1178 C CYS A 76 45.126 -30.180 8.061 1.00 0.00 C ATOM 1179 O CYS A 76 45.042 -29.948 6.848 1.00 0.00 O ATOM 1180 CB CYS A 76 47.476 -29.414 8.859 1.00 0.00 C ATOM 1181 SG CYS A 76 47.181 -28.496 10.403 1.00 0.00 S ATOM 0 H CYS A 76 48.124 -31.195 7.500 1.00 0.00 H new ATOM 0 HA CYS A 76 46.265 -31.046 9.617 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.499 -29.789 8.858 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.387 -28.729 8.015 1.00 0.00 H new ATOM 0 HG CYS A 76 48.319 -28.148 10.925 1.00 0.00 H new ATOM 1186 N PRO A 77 44.028 -30.108 8.846 1.00 0.00 N ATOM 1187 CA PRO A 77 42.691 -29.813 8.316 1.00 0.00 C ATOM 1188 C PRO A 77 42.481 -28.381 7.799 1.00 0.00 C ATOM 1189 O PRO A 77 41.658 -28.181 6.903 1.00 0.00 O ATOM 1190 CB PRO A 77 41.724 -30.127 9.462 1.00 0.00 C ATOM 1191 CG PRO A 77 42.570 -29.918 10.716 1.00 0.00 C ATOM 1192 CD PRO A 77 43.957 -30.380 10.273 1.00 0.00 C ATOM 0 HA PRO A 77 42.526 -30.419 7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.858 -29.465 9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.346 -31.148 9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.573 -28.875 11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.198 -30.504 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.738 -29.845 10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 77 44.099 -31.441 10.476 1.00 0.00 H new ATOM 1200 N VAL A 78 43.191 -27.379 8.331 1.00 0.00 N ATOM 1201 CA VAL A 78 43.069 -25.973 7.901 1.00 0.00 C ATOM 1202 C VAL A 78 43.639 -25.828 6.477 1.00 0.00 C ATOM 1203 O VAL A 78 44.807 -26.168 6.269 1.00 0.00 O ATOM 1204 CB VAL A 78 43.786 -25.037 8.894 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.665 -23.567 8.476 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.191 -25.158 10.305 1.00 0.00 C ATOM 0 H VAL A 78 43.872 -27.518 9.077 1.00 0.00 H new ATOM 0 HA VAL A 78 42.018 -25.685 7.888 1.00 0.00 H new ATOM 0 HB VAL A 78 44.832 -25.343 8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.183 -22.939 9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.113 -23.431 7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.613 -23.285 8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 78 43.719 -24.485 10.981 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.135 -24.891 10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.297 -26.184 10.658 1.00 0.00 H new ATOM 1216 N PRO A 79 42.872 -25.336 5.478 1.00 0.00 N ATOM 1217 CA PRO A 79 43.353 -25.264 4.092 1.00 0.00 C ATOM 1218 C PRO A 79 44.535 -24.305 3.897 1.00 0.00 C ATOM 1219 O PRO A 79 45.444 -24.581 3.111 1.00 0.00 O ATOM 1220 CB PRO A 79 42.134 -24.864 3.252 1.00 0.00 C ATOM 1221 CG PRO A 79 41.208 -24.156 4.241 1.00 0.00 C ATOM 1222 CD PRO A 79 41.493 -24.864 5.564 1.00 0.00 C ATOM 0 HA PRO A 79 43.758 -26.227 3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.416 -24.206 2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.652 -25.736 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.425 -23.090 4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.162 -24.252 3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.365 -24.184 6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.805 -25.695 5.718 1.00 0.00 H new ATOM 1230 N PHE A 80 44.544 -23.181 4.618 1.00 0.00 N ATOM 1231 CA PHE A 80 45.606 -22.177 4.528 1.00 0.00 C ATOM 1232 C PHE A 80 46.901 -22.537 5.259 1.00 0.00 C ATOM 1233 O PHE A 80 47.953 -22.049 4.854 1.00 0.00 O ATOM 1234 CB PHE A 80 45.075 -20.827 5.024 1.00 0.00 C ATOM 1235 CG PHE A 80 44.472 -20.032 3.893 1.00 0.00 C ATOM 1236 CD1 PHE A 80 45.315 -19.274 3.058 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.095 -20.116 3.622 1.00 0.00 C ATOM 1238 CE1 PHE A 80 44.777 -18.589 1.956 1.00 0.00 C ATOM 1239 CE2 PHE A 80 42.556 -19.427 2.520 1.00 0.00 C ATOM 1240 CZ PHE A 80 43.397 -18.662 1.689 1.00 0.00 C ATOM 0 H PHE A 80 43.810 -22.941 5.284 1.00 0.00 H new ATOM 0 HA PHE A 80 45.881 -22.128 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.325 -20.990 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 80 45.886 -20.259 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 80 46.374 -19.219 3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 80 42.453 -20.708 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 80 45.422 -18.007 1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 80 41.498 -19.485 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 80 42.982 -18.130 0.845 1.00 0.00 H new ATOM 1250 N CYS A 81 46.864 -23.385 6.288 1.00 0.00 N ATOM 1251 CA CYS A 81 48.045 -23.760 7.070 1.00 0.00 C ATOM 1252 C CYS A 81 49.143 -24.371 6.178 1.00 0.00 C ATOM 1253 O CYS A 81 50.294 -23.921 6.143 1.00 0.00 O ATOM 1254 CB CYS A 81 47.541 -24.710 8.165 1.00 0.00 C ATOM 1255 SG CYS A 81 48.882 -25.526 9.064 1.00 0.00 S ATOM 0 H CYS A 81 46.006 -23.835 6.606 1.00 0.00 H new ATOM 0 HA CYS A 81 48.526 -22.894 7.525 1.00 0.00 H new ATOM 0 HB2 CYS A 81 46.926 -24.150 8.870 1.00 0.00 H new ATOM 0 HB3 CYS A 81 46.899 -25.467 7.714 1.00 0.00 H new ATOM 0 HG CYS A 81 48.442 -26.629 9.593 1.00 0.00 H new ATOM 1260 N LEU A 82 48.731 -25.364 5.387 1.00 0.00 N ATOM 1261 CA LEU A 82 49.521 -26.103 4.401 1.00 0.00 C ATOM 1262 C LEU A 82 50.183 -25.153 3.388 1.00 0.00 C ATOM 1263 O LEU A 82 51.387 -25.213 3.139 1.00 0.00 O ATOM 1264 CB LEU A 82 48.552 -27.055 3.677 1.00 0.00 C ATOM 1265 CG LEU A 82 47.760 -28.010 4.600 1.00 0.00 C ATOM 1266 CD1 LEU A 82 46.364 -28.211 4.021 1.00 0.00 C ATOM 1267 CD2 LEU A 82 48.481 -29.344 4.755 1.00 0.00 C ATOM 0 H LEU A 82 47.767 -25.696 5.422 1.00 0.00 H new ATOM 0 HA LEU A 82 50.324 -26.650 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 82 47.843 -26.459 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 82 49.119 -27.652 2.963 1.00 0.00 H new ATOM 0 HG LEU A 82 47.681 -27.568 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 82 45.797 -28.883 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 82 45.853 -27.250 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 82 46.443 -28.644 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.902 -29.996 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 82 48.590 -29.814 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 82 49.467 -29.177 5.189 1.00 0.00 H new ATOM 1279 N ASN A 83 49.380 -24.252 2.824 1.00 0.00 N ATOM 1280 CA ASN A 83 49.789 -23.247 1.850 1.00 0.00 C ATOM 1281 C ASN A 83 50.771 -22.215 2.442 1.00 0.00 C ATOM 1282 O ASN A 83 51.784 -21.898 1.815 1.00 0.00 O ATOM 1283 CB ASN A 83 48.491 -22.623 1.319 1.00 0.00 C ATOM 1284 CG ASN A 83 48.736 -21.408 0.452 1.00 0.00 C ATOM 1285 OD1 ASN A 83 49.150 -21.492 -0.695 1.00 0.00 O ATOM 1286 ND2 ASN A 83 48.490 -20.246 1.004 1.00 0.00 N ATOM 0 H ASN A 83 48.385 -24.202 3.044 1.00 0.00 H new ATOM 0 HA ASN A 83 50.356 -23.694 1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 83 47.943 -23.370 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 83 47.858 -22.341 2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 83 48.643 -19.387 0.475 1.00 0.00 H new ATOM 0 HD22 ASN A 83 48.145 -20.200 1.963 1.00 0.00 H new ATOM 1293 N ILE A 84 50.500 -21.700 3.647 1.00 0.00 N ATOM 1294 CA ILE A 84 51.350 -20.715 4.326 1.00 0.00 C ATOM 1295 C ILE A 84 52.692 -21.334 4.740 1.00 0.00 C ATOM 1296 O ILE A 84 53.727 -20.773 4.386 1.00 0.00 O ATOM 1297 CB ILE A 84 50.577 -20.092 5.512 1.00 0.00 C ATOM 1298 CG1 ILE A 84 49.374 -19.263 5.008 1.00 0.00 C ATOM 1299 CG2 ILE A 84 51.423 -19.183 6.420 1.00 0.00 C ATOM 1300 CD1 ILE A 84 48.366 -18.989 6.121 1.00 0.00 C ATOM 0 H ILE A 84 49.673 -21.959 4.185 1.00 0.00 H new ATOM 0 HA ILE A 84 51.596 -19.908 3.636 1.00 0.00 H new ATOM 0 HB ILE A 84 50.256 -20.948 6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 84 49.730 -18.317 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 84 48.881 -19.796 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 84 50.800 -18.790 7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.245 -19.758 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 84 51.824 -18.356 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 84 47.536 -18.404 5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 84 47.989 -19.934 6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 84 48.852 -18.433 6.923 1.00 0.00 H new ATOM 1312 N LYS A 85 52.732 -22.482 5.440 1.00 0.00 N ATOM 1313 CA LYS A 85 54.012 -23.089 5.880 1.00 0.00 C ATOM 1314 C LYS A 85 54.988 -23.365 4.730 1.00 0.00 C ATOM 1315 O LYS A 85 56.186 -23.155 4.888 1.00 0.00 O ATOM 1316 CB LYS A 85 53.796 -24.297 6.813 1.00 0.00 C ATOM 1317 CG LYS A 85 53.462 -25.624 6.112 1.00 0.00 C ATOM 1318 CD LYS A 85 53.025 -26.725 7.094 1.00 0.00 C ATOM 1319 CE LYS A 85 51.649 -26.370 7.656 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.043 -27.428 8.479 1.00 0.00 N ATOM 0 H LYS A 85 51.902 -23.008 5.714 1.00 0.00 H new ATOM 0 HA LYS A 85 54.513 -22.332 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 85 54.697 -24.438 7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.989 -24.059 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 85 52.667 -25.456 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.335 -25.965 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 85 52.988 -27.689 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 85 53.750 -26.818 7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 85 51.736 -25.464 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 85 50.979 -26.141 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 50.027 -27.238 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 51.171 -28.348 8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.501 -27.447 9.412 1.00 0.00 H new ATOM 1334 N HIS A 86 54.491 -23.751 3.552 1.00 0.00 N ATOM 1335 CA HIS A 86 55.314 -23.968 2.352 1.00 0.00 C ATOM 1336 C HIS A 86 55.975 -22.685 1.806 1.00 0.00 C ATOM 1337 O HIS A 86 57.004 -22.772 1.128 1.00 0.00 O ATOM 1338 CB HIS A 86 54.444 -24.603 1.260 1.00 0.00 C ATOM 1339 CG HIS A 86 54.351 -26.112 1.322 1.00 0.00 C ATOM 1340 ND1 HIS A 86 54.699 -26.981 0.311 1.00 0.00 N ATOM 1341 CD2 HIS A 86 53.917 -26.882 2.370 1.00 0.00 C ATOM 1342 CE1 HIS A 86 54.480 -28.237 0.734 1.00 0.00 C ATOM 1343 NE2 HIS A 86 54.001 -28.230 1.991 1.00 0.00 N ATOM 0 H HIS A 86 53.497 -23.924 3.400 1.00 0.00 H new ATOM 0 HA HIS A 86 56.130 -24.628 2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.439 -24.188 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 86 54.841 -24.317 0.286 1.00 0.00 H new ATOM 0 HD1 HIS A 86 55.062 -26.715 -0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 86 53.570 -26.514 3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 86 54.663 -29.126 0.148 1.00 0.00 H new ATOM 1351 N LYS A 87 55.427 -21.499 2.105 1.00 0.00 N ATOM 1352 CA LYS A 87 56.042 -20.195 1.794 1.00 0.00 C ATOM 1353 C LYS A 87 56.934 -19.727 2.954 1.00 0.00 C ATOM 1354 O LYS A 87 58.047 -19.255 2.737 1.00 0.00 O ATOM 1355 CB LYS A 87 54.956 -19.158 1.455 1.00 0.00 C ATOM 1356 CG LYS A 87 54.315 -19.447 0.084 1.00 0.00 C ATOM 1357 CD LYS A 87 53.247 -18.421 -0.345 1.00 0.00 C ATOM 1358 CE LYS A 87 53.735 -16.963 -0.396 1.00 0.00 C ATOM 1359 NZ LYS A 87 54.793 -16.748 -1.420 1.00 0.00 N ATOM 0 H LYS A 87 54.528 -21.414 2.578 1.00 0.00 H new ATOM 0 HA LYS A 87 56.679 -20.306 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.187 -19.167 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 87 55.392 -18.159 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.099 -19.475 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 87 53.861 -20.438 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 87 52.872 -18.698 -1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 87 52.406 -18.484 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 87 52.890 -16.308 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 87 54.119 -16.678 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 55.216 -15.807 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 55.529 -17.476 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 54.374 -16.811 -2.370 1.00 0.00 H new ATOM 1373 N LEU A 88 56.460 -19.886 4.194 1.00 0.00 N ATOM 1374 CA LEU A 88 57.174 -19.483 5.424 1.00 0.00 C ATOM 1375 C LEU A 88 58.454 -20.287 5.705 1.00 0.00 C ATOM 1376 O LEU A 88 59.383 -19.743 6.302 1.00 0.00 O ATOM 1377 CB LEU A 88 56.209 -19.516 6.623 1.00 0.00 C ATOM 1378 CG LEU A 88 55.480 -18.180 6.858 1.00 0.00 C ATOM 1379 CD1 LEU A 88 54.593 -17.730 5.691 1.00 0.00 C ATOM 1380 CD2 LEU A 88 54.654 -18.290 8.138 1.00 0.00 C ATOM 0 H LEU A 88 55.550 -20.307 4.382 1.00 0.00 H new ATOM 0 HA LEU A 88 57.520 -18.462 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.470 -20.301 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 88 56.767 -19.780 7.522 1.00 0.00 H new ATOM 0 HG LEU A 88 56.248 -17.412 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.118 -16.781 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.204 -17.606 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.826 -18.482 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 88 54.132 -17.350 8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 88 53.926 -19.095 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.313 -18.504 8.979 1.00 0.00 H new ATOM 1704 N ASN B 722 32.568 -7.687 9.439 1.00 0.00 N ATOM 1705 CA ASN B 722 32.388 -7.950 10.876 1.00 0.00 C ATOM 1706 C ASN B 722 32.504 -9.440 11.258 1.00 0.00 C ATOM 1707 O ASN B 722 32.410 -9.790 12.435 1.00 0.00 O ATOM 1708 CB ASN B 722 31.069 -7.312 11.325 1.00 0.00 C ATOM 1709 CG ASN B 722 30.954 -7.175 12.837 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.041 -7.689 13.468 1.00 0.00 O ATOM 1711 ND2 ASN B 722 31.869 -6.467 13.466 1.00 0.00 N ATOM 0 HA ASN B 722 33.213 -7.488 11.418 1.00 0.00 H new ATOM 0 HB2 ASN B 722 30.976 -6.326 10.869 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.238 -7.913 10.957 1.00 0.00 H new ATOM 0 HD21 ASN B 722 31.816 -6.348 14.478 1.00 0.00 H new ATOM 0 HD22 ASN B 722 32.631 -6.038 12.942 1.00 0.00 H new ATOM 1718 N LEU B 723 32.792 -10.317 10.287 1.00 0.00 N ATOM 1719 CA LEU B 723 33.079 -11.741 10.523 1.00 0.00 C ATOM 1720 C LEU B 723 34.385 -11.940 11.327 1.00 0.00 C ATOM 1721 O LEU B 723 34.662 -13.048 11.770 1.00 0.00 O ATOM 1722 CB LEU B 723 33.149 -12.488 9.175 1.00 0.00 C ATOM 1723 CG LEU B 723 31.918 -12.408 8.254 1.00 0.00 C ATOM 1724 CD1 LEU B 723 32.134 -13.331 7.054 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.634 -12.836 8.964 1.00 0.00 C ATOM 0 H LEU B 723 32.833 -10.055 9.302 1.00 0.00 H new ATOM 0 HA LEU B 723 32.268 -12.155 11.123 1.00 0.00 H new ATOM 0 HB2 LEU B 723 34.008 -12.106 8.623 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.346 -13.540 9.383 1.00 0.00 H new ATOM 0 HG LEU B 723 31.806 -11.369 7.945 1.00 0.00 H new ATOM 0 HD11 LEU B 723 31.267 -13.281 6.396 1.00 0.00 H new ATOM 0 HD12 LEU B 723 33.023 -13.016 6.508 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.267 -14.355 7.402 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.794 -12.762 8.273 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.733 -13.866 9.306 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.457 -12.185 9.820 1.00 0.00 H new ATOM 1737 N LEU B 724 35.168 -10.870 11.521 1.00 0.00 N ATOM 1738 CA LEU B 724 36.473 -10.801 12.204 1.00 0.00 C ATOM 1739 C LEU B 724 36.583 -11.724 13.448 1.00 0.00 C ATOM 1740 O LEU B 724 36.025 -11.392 14.499 1.00 0.00 O ATOM 1741 CB LEU B 724 36.800 -9.324 12.536 1.00 0.00 C ATOM 1742 CG LEU B 724 36.576 -8.288 11.405 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.108 -6.923 11.835 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.283 -8.689 10.113 1.00 0.00 C ATOM 0 H LEU B 724 34.884 -9.953 11.177 1.00 0.00 H new ATOM 0 HA LEU B 724 37.224 -11.190 11.516 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.196 -9.027 13.394 1.00 0.00 H new ATOM 0 HB3 LEU B 724 37.843 -9.268 12.846 1.00 0.00 H new ATOM 0 HG LEU B 724 35.503 -8.246 11.220 1.00 0.00 H new ATOM 0 HD11 LEU B 724 36.947 -6.201 11.035 1.00 0.00 H new ATOM 0 HD12 LEU B 724 36.583 -6.594 12.732 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.175 -6.998 12.046 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.099 -7.935 9.348 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.355 -8.768 10.294 1.00 0.00 H new ATOM 0 HD23 LEU B 724 36.901 -9.651 9.773 1.00 0.00 H new ATOM 1756 N PRO B 725 37.265 -12.890 13.363 1.00 0.00 N ATOM 1757 CA PRO B 725 37.358 -13.876 14.452 1.00 0.00 C ATOM 1758 C PRO B 725 38.403 -13.567 15.544 1.00 0.00 C ATOM 1759 O PRO B 725 38.551 -14.351 16.481 1.00 0.00 O ATOM 1760 CB PRO B 725 37.695 -15.189 13.737 1.00 0.00 C ATOM 1761 CG PRO B 725 38.589 -14.730 12.590 1.00 0.00 C ATOM 1762 CD PRO B 725 37.943 -13.408 12.178 1.00 0.00 C ATOM 0 HA PRO B 725 36.422 -13.891 15.011 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.210 -15.888 14.396 1.00 0.00 H new ATOM 0 HB3 PRO B 725 36.799 -15.694 13.375 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.622 -14.595 12.910 1.00 0.00 H new ATOM 0 HG3 PRO B 725 38.600 -15.449 11.771 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.695 -12.703 11.822 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.236 -13.559 11.362 1.00 0.00 H new ATOM 1770 N MET B 726 39.139 -12.455 15.438 1.00 0.00 N ATOM 1771 CA MET B 726 40.202 -12.064 16.377 1.00 0.00 C ATOM 1772 C MET B 726 40.210 -10.548 16.623 1.00 0.00 C ATOM 1773 O MET B 726 39.886 -9.767 15.724 1.00 0.00 O ATOM 1774 CB MET B 726 41.523 -12.581 15.794 1.00 0.00 C ATOM 1775 CG MET B 726 42.758 -12.316 16.648 1.00 0.00 C ATOM 1776 SD MET B 726 44.227 -13.270 16.168 1.00 0.00 S ATOM 1777 CE MET B 726 44.436 -12.768 14.436 1.00 0.00 C ATOM 0 H MET B 726 39.011 -11.785 14.680 1.00 0.00 H new ATOM 0 HA MET B 726 40.037 -12.504 17.360 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.435 -13.656 15.634 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.673 -12.125 14.816 1.00 0.00 H new ATOM 0 HG2 MET B 726 42.998 -11.254 16.597 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.519 -12.539 17.688 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.342 -13.221 14.033 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.575 -13.099 13.855 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.516 -11.682 14.379 1.00 0.00 H new ATOM 1787 N SER B 727 40.568 -10.139 17.841 1.00 0.00 N ATOM 1788 CA SER B 727 40.575 -8.737 18.303 1.00 0.00 C ATOM 1789 C SER B 727 41.824 -7.961 17.852 1.00 0.00 C ATOM 1790 O SER B 727 42.856 -8.591 17.615 1.00 0.00 O ATOM 1791 CB SER B 727 40.531 -8.683 19.842 1.00 0.00 C ATOM 1792 OG SER B 727 39.599 -9.601 20.388 1.00 0.00 O ATOM 0 H SER B 727 40.873 -10.792 18.563 1.00 0.00 H new ATOM 0 HA SER B 727 39.694 -8.273 17.859 1.00 0.00 H new ATOM 0 HB2 SER B 727 41.523 -8.897 20.239 1.00 0.00 H new ATOM 0 HB3 SER B 727 40.272 -7.673 20.160 1.00 0.00 H new ATOM 0 HG SER B 727 39.989 -10.500 20.392 1.00 0.00 H new ATOM 1798 N PRO B 728 41.795 -6.614 17.765 1.00 0.00 N ATOM 1799 CA PRO B 728 42.962 -5.802 17.395 1.00 0.00 C ATOM 1800 C PRO B 728 44.225 -6.080 18.232 1.00 0.00 C ATOM 1801 O PRO B 728 45.324 -6.145 17.686 1.00 0.00 O ATOM 1802 CB PRO B 728 42.517 -4.342 17.547 1.00 0.00 C ATOM 1803 CG PRO B 728 41.001 -4.406 17.381 1.00 0.00 C ATOM 1804 CD PRO B 728 40.643 -5.754 18.004 1.00 0.00 C ATOM 0 HA PRO B 728 43.263 -6.051 16.377 1.00 0.00 H new ATOM 0 HB2 PRO B 728 42.796 -3.938 18.520 1.00 0.00 H new ATOM 0 HB3 PRO B 728 42.976 -3.703 16.792 1.00 0.00 H new ATOM 0 HG2 PRO B 728 40.504 -3.581 17.891 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.707 -4.355 16.333 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.444 -5.652 19.071 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.743 -6.169 17.550 1.00 0.00 H new ATOM 1812 N GLU B 729 44.090 -6.262 19.550 1.00 0.00 N ATOM 1813 CA GLU B 729 45.208 -6.548 20.465 1.00 0.00 C ATOM 1814 C GLU B 729 45.820 -7.937 20.208 1.00 0.00 C ATOM 1815 O GLU B 729 47.038 -8.108 20.229 1.00 0.00 O ATOM 1816 CB GLU B 729 44.740 -6.468 21.929 1.00 0.00 C ATOM 1817 CG GLU B 729 44.256 -5.079 22.385 1.00 0.00 C ATOM 1818 CD GLU B 729 42.885 -4.641 21.819 1.00 0.00 C ATOM 1819 OE1 GLU B 729 42.073 -5.501 21.402 1.00 0.00 O ATOM 1820 OE2 GLU B 729 42.613 -3.415 21.798 1.00 0.00 O ATOM 0 H GLU B 729 43.187 -6.215 20.022 1.00 0.00 H new ATOM 0 HA GLU B 729 45.973 -5.794 20.278 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.931 -7.184 22.075 1.00 0.00 H new ATOM 0 HB3 GLU B 729 45.561 -6.779 22.574 1.00 0.00 H new ATOM 0 HG2 GLU B 729 44.201 -5.070 23.474 1.00 0.00 H new ATOM 0 HG3 GLU B 729 45.003 -4.339 22.097 1.00 0.00 H new ATOM 1827 N GLU B 730 44.975 -8.931 19.924 1.00 0.00 N ATOM 1828 CA GLU B 730 45.397 -10.293 19.580 1.00 0.00 C ATOM 1829 C GLU B 730 46.091 -10.279 18.210 1.00 0.00 C ATOM 1830 O GLU B 730 47.201 -10.785 18.066 1.00 0.00 O ATOM 1831 CB GLU B 730 44.173 -11.220 19.554 1.00 0.00 C ATOM 1832 CG GLU B 730 43.484 -11.368 20.914 1.00 0.00 C ATOM 1833 CD GLU B 730 42.215 -12.232 20.791 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.249 -11.791 20.118 1.00 0.00 O ATOM 1835 OE2 GLU B 730 42.174 -13.335 21.383 1.00 0.00 O ATOM 0 H GLU B 730 43.962 -8.811 19.926 1.00 0.00 H new ATOM 0 HA GLU B 730 46.099 -10.663 20.328 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.453 -10.836 18.832 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.482 -12.205 19.204 1.00 0.00 H new ATOM 0 HG2 GLU B 730 44.171 -11.822 21.628 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.224 -10.384 21.304 1.00 0.00 H new ATOM 1842 N PHE B 731 45.474 -9.627 17.219 1.00 0.00 N ATOM 1843 CA PHE B 731 46.032 -9.425 15.878 1.00 0.00 C ATOM 1844 C PHE B 731 47.407 -8.729 15.928 1.00 0.00 C ATOM 1845 O PHE B 731 48.299 -9.087 15.158 1.00 0.00 O ATOM 1846 CB PHE B 731 45.017 -8.637 15.035 1.00 0.00 C ATOM 1847 CG PHE B 731 45.478 -8.301 13.628 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.168 -7.097 13.383 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.214 -9.181 12.560 1.00 0.00 C ATOM 1850 CE1 PHE B 731 46.601 -6.781 12.082 1.00 0.00 C ATOM 1851 CE2 PHE B 731 45.640 -8.860 11.259 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.339 -7.663 11.020 1.00 0.00 C ATOM 0 H PHE B 731 44.548 -9.214 17.331 1.00 0.00 H new ATOM 0 HA PHE B 731 46.207 -10.394 15.411 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.094 -9.214 14.971 1.00 0.00 H new ATOM 0 HB3 PHE B 731 44.778 -7.709 15.555 1.00 0.00 H new ATOM 0 HD1 PHE B 731 46.365 -6.415 14.196 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.683 -10.104 12.741 1.00 0.00 H new ATOM 0 HE1 PHE B 731 47.135 -5.860 11.900 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.430 -9.534 10.442 1.00 0.00 H new ATOM 0 HZ PHE B 731 46.674 -7.422 10.022 1.00 0.00 H new ATOM 1862 N ASP B 732 47.616 -7.776 16.843 1.00 0.00 N ATOM 1863 CA ASP B 732 48.910 -7.108 17.033 1.00 0.00 C ATOM 1864 C ASP B 732 49.978 -8.083 17.566 1.00 0.00 C ATOM 1865 O ASP B 732 51.082 -8.127 17.027 1.00 0.00 O ATOM 1866 CB ASP B 732 48.742 -5.900 17.965 1.00 0.00 C ATOM 1867 CG ASP B 732 50.056 -5.112 18.107 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.448 -4.414 17.140 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.684 -5.165 19.190 1.00 0.00 O ATOM 0 H ASP B 732 46.889 -7.444 17.476 1.00 0.00 H new ATOM 0 HA ASP B 732 49.260 -6.754 16.063 1.00 0.00 H new ATOM 0 HB2 ASP B 732 47.963 -5.244 17.576 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.412 -6.239 18.947 1.00 0.00 H new ATOM 1874 N GLU B 733 49.656 -8.919 18.563 1.00 0.00 N ATOM 1875 CA GLU B 733 50.570 -9.958 19.076 1.00 0.00 C ATOM 1876 C GLU B 733 50.854 -11.032 18.015 1.00 0.00 C ATOM 1877 O GLU B 733 51.970 -11.549 17.954 1.00 0.00 O ATOM 1878 CB GLU B 733 49.999 -10.564 20.370 1.00 0.00 C ATOM 1879 CG GLU B 733 50.976 -11.479 21.129 1.00 0.00 C ATOM 1880 CD GLU B 733 52.250 -10.765 21.621 1.00 0.00 C ATOM 1881 OE1 GLU B 733 52.210 -9.544 21.901 1.00 0.00 O ATOM 1882 OE2 GLU B 733 53.300 -11.428 21.786 1.00 0.00 O ATOM 0 H GLU B 733 48.754 -8.897 19.039 1.00 0.00 H new ATOM 0 HA GLU B 733 51.529 -9.495 19.311 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.691 -9.754 21.031 1.00 0.00 H new ATOM 0 HB3 GLU B 733 49.103 -11.134 20.125 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.461 -11.912 21.986 1.00 0.00 H new ATOM 0 HG3 GLU B 733 51.263 -12.305 20.479 1.00 0.00 H new ATOM 1889 N VAL B 734 49.898 -11.326 17.127 1.00 0.00 N ATOM 1890 CA VAL B 734 50.141 -12.219 15.991 1.00 0.00 C ATOM 1891 C VAL B 734 51.114 -11.541 15.019 1.00 0.00 C ATOM 1892 O VAL B 734 52.141 -12.123 14.671 1.00 0.00 O ATOM 1893 CB VAL B 734 48.828 -12.609 15.292 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.095 -13.313 13.966 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.944 -13.537 16.133 1.00 0.00 C ATOM 0 H VAL B 734 48.948 -10.958 17.174 1.00 0.00 H new ATOM 0 HA VAL B 734 50.588 -13.145 16.354 1.00 0.00 H new ATOM 0 HB VAL B 734 48.304 -11.666 15.137 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.147 -13.576 13.496 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.654 -12.649 13.307 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.675 -14.219 14.145 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.034 -13.772 15.580 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.486 -14.458 16.350 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.682 -13.042 17.068 1.00 0.00 H new ATOM 1905 N SER B 735 50.834 -10.298 14.614 1.00 0.00 N ATOM 1906 CA SER B 735 51.674 -9.505 13.700 1.00 0.00 C ATOM 1907 C SER B 735 53.111 -9.337 14.209 1.00 0.00 C ATOM 1908 O SER B 735 54.052 -9.395 13.419 1.00 0.00 O ATOM 1909 CB SER B 735 51.058 -8.123 13.453 1.00 0.00 C ATOM 1910 OG SER B 735 49.779 -8.240 12.855 1.00 0.00 O ATOM 0 H SER B 735 49.997 -9.800 14.918 1.00 0.00 H new ATOM 0 HA SER B 735 51.715 -10.064 12.765 1.00 0.00 H new ATOM 0 HB2 SER B 735 50.975 -7.583 14.396 1.00 0.00 H new ATOM 0 HB3 SER B 735 51.714 -7.538 12.808 1.00 0.00 H new ATOM 0 HG SER B 735 49.129 -8.533 13.527 1.00 0.00 H new ATOM 1916 N ARG B 736 53.291 -9.181 15.528 1.00 0.00 N ATOM 1917 CA ARG B 736 54.587 -9.073 16.223 1.00 0.00 C ATOM 1918 C ARG B 736 55.514 -10.254 15.904 1.00 0.00 C ATOM 1919 O ARG B 736 56.714 -10.059 15.719 1.00 0.00 O ATOM 1920 CB ARG B 736 54.285 -8.978 17.729 1.00 0.00 C ATOM 1921 CG ARG B 736 55.471 -8.673 18.649 1.00 0.00 C ATOM 1922 CD ARG B 736 54.955 -8.747 20.093 1.00 0.00 C ATOM 1923 NE ARG B 736 55.951 -8.301 21.083 1.00 0.00 N ATOM 1924 CZ ARG B 736 55.724 -8.161 22.378 1.00 0.00 C ATOM 1925 NH1 ARG B 736 54.593 -8.498 22.925 1.00 0.00 N ATOM 1926 NH2 ARG B 736 56.641 -7.671 23.162 1.00 0.00 N ATOM 0 H ARG B 736 52.502 -9.124 16.172 1.00 0.00 H new ATOM 0 HA ARG B 736 55.122 -8.186 15.883 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.531 -8.205 17.877 1.00 0.00 H new ATOM 0 HB3 ARG B 736 53.841 -9.921 18.047 1.00 0.00 H new ATOM 0 HG2 ARG B 736 56.276 -9.391 18.491 1.00 0.00 H new ATOM 0 HG3 ARG B 736 55.879 -7.685 18.436 1.00 0.00 H new ATOM 0 HD2 ARG B 736 54.059 -8.133 20.185 1.00 0.00 H new ATOM 0 HD3 ARG B 736 54.663 -9.773 20.317 1.00 0.00 H new ATOM 0 HE ARG B 736 56.888 -8.083 20.743 1.00 0.00 H new ATOM 0 HH11 ARG B 736 53.844 -8.885 22.351 1.00 0.00 H new ATOM 0 HH12 ARG B 736 54.455 -8.375 23.928 1.00 0.00 H new ATOM 0 HH21 ARG B 736 57.544 -7.391 22.778 1.00 0.00 H new ATOM 0 HH22 ARG B 736 56.456 -7.567 24.160 1.00 0.00 H new ATOM 1940 N ILE B 737 54.951 -11.465 15.823 1.00 0.00 N ATOM 1941 CA ILE B 737 55.683 -12.705 15.498 1.00 0.00 C ATOM 1942 C ILE B 737 55.715 -12.982 13.984 1.00 0.00 C ATOM 1943 O ILE B 737 56.770 -13.306 13.439 1.00 0.00 O ATOM 1944 CB ILE B 737 55.068 -13.913 16.243 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.980 -13.628 17.761 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.890 -15.193 15.974 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.489 -14.815 18.592 1.00 0.00 C ATOM 0 H ILE B 737 53.956 -11.619 15.984 1.00 0.00 H new ATOM 0 HA ILE B 737 56.711 -12.563 15.830 1.00 0.00 H new ATOM 0 HB ILE B 737 54.058 -14.071 15.866 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.964 -13.328 18.121 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.311 -12.783 17.923 1.00 0.00 H new ATOM 0 HG21 ILE B 737 55.442 -16.032 16.507 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.896 -15.404 14.905 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.913 -15.048 16.321 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.456 -14.533 19.644 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.491 -15.102 18.262 1.00 0.00 H new ATOM 0 HD13 ILE B 737 55.170 -15.656 18.463 1.00 0.00 H new ATOM 1959 N VAL B 738 54.569 -12.880 13.297 1.00 0.00 N ATOM 1960 CA VAL B 738 54.440 -13.165 11.851 1.00 0.00 C ATOM 1961 C VAL B 738 55.270 -12.203 10.985 1.00 0.00 C ATOM 1962 O VAL B 738 55.794 -12.594 9.942 1.00 0.00 O ATOM 1963 CB VAL B 738 52.957 -13.188 11.428 1.00 0.00 C ATOM 1964 CG1 VAL B 738 52.785 -13.475 9.933 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.208 -14.307 12.165 1.00 0.00 C ATOM 0 H VAL B 738 53.691 -12.594 13.730 1.00 0.00 H new ATOM 0 HA VAL B 738 54.854 -14.158 11.678 1.00 0.00 H new ATOM 0 HB VAL B 738 52.562 -12.202 11.670 1.00 0.00 H new ATOM 0 HG11 VAL B 738 51.724 -13.481 9.683 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.290 -12.702 9.354 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.219 -14.447 9.697 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.163 -14.310 11.856 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.661 -15.269 11.923 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.268 -14.138 13.240 1.00 0.00 H new ATOM 1975 N GLY B 739 55.412 -10.951 11.428 1.00 0.00 N ATOM 1976 CA GLY B 739 56.202 -9.893 10.777 1.00 0.00 C ATOM 1977 C GLY B 739 55.875 -9.624 9.300 1.00 0.00 C ATOM 1978 O GLY B 739 56.749 -9.188 8.549 1.00 0.00 O ATOM 0 H GLY B 739 54.962 -10.630 12.285 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.062 -8.967 11.335 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.257 -10.155 10.854 1.00 0.00 H new ATOM 1982 N SER B 740 54.634 -9.896 8.870 1.00 0.00 N ATOM 1983 CA SER B 740 54.136 -9.747 7.485 1.00 0.00 C ATOM 1984 C SER B 740 54.978 -10.464 6.402 1.00 0.00 C ATOM 1985 O SER B 740 54.955 -10.067 5.238 1.00 0.00 O ATOM 1986 CB SER B 740 53.908 -8.264 7.142 1.00 0.00 C ATOM 1987 OG SER B 740 53.030 -7.653 8.078 1.00 0.00 O ATOM 0 H SER B 740 53.913 -10.242 9.504 1.00 0.00 H new ATOM 0 HA SER B 740 53.179 -10.269 7.467 1.00 0.00 H new ATOM 0 HB2 SER B 740 54.862 -7.738 7.136 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.491 -8.179 6.138 1.00 0.00 H new ATOM 0 HG SER B 740 52.902 -6.711 7.840 1.00 0.00 H new ATOM 1993 N VAL B 741 55.710 -11.520 6.789 1.00 0.00 N ATOM 1994 CA VAL B 741 56.628 -12.374 5.993 1.00 0.00 C ATOM 1995 C VAL B 741 56.423 -12.388 4.464 1.00 0.00 C ATOM 1996 O VAL B 741 57.301 -11.947 3.722 1.00 0.00 O ATOM 1997 CB VAL B 741 56.665 -13.792 6.615 1.00 0.00 C ATOM 1998 CG1 VAL B 741 55.282 -14.424 6.861 1.00 0.00 C ATOM 1999 CG2 VAL B 741 57.509 -14.775 5.796 1.00 0.00 C ATOM 0 H VAL B 741 55.676 -11.834 7.759 1.00 0.00 H new ATOM 0 HA VAL B 741 57.608 -11.903 6.065 1.00 0.00 H new ATOM 0 HB VAL B 741 57.129 -13.622 7.586 1.00 0.00 H new ATOM 0 HG11 VAL B 741 55.407 -15.415 7.298 1.00 0.00 H new ATOM 0 HG12 VAL B 741 54.711 -13.796 7.545 1.00 0.00 H new ATOM 0 HG13 VAL B 741 54.748 -14.510 5.915 1.00 0.00 H new ATOM 0 HG21 VAL B 741 57.499 -15.752 6.278 1.00 0.00 H new ATOM 0 HG22 VAL B 741 57.094 -14.862 4.792 1.00 0.00 H new ATOM 0 HG23 VAL B 741 58.534 -14.411 5.735 1.00 0.00 H new ATOM 2009 N GLU B 742 55.272 -12.869 3.993 1.00 0.00 N ATOM 2010 CA GLU B 742 54.847 -12.972 2.576 1.00 0.00 C ATOM 2011 C GLU B 742 53.329 -12.698 2.469 1.00 0.00 C ATOM 2012 O GLU B 742 52.667 -13.048 1.495 1.00 0.00 O ATOM 2013 CB GLU B 742 55.157 -14.402 2.076 1.00 0.00 C ATOM 2014 CG GLU B 742 56.605 -14.626 1.624 1.00 0.00 C ATOM 2015 CD GLU B 742 56.862 -14.002 0.238 1.00 0.00 C ATOM 2016 OE1 GLU B 742 56.339 -14.548 -0.765 1.00 0.00 O ATOM 2017 OE2 GLU B 742 57.582 -12.980 0.138 1.00 0.00 O ATOM 0 H GLU B 742 54.555 -13.224 4.626 1.00 0.00 H new ATOM 0 HA GLU B 742 55.380 -12.241 1.969 1.00 0.00 H new ATOM 0 HB2 GLU B 742 54.927 -15.108 2.874 1.00 0.00 H new ATOM 0 HB3 GLU B 742 54.492 -14.633 1.244 1.00 0.00 H new ATOM 0 HG2 GLU B 742 57.288 -14.190 2.354 1.00 0.00 H new ATOM 0 HG3 GLU B 742 56.816 -15.695 1.589 1.00 0.00 H new ATOM 2024 N PHE B 743 52.776 -12.121 3.534 1.00 0.00 N ATOM 2025 CA PHE B 743 51.363 -11.914 3.832 1.00 0.00 C ATOM 2026 C PHE B 743 50.438 -11.458 2.689 1.00 0.00 C ATOM 2027 O PHE B 743 49.388 -12.062 2.464 1.00 0.00 O ATOM 2028 CB PHE B 743 51.309 -10.999 5.056 1.00 0.00 C ATOM 2029 CG PHE B 743 50.132 -11.214 5.973 1.00 0.00 C ATOM 2030 CD1 PHE B 743 49.903 -12.478 6.563 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.317 -10.116 6.309 1.00 0.00 C ATOM 2032 CE1 PHE B 743 48.903 -12.609 7.534 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.282 -10.269 7.241 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.083 -11.512 7.857 1.00 0.00 C ATOM 0 H PHE B 743 53.364 -11.752 4.281 1.00 0.00 H new ATOM 0 HA PHE B 743 50.929 -12.896 4.023 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.225 -11.135 5.631 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.297 -9.964 4.714 1.00 0.00 H new ATOM 0 HD1 PHE B 743 50.493 -13.333 6.268 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.490 -9.155 5.848 1.00 0.00 H new ATOM 0 HE1 PHE B 743 48.761 -13.554 8.036 1.00 0.00 H new ATOM 0 HE2 PHE B 743 47.641 -9.434 7.483 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.294 -11.629 8.585 1.00 0.00 H new ATOM 2044 N ASP B 744 50.834 -10.442 1.919 1.00 0.00 N ATOM 2045 CA ASP B 744 50.084 -9.938 0.753 1.00 0.00 C ATOM 2046 C ASP B 744 50.098 -10.898 -0.463 1.00 0.00 C ATOM 2047 O ASP B 744 49.511 -10.602 -1.506 1.00 0.00 O ATOM 2048 CB ASP B 744 50.600 -8.538 0.383 1.00 0.00 C ATOM 2049 CG ASP B 744 52.043 -8.561 -0.150 1.00 0.00 C ATOM 2050 OD1 ASP B 744 52.981 -8.742 0.664 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.244 -8.384 -1.375 1.00 0.00 O ATOM 0 H ASP B 744 51.702 -9.933 2.087 1.00 0.00 H new ATOM 0 HA ASP B 744 49.035 -9.876 1.042 1.00 0.00 H new ATOM 0 HB2 ASP B 744 49.945 -8.101 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP B 744 50.551 -7.893 1.260 1.00 0.00 H new ATOM 2056 N SER B 745 50.759 -12.050 -0.320 1.00 0.00 N ATOM 2057 CA SER B 745 50.924 -13.127 -1.302 1.00 0.00 C ATOM 2058 C SER B 745 50.478 -14.497 -0.744 1.00 0.00 C ATOM 2059 O SER B 745 50.625 -15.514 -1.420 1.00 0.00 O ATOM 2060 CB SER B 745 52.387 -13.140 -1.775 1.00 0.00 C ATOM 2061 OG SER B 745 52.552 -13.766 -3.041 1.00 0.00 O ATOM 0 H SER B 745 51.231 -12.272 0.556 1.00 0.00 H new ATOM 0 HA SER B 745 50.274 -12.937 -2.156 1.00 0.00 H new ATOM 0 HB2 SER B 745 52.755 -12.116 -1.831 1.00 0.00 H new ATOM 0 HB3 SER B 745 52.998 -13.658 -1.036 1.00 0.00 H new ATOM 0 HG SER B 745 52.017 -14.586 -3.073 1.00 0.00 H new ATOM 2067 N MET B 746 49.882 -14.570 0.462 1.00 0.00 N ATOM 2068 CA MET B 746 49.347 -15.836 1.016 1.00 0.00 C ATOM 2069 C MET B 746 48.272 -16.446 0.099 1.00 0.00 C ATOM 2070 O MET B 746 48.157 -17.666 0.009 1.00 0.00 O ATOM 2071 CB MET B 746 48.753 -15.645 2.422 1.00 0.00 C ATOM 2072 CG MET B 746 49.748 -15.415 3.574 1.00 0.00 C ATOM 2073 SD MET B 746 51.537 -15.494 3.242 1.00 0.00 S ATOM 2074 CE MET B 746 51.848 -17.264 3.051 1.00 0.00 C ATOM 0 H MET B 746 49.757 -13.765 1.076 1.00 0.00 H new ATOM 0 HA MET B 746 50.195 -16.518 1.081 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.070 -14.796 2.389 1.00 0.00 H new ATOM 0 HB3 MET B 746 48.156 -16.525 2.660 1.00 0.00 H new ATOM 0 HG2 MET B 746 49.537 -14.433 3.997 1.00 0.00 H new ATOM 0 HG3 MET B 746 49.527 -16.149 4.348 1.00 0.00 H new ATOM 0 HE1 MET B 746 52.569 -17.422 2.249 1.00 0.00 H new ATOM 0 HE2 MET B 746 52.248 -17.666 3.982 1.00 0.00 H new ATOM 0 HE3 MET B 746 50.916 -17.773 2.807 1.00 0.00 H new