USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 98 TYR OH : rot 98:sc= -4.15! USER MOD Set 1.2: A 100 MET CE :methyl -141:sc= -0.931 (180deg=-4.67!) USER MOD Set 2.1: A 85 SER OG : rot -87:sc= 1.17 USER MOD Set 2.2: A 87 ASN : amide:sc= -0.783 K(o=0.39,f=-5.6!) USER MOD Set 3.1: A 42 TYR OH : rot -41:sc= -2.94! USER MOD Set 3.2: A 50 THR OG1 : rot -69:sc= -0.827 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0285 (180deg=-0.204) USER MOD Single : A 3 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.51) USER MOD Single : A 8 SER OG : rot -80:sc= -5.85! USER MOD Single : A 13 ASN : amide:sc= -0.538 K(o=-0.54,f=0) USER MOD Single : A 14 THR OG1 : rot 93:sc= 0.376 USER MOD Single : A 17 LYS NZ :NH3+ 152:sc=-0.00635 (180deg=-0.374) USER MOD Single : A 18 MET CE :methyl -157:sc= -4.15! (180deg=-5.43!) USER MOD Single : A 22 GLN : amide:sc= -4.37 K(o=-4.4,f=-6.8!) USER MOD Single : A 32 GLN : amide:sc= -2.51 X(o=-2.5,f=-2!) USER MOD Single : A 38 ASN : amide:sc= -3.53! C(o=-3.5!,f=-9!) USER MOD Single : A 41 GLN : amide:sc= -4.77! C(o=-4.8!,f=-4!) USER MOD Single : A 43 ASN : amide:sc= -7.5! C(o=-7.5!,f=-16!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0256 X(o=-0.026,f=0.076) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 100:sc= 0.0752 USER MOD Single : A 72 SER OG : rot 97:sc= -0.338 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= -0.075 (180deg=-0.422) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.53! C(o=-3.5!,f=-4.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 171:sc= 1.05 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.017) USER MOD Single : A 101 THR OG1 : rot -66:sc= 0.18 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -129:sc= -0.338 (180deg=-2.29!) USER MOD Single : A 108 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-4.5!) USER MOD Single : A 109 MET CE :methyl 176:sc= -0.588 (180deg=-0.61) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= -1.56 (180deg=-1.62) USER MOD Single : A 114 SER OG : rot -24:sc= 1.24 USER MOD Single : A 117 SER OG : rot -170:sc= -3.33! USER MOD Single : A 118 TYR OH : rot -150:sc= -3.32! USER MOD Single : A 123 LYS NZ :NH3+ 150:sc= -0.0685 (180deg=-0.904) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.637 10.163 12.793 1.00 0.00 N ATOM 2 CA MET A 1 15.285 9.597 13.058 1.00 0.00 C ATOM 3 C MET A 1 14.653 9.144 11.738 1.00 0.00 C ATOM 4 O MET A 1 13.784 8.296 11.715 1.00 0.00 O ATOM 5 CB MET A 1 14.402 10.665 13.706 1.00 0.00 C ATOM 6 CG MET A 1 13.757 10.096 14.971 1.00 0.00 C ATOM 7 SD MET A 1 14.849 10.382 16.386 1.00 0.00 S ATOM 8 CE MET A 1 13.592 10.231 17.679 1.00 0.00 C ATOM 0 H1 MET A 1 17.114 10.361 13.696 1.00 0.00 H new ATOM 0 H2 MET A 1 17.199 9.479 12.247 1.00 0.00 H new ATOM 0 H3 MET A 1 16.544 11.045 12.250 1.00 0.00 H new ATOM 0 HA MET A 1 15.374 8.743 13.730 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.998 11.544 13.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.631 10.988 13.006 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.790 10.568 15.143 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.573 9.028 14.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.055 10.375 18.655 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.822 10.987 17.528 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.141 9.240 17.634 1.00 0.00 H new ATOM 20 N GLU A 2 15.081 9.704 10.638 1.00 0.00 N ATOM 21 CA GLU A 2 14.501 9.302 9.325 1.00 0.00 C ATOM 22 C GLU A 2 13.022 9.694 9.280 1.00 0.00 C ATOM 23 O GLU A 2 12.496 10.269 10.211 1.00 0.00 O ATOM 24 CB GLU A 2 14.633 7.787 9.152 1.00 0.00 C ATOM 25 CG GLU A 2 15.558 7.484 7.972 1.00 0.00 C ATOM 26 CD GLU A 2 15.348 6.039 7.520 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.431 5.809 6.747 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.105 5.187 7.954 1.00 0.00 O ATOM 0 H GLU A 2 15.805 10.421 10.592 1.00 0.00 H new ATOM 0 HA GLU A 2 15.036 9.807 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.031 7.340 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.652 7.343 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.351 8.168 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.597 7.639 8.261 1.00 0.00 H new ATOM 35 N HIS A 3 12.346 9.386 8.205 1.00 0.00 N ATOM 36 CA HIS A 3 10.902 9.742 8.107 1.00 0.00 C ATOM 37 C HIS A 3 10.208 8.822 7.098 1.00 0.00 C ATOM 38 O HIS A 3 9.221 9.187 6.491 1.00 0.00 O ATOM 39 CB HIS A 3 10.764 11.196 7.648 1.00 0.00 C ATOM 40 CG HIS A 3 11.579 11.414 6.401 1.00 0.00 C ATOM 41 ND1 HIS A 3 12.281 12.588 6.176 1.00 0.00 N ATOM 42 CD2 HIS A 3 11.812 10.621 5.304 1.00 0.00 C ATOM 43 CE1 HIS A 3 12.897 12.470 4.984 1.00 0.00 C ATOM 44 NE2 HIS A 3 12.644 11.290 4.411 1.00 0.00 N ATOM 0 H HIS A 3 12.731 8.904 7.393 1.00 0.00 H new ATOM 0 HA HIS A 3 10.436 9.621 9.085 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.717 11.429 7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.100 11.870 8.436 1.00 0.00 H new ATOM 0 HD2 HIS A 3 11.411 9.629 5.157 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.519 13.236 4.545 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.987 10.952 3.512 1.00 0.00 H new ATOM 52 N VAL A 4 10.711 7.631 6.912 1.00 0.00 N ATOM 53 CA VAL A 4 10.072 6.696 5.943 1.00 0.00 C ATOM 54 C VAL A 4 9.033 5.838 6.682 1.00 0.00 C ATOM 55 O VAL A 4 8.808 6.007 7.866 1.00 0.00 O ATOM 56 CB VAL A 4 11.165 5.815 5.289 1.00 0.00 C ATOM 57 CG1 VAL A 4 11.555 4.644 6.205 1.00 0.00 C ATOM 58 CG2 VAL A 4 10.655 5.260 3.953 1.00 0.00 C ATOM 0 H VAL A 4 11.536 7.266 7.389 1.00 0.00 H new ATOM 0 HA VAL A 4 9.563 7.251 5.155 1.00 0.00 H new ATOM 0 HB VAL A 4 12.045 6.437 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.324 4.043 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.939 5.032 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.679 4.025 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.428 4.641 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.763 4.658 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.411 6.086 3.285 1.00 0.00 H new ATOM 68 N ALA A 5 8.407 4.926 5.995 1.00 0.00 N ATOM 69 CA ALA A 5 7.389 4.050 6.640 1.00 0.00 C ATOM 70 C ALA A 5 8.034 3.293 7.807 1.00 0.00 C ATOM 71 O ALA A 5 9.084 3.671 8.287 1.00 0.00 O ATOM 72 CB ALA A 5 6.891 3.045 5.601 1.00 0.00 C ATOM 0 H ALA A 5 8.558 4.747 5.002 1.00 0.00 H new ATOM 0 HA ALA A 5 6.560 4.650 7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.144 2.393 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.445 3.580 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.728 2.445 5.245 1.00 0.00 H new ATOM 78 N PHE A 6 7.411 2.219 8.258 1.00 0.00 N ATOM 79 CA PHE A 6 7.983 1.399 9.400 1.00 0.00 C ATOM 80 C PHE A 6 9.502 1.316 9.242 1.00 0.00 C ATOM 81 O PHE A 6 10.264 1.876 10.005 1.00 0.00 O ATOM 82 CB PHE A 6 7.451 -0.052 9.383 1.00 0.00 C ATOM 83 CG PHE A 6 6.158 -0.174 8.609 1.00 0.00 C ATOM 84 CD1 PHE A 6 4.949 0.075 9.259 1.00 0.00 C ATOM 85 CD2 PHE A 6 6.165 -0.544 7.250 1.00 0.00 C ATOM 86 CE1 PHE A 6 3.747 -0.045 8.564 1.00 0.00 C ATOM 87 CE2 PHE A 6 4.956 -0.661 6.554 1.00 0.00 C ATOM 88 CZ PHE A 6 3.751 -0.413 7.213 1.00 0.00 C ATOM 0 H PHE A 6 6.528 1.871 7.886 1.00 0.00 H new ATOM 0 HA PHE A 6 7.691 1.885 10.331 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.201 -0.708 8.941 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.294 -0.392 10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.945 0.361 10.301 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.101 -0.737 6.746 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.811 0.146 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.956 -0.942 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.817 -0.505 6.678 1.00 0.00 H new ATOM 98 N GLY A 7 9.916 0.639 8.219 1.00 0.00 N ATOM 99 CA GLY A 7 11.359 0.502 7.912 1.00 0.00 C ATOM 100 C GLY A 7 11.474 0.381 6.395 1.00 0.00 C ATOM 101 O GLY A 7 12.377 -0.238 5.871 1.00 0.00 O ATOM 0 H GLY A 7 9.298 0.161 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.916 1.366 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.778 -0.376 8.403 1.00 0.00 H new ATOM 105 N SER A 8 10.533 0.962 5.691 1.00 0.00 N ATOM 106 CA SER A 8 10.539 0.882 4.211 1.00 0.00 C ATOM 107 C SER A 8 11.757 1.630 3.657 1.00 0.00 C ATOM 108 O SER A 8 11.996 2.777 3.978 1.00 0.00 O ATOM 109 CB SER A 8 9.232 1.471 3.680 1.00 0.00 C ATOM 110 OG SER A 8 8.176 1.047 4.524 1.00 0.00 O ATOM 0 H SER A 8 9.757 1.491 6.089 1.00 0.00 H new ATOM 0 HA SER A 8 10.611 -0.156 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.287 2.559 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.055 1.141 2.656 1.00 0.00 H new ATOM 0 HG SER A 8 7.920 0.130 4.292 1.00 0.00 H new ATOM 116 N GLU A 9 12.542 0.968 2.848 1.00 0.00 N ATOM 117 CA GLU A 9 13.771 1.601 2.279 1.00 0.00 C ATOM 118 C GLU A 9 13.409 2.670 1.251 1.00 0.00 C ATOM 119 O GLU A 9 13.421 2.403 0.066 1.00 0.00 O ATOM 120 CB GLU A 9 14.594 0.522 1.575 1.00 0.00 C ATOM 121 CG GLU A 9 15.748 0.081 2.478 1.00 0.00 C ATOM 122 CD GLU A 9 17.066 0.636 1.934 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.023 1.645 1.249 1.00 0.00 O ATOM 124 OE2 GLU A 9 18.095 0.043 2.211 1.00 0.00 O ATOM 0 H GLU A 9 12.383 0.005 2.553 1.00 0.00 H new ATOM 0 HA GLU A 9 14.332 2.063 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.961 -0.332 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.984 0.906 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.584 0.437 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.791 -1.007 2.524 1.00 0.00 H new ATOM 131 N ASP A 10 13.104 3.880 1.687 1.00 0.00 N ATOM 132 CA ASP A 10 12.746 4.986 0.729 1.00 0.00 C ATOM 133 C ASP A 10 11.922 4.415 -0.427 1.00 0.00 C ATOM 134 O ASP A 10 12.438 4.139 -1.491 1.00 0.00 O ATOM 135 CB ASP A 10 14.023 5.630 0.181 1.00 0.00 C ATOM 136 CG ASP A 10 14.958 4.547 -0.361 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.642 3.929 0.437 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.976 4.357 -1.567 1.00 0.00 O ATOM 0 H ASP A 10 13.088 4.148 2.671 1.00 0.00 H new ATOM 0 HA ASP A 10 12.160 5.741 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.774 6.337 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.523 6.195 0.968 1.00 0.00 H new ATOM 143 N ILE A 11 10.662 4.195 -0.209 1.00 0.00 N ATOM 144 CA ILE A 11 9.830 3.597 -1.273 1.00 0.00 C ATOM 145 C ILE A 11 9.435 4.639 -2.294 1.00 0.00 C ATOM 146 O ILE A 11 9.682 4.474 -3.455 1.00 0.00 O ATOM 147 CB ILE A 11 8.568 3.003 -0.681 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.836 2.380 0.688 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.031 1.926 -1.610 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.940 1.333 0.562 1.00 0.00 C ATOM 0 H ILE A 11 10.174 4.404 0.662 1.00 0.00 H new ATOM 0 HA ILE A 11 10.419 2.818 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 11 7.841 3.807 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.131 3.151 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.926 1.921 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.123 1.498 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.805 2.364 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.779 1.143 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.132 0.888 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.627 0.556 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.850 1.806 0.194 1.00 0.00 H new ATOM 162 N GLU A 12 8.788 5.692 -1.879 1.00 0.00 N ATOM 163 CA GLU A 12 8.328 6.733 -2.848 1.00 0.00 C ATOM 164 C GLU A 12 9.374 6.990 -3.948 1.00 0.00 C ATOM 165 O GLU A 12 9.036 7.321 -5.067 1.00 0.00 O ATOM 166 CB GLU A 12 8.039 8.036 -2.101 1.00 0.00 C ATOM 167 CG GLU A 12 7.254 8.985 -3.008 1.00 0.00 C ATOM 168 CD GLU A 12 7.392 10.418 -2.491 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.319 10.602 -1.287 1.00 0.00 O ATOM 170 OE2 GLU A 12 7.569 11.308 -3.306 1.00 0.00 O ATOM 0 H GLU A 12 8.555 5.880 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 12 7.421 6.366 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.470 7.829 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.973 8.504 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.626 8.919 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.203 8.696 -3.032 1.00 0.00 H new ATOM 177 N ASN A 13 10.633 6.816 -3.652 1.00 0.00 N ATOM 178 CA ASN A 13 11.673 7.026 -4.700 1.00 0.00 C ATOM 179 C ASN A 13 11.914 5.692 -5.409 1.00 0.00 C ATOM 180 O ASN A 13 12.068 5.627 -6.612 1.00 0.00 O ATOM 181 CB ASN A 13 12.973 7.507 -4.051 1.00 0.00 C ATOM 182 CG ASN A 13 12.669 8.636 -3.066 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.653 9.794 -3.435 1.00 0.00 O ATOM 184 ND2 ASN A 13 12.426 8.346 -1.817 1.00 0.00 N ATOM 0 H ASN A 13 10.986 6.539 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 13 11.340 7.779 -5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.460 6.681 -3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.666 7.856 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.223 9.091 -1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.439 7.374 -1.507 1.00 0.00 H new ATOM 191 N THR A 14 11.932 4.625 -4.659 1.00 0.00 N ATOM 192 CA THR A 14 12.143 3.274 -5.253 1.00 0.00 C ATOM 193 C THR A 14 10.917 2.880 -6.091 1.00 0.00 C ATOM 194 O THR A 14 10.941 1.900 -6.800 1.00 0.00 O ATOM 195 CB THR A 14 12.332 2.259 -4.106 1.00 0.00 C ATOM 196 OG1 THR A 14 13.637 2.402 -3.563 1.00 0.00 O ATOM 197 CG2 THR A 14 12.148 0.821 -4.615 1.00 0.00 C ATOM 0 H THR A 14 11.808 4.632 -3.647 1.00 0.00 H new ATOM 0 HA THR A 14 13.023 3.283 -5.896 1.00 0.00 H new ATOM 0 HB THR A 14 11.583 2.456 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.609 3.021 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.286 0.122 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.144 0.706 -5.024 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.883 0.613 -5.393 1.00 0.00 H new ATOM 205 N LEU A 15 9.853 3.622 -6.010 1.00 0.00 N ATOM 206 CA LEU A 15 8.642 3.271 -6.789 1.00 0.00 C ATOM 207 C LEU A 15 8.635 4.085 -8.080 1.00 0.00 C ATOM 208 O LEU A 15 8.098 3.672 -9.087 1.00 0.00 O ATOM 209 CB LEU A 15 7.400 3.590 -5.953 1.00 0.00 C ATOM 210 CG LEU A 15 7.505 2.907 -4.590 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.610 3.628 -3.582 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.058 1.450 -4.708 1.00 0.00 C ATOM 0 H LEU A 15 9.771 4.460 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 15 8.641 2.209 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.304 4.668 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.504 3.251 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 15 8.540 2.945 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.687 3.138 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.928 4.667 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.576 3.594 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.134 0.966 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.024 1.413 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.696 0.930 -5.422 1.00 0.00 H new ATOM 224 N ALA A 16 9.239 5.239 -8.052 1.00 0.00 N ATOM 225 CA ALA A 16 9.283 6.088 -9.271 1.00 0.00 C ATOM 226 C ALA A 16 10.557 5.779 -10.069 1.00 0.00 C ATOM 227 O ALA A 16 10.821 6.392 -11.084 1.00 0.00 O ATOM 228 CB ALA A 16 9.284 7.560 -8.858 1.00 0.00 C ATOM 0 H ALA A 16 9.705 5.631 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 16 8.411 5.881 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.316 8.188 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.379 7.780 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.158 7.764 -8.239 1.00 0.00 H new ATOM 234 N LYS A 17 11.356 4.841 -9.621 1.00 0.00 N ATOM 235 CA LYS A 17 12.604 4.520 -10.366 1.00 0.00 C ATOM 236 C LYS A 17 12.837 3.004 -10.379 1.00 0.00 C ATOM 237 O LYS A 17 13.107 2.422 -11.412 1.00 0.00 O ATOM 238 CB LYS A 17 13.789 5.208 -9.686 1.00 0.00 C ATOM 239 CG LYS A 17 14.943 5.344 -10.683 1.00 0.00 C ATOM 240 CD LYS A 17 15.339 6.817 -10.812 1.00 0.00 C ATOM 241 CE LYS A 17 16.849 6.963 -10.610 1.00 0.00 C ATOM 242 NZ LYS A 17 17.569 6.161 -11.639 1.00 0.00 N ATOM 0 H LYS A 17 11.196 4.290 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 17 12.507 4.874 -11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.492 6.191 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.110 4.630 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.797 4.755 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.646 4.950 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.055 7.196 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.804 7.414 -10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.137 8.012 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.127 6.626 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.497 6.591 -11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.701 5.190 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.012 6.142 -12.517 1.00 0.00 H new ATOM 256 N MET A 18 12.752 2.359 -9.245 1.00 0.00 N ATOM 257 CA MET A 18 12.992 0.888 -9.210 1.00 0.00 C ATOM 258 C MET A 18 14.405 0.619 -9.728 1.00 0.00 C ATOM 259 O MET A 18 15.045 1.497 -10.273 1.00 0.00 O ATOM 260 CB MET A 18 11.974 0.171 -10.100 1.00 0.00 C ATOM 261 CG MET A 18 10.556 0.466 -9.609 1.00 0.00 C ATOM 262 SD MET A 18 10.222 -0.489 -8.108 1.00 0.00 S ATOM 263 CE MET A 18 8.474 -0.057 -7.943 1.00 0.00 C ATOM 0 H MET A 18 12.528 2.786 -8.346 1.00 0.00 H new ATOM 0 HA MET A 18 12.886 0.518 -8.190 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.086 0.499 -11.133 1.00 0.00 H new ATOM 0 HB3 MET A 18 12.157 -0.903 -10.085 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.445 1.531 -9.407 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.832 0.211 -10.383 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.164 -0.185 -6.906 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.326 0.981 -8.241 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.877 -0.707 -8.583 1.00 0.00 H new ATOM 273 N ASP A 19 14.911 -0.578 -9.569 1.00 0.00 N ATOM 274 CA ASP A 19 16.297 -0.860 -10.072 1.00 0.00 C ATOM 275 C ASP A 19 16.778 -2.243 -9.620 1.00 0.00 C ATOM 276 O ASP A 19 17.141 -3.073 -10.429 1.00 0.00 O ATOM 277 CB ASP A 19 17.263 0.202 -9.531 1.00 0.00 C ATOM 278 CG ASP A 19 17.968 0.894 -10.698 1.00 0.00 C ATOM 279 OD1 ASP A 19 17.277 1.423 -11.553 1.00 0.00 O ATOM 280 OD2 ASP A 19 19.187 0.883 -10.718 1.00 0.00 O ATOM 0 H ASP A 19 14.437 -1.362 -9.121 1.00 0.00 H new ATOM 0 HA ASP A 19 16.275 -0.835 -11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.718 0.935 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.997 -0.261 -8.872 1.00 0.00 H new ATOM 285 N ASP A 20 16.803 -2.492 -8.338 1.00 0.00 N ATOM 286 CA ASP A 20 17.277 -3.816 -7.841 1.00 0.00 C ATOM 287 C ASP A 20 16.100 -4.782 -7.803 1.00 0.00 C ATOM 288 O ASP A 20 15.675 -5.227 -6.756 1.00 0.00 O ATOM 289 CB ASP A 20 17.860 -3.662 -6.434 1.00 0.00 C ATOM 290 CG ASP A 20 19.052 -2.702 -6.475 1.00 0.00 C ATOM 291 OD1 ASP A 20 19.969 -2.961 -7.237 1.00 0.00 O ATOM 292 OD2 ASP A 20 19.026 -1.728 -5.744 1.00 0.00 O ATOM 0 H ASP A 20 16.515 -1.835 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 20 18.050 -4.202 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 20 17.098 -3.283 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 20 18.175 -4.633 -6.051 1.00 0.00 H new ATOM 297 N GLY A 21 15.558 -5.093 -8.944 1.00 0.00 N ATOM 298 CA GLY A 21 14.392 -6.013 -8.990 1.00 0.00 C ATOM 299 C GLY A 21 13.139 -5.227 -8.608 1.00 0.00 C ATOM 300 O GLY A 21 12.136 -5.790 -8.215 1.00 0.00 O ATOM 0 H GLY A 21 15.874 -4.748 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.283 -6.437 -9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.540 -6.847 -8.304 1.00 0.00 H new ATOM 304 N GLN A 22 13.189 -3.925 -8.722 1.00 0.00 N ATOM 305 CA GLN A 22 12.009 -3.102 -8.367 1.00 0.00 C ATOM 306 C GLN A 22 11.603 -3.401 -6.922 1.00 0.00 C ATOM 307 O GLN A 22 10.448 -3.302 -6.558 1.00 0.00 O ATOM 308 CB GLN A 22 10.865 -3.456 -9.309 1.00 0.00 C ATOM 309 CG GLN A 22 11.260 -3.125 -10.749 1.00 0.00 C ATOM 310 CD GLN A 22 10.234 -2.161 -11.351 1.00 0.00 C ATOM 311 OE1 GLN A 22 10.596 -1.195 -11.991 1.00 0.00 O ATOM 312 NE2 GLN A 22 8.961 -2.386 -11.171 1.00 0.00 N ATOM 0 H GLN A 22 14.001 -3.401 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 22 12.246 -2.042 -8.460 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.625 -4.516 -9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.968 -2.902 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.253 -2.676 -10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.309 -4.038 -11.343 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.658 -3.198 -10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.270 -1.750 -11.568 1.00 0.00 H new ATOM 321 N LEU A 23 12.552 -3.772 -6.099 1.00 0.00 N ATOM 322 CA LEU A 23 12.248 -4.092 -4.670 1.00 0.00 C ATOM 323 C LEU A 23 11.001 -4.983 -4.579 1.00 0.00 C ATOM 324 O LEU A 23 10.081 -4.709 -3.835 1.00 0.00 O ATOM 325 CB LEU A 23 12.021 -2.794 -3.886 1.00 0.00 C ATOM 326 CG LEU A 23 13.179 -2.580 -2.905 1.00 0.00 C ATOM 327 CD1 LEU A 23 12.918 -1.324 -2.073 1.00 0.00 C ATOM 328 CD2 LEU A 23 13.295 -3.791 -1.972 1.00 0.00 C ATOM 0 H LEU A 23 13.534 -3.868 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 23 13.094 -4.628 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.951 -1.950 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.076 -2.844 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 23 14.107 -2.462 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.742 -1.172 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.838 -0.460 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.988 -1.443 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.119 -3.636 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.366 -3.911 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.482 -4.688 -2.562 1.00 0.00 H new ATOM 340 N ASP A 24 10.964 -6.046 -5.336 1.00 0.00 N ATOM 341 CA ASP A 24 9.778 -6.950 -5.300 1.00 0.00 C ATOM 342 C ASP A 24 9.803 -7.796 -4.022 1.00 0.00 C ATOM 343 O ASP A 24 8.801 -8.357 -3.625 1.00 0.00 O ATOM 344 CB ASP A 24 9.801 -7.869 -6.523 1.00 0.00 C ATOM 345 CG ASP A 24 9.505 -7.054 -7.784 1.00 0.00 C ATOM 346 OD1 ASP A 24 9.570 -5.837 -7.712 1.00 0.00 O ATOM 347 OD2 ASP A 24 9.218 -7.661 -8.803 1.00 0.00 O ATOM 0 H ASP A 24 11.704 -6.328 -5.978 1.00 0.00 H new ATOM 0 HA ASP A 24 8.869 -6.349 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.775 -8.351 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.062 -8.662 -6.409 1.00 0.00 H new ATOM 352 N GLY A 25 10.932 -7.893 -3.372 1.00 0.00 N ATOM 353 CA GLY A 25 11.003 -8.703 -2.120 1.00 0.00 C ATOM 354 C GLY A 25 10.716 -7.807 -0.909 1.00 0.00 C ATOM 355 O GLY A 25 11.036 -8.143 0.214 1.00 0.00 O ATOM 0 H GLY A 25 11.806 -7.448 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.280 -9.518 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.990 -9.156 -2.024 1.00 0.00 H new ATOM 359 N LEU A 26 10.116 -6.670 -1.131 1.00 0.00 N ATOM 360 CA LEU A 26 9.804 -5.748 -0.018 1.00 0.00 C ATOM 361 C LEU A 26 8.991 -6.477 1.043 1.00 0.00 C ATOM 362 O LEU A 26 7.925 -6.997 0.786 1.00 0.00 O ATOM 363 CB LEU A 26 8.981 -4.570 -0.549 1.00 0.00 C ATOM 364 CG LEU A 26 9.912 -3.509 -1.134 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.102 -2.552 -2.007 1.00 0.00 C ATOM 366 CD2 LEU A 26 10.570 -2.725 0.002 1.00 0.00 C ATOM 0 H LEU A 26 9.827 -6.342 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 26 10.736 -5.387 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.284 -4.916 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.384 -4.140 0.255 1.00 0.00 H new ATOM 0 HG LEU A 26 10.682 -3.992 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.763 -1.794 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.630 -3.109 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.334 -2.070 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.234 -1.968 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.801 -2.241 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.145 -3.406 0.629 1.00 0.00 H new ATOM 378 N ALA A 27 9.479 -6.485 2.245 1.00 0.00 N ATOM 379 CA ALA A 27 8.734 -7.145 3.362 1.00 0.00 C ATOM 380 C ALA A 27 7.308 -6.569 3.425 1.00 0.00 C ATOM 381 O ALA A 27 6.401 -7.154 4.005 1.00 0.00 O ATOM 382 CB ALA A 27 9.454 -6.876 4.685 1.00 0.00 C ATOM 0 H ALA A 27 10.368 -6.062 2.511 1.00 0.00 H new ATOM 0 HA ALA A 27 8.688 -8.220 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.911 -7.357 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.466 -7.278 4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.498 -5.802 4.863 1.00 0.00 H new ATOM 388 N PHE A 28 7.104 -5.422 2.830 1.00 0.00 N ATOM 389 CA PHE A 28 5.756 -4.812 2.835 1.00 0.00 C ATOM 390 C PHE A 28 5.346 -4.506 1.405 1.00 0.00 C ATOM 391 O PHE A 28 6.162 -4.190 0.563 1.00 0.00 O ATOM 392 CB PHE A 28 5.774 -3.507 3.628 1.00 0.00 C ATOM 393 CG PHE A 28 6.955 -2.685 3.180 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.207 -2.894 3.762 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.803 -1.733 2.167 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.313 -2.151 3.334 1.00 0.00 C ATOM 397 CE2 PHE A 28 7.908 -0.993 1.733 1.00 0.00 C ATOM 398 CZ PHE A 28 9.164 -1.205 2.318 1.00 0.00 C ATOM 0 H PHE A 28 7.821 -4.885 2.341 1.00 0.00 H new ATOM 0 HA PHE A 28 5.052 -5.506 3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.848 -2.955 3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.842 -3.715 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.322 -3.630 4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.834 -1.569 1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.280 -2.309 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.794 -0.260 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.018 -0.636 1.982 1.00 0.00 H new ATOM 408 N GLY A 29 4.085 -4.585 1.131 1.00 0.00 N ATOM 409 CA GLY A 29 3.605 -4.287 -0.235 1.00 0.00 C ATOM 410 C GLY A 29 3.591 -2.774 -0.438 1.00 0.00 C ATOM 411 O GLY A 29 3.284 -2.039 0.469 1.00 0.00 O ATOM 0 H GLY A 29 3.359 -4.845 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.253 -4.760 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.605 -4.696 -0.380 1.00 0.00 H new ATOM 415 N ALA A 30 3.903 -2.295 -1.615 1.00 0.00 N ATOM 416 CA ALA A 30 3.873 -0.820 -1.831 1.00 0.00 C ATOM 417 C ALA A 30 2.794 -0.508 -2.865 1.00 0.00 C ATOM 418 O ALA A 30 3.032 -0.534 -4.056 1.00 0.00 O ATOM 419 CB ALA A 30 5.238 -0.318 -2.321 1.00 0.00 C ATOM 0 H ALA A 30 4.173 -2.853 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 30 3.649 -0.315 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.196 0.761 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.000 -0.550 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.489 -0.807 -3.262 1.00 0.00 H new ATOM 425 N ILE A 31 1.599 -0.237 -2.415 1.00 0.00 N ATOM 426 CA ILE A 31 0.492 0.049 -3.372 1.00 0.00 C ATOM 427 C ILE A 31 0.341 1.562 -3.544 1.00 0.00 C ATOM 428 O ILE A 31 0.617 2.331 -2.648 1.00 0.00 O ATOM 429 CB ILE A 31 -0.832 -0.599 -2.873 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.628 0.330 -1.958 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.523 -1.858 -2.074 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.507 1.259 -2.798 1.00 0.00 C ATOM 0 H ILE A 31 1.342 -0.201 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 31 0.728 -0.386 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.422 -0.818 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.248 -0.256 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.948 0.918 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.454 -2.307 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.009 -2.569 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.097 -1.601 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.072 1.919 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.878 1.857 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.198 0.664 -3.396 1.00 0.00 H new ATOM 444 N GLN A 32 -0.105 1.988 -4.688 1.00 0.00 N ATOM 445 CA GLN A 32 -0.290 3.448 -4.920 1.00 0.00 C ATOM 446 C GLN A 32 -1.694 3.677 -5.480 1.00 0.00 C ATOM 447 O GLN A 32 -2.331 2.766 -5.973 1.00 0.00 O ATOM 448 CB GLN A 32 0.763 4.012 -5.905 1.00 0.00 C ATOM 449 CG GLN A 32 1.558 2.899 -6.618 1.00 0.00 C ATOM 450 CD GLN A 32 2.895 2.692 -5.906 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.090 1.704 -5.227 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.833 3.590 -6.036 1.00 0.00 N ATOM 0 H GLN A 32 -0.351 1.389 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.162 3.970 -3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.264 4.632 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.454 4.658 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.986 1.971 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.727 3.169 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.669 4.420 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.730 3.462 -5.567 1.00 0.00 H new ATOM 461 N LEU A 33 -2.192 4.880 -5.402 1.00 0.00 N ATOM 462 CA LEU A 33 -3.560 5.156 -5.923 1.00 0.00 C ATOM 463 C LEU A 33 -3.620 6.593 -6.450 1.00 0.00 C ATOM 464 O LEU A 33 -2.877 7.450 -6.014 1.00 0.00 O ATOM 465 CB LEU A 33 -4.588 5.033 -4.793 1.00 0.00 C ATOM 466 CG LEU A 33 -4.386 3.726 -4.025 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.243 3.750 -2.757 1.00 0.00 C ATOM 468 CD2 LEU A 33 -4.813 2.550 -4.906 1.00 0.00 C ATOM 0 H LEU A 33 -1.710 5.684 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.782 4.440 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.493 5.880 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.596 5.067 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.336 3.616 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.103 2.820 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.944 4.591 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.293 3.855 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.670 1.617 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.865 2.658 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.209 2.537 -5.813 1.00 0.00 H new ATOM 480 N ASP A 34 -4.515 6.878 -7.356 1.00 0.00 N ATOM 481 CA ASP A 34 -4.624 8.276 -7.867 1.00 0.00 C ATOM 482 C ASP A 34 -6.051 8.785 -7.655 1.00 0.00 C ATOM 483 O ASP A 34 -7.005 8.059 -7.867 1.00 0.00 O ATOM 484 CB ASP A 34 -4.286 8.342 -9.355 1.00 0.00 C ATOM 485 CG ASP A 34 -2.996 9.139 -9.551 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.920 10.239 -9.030 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.107 8.638 -10.220 1.00 0.00 O ATOM 0 H ASP A 34 -5.171 6.211 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.916 8.898 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.169 7.336 -9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.103 8.811 -9.904 1.00 0.00 H new ATOM 492 N GLY A 35 -6.151 10.036 -7.240 1.00 0.00 N ATOM 493 CA GLY A 35 -7.455 10.753 -6.961 1.00 0.00 C ATOM 494 C GLY A 35 -8.690 9.930 -7.328 1.00 0.00 C ATOM 495 O GLY A 35 -9.420 10.258 -8.242 1.00 0.00 O ATOM 0 H GLY A 35 -5.333 10.622 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.500 11.011 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.473 11.690 -7.518 1.00 0.00 H new ATOM 499 N ASP A 36 -8.920 8.871 -6.606 1.00 0.00 N ATOM 500 CA ASP A 36 -10.098 7.989 -6.867 1.00 0.00 C ATOM 501 C ASP A 36 -9.845 6.636 -6.206 1.00 0.00 C ATOM 502 O ASP A 36 -10.758 5.893 -5.908 1.00 0.00 O ATOM 503 CB ASP A 36 -10.286 7.772 -8.376 1.00 0.00 C ATOM 504 CG ASP A 36 -11.554 8.487 -8.844 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.616 8.157 -8.343 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.441 9.350 -9.698 1.00 0.00 O ATOM 0 H ASP A 36 -8.331 8.571 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.994 8.460 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.421 8.153 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.356 6.706 -8.594 1.00 0.00 H new ATOM 511 N GLY A 37 -8.599 6.303 -5.995 1.00 0.00 N ATOM 512 CA GLY A 37 -8.268 4.999 -5.382 1.00 0.00 C ATOM 513 C GLY A 37 -7.904 4.025 -6.501 1.00 0.00 C ATOM 514 O GLY A 37 -7.921 2.824 -6.319 1.00 0.00 O ATOM 0 H GLY A 37 -7.796 6.888 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.436 5.106 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.116 4.622 -4.810 1.00 0.00 H new ATOM 518 N ASN A 38 -7.571 4.532 -7.665 1.00 0.00 N ATOM 519 CA ASN A 38 -7.207 3.608 -8.786 1.00 0.00 C ATOM 520 C ASN A 38 -5.732 3.235 -8.658 1.00 0.00 C ATOM 521 O ASN A 38 -4.885 4.079 -8.473 1.00 0.00 O ATOM 522 CB ASN A 38 -7.464 4.285 -10.134 1.00 0.00 C ATOM 523 CG ASN A 38 -6.882 5.696 -10.117 1.00 0.00 C ATOM 524 OD1 ASN A 38 -5.681 5.866 -10.091 1.00 0.00 O ATOM 525 ND2 ASN A 38 -7.689 6.721 -10.132 1.00 0.00 N ATOM 0 H ASN A 38 -7.536 5.527 -7.885 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.820 2.708 -8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.011 3.703 -10.937 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.535 4.325 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.311 7.668 -10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.698 6.575 -10.154 1.00 0.00 H new ATOM 532 N ILE A 39 -5.429 1.969 -8.714 1.00 0.00 N ATOM 533 CA ILE A 39 -4.014 1.524 -8.536 1.00 0.00 C ATOM 534 C ILE A 39 -3.043 2.216 -9.499 1.00 0.00 C ATOM 535 O ILE A 39 -3.283 2.338 -10.684 1.00 0.00 O ATOM 536 CB ILE A 39 -3.918 -0.019 -8.713 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.846 -0.563 -7.769 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.547 -0.421 -10.146 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.426 -0.707 -6.360 1.00 0.00 C ATOM 0 H ILE A 39 -6.101 1.219 -8.876 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.719 1.808 -7.526 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.900 -0.435 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.489 -1.529 -8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.987 0.108 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.493 -1.507 -10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.305 -0.050 -10.836 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.579 0.008 -10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.660 -1.095 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.761 0.267 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.271 -1.396 -6.383 1.00 0.00 H new ATOM 551 N LEU A 40 -1.911 2.589 -8.979 1.00 0.00 N ATOM 552 CA LEU A 40 -0.842 3.193 -9.819 1.00 0.00 C ATOM 553 C LEU A 40 0.304 2.176 -9.871 1.00 0.00 C ATOM 554 O LEU A 40 1.010 2.068 -10.851 1.00 0.00 O ATOM 555 CB LEU A 40 -0.336 4.504 -9.208 1.00 0.00 C ATOM 556 CG LEU A 40 -1.475 5.219 -8.484 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.946 6.499 -7.839 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.567 5.564 -9.492 1.00 0.00 C ATOM 0 H LEU A 40 -1.676 2.500 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.226 3.422 -10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.477 4.300 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.068 5.147 -9.990 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.884 4.571 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.759 7.009 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.162 6.249 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.539 7.153 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.384 6.075 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.157 6.215 -10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.941 4.649 -9.951 1.00 0.00 H new ATOM 570 N GLN A 41 0.463 1.408 -8.813 1.00 0.00 N ATOM 571 CA GLN A 41 1.529 0.363 -8.775 1.00 0.00 C ATOM 572 C GLN A 41 1.287 -0.570 -7.586 1.00 0.00 C ATOM 573 O GLN A 41 0.445 -0.316 -6.749 1.00 0.00 O ATOM 574 CB GLN A 41 2.917 1.012 -8.673 1.00 0.00 C ATOM 575 CG GLN A 41 3.843 0.433 -9.755 1.00 0.00 C ATOM 576 CD GLN A 41 3.184 0.589 -11.128 1.00 0.00 C ATOM 577 OE1 GLN A 41 3.342 1.602 -11.782 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.444 -0.382 -11.592 1.00 0.00 N ATOM 0 H GLN A 41 -0.108 1.466 -7.970 1.00 0.00 H new ATOM 0 HA GLN A 41 1.493 -0.216 -9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.833 2.092 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.341 0.833 -7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.804 0.948 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.042 -0.619 -9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.313 -1.231 -11.042 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.997 -0.292 -12.505 1.00 0.00 H new ATOM 587 N TYR A 42 1.989 -1.673 -7.525 1.00 0.00 N ATOM 588 CA TYR A 42 1.751 -2.634 -6.407 1.00 0.00 C ATOM 589 C TYR A 42 3.059 -3.337 -5.989 1.00 0.00 C ATOM 590 O TYR A 42 3.569 -3.090 -4.910 1.00 0.00 O ATOM 591 CB TYR A 42 0.724 -3.670 -6.889 1.00 0.00 C ATOM 592 CG TYR A 42 0.116 -4.402 -5.719 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.574 -3.695 -4.731 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.235 -5.792 -5.630 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.149 -4.380 -3.651 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.336 -6.473 -4.554 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.028 -5.770 -3.565 1.00 0.00 C ATOM 598 OH TYR A 42 -1.593 -6.448 -2.506 1.00 0.00 O ATOM 0 H TYR A 42 2.709 -1.947 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 42 1.378 -2.098 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.060 -3.173 -7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.205 -4.382 -7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.664 -2.621 -4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.769 -6.339 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.684 -3.835 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.243 -7.547 -4.486 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.454 -5.939 -1.680 1.00 0.00 H new ATOM 608 N ASN A 43 3.564 -4.219 -6.837 1.00 0.00 N ATOM 609 CA ASN A 43 4.825 -5.019 -6.575 1.00 0.00 C ATOM 610 C ASN A 43 4.437 -6.491 -6.336 1.00 0.00 C ATOM 611 O ASN A 43 3.277 -6.849 -6.395 1.00 0.00 O ATOM 612 CB ASN A 43 5.675 -4.464 -5.404 1.00 0.00 C ATOM 613 CG ASN A 43 5.172 -4.989 -4.054 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.041 -5.401 -3.942 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.976 -4.989 -3.024 1.00 0.00 N ATOM 0 H ASN A 43 3.135 -4.426 -7.739 1.00 0.00 H new ATOM 0 HA ASN A 43 5.463 -4.936 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.718 -4.749 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.639 -3.375 -5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.650 -5.337 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.930 -4.641 -3.122 1.00 0.00 H new ATOM 622 N ALA A 44 5.397 -7.351 -6.114 1.00 0.00 N ATOM 623 CA ALA A 44 5.072 -8.802 -5.928 1.00 0.00 C ATOM 624 C ALA A 44 4.983 -9.221 -4.449 1.00 0.00 C ATOM 625 O ALA A 44 4.316 -10.181 -4.128 1.00 0.00 O ATOM 626 CB ALA A 44 6.149 -9.642 -6.617 1.00 0.00 C ATOM 0 H ALA A 44 6.388 -7.116 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 44 4.089 -8.970 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.923 -10.700 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.172 -9.403 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.120 -9.422 -6.174 1.00 0.00 H new ATOM 632 N ALA A 45 5.656 -8.555 -3.549 1.00 0.00 N ATOM 633 CA ALA A 45 5.592 -8.987 -2.110 1.00 0.00 C ATOM 634 C ALA A 45 4.145 -9.153 -1.661 1.00 0.00 C ATOM 635 O ALA A 45 3.700 -10.229 -1.317 1.00 0.00 O ATOM 636 CB ALA A 45 6.260 -7.936 -1.214 1.00 0.00 C ATOM 0 H ALA A 45 6.241 -7.741 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 45 6.113 -9.941 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.208 -8.259 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.304 -7.819 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.743 -6.983 -1.324 1.00 0.00 H new ATOM 642 N GLU A 46 3.428 -8.079 -1.636 1.00 0.00 N ATOM 643 CA GLU A 46 2.002 -8.128 -1.186 1.00 0.00 C ATOM 644 C GLU A 46 1.213 -9.081 -2.061 1.00 0.00 C ATOM 645 O GLU A 46 0.562 -9.978 -1.585 1.00 0.00 O ATOM 646 CB GLU A 46 1.338 -6.743 -1.260 1.00 0.00 C ATOM 647 CG GLU A 46 1.997 -5.855 -2.318 1.00 0.00 C ATOM 648 CD GLU A 46 1.363 -4.475 -2.310 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.584 -4.199 -1.412 1.00 0.00 O ATOM 650 OE2 GLU A 46 1.720 -3.624 -3.326 1.00 0.00 O ATOM 0 H GLU A 46 3.762 -7.154 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 46 2.001 -8.468 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.279 -6.859 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.401 -6.257 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.066 -5.774 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.888 -6.308 -3.303 1.00 0.00 H new ATOM 658 N GLY A 47 1.259 -8.889 -3.336 1.00 0.00 N ATOM 659 CA GLY A 47 0.493 -9.789 -4.249 1.00 0.00 C ATOM 660 C GLY A 47 0.913 -11.247 -4.026 1.00 0.00 C ATOM 661 O GLY A 47 0.231 -12.160 -4.443 1.00 0.00 O ATOM 0 H GLY A 47 1.791 -8.151 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.576 -9.679 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.672 -9.505 -5.286 1.00 0.00 H new ATOM 665 N ASP A 48 2.023 -11.484 -3.372 1.00 0.00 N ATOM 666 CA ASP A 48 2.445 -12.893 -3.136 1.00 0.00 C ATOM 667 C ASP A 48 1.646 -13.462 -1.959 1.00 0.00 C ATOM 668 O ASP A 48 1.262 -14.614 -1.953 1.00 0.00 O ATOM 669 CB ASP A 48 3.939 -12.940 -2.810 1.00 0.00 C ATOM 670 CG ASP A 48 4.388 -14.397 -2.681 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.698 -15.256 -3.205 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.413 -14.629 -2.062 1.00 0.00 O ATOM 0 H ASP A 48 2.647 -10.770 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 48 2.258 -13.485 -4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.509 -12.441 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.136 -12.404 -1.882 1.00 0.00 H new ATOM 677 N ILE A 49 1.391 -12.655 -0.964 1.00 0.00 N ATOM 678 CA ILE A 49 0.616 -13.132 0.213 1.00 0.00 C ATOM 679 C ILE A 49 -0.881 -13.129 -0.142 1.00 0.00 C ATOM 680 O ILE A 49 -1.568 -14.125 -0.021 1.00 0.00 O ATOM 681 CB ILE A 49 0.935 -12.205 1.406 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.688 -12.999 2.475 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.324 -11.588 2.035 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.071 -13.383 1.947 1.00 0.00 C ATOM 0 H ILE A 49 1.689 -11.681 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 49 0.887 -14.151 0.488 1.00 0.00 H new ATOM 0 HB ILE A 49 1.544 -11.386 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.786 -12.404 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.127 -13.895 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.037 -10.946 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.852 -10.997 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.977 -12.382 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.607 -13.949 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.962 -13.994 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.631 -12.480 1.704 1.00 0.00 H new ATOM 696 N THR A 50 -1.378 -12.003 -0.569 1.00 0.00 N ATOM 697 CA THR A 50 -2.819 -11.893 -0.929 1.00 0.00 C ATOM 698 C THR A 50 -3.070 -12.532 -2.296 1.00 0.00 C ATOM 699 O THR A 50 -4.188 -12.861 -2.639 1.00 0.00 O ATOM 700 CB THR A 50 -3.203 -10.408 -1.002 1.00 0.00 C ATOM 701 OG1 THR A 50 -2.494 -9.795 -2.069 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.839 -9.716 0.309 1.00 0.00 C ATOM 0 H THR A 50 -0.841 -11.144 -0.685 1.00 0.00 H new ATOM 0 HA THR A 50 -3.416 -12.406 -0.175 1.00 0.00 H new ATOM 0 HB THR A 50 -4.276 -10.319 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.542 -9.745 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.113 -8.663 0.253 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.377 -10.188 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.766 -9.803 0.481 1.00 0.00 H new ATOM 710 N GLY A 51 -2.048 -12.683 -3.096 1.00 0.00 N ATOM 711 CA GLY A 51 -2.251 -13.268 -4.450 1.00 0.00 C ATOM 712 C GLY A 51 -2.779 -12.180 -5.400 1.00 0.00 C ATOM 713 O GLY A 51 -2.998 -12.414 -6.572 1.00 0.00 O ATOM 0 H GLY A 51 -1.087 -12.427 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.312 -13.673 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.958 -14.096 -4.399 1.00 0.00 H new ATOM 717 N ARG A 52 -3.001 -10.994 -4.888 1.00 0.00 N ATOM 718 CA ARG A 52 -3.529 -9.879 -5.717 1.00 0.00 C ATOM 719 C ARG A 52 -2.780 -9.766 -7.047 1.00 0.00 C ATOM 720 O ARG A 52 -3.382 -9.617 -8.092 1.00 0.00 O ATOM 721 CB ARG A 52 -3.354 -8.578 -4.935 1.00 0.00 C ATOM 722 CG ARG A 52 -4.650 -8.247 -4.196 1.00 0.00 C ATOM 723 CD ARG A 52 -4.327 -7.702 -2.810 1.00 0.00 C ATOM 724 NE ARG A 52 -4.814 -6.292 -2.664 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.137 -5.292 -3.159 1.00 0.00 C ATOM 726 NH1 ARG A 52 -3.670 -5.346 -4.372 1.00 0.00 N ATOM 727 NH2 ARG A 52 -3.965 -4.225 -2.438 1.00 0.00 N ATOM 0 H ARG A 52 -2.834 -10.753 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.579 -10.071 -5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.533 -8.676 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.093 -7.766 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.225 -7.513 -4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.269 -9.140 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.790 -8.332 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.251 -7.739 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.688 -6.111 -2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.832 -6.175 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.142 -4.560 -4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.357 -4.176 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.438 -3.436 -2.812 1.00 0.00 H new ATOM 741 N ASP A 53 -1.475 -9.802 -7.021 1.00 0.00 N ATOM 742 CA ASP A 53 -0.703 -9.661 -8.291 1.00 0.00 C ATOM 743 C ASP A 53 -0.893 -8.224 -8.810 1.00 0.00 C ATOM 744 O ASP A 53 -1.936 -7.637 -8.600 1.00 0.00 O ATOM 745 CB ASP A 53 -1.218 -10.663 -9.330 1.00 0.00 C ATOM 746 CG ASP A 53 -0.137 -11.710 -9.609 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.004 -11.321 -9.796 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.470 -12.884 -9.629 1.00 0.00 O ATOM 0 H ASP A 53 -0.911 -9.922 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 53 0.354 -9.861 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.124 -11.148 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.483 -10.144 -10.251 1.00 0.00 H new ATOM 753 N PRO A 54 0.120 -7.682 -9.454 1.00 0.00 N ATOM 754 CA PRO A 54 0.069 -6.302 -9.980 1.00 0.00 C ATOM 755 C PRO A 54 -0.763 -6.217 -11.267 1.00 0.00 C ATOM 756 O PRO A 54 -1.451 -5.244 -11.504 1.00 0.00 O ATOM 757 CB PRO A 54 1.536 -5.966 -10.259 1.00 0.00 C ATOM 758 CG PRO A 54 2.271 -7.317 -10.421 1.00 0.00 C ATOM 759 CD PRO A 54 1.400 -8.379 -9.723 1.00 0.00 C ATOM 0 HA PRO A 54 -0.404 -5.611 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.631 -5.362 -11.161 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.964 -5.387 -9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.408 -7.560 -11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.264 -7.274 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.252 -9.252 -10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.863 -8.730 -8.801 1.00 0.00 H new ATOM 767 N LYS A 55 -0.697 -7.211 -12.106 1.00 0.00 N ATOM 768 CA LYS A 55 -1.475 -7.162 -13.375 1.00 0.00 C ATOM 769 C LYS A 55 -2.967 -7.331 -13.087 1.00 0.00 C ATOM 770 O LYS A 55 -3.806 -6.867 -13.833 1.00 0.00 O ATOM 771 CB LYS A 55 -1.008 -8.286 -14.302 1.00 0.00 C ATOM 772 CG LYS A 55 0.048 -7.744 -15.269 1.00 0.00 C ATOM 773 CD LYS A 55 -0.397 -8.004 -16.709 1.00 0.00 C ATOM 774 CE LYS A 55 -1.124 -6.770 -17.249 1.00 0.00 C ATOM 775 NZ LYS A 55 -2.028 -7.175 -18.364 1.00 0.00 N ATOM 0 H LYS A 55 -0.139 -8.054 -11.969 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.312 -6.196 -13.853 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.593 -9.106 -13.716 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.854 -8.688 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.189 -6.675 -15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.008 -8.224 -15.082 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.467 -8.232 -17.333 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.055 -8.872 -16.747 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.699 -6.296 -16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.401 -6.034 -17.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.523 -6.337 -18.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.468 -7.608 -19.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.725 -7.862 -18.013 1.00 0.00 H new ATOM 789 N GLN A 56 -3.312 -7.991 -12.018 1.00 0.00 N ATOM 790 CA GLN A 56 -4.755 -8.182 -11.702 1.00 0.00 C ATOM 791 C GLN A 56 -5.286 -6.948 -10.974 1.00 0.00 C ATOM 792 O GLN A 56 -6.385 -6.491 -11.225 1.00 0.00 O ATOM 793 CB GLN A 56 -4.926 -9.418 -10.814 1.00 0.00 C ATOM 794 CG GLN A 56 -6.366 -9.925 -10.911 1.00 0.00 C ATOM 795 CD GLN A 56 -6.420 -11.137 -11.844 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.097 -12.106 -11.561 1.00 0.00 O ATOM 797 NE2 GLN A 56 -5.732 -11.123 -12.953 1.00 0.00 N ATOM 0 H GLN A 56 -2.661 -8.405 -11.351 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.314 -8.323 -12.627 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.233 -10.200 -11.124 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.686 -9.171 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.734 -10.198 -9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.016 -9.135 -11.286 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.164 -10.310 -13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.762 -11.925 -13.582 1.00 0.00 H new ATOM 806 N VAL A 57 -4.514 -6.402 -10.079 1.00 0.00 N ATOM 807 CA VAL A 57 -4.973 -5.194 -9.340 1.00 0.00 C ATOM 808 C VAL A 57 -4.941 -3.975 -10.260 1.00 0.00 C ATOM 809 O VAL A 57 -5.383 -2.904 -9.895 1.00 0.00 O ATOM 810 CB VAL A 57 -4.052 -4.948 -8.153 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.067 -6.177 -7.258 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.626 -4.695 -8.649 1.00 0.00 C ATOM 0 H VAL A 57 -3.585 -6.739 -9.827 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.993 -5.356 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.395 -4.077 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.410 -6.013 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.082 -6.358 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.719 -7.042 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.970 -4.519 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.274 -5.564 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.617 -3.821 -9.300 1.00 0.00 H new ATOM 822 N ILE A 58 -4.418 -4.119 -11.448 1.00 0.00 N ATOM 823 CA ILE A 58 -4.367 -2.959 -12.367 1.00 0.00 C ATOM 824 C ILE A 58 -5.789 -2.649 -12.831 1.00 0.00 C ATOM 825 O ILE A 58 -6.463 -3.471 -13.420 1.00 0.00 O ATOM 826 CB ILE A 58 -3.406 -3.288 -13.536 1.00 0.00 C ATOM 827 CG1 ILE A 58 -2.105 -2.525 -13.300 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.987 -2.872 -14.900 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.969 -3.178 -14.089 1.00 0.00 C ATOM 0 H ILE A 58 -4.027 -4.987 -11.815 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.979 -2.067 -11.874 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.246 -4.366 -13.562 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.222 -1.486 -13.607 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.864 -2.519 -12.237 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.278 -3.122 -15.689 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.924 -3.401 -15.073 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.171 -1.798 -14.905 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.043 -2.629 -13.916 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.845 -4.210 -13.761 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.208 -3.161 -15.152 1.00 0.00 H new ATOM 841 N GLY A 59 -6.249 -1.471 -12.540 1.00 0.00 N ATOM 842 CA GLY A 59 -7.635 -1.097 -12.928 1.00 0.00 C ATOM 843 C GLY A 59 -8.553 -1.325 -11.724 1.00 0.00 C ATOM 844 O GLY A 59 -9.623 -0.758 -11.628 1.00 0.00 O ATOM 0 H GLY A 59 -5.725 -0.747 -12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.673 -0.054 -13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.966 -1.696 -13.776 1.00 0.00 H new ATOM 848 N LYS A 60 -8.128 -2.147 -10.798 1.00 0.00 N ATOM 849 CA LYS A 60 -8.958 -2.410 -9.591 1.00 0.00 C ATOM 850 C LYS A 60 -8.781 -1.252 -8.615 1.00 0.00 C ATOM 851 O LYS A 60 -7.717 -0.668 -8.512 1.00 0.00 O ATOM 852 CB LYS A 60 -8.499 -3.712 -8.912 1.00 0.00 C ATOM 853 CG LYS A 60 -8.210 -4.786 -9.969 1.00 0.00 C ATOM 854 CD LYS A 60 -9.436 -4.978 -10.867 1.00 0.00 C ATOM 855 CE LYS A 60 -9.574 -6.457 -11.234 1.00 0.00 C ATOM 856 NZ LYS A 60 -11.017 -6.826 -11.269 1.00 0.00 N ATOM 0 H LYS A 60 -7.239 -2.647 -10.829 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.004 -2.507 -9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.604 -3.525 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.269 -4.064 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.350 -4.494 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.954 -5.727 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.334 -4.635 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.336 -4.376 -11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.115 -6.646 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.047 -7.074 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.112 -7.831 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.441 -6.660 -10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.507 -6.245 -11.979 1.00 0.00 H new ATOM 870 N ASN A 61 -9.808 -0.911 -7.895 1.00 0.00 N ATOM 871 CA ASN A 61 -9.687 0.208 -6.927 1.00 0.00 C ATOM 872 C ASN A 61 -9.233 -0.349 -5.578 1.00 0.00 C ATOM 873 O ASN A 61 -9.870 -1.203 -5.003 1.00 0.00 O ATOM 874 CB ASN A 61 -11.044 0.896 -6.767 1.00 0.00 C ATOM 875 CG ASN A 61 -10.969 2.311 -7.342 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.317 3.268 -6.680 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.527 2.487 -8.558 1.00 0.00 N ATOM 0 H ASN A 61 -10.724 -1.358 -7.935 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.959 0.933 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.817 0.324 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.322 0.934 -5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.474 3.427 -8.950 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.234 1.684 -9.115 1.00 0.00 H new ATOM 884 N PHE A 62 -8.133 0.123 -5.070 1.00 0.00 N ATOM 885 CA PHE A 62 -7.647 -0.384 -3.753 1.00 0.00 C ATOM 886 C PHE A 62 -8.696 -0.112 -2.669 1.00 0.00 C ATOM 887 O PHE A 62 -8.667 -0.699 -1.605 1.00 0.00 O ATOM 888 CB PHE A 62 -6.357 0.343 -3.385 1.00 0.00 C ATOM 889 CG PHE A 62 -5.890 -0.135 -2.036 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.105 -1.281 -1.943 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.242 0.572 -0.882 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.670 -1.727 -0.688 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.806 0.126 0.371 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.020 -1.023 0.465 1.00 0.00 C ATOM 0 H PHE A 62 -7.548 0.836 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.469 -1.457 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.591 0.154 -4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.525 1.420 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.832 -1.825 -2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.850 1.462 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.063 -2.617 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.077 0.670 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.682 -1.368 1.431 1.00 0.00 H new ATOM 904 N PHE A 63 -9.611 0.779 -2.919 1.00 0.00 N ATOM 905 CA PHE A 63 -10.642 1.090 -1.891 1.00 0.00 C ATOM 906 C PHE A 63 -12.028 0.748 -2.435 1.00 0.00 C ATOM 907 O PHE A 63 -13.006 1.394 -2.114 1.00 0.00 O ATOM 908 CB PHE A 63 -10.600 2.584 -1.567 1.00 0.00 C ATOM 909 CG PHE A 63 -9.483 2.866 -0.593 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.646 2.570 0.764 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.286 3.432 -1.048 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.611 2.838 1.669 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.251 3.702 -0.144 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.413 3.405 1.214 1.00 0.00 C ATOM 0 H PHE A 63 -9.691 1.305 -3.789 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.441 0.505 -0.994 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.451 3.159 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.553 2.900 -1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.570 2.135 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.161 3.660 -2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.736 2.608 2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.328 4.139 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.615 3.613 1.911 1.00 0.00 H new ATOM 924 N LYS A 64 -12.126 -0.250 -3.268 1.00 0.00 N ATOM 925 CA LYS A 64 -13.455 -0.600 -3.836 1.00 0.00 C ATOM 926 C LYS A 64 -13.506 -2.076 -4.241 1.00 0.00 C ATOM 927 O LYS A 64 -14.403 -2.799 -3.854 1.00 0.00 O ATOM 928 CB LYS A 64 -13.714 0.269 -5.067 1.00 0.00 C ATOM 929 CG LYS A 64 -15.216 0.342 -5.341 1.00 0.00 C ATOM 930 CD LYS A 64 -15.667 1.803 -5.320 1.00 0.00 C ATOM 931 CE LYS A 64 -17.133 1.877 -4.887 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.579 3.298 -4.883 1.00 0.00 N ATOM 0 H LYS A 64 -11.349 -0.834 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.217 -0.423 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.315 1.271 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.197 -0.146 -5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.442 -0.106 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.762 -0.229 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.044 2.377 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.545 2.247 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.754 1.292 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.252 1.445 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.575 3.348 -4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.994 3.844 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.480 3.696 -5.839 1.00 0.00 H new ATOM 946 N ASP A 65 -12.577 -2.530 -5.042 1.00 0.00 N ATOM 947 CA ASP A 65 -12.627 -3.953 -5.479 1.00 0.00 C ATOM 948 C ASP A 65 -11.337 -4.702 -5.126 1.00 0.00 C ATOM 949 O ASP A 65 -11.089 -5.771 -5.651 1.00 0.00 O ATOM 950 CB ASP A 65 -12.832 -4.002 -6.996 1.00 0.00 C ATOM 951 CG ASP A 65 -14.199 -4.613 -7.308 1.00 0.00 C ATOM 952 OD1 ASP A 65 -15.110 -4.408 -6.523 1.00 0.00 O ATOM 953 OD2 ASP A 65 -14.312 -5.272 -8.328 1.00 0.00 O ATOM 0 H ASP A 65 -11.797 -1.984 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.453 -4.438 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.767 -2.998 -7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.043 -4.593 -7.461 1.00 0.00 H new ATOM 958 N VAL A 66 -10.512 -4.188 -4.246 1.00 0.00 N ATOM 959 CA VAL A 66 -9.276 -4.929 -3.904 1.00 0.00 C ATOM 960 C VAL A 66 -9.309 -5.263 -2.427 1.00 0.00 C ATOM 961 O VAL A 66 -9.200 -6.402 -2.017 1.00 0.00 O ATOM 962 CB VAL A 66 -8.069 -4.048 -4.158 1.00 0.00 C ATOM 963 CG1 VAL A 66 -6.815 -4.852 -3.915 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.056 -3.556 -5.587 1.00 0.00 C ATOM 0 H VAL A 66 -10.645 -3.301 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.213 -5.833 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.116 -3.190 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.941 -4.226 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.803 -5.204 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.795 -5.707 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.181 -2.926 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.018 -4.409 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.960 -2.978 -5.781 1.00 0.00 H new ATOM 974 N ALA A 67 -9.448 -4.255 -1.630 1.00 0.00 N ATOM 975 CA ALA A 67 -9.482 -4.448 -0.170 1.00 0.00 C ATOM 976 C ALA A 67 -10.845 -3.972 0.354 1.00 0.00 C ATOM 977 O ALA A 67 -11.045 -2.787 0.537 1.00 0.00 O ATOM 978 CB ALA A 67 -8.361 -3.614 0.439 1.00 0.00 C ATOM 0 H ALA A 67 -9.541 -3.287 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.345 -5.496 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.362 -3.738 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.403 -3.944 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.515 -2.563 0.194 1.00 0.00 H new ATOM 984 N PRO A 68 -11.753 -4.902 0.578 1.00 0.00 N ATOM 985 CA PRO A 68 -13.104 -4.571 1.072 1.00 0.00 C ATOM 986 C PRO A 68 -13.068 -4.178 2.554 1.00 0.00 C ATOM 987 O PRO A 68 -14.086 -3.878 3.148 1.00 0.00 O ATOM 988 CB PRO A 68 -13.898 -5.864 0.857 1.00 0.00 C ATOM 989 CG PRO A 68 -12.860 -7.006 0.783 1.00 0.00 C ATOM 990 CD PRO A 68 -11.526 -6.355 0.377 1.00 0.00 C ATOM 0 HA PRO A 68 -13.546 -3.719 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.600 -6.029 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.484 -5.812 -0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.769 -7.511 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.162 -7.759 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.702 -6.718 0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.273 -6.579 -0.659 1.00 0.00 H new ATOM 998 N CYS A 69 -11.910 -4.171 3.157 1.00 0.00 N ATOM 999 CA CYS A 69 -11.821 -3.793 4.589 1.00 0.00 C ATOM 1000 C CYS A 69 -11.277 -2.361 4.706 1.00 0.00 C ATOM 1001 O CYS A 69 -11.522 -1.667 5.673 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.877 -4.774 5.303 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.159 -4.471 4.798 1.00 0.00 S ATOM 0 H CYS A 69 -11.023 -4.412 2.716 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.808 -3.836 5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.972 -4.660 6.383 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.158 -5.800 5.064 1.00 0.00 H new ATOM 1008 N THR A 70 -10.526 -1.925 3.727 1.00 0.00 N ATOM 1009 CA THR A 70 -9.946 -0.555 3.780 1.00 0.00 C ATOM 1010 C THR A 70 -11.045 0.490 3.570 1.00 0.00 C ATOM 1011 O THR A 70 -10.815 1.674 3.708 1.00 0.00 O ATOM 1012 CB THR A 70 -8.879 -0.413 2.689 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.450 -0.708 1.419 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.734 -1.388 2.967 1.00 0.00 C ATOM 0 H THR A 70 -10.291 -2.462 2.893 1.00 0.00 H new ATOM 0 HA THR A 70 -9.491 -0.395 4.758 1.00 0.00 H new ATOM 0 HB THR A 70 -8.499 0.609 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.668 0.128 0.956 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.975 -1.288 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.293 -1.164 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.117 -2.408 2.970 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.238 0.066 3.243 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.343 1.043 3.038 1.00 0.00 C ATOM 1024 C ASP A 71 -13.977 1.368 4.391 1.00 0.00 C ATOM 1025 O ASP A 71 -15.074 0.941 4.693 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.399 0.432 2.113 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.412 1.505 1.710 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -15.099 2.286 0.827 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.486 1.526 2.290 1.00 0.00 O ATOM 0 H ASP A 71 -12.492 -0.913 3.110 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.951 1.954 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.922 0.016 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.907 -0.390 2.617 1.00 0.00 H new ATOM 1034 N SER A 72 -13.292 2.114 5.215 1.00 0.00 N ATOM 1035 CA SER A 72 -13.852 2.456 6.551 1.00 0.00 C ATOM 1036 C SER A 72 -13.127 3.687 7.115 1.00 0.00 C ATOM 1037 O SER A 72 -12.151 4.136 6.538 1.00 0.00 O ATOM 1038 CB SER A 72 -13.652 1.275 7.500 1.00 0.00 C ATOM 1039 OG SER A 72 -13.430 0.094 6.742 1.00 0.00 O ATOM 0 H SER A 72 -12.369 2.501 5.019 1.00 0.00 H new ATOM 0 HA SER A 72 -14.915 2.674 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.804 1.463 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.529 1.153 8.136 1.00 0.00 H new ATOM 0 HG SER A 72 -12.467 -0.072 6.670 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.623 4.196 8.230 1.00 0.00 N ATOM 1046 CA PRO A 73 -13.033 5.375 8.890 1.00 0.00 C ATOM 1047 C PRO A 73 -11.776 4.975 9.668 1.00 0.00 C ATOM 1048 O PRO A 73 -11.790 4.842 10.876 1.00 0.00 O ATOM 1049 CB PRO A 73 -14.140 5.854 9.834 1.00 0.00 C ATOM 1050 CG PRO A 73 -15.055 4.634 10.088 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.806 3.647 8.934 1.00 0.00 C ATOM 0 HA PRO A 73 -12.720 6.149 8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.720 6.225 10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.702 6.675 9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.826 4.172 11.048 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.102 4.935 10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.616 2.640 9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.669 3.584 8.271 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.696 4.781 8.971 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.418 4.385 9.625 1.00 0.00 C ATOM 1061 C GLU A 74 -8.420 4.057 8.523 1.00 0.00 C ATOM 1062 O GLU A 74 -7.246 4.358 8.608 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.641 3.151 10.491 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.612 3.545 11.969 1.00 0.00 C ATOM 1065 CD GLU A 74 -8.174 3.472 12.489 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -7.305 4.038 11.846 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -7.966 2.853 13.519 1.00 0.00 O ATOM 0 H GLU A 74 -10.642 4.881 7.957 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.047 5.192 10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.599 2.691 10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.870 2.408 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.005 4.554 12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.253 2.879 12.547 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.900 3.462 7.469 1.00 0.00 N ATOM 1075 CA PHE A 75 -8.019 3.137 6.322 1.00 0.00 C ATOM 1076 C PHE A 75 -8.321 4.155 5.226 1.00 0.00 C ATOM 1077 O PHE A 75 -7.506 5.002 4.901 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.307 1.718 5.820 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.038 1.132 5.252 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.507 1.649 4.066 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.382 0.087 5.918 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.324 1.123 3.540 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.193 -0.438 5.393 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.665 0.080 4.203 1.00 0.00 C ATOM 0 H PHE A 75 -9.875 3.185 7.355 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.969 3.179 6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.676 1.097 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.086 1.739 5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.012 2.456 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.792 -0.313 6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.918 1.521 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.684 -1.241 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.750 -0.325 3.797 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.510 4.118 4.683 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.864 5.120 3.648 1.00 0.00 C ATOM 1096 C TYR A 76 -10.132 6.452 4.348 1.00 0.00 C ATOM 1097 O TYR A 76 -10.077 7.494 3.742 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.110 4.680 2.875 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.207 5.487 1.599 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.085 5.622 0.769 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.413 6.106 1.249 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.171 6.376 -0.409 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.499 6.858 0.071 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.377 6.994 -0.757 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.462 7.739 -1.916 1.00 0.00 O ATOM 0 H TYR A 76 -10.240 3.444 4.911 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.044 5.220 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.054 3.616 2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.002 4.828 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.154 5.145 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.278 6.003 1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.307 6.480 -1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.430 7.333 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.369 8.098 -2.008 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.416 6.419 5.625 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.666 7.680 6.376 1.00 0.00 C ATOM 1117 C GLY A 77 -9.408 8.546 6.368 1.00 0.00 C ATOM 1118 O GLY A 77 -9.411 9.661 5.889 1.00 0.00 O ATOM 0 H GLY A 77 -10.485 5.566 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.496 8.224 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.955 7.452 7.402 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.334 8.042 6.912 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.072 8.841 6.960 1.00 0.00 C ATOM 1124 C LYS A 78 -6.561 9.091 5.547 1.00 0.00 C ATOM 1125 O LYS A 78 -5.763 9.968 5.317 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.020 8.096 7.793 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.681 7.439 9.021 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.781 8.347 9.597 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.859 8.162 11.115 1.00 0.00 C ATOM 1130 NZ LYS A 78 -6.653 8.764 11.752 1.00 0.00 N ATOM 0 H LYS A 78 -8.274 7.112 7.326 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.271 9.804 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.534 7.335 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.244 8.789 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.108 6.476 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.928 7.243 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.568 9.389 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.741 8.105 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.762 8.633 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.922 7.102 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.887 9.072 12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.891 8.057 11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.338 9.583 11.194 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.028 8.337 4.601 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.603 8.545 3.201 1.00 0.00 C ATOM 1146 C PHE A 79 -7.389 9.721 2.644 1.00 0.00 C ATOM 1147 O PHE A 79 -6.880 10.518 1.900 1.00 0.00 O ATOM 1148 CB PHE A 79 -6.910 7.272 2.421 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.778 7.471 0.921 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.760 8.183 0.216 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.697 6.905 0.226 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.661 8.324 -1.174 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.603 7.051 -1.156 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.582 7.755 -1.857 1.00 0.00 C ATOM 0 H PHE A 79 -7.694 7.577 4.741 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.537 8.759 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.233 6.480 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.922 6.941 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.593 8.623 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.938 6.356 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.417 8.871 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.769 6.617 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.506 7.861 -2.929 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.622 9.849 3.030 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.436 10.981 2.558 1.00 0.00 C ATOM 1166 C LYS A 80 -9.057 12.225 3.358 1.00 0.00 C ATOM 1167 O LYS A 80 -9.495 13.321 3.072 1.00 0.00 O ATOM 1168 CB LYS A 80 -10.911 10.669 2.784 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.577 10.326 1.451 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.518 11.462 1.046 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.952 11.096 1.429 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.869 11.451 0.311 1.00 0.00 N ATOM 0 H LYS A 80 -9.101 9.206 3.661 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.258 11.151 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.014 9.835 3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.408 11.525 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.820 10.175 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.133 9.393 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.223 12.387 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.451 11.639 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.021 10.030 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.244 11.626 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.845 11.202 0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.810 12.472 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.594 10.926 -0.544 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.236 12.059 4.360 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.817 13.229 5.179 1.00 0.00 C ATOM 1188 C GLU A 81 -6.482 13.719 4.645 1.00 0.00 C ATOM 1189 O GLU A 81 -6.248 14.900 4.484 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.672 12.807 6.642 1.00 0.00 C ATOM 1191 CG GLU A 81 -8.950 12.098 7.097 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.793 13.052 7.945 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.126 14.117 7.450 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.094 12.702 9.074 1.00 0.00 O ATOM 0 H GLU A 81 -7.839 11.164 4.645 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.561 14.024 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.815 12.144 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.486 13.680 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.521 11.765 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.698 11.208 7.674 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.612 12.802 4.348 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.283 13.178 3.793 1.00 0.00 C ATOM 1203 C GLY A 82 -4.499 13.740 2.392 1.00 0.00 C ATOM 1204 O GLY A 82 -3.887 14.713 1.995 1.00 0.00 O ATOM 0 H GLY A 82 -5.763 11.800 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.800 13.919 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.625 12.310 3.758 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.377 13.133 1.644 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.657 13.629 0.265 1.00 0.00 C ATOM 1210 C VAL A 83 -6.222 15.051 0.341 1.00 0.00 C ATOM 1211 O VAL A 83 -5.922 15.893 -0.482 1.00 0.00 O ATOM 1212 CB VAL A 83 -6.690 12.717 -0.404 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -6.996 13.235 -1.812 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.142 11.291 -0.496 1.00 0.00 C ATOM 0 H VAL A 83 -5.914 12.314 1.927 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.734 13.629 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.603 12.715 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.731 12.585 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.394 14.248 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.081 13.241 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.881 10.647 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.226 11.291 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.928 10.918 0.506 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.051 15.319 1.313 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.651 16.681 1.433 1.00 0.00 C ATOM 1226 C ALA A 84 -6.772 17.586 2.304 1.00 0.00 C ATOM 1227 O ALA A 84 -7.040 18.764 2.447 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.040 16.567 2.065 1.00 0.00 C ATOM 0 H ALA A 84 -7.340 14.654 2.030 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.726 17.119 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.482 17.560 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.675 15.942 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.954 16.118 3.054 1.00 0.00 H new ATOM 1234 N SER A 85 -5.732 17.061 2.894 1.00 0.00 N ATOM 1235 CA SER A 85 -4.862 17.918 3.752 1.00 0.00 C ATOM 1236 C SER A 85 -3.637 18.372 2.957 1.00 0.00 C ATOM 1237 O SER A 85 -3.005 19.358 3.284 1.00 0.00 O ATOM 1238 CB SER A 85 -4.404 17.120 4.975 1.00 0.00 C ATOM 1239 OG SER A 85 -3.856 18.012 5.938 1.00 0.00 O ATOM 0 H SER A 85 -5.448 16.084 2.821 1.00 0.00 H new ATOM 0 HA SER A 85 -5.428 18.792 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.245 16.575 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.660 16.379 4.683 1.00 0.00 H new ATOM 0 HG SER A 85 -2.904 18.149 5.752 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.291 17.663 1.918 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.102 18.057 1.110 1.00 0.00 C ATOM 1247 C GLY A 86 -0.841 17.496 1.769 1.00 0.00 C ATOM 1248 O GLY A 86 0.244 18.018 1.608 1.00 0.00 O ATOM 0 H GLY A 86 -3.780 16.828 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.196 17.677 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.038 19.143 1.040 1.00 0.00 H new ATOM 1252 N ASN A 87 -0.979 16.432 2.514 1.00 0.00 N ATOM 1253 CA ASN A 87 0.201 15.828 3.192 1.00 0.00 C ATOM 1254 C ASN A 87 -0.202 14.472 3.776 1.00 0.00 C ATOM 1255 O ASN A 87 -0.319 14.312 4.975 1.00 0.00 O ATOM 1256 CB ASN A 87 0.669 16.751 4.319 1.00 0.00 C ATOM 1257 CG ASN A 87 -0.514 17.077 5.231 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -1.488 17.662 4.798 1.00 0.00 O ATOM 1259 ND2 ASN A 87 -0.475 16.718 6.485 1.00 0.00 N ATOM 0 H ASN A 87 -1.864 15.954 2.682 1.00 0.00 H new ATOM 0 HA ASN A 87 1.012 15.695 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.463 16.271 4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.086 17.668 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.261 16.928 7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.341 16.227 6.850 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.429 13.499 2.936 1.00 0.00 N ATOM 1267 CA LEU A 88 -0.840 12.158 3.441 1.00 0.00 C ATOM 1268 C LEU A 88 0.330 11.487 4.162 1.00 0.00 C ATOM 1269 O LEU A 88 1.355 11.210 3.576 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.279 11.284 2.265 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.311 10.265 2.749 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.473 10.203 1.756 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.656 8.886 2.853 1.00 0.00 C ATOM 0 H LEU A 88 -0.348 13.575 1.922 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.668 12.279 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.705 11.904 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.418 10.771 1.837 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.685 10.565 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.208 9.476 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.940 11.185 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.099 9.903 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.391 8.159 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.281 8.586 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.828 8.929 3.561 1.00 0.00 H new ATOM 1285 N ASN A 89 0.176 11.222 5.429 1.00 0.00 N ATOM 1286 CA ASN A 89 1.268 10.557 6.197 1.00 0.00 C ATOM 1287 C ASN A 89 0.682 9.961 7.479 1.00 0.00 C ATOM 1288 O ASN A 89 0.750 10.559 8.535 1.00 0.00 O ATOM 1289 CB ASN A 89 2.348 11.584 6.551 1.00 0.00 C ATOM 1290 CG ASN A 89 3.707 10.885 6.628 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.776 9.677 6.735 1.00 0.00 O ATOM 1292 ND2 ASN A 89 4.798 11.598 6.577 1.00 0.00 N ATOM 0 H ASN A 89 -0.662 11.438 5.969 1.00 0.00 H new ATOM 0 HA ASN A 89 1.714 9.766 5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.375 12.374 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.116 12.058 7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.709 11.141 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.741 12.612 6.487 1.00 0.00 H new ATOM 1299 N THR A 90 0.094 8.795 7.401 1.00 0.00 N ATOM 1300 CA THR A 90 -0.505 8.189 8.627 1.00 0.00 C ATOM 1301 C THR A 90 -0.252 6.680 8.657 1.00 0.00 C ATOM 1302 O THR A 90 0.229 6.098 7.705 1.00 0.00 O ATOM 1303 CB THR A 90 -2.014 8.445 8.631 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.609 7.751 9.719 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.619 7.950 7.317 1.00 0.00 C ATOM 0 H THR A 90 0.003 8.241 6.550 1.00 0.00 H new ATOM 0 HA THR A 90 -0.044 8.643 9.505 1.00 0.00 H new ATOM 0 HB THR A 90 -2.201 9.514 8.736 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.575 7.916 9.723 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.694 8.132 7.320 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.163 8.483 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.433 6.881 7.210 1.00 0.00 H new ATOM 1313 N MET A 91 -0.584 6.046 9.750 1.00 0.00 N ATOM 1314 CA MET A 91 -0.380 4.575 9.863 1.00 0.00 C ATOM 1315 C MET A 91 -1.403 4.004 10.847 1.00 0.00 C ATOM 1316 O MET A 91 -2.098 4.737 11.523 1.00 0.00 O ATOM 1317 CB MET A 91 1.034 4.294 10.379 1.00 0.00 C ATOM 1318 CG MET A 91 1.290 5.112 11.646 1.00 0.00 C ATOM 1319 SD MET A 91 3.037 4.980 12.104 1.00 0.00 S ATOM 1320 CE MET A 91 2.787 4.454 13.818 1.00 0.00 C ATOM 0 H MET A 91 -0.990 6.488 10.574 1.00 0.00 H new ATOM 0 HA MET A 91 -0.507 4.109 8.886 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.150 3.231 10.591 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.768 4.549 9.615 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.024 6.156 11.478 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.661 4.750 12.459 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.754 4.311 14.300 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.224 5.218 14.354 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.232 3.516 13.833 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.501 2.705 10.945 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.483 2.108 11.904 1.00 0.00 C ATOM 1332 C PHE A 92 -2.418 0.582 11.834 1.00 0.00 C ATOM 1333 O PHE A 92 -2.077 0.012 10.825 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.903 2.573 11.564 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.170 2.357 10.096 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.423 1.069 9.611 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.152 3.444 9.220 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.651 0.871 8.241 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.388 3.248 7.855 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.635 1.963 7.366 1.00 0.00 C ATOM 0 H PHE A 92 -0.950 2.034 10.409 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.230 2.436 12.912 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.629 2.021 12.161 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.020 3.628 11.814 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.443 0.229 10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.956 4.437 9.596 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.839 -0.123 7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.379 4.090 7.179 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.814 1.812 6.312 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.747 -0.083 12.905 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.704 -1.572 12.897 1.00 0.00 C ATOM 1352 C GLU A 93 -3.947 -2.109 12.195 1.00 0.00 C ATOM 1353 O GLU A 93 -5.059 -1.915 12.645 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.664 -2.096 14.334 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.694 -3.276 14.417 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.055 -4.156 15.614 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.753 -3.761 16.729 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -2.625 -5.213 15.398 1.00 0.00 O ATOM 0 H GLU A 93 -3.044 0.339 13.785 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.811 -1.905 12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.349 -1.304 15.013 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.661 -2.407 14.647 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.737 -3.860 13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.671 -2.912 14.516 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.770 -2.779 11.093 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.945 -3.322 10.363 1.00 0.00 C ATOM 1367 C TYR A 94 -4.845 -4.844 10.292 1.00 0.00 C ATOM 1368 O TYR A 94 -3.867 -5.436 10.704 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.974 -2.748 8.946 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.346 -2.190 8.661 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.798 -1.062 9.354 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.167 -2.802 7.707 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.072 -0.545 9.094 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.441 -2.284 7.447 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.895 -1.155 8.140 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.150 -0.647 7.883 1.00 0.00 O ATOM 0 H TYR A 94 -2.864 -2.974 10.667 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.858 -3.043 10.889 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.222 -1.965 8.843 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.727 -3.524 8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.164 -0.590 10.090 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.818 -3.673 7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.421 0.325 9.630 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.075 -2.756 6.711 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.529 -1.093 7.097 1.00 0.00 H new ATOM 1386 N THR A 95 -5.852 -5.478 9.767 1.00 0.00 N ATOM 1387 CA THR A 95 -5.832 -6.962 9.655 1.00 0.00 C ATOM 1388 C THR A 95 -6.569 -7.368 8.380 1.00 0.00 C ATOM 1389 O THR A 95 -7.774 -7.236 8.281 1.00 0.00 O ATOM 1390 CB THR A 95 -6.530 -7.578 10.869 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.832 -7.210 12.051 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.542 -9.102 10.732 1.00 0.00 C ATOM 0 H THR A 95 -6.695 -5.030 9.408 1.00 0.00 H new ATOM 0 HA THR A 95 -4.802 -7.317 9.618 1.00 0.00 H new ATOM 0 HB THR A 95 -7.556 -7.213 10.925 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.279 -7.602 12.830 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.039 -9.541 11.597 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.078 -9.382 9.825 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.518 -9.470 10.677 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.861 -7.854 7.400 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.538 -8.255 6.134 1.00 0.00 C ATOM 1402 C PHE A 96 -7.066 -9.687 6.264 1.00 0.00 C ATOM 1403 O PHE A 96 -6.322 -10.621 6.475 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.551 -8.160 4.959 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.964 -6.760 4.867 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.685 -5.648 5.333 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.695 -6.578 4.302 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.137 -4.365 5.234 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.148 -5.291 4.206 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.869 -4.187 4.671 1.00 0.00 C ATOM 0 H PHE A 96 -4.850 -7.991 7.419 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.375 -7.582 5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.751 -8.888 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.060 -8.409 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.664 -5.784 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.138 -7.430 3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.693 -3.511 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.169 -5.152 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.447 -3.196 4.595 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.354 -9.857 6.135 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.961 -11.212 6.246 1.00 0.00 C ATOM 1422 C ASP A 97 -10.178 -11.263 5.327 1.00 0.00 C ATOM 1423 O ASP A 97 -11.287 -11.510 5.755 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.398 -11.469 7.692 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.114 -10.234 8.242 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -10.518 -9.402 7.446 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.249 -10.142 9.452 1.00 0.00 O ATOM 0 H ASP A 97 -9.019 -9.104 5.955 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.236 -11.974 5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.060 -12.334 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.530 -11.702 8.308 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.967 -10.991 4.072 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.092 -10.976 3.083 1.00 0.00 C ATOM 1434 C TYR A 98 -11.469 -12.399 2.639 1.00 0.00 C ATOM 1435 O TYR A 98 -11.292 -12.747 1.492 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.658 -10.172 1.846 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.256 -10.567 1.377 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.709 -11.831 1.675 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.505 -9.657 0.616 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.436 -12.171 1.220 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.221 -10.005 0.165 1.00 0.00 C ATOM 1442 CZ TYR A 98 -6.692 -11.264 0.470 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.435 -11.613 0.028 1.00 0.00 O ATOM 0 H TYR A 98 -9.051 -10.775 3.678 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.960 -10.521 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.371 -10.334 1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.677 -9.107 2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -9.278 -12.539 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.915 -8.687 0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.025 -13.143 1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.643 -9.302 -0.416 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.488 -11.914 -0.903 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.984 -13.217 3.521 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.367 -14.611 3.134 1.00 0.00 C ATOM 1455 C GLN A 99 -11.097 -15.466 2.951 1.00 0.00 C ATOM 1456 O GLN A 99 -11.091 -16.446 2.232 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.249 -14.572 1.852 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.469 -14.936 0.571 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.001 -14.111 -0.603 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -12.257 -13.395 -1.243 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.267 -14.180 -0.915 1.00 0.00 N ATOM 0 H GLN A 99 -12.157 -12.979 4.498 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.959 -15.075 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -14.084 -15.263 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.674 -13.575 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.406 -14.743 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.574 -16.000 0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.893 -14.781 -0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.630 -13.633 -1.695 1.00 0.00 H new ATOM 1470 N MET A 100 -10.028 -15.105 3.607 1.00 0.00 N ATOM 1471 CA MET A 100 -8.774 -15.891 3.479 1.00 0.00 C ATOM 1472 C MET A 100 -8.133 -16.011 4.858 1.00 0.00 C ATOM 1473 O MET A 100 -8.718 -15.642 5.856 1.00 0.00 O ATOM 1474 CB MET A 100 -7.813 -15.171 2.526 1.00 0.00 C ATOM 1475 CG MET A 100 -7.043 -16.199 1.690 1.00 0.00 C ATOM 1476 SD MET A 100 -5.261 -15.992 1.952 1.00 0.00 S ATOM 1477 CE MET A 100 -5.051 -14.470 0.992 1.00 0.00 C ATOM 0 H MET A 100 -9.972 -14.297 4.227 1.00 0.00 H new ATOM 0 HA MET A 100 -8.993 -16.882 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.370 -14.500 1.872 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.116 -14.555 3.094 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.346 -17.208 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.282 -16.075 0.634 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.111 -14.513 0.442 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.878 -14.366 0.289 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.038 -13.614 1.666 1.00 0.00 H new ATOM 1487 N THR A 101 -6.939 -16.521 4.926 1.00 0.00 N ATOM 1488 CA THR A 101 -6.274 -16.656 6.248 1.00 0.00 C ATOM 1489 C THR A 101 -6.186 -15.273 6.912 1.00 0.00 C ATOM 1490 O THR A 101 -6.298 -14.269 6.239 1.00 0.00 O ATOM 1491 CB THR A 101 -4.869 -17.232 6.049 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.087 -16.316 5.296 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.963 -18.560 5.298 1.00 0.00 C ATOM 0 H THR A 101 -6.396 -16.849 4.127 1.00 0.00 H new ATOM 0 HA THR A 101 -6.848 -17.326 6.888 1.00 0.00 H new ATOM 0 HB THR A 101 -4.402 -17.398 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.450 -16.245 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.963 -18.970 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.565 -19.262 5.875 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.429 -18.396 4.326 1.00 0.00 H new ATOM 1501 N PRO A 102 -5.988 -15.253 8.214 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.887 -13.992 8.966 1.00 0.00 C ATOM 1503 C PRO A 102 -4.528 -13.334 8.717 1.00 0.00 C ATOM 1504 O PRO A 102 -3.488 -13.932 8.913 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.044 -14.422 10.428 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.675 -15.922 10.484 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.843 -16.468 9.054 1.00 0.00 C ATOM 0 HA PRO A 102 -6.634 -13.254 8.673 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.392 -13.837 11.077 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.065 -14.260 10.773 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.651 -16.057 10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.322 -16.455 11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.980 -17.061 8.750 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.718 -17.114 8.975 1.00 0.00 H new ATOM 1515 N THR A 103 -4.534 -12.106 8.281 1.00 0.00 N ATOM 1516 CA THR A 103 -3.252 -11.399 8.011 1.00 0.00 C ATOM 1517 C THR A 103 -3.146 -10.178 8.918 1.00 0.00 C ATOM 1518 O THR A 103 -4.005 -9.320 8.927 1.00 0.00 O ATOM 1519 CB THR A 103 -3.211 -10.947 6.538 1.00 0.00 C ATOM 1520 OG1 THR A 103 -3.011 -12.080 5.704 1.00 0.00 O ATOM 1521 CG2 THR A 103 -2.067 -9.939 6.314 1.00 0.00 C ATOM 0 H THR A 103 -5.376 -11.559 8.099 1.00 0.00 H new ATOM 0 HA THR A 103 -2.418 -12.074 8.207 1.00 0.00 H new ATOM 0 HB THR A 103 -4.157 -10.465 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.986 -11.796 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.053 -9.631 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.222 -9.066 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.115 -10.406 6.567 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.082 -10.075 9.651 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.902 -8.889 10.517 1.00 0.00 C ATOM 1531 C LYS A 104 -0.816 -8.034 9.883 1.00 0.00 C ATOM 1532 O LYS A 104 0.169 -8.550 9.405 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.456 -9.319 11.917 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.778 -8.209 12.920 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.381 -8.820 14.189 1.00 0.00 C ATOM 1536 CE LYS A 104 -1.362 -8.742 15.327 1.00 0.00 C ATOM 1537 NZ LYS A 104 -1.828 -9.580 16.468 1.00 0.00 N ATOM 0 H LYS A 104 -1.328 -10.761 9.688 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.838 -8.338 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.962 -10.241 12.204 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.386 -9.528 11.921 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.873 -7.654 13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.477 -7.498 12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.291 -8.287 14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.661 -9.858 14.008 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.388 -9.088 14.982 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.238 -7.708 15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.136 -9.528 17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.749 -9.230 16.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.925 -10.568 16.157 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.977 -6.743 9.857 1.00 0.00 N ATOM 1552 CA VAL A 105 0.075 -5.891 9.235 1.00 0.00 C ATOM 1553 C VAL A 105 0.067 -4.501 9.864 1.00 0.00 C ATOM 1554 O VAL A 105 -0.977 -3.921 10.087 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.198 -5.726 7.729 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.446 -7.094 7.093 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.428 -4.828 7.484 1.00 0.00 C ATOM 0 H VAL A 105 -1.782 -6.243 10.235 1.00 0.00 H new ATOM 0 HA VAL A 105 1.038 -6.375 9.396 1.00 0.00 H new ATOM 0 HB VAL A 105 0.676 -5.257 7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.639 -6.970 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.432 -7.725 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.309 -7.564 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.598 -4.728 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.305 -5.277 7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.251 -3.843 7.916 1.00 0.00 H new ATOM 1567 N LYS A 106 1.214 -3.923 10.052 1.00 0.00 N ATOM 1568 CA LYS A 106 1.235 -2.525 10.548 1.00 0.00 C ATOM 1569 C LYS A 106 1.245 -1.707 9.268 1.00 0.00 C ATOM 1570 O LYS A 106 1.993 -1.998 8.371 1.00 0.00 O ATOM 1571 CB LYS A 106 2.470 -2.239 11.423 1.00 0.00 C ATOM 1572 CG LYS A 106 3.757 -2.620 10.694 1.00 0.00 C ATOM 1573 CD LYS A 106 4.262 -3.969 11.219 1.00 0.00 C ATOM 1574 CE LYS A 106 4.776 -3.801 12.651 1.00 0.00 C ATOM 1575 NZ LYS A 106 5.980 -4.660 12.858 1.00 0.00 N ATOM 0 H LYS A 106 2.126 -4.349 9.887 1.00 0.00 H new ATOM 0 HA LYS A 106 0.390 -2.293 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.496 -1.182 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.397 -2.798 12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.575 -2.680 9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.515 -1.852 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.458 -4.705 11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.059 -4.346 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.026 -2.757 12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 106 3.996 -4.074 13.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.854 -5.233 13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.104 -5.287 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.822 -4.058 12.964 1.00 0.00 H new ATOM 1589 N VAL A 107 0.363 -0.774 9.114 1.00 0.00 N ATOM 1590 CA VAL A 107 0.301 -0.051 7.808 1.00 0.00 C ATOM 1591 C VAL A 107 1.052 1.282 7.869 1.00 0.00 C ATOM 1592 O VAL A 107 1.233 1.860 8.925 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.193 0.203 7.450 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.046 -0.987 7.879 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.720 1.470 8.149 1.00 0.00 C ATOM 0 H VAL A 107 -0.312 -0.477 9.818 1.00 0.00 H new ATOM 0 HA VAL A 107 0.778 -0.665 7.044 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.258 0.338 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.089 -0.798 7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.703 -1.885 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.956 -1.130 8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.765 1.625 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.635 1.352 9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.133 2.332 7.831 1.00 0.00 H new ATOM 1605 N HIS A 108 1.408 1.802 6.730 1.00 0.00 N ATOM 1606 CA HIS A 108 2.066 3.136 6.683 1.00 0.00 C ATOM 1607 C HIS A 108 1.859 3.696 5.285 1.00 0.00 C ATOM 1608 O HIS A 108 2.522 3.309 4.353 1.00 0.00 O ATOM 1609 CB HIS A 108 3.553 3.032 6.996 1.00 0.00 C ATOM 1610 CG HIS A 108 3.955 4.275 7.734 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.015 4.306 8.625 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.424 5.540 7.734 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.088 5.556 9.121 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.141 6.349 8.609 1.00 0.00 N ATOM 0 H HIS A 108 1.271 1.357 5.822 1.00 0.00 H new ATOM 0 HA HIS A 108 1.628 3.793 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.755 2.147 7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.130 2.930 6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.578 5.859 7.144 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.822 5.879 9.844 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.979 7.335 8.816 1.00 0.00 H new ATOM 1622 N MET A 109 0.914 4.580 5.130 1.00 0.00 N ATOM 1623 CA MET A 109 0.617 5.137 3.776 1.00 0.00 C ATOM 1624 C MET A 109 1.029 6.610 3.727 1.00 0.00 C ATOM 1625 O MET A 109 0.934 7.310 4.716 1.00 0.00 O ATOM 1626 CB MET A 109 -0.901 5.027 3.489 1.00 0.00 C ATOM 1627 CG MET A 109 -1.575 3.987 4.409 1.00 0.00 C ATOM 1628 SD MET A 109 -2.234 4.821 5.873 1.00 0.00 S ATOM 1629 CE MET A 109 -3.814 5.323 5.148 1.00 0.00 C ATOM 0 H MET A 109 0.331 4.944 5.884 1.00 0.00 H new ATOM 0 HA MET A 109 1.173 4.573 3.027 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.371 6.000 3.632 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.056 4.748 2.447 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.377 3.478 3.875 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.854 3.225 4.704 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.428 5.804 5.910 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.634 6.023 4.332 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.334 4.445 4.764 1.00 0.00 H new ATOM 1639 N LYS A 110 1.483 7.107 2.595 1.00 0.00 N ATOM 1640 CA LYS A 110 1.879 8.546 2.553 1.00 0.00 C ATOM 1641 C LYS A 110 1.396 9.165 1.242 1.00 0.00 C ATOM 1642 O LYS A 110 0.553 8.616 0.565 1.00 0.00 O ATOM 1643 CB LYS A 110 3.403 8.658 2.655 1.00 0.00 C ATOM 1644 CG LYS A 110 3.793 9.844 3.543 1.00 0.00 C ATOM 1645 CD LYS A 110 5.318 9.904 3.663 1.00 0.00 C ATOM 1646 CE LYS A 110 5.770 11.365 3.718 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.075 11.842 2.339 1.00 0.00 N ATOM 0 H LYS A 110 1.593 6.590 1.723 1.00 0.00 H new ATOM 0 HA LYS A 110 1.426 9.078 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.815 7.737 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.832 8.783 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.413 10.773 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.343 9.738 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.644 9.378 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.780 9.401 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.990 11.982 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.652 11.461 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.382 12.835 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.833 11.260 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.222 11.765 1.748 1.00 0.00 H new ATOM 1661 N LYS A 111 1.918 10.299 0.875 1.00 0.00 N ATOM 1662 CA LYS A 111 1.486 10.934 -0.395 1.00 0.00 C ATOM 1663 C LYS A 111 2.563 10.703 -1.452 1.00 0.00 C ATOM 1664 O LYS A 111 3.689 11.138 -1.315 1.00 0.00 O ATOM 1665 CB LYS A 111 1.280 12.432 -0.185 1.00 0.00 C ATOM 1666 CG LYS A 111 0.801 13.059 -1.492 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.682 13.419 -1.376 1.00 0.00 C ATOM 1668 CE LYS A 111 -0.858 14.925 -1.580 1.00 0.00 C ATOM 1669 NZ LYS A 111 -0.199 15.659 -0.464 1.00 0.00 N ATOM 0 H LYS A 111 2.625 10.813 1.400 1.00 0.00 H new ATOM 0 HA LYS A 111 0.544 10.495 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.548 12.604 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.211 12.898 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.386 13.951 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.953 12.364 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.260 12.870 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.063 13.127 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.424 15.226 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.918 15.176 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.433 16.670 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.535 15.283 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.832 15.537 -0.529 1.00 0.00 H new ATOM 1683 N ALA A 112 2.229 10.004 -2.498 1.00 0.00 N ATOM 1684 CA ALA A 112 3.233 9.721 -3.558 1.00 0.00 C ATOM 1685 C ALA A 112 3.538 10.981 -4.358 1.00 0.00 C ATOM 1686 O ALA A 112 2.830 11.960 -4.281 1.00 0.00 O ATOM 1687 CB ALA A 112 2.674 8.679 -4.500 1.00 0.00 C ATOM 0 H ALA A 112 1.301 9.615 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 112 4.149 9.365 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.404 8.465 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.458 7.766 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.756 9.054 -4.954 1.00 0.00 H new ATOM 1693 N LEU A 113 4.585 10.951 -5.136 1.00 0.00 N ATOM 1694 CA LEU A 113 4.945 12.141 -5.951 1.00 0.00 C ATOM 1695 C LEU A 113 5.206 13.328 -5.023 1.00 0.00 C ATOM 1696 O LEU A 113 5.195 14.468 -5.442 1.00 0.00 O ATOM 1697 CB LEU A 113 3.802 12.476 -6.912 1.00 0.00 C ATOM 1698 CG LEU A 113 3.899 11.582 -8.148 1.00 0.00 C ATOM 1699 CD1 LEU A 113 2.914 10.420 -8.014 1.00 0.00 C ATOM 1700 CD2 LEU A 113 3.558 12.396 -9.398 1.00 0.00 C ATOM 0 H LEU A 113 5.208 10.150 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 113 5.844 11.927 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.842 12.329 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.853 13.525 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 113 4.913 11.193 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.982 9.782 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.156 9.838 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.900 10.811 -7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.628 11.757 -10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.544 12.787 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.259 13.225 -9.495 1.00 0.00 H new ATOM 1712 N SER A 114 5.439 13.071 -3.761 1.00 0.00 N ATOM 1713 CA SER A 114 5.699 14.187 -2.808 1.00 0.00 C ATOM 1714 C SER A 114 4.565 15.209 -2.898 1.00 0.00 C ATOM 1715 O SER A 114 4.762 16.387 -2.676 1.00 0.00 O ATOM 1716 CB SER A 114 7.021 14.866 -3.165 1.00 0.00 C ATOM 1717 OG SER A 114 8.003 13.873 -3.426 1.00 0.00 O ATOM 0 H SER A 114 5.460 12.137 -3.352 1.00 0.00 H new ATOM 0 HA SER A 114 5.755 13.791 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.891 15.504 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.346 15.509 -2.347 1.00 0.00 H new ATOM 0 HG SER A 114 7.757 13.042 -2.969 1.00 0.00 H new ATOM 1723 N GLY A 115 3.378 14.773 -3.224 1.00 0.00 N ATOM 1724 CA GLY A 115 2.247 15.740 -3.327 1.00 0.00 C ATOM 1725 C GLY A 115 1.454 15.474 -4.606 1.00 0.00 C ATOM 1726 O GLY A 115 1.333 16.331 -5.458 1.00 0.00 O ATOM 0 H GLY A 115 3.144 13.800 -3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.596 15.646 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 115 2.629 16.761 -3.330 1.00 0.00 H new ATOM 1730 N ASP A 116 0.910 14.297 -4.752 1.00 0.00 N ATOM 1731 CA ASP A 116 0.128 13.999 -5.984 1.00 0.00 C ATOM 1732 C ASP A 116 -0.714 12.736 -5.784 1.00 0.00 C ATOM 1733 O ASP A 116 -1.925 12.771 -5.885 1.00 0.00 O ATOM 1734 CB ASP A 116 1.085 13.794 -7.160 1.00 0.00 C ATOM 1735 CG ASP A 116 0.512 14.472 -8.405 1.00 0.00 C ATOM 1736 OD1 ASP A 116 -0.691 14.407 -8.592 1.00 0.00 O ATOM 1737 OD2 ASP A 116 1.288 15.046 -9.153 1.00 0.00 O ATOM 0 H ASP A 116 0.972 13.535 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.536 14.838 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.064 14.211 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.228 12.729 -7.345 1.00 0.00 H new ATOM 1742 N SER A 117 -0.094 11.616 -5.518 1.00 0.00 N ATOM 1743 CA SER A 117 -0.889 10.365 -5.335 1.00 0.00 C ATOM 1744 C SER A 117 -0.944 9.970 -3.854 1.00 0.00 C ATOM 1745 O SER A 117 -0.710 10.773 -2.973 1.00 0.00 O ATOM 1746 CB SER A 117 -0.258 9.233 -6.145 1.00 0.00 C ATOM 1747 OG SER A 117 0.344 9.771 -7.315 1.00 0.00 O ATOM 0 H SER A 117 0.916 11.513 -5.420 1.00 0.00 H new ATOM 0 HA SER A 117 -1.906 10.545 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.488 8.713 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.016 8.499 -6.417 1.00 0.00 H new ATOM 0 HG SER A 117 0.609 9.040 -7.912 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.271 8.733 -3.584 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.372 8.255 -2.166 1.00 0.00 C ATOM 1755 C TYR A 118 -1.011 6.768 -2.138 1.00 0.00 C ATOM 1756 O TYR A 118 -1.638 5.970 -2.808 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.820 8.426 -1.675 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.403 9.687 -2.233 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.131 10.918 -1.636 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.216 9.613 -3.361 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.679 12.084 -2.175 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.764 10.769 -3.901 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.498 12.012 -3.311 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.044 13.162 -3.844 1.00 0.00 O ATOM 0 H TYR A 118 -1.475 8.025 -4.289 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.700 8.826 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.421 7.570 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.842 8.456 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.500 10.969 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.421 8.655 -3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.472 13.040 -1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.395 10.710 -4.775 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.902 12.951 -4.268 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.009 6.375 -1.391 1.00 0.00 N ATOM 1775 CA TRP A 119 0.348 4.930 -1.379 1.00 0.00 C ATOM 1776 C TRP A 119 0.249 4.324 0.017 1.00 0.00 C ATOM 1777 O TRP A 119 0.513 4.957 1.007 1.00 0.00 O ATOM 1778 CB TRP A 119 1.734 4.718 -1.993 1.00 0.00 C ATOM 1779 CG TRP A 119 2.752 5.648 -1.435 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.316 6.671 -2.089 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.372 5.601 -0.148 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.255 7.268 -1.270 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.325 6.632 -0.049 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.180 4.761 0.924 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.082 6.807 1.105 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.932 4.917 2.096 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.887 5.941 2.186 1.00 0.00 C ATOM 0 H TRP A 119 0.564 6.980 -0.802 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.381 4.402 -1.993 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.052 3.690 -1.819 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.674 4.855 -3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.076 6.980 -3.096 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.822 8.074 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.443 3.974 0.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.811 7.601 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.776 4.249 2.930 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.470 6.060 3.087 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.162 3.082 0.082 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.315 2.391 1.396 1.00 0.00 C ATOM 1800 C VAL A 120 0.653 1.204 1.474 1.00 0.00 C ATOM 1801 O VAL A 120 0.507 0.223 0.771 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.761 1.886 1.539 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.964 1.321 2.944 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.729 3.050 1.312 1.00 0.00 C ATOM 0 H VAL A 120 -0.400 2.512 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.089 3.090 2.201 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.951 1.105 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.988 0.963 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.272 0.495 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.777 2.102 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.755 2.695 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.540 3.829 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.582 3.456 0.311 1.00 0.00 H new ATOM 1814 N PHE A 121 1.639 1.284 2.331 1.00 0.00 N ATOM 1815 CA PHE A 121 2.611 0.160 2.464 1.00 0.00 C ATOM 1816 C PHE A 121 2.186 -0.742 3.610 1.00 0.00 C ATOM 1817 O PHE A 121 1.968 -0.293 4.714 1.00 0.00 O ATOM 1818 CB PHE A 121 4.026 0.696 2.745 1.00 0.00 C ATOM 1819 CG PHE A 121 4.477 1.635 1.638 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.790 1.684 0.414 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.586 2.462 1.845 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.209 2.559 -0.593 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.000 3.338 0.839 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.312 3.388 -0.379 1.00 0.00 C ATOM 0 H PHE A 121 1.812 2.080 2.944 1.00 0.00 H new ATOM 0 HA PHE A 121 2.624 -0.400 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.038 1.221 3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.725 -0.136 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 121 2.936 1.044 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.122 2.423 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.681 2.594 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.854 3.979 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.634 4.068 -1.154 1.00 0.00 H new ATOM 1834 N VAL A 122 2.056 -2.011 3.362 1.00 0.00 N ATOM 1835 CA VAL A 122 1.633 -2.924 4.449 1.00 0.00 C ATOM 1836 C VAL A 122 2.818 -3.776 4.909 1.00 0.00 C ATOM 1837 O VAL A 122 3.371 -4.558 4.166 1.00 0.00 O ATOM 1838 CB VAL A 122 0.465 -3.801 3.929 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.533 -5.246 4.458 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.852 -3.174 4.380 1.00 0.00 C ATOM 0 H VAL A 122 2.224 -2.453 2.458 1.00 0.00 H new ATOM 0 HA VAL A 122 1.288 -2.355 5.313 1.00 0.00 H new ATOM 0 HB VAL A 122 0.538 -3.844 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.307 -5.818 4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.467 -5.707 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.487 -5.237 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.685 -3.779 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.879 -3.128 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.934 -2.167 3.972 1.00 0.00 H new ATOM 1850 N LYS A 123 3.165 -3.650 6.151 1.00 0.00 N ATOM 1851 CA LYS A 123 4.275 -4.471 6.721 1.00 0.00 C ATOM 1852 C LYS A 123 3.670 -5.759 7.259 1.00 0.00 C ATOM 1853 O LYS A 123 2.963 -5.743 8.248 1.00 0.00 O ATOM 1854 CB LYS A 123 4.925 -3.719 7.880 1.00 0.00 C ATOM 1855 CG LYS A 123 6.429 -3.999 7.930 1.00 0.00 C ATOM 1856 CD LYS A 123 7.106 -3.486 6.661 1.00 0.00 C ATOM 1857 CE LYS A 123 8.485 -2.921 7.008 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.205 -3.886 7.887 1.00 0.00 N ATOM 0 H LYS A 123 2.726 -3.007 6.810 1.00 0.00 H new ATOM 0 HA LYS A 123 5.024 -4.676 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.753 -2.649 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.463 -4.019 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.867 -3.517 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.603 -5.070 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.205 -4.295 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.492 -2.715 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.058 -2.743 6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.381 -1.960 7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.229 -3.806 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.994 -3.673 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.895 -4.854 7.667 1.00 0.00 H new ATOM 1872 N ARG A 124 3.915 -6.876 6.627 1.00 0.00 N ATOM 1873 CA ARG A 124 3.305 -8.128 7.153 1.00 0.00 C ATOM 1874 C ARG A 124 3.948 -8.483 8.491 1.00 0.00 C ATOM 1875 O ARG A 124 5.123 -8.781 8.578 1.00 0.00 O ATOM 1876 CB ARG A 124 3.490 -9.271 6.152 1.00 0.00 C ATOM 1877 CG ARG A 124 2.712 -10.496 6.635 1.00 0.00 C ATOM 1878 CD ARG A 124 2.834 -11.620 5.604 1.00 0.00 C ATOM 1879 NE ARG A 124 3.770 -12.662 6.111 1.00 0.00 N ATOM 1880 CZ ARG A 124 4.988 -12.727 5.648 1.00 0.00 C ATOM 1881 NH1 ARG A 124 5.891 -11.881 6.066 1.00 0.00 N ATOM 1882 NH2 ARG A 124 5.306 -13.637 4.769 1.00 0.00 N ATOM 0 H ARG A 124 4.494 -6.975 5.793 1.00 0.00 H new ATOM 0 HA ARG A 124 2.236 -7.973 7.300 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.137 -8.967 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.548 -9.514 6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.099 -10.829 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 124 1.664 -10.238 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.855 -12.059 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.196 -11.221 4.657 1.00 0.00 H new ATOM 0 HE ARG A 124 3.458 -13.325 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.644 -11.170 6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.843 -11.931 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.602 -14.299 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 124 6.259 -13.686 4.408 1.00 0.00 H new ATOM 1896 N VAL A 125 3.171 -8.444 9.537 1.00 0.00 N ATOM 1897 CA VAL A 125 3.706 -8.768 10.893 1.00 0.00 C ATOM 1898 C VAL A 125 3.608 -10.276 11.122 1.00 0.00 C ATOM 1899 O VAL A 125 4.577 -10.963 10.845 1.00 0.00 O ATOM 1900 CB VAL A 125 2.909 -8.037 12.000 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.885 -7.429 13.000 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.055 -6.903 11.427 1.00 0.00 C ATOM 1903 OXT VAL A 125 2.563 -10.720 11.570 1.00 0.00 O ATOM 0 H VAL A 125 2.181 -8.200 9.513 1.00 0.00 H new ATOM 0 HA VAL A 125 4.744 -8.439 10.941 1.00 0.00 H new ATOM 0 HB VAL A 125 2.254 -8.768 12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.329 -6.912 13.783 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.489 -8.219 13.445 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.535 -6.720 12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.510 -6.414 12.235 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.699 -6.177 10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.346 -7.310 10.706 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.632 -5.719 3.604 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.237 -6.768 3.496 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.354 -5.389 2.874 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -6.850 -6.281 2.070 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.551 -6.030 1.359 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.013 -7.039 0.542 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -3.782 -6.821 -0.102 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.104 -5.595 0.075 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.649 -4.590 0.887 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -4.873 -4.808 1.534 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -2.037 -5.400 -0.475 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.299 -4.033 2.171 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.123 -3.644 1.014 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -3.352 -7.596 -0.736 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.377 -7.222 1.911 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -5.545 -7.981 0.409 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -6.864 -4.426 3.016 1.00 0.00 H new