USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 LYS NZ :NH3+ -133:sc= -0.0351! (180deg=-1.51!) USER MOD Set 1.2: A 112 ASN : amide:sc= 0 K(o=-0.035,f=-0.72) USER MOD Set 2.1: A 15 TYR OH : rot 27:sc= 0.0767 USER MOD Set 2.2: A 46 SER OG : rot 73:sc= 1.47 USER MOD Set 3.1: A 8 GLN : amide:sc= 1.01 K(o=1.9,f=-8.1!) USER MOD Set 3.2: A 12 LYS NZ :NH3+ 153:sc= 0.876 (180deg=-0.103) USER MOD Single : A 1 SER N :NH3+ -170:sc=-0.00742 (180deg=-0.15) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -169:sc= -2.24 (180deg=-2.4!) USER MOD Single : A 3 ASN : amide:sc= -0.752 K(o=-0.75,f=-2.8!) USER MOD Single : A 9 THR OG1 : rot -56:sc= 0.39 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0568 F(o=-1.5!,f=-0.057) USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.103 (180deg=-0.506) USER MOD Single : A 26 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.17) USER MOD Single : A 28 SER OG : rot 180:sc= 0.383 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 118:sc= 0.914 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0081 USER MOD Single : A 59 CYS SG : rot -132:sc= -2.6! USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 ASN : amide:sc= -2.17 K(o=-2.2,f=-6.5!) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= -0.0229 (180deg=-0.155) USER MOD Single : A 78 ASN :FLIP amide:sc=-0.00784 F(o=-1,f=-0.0078) USER MOD Single : A 81 SER OG : rot 180:sc=0.000689 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-1.6) USER MOD Single : A 87 TYR OH : rot 180:sc= -1.67! USER MOD Single : A 92 TYR OH : rot -132:sc= -0.0397 USER MOD Single : A 94 TYR OH : rot 65:sc= 0.541 USER MOD Single : A 96 MET CE :methyl -143:sc= -0.0899 (180deg=-1.04) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 99 SER OG : rot 162:sc= 0.743 USER MOD Single : A 102 ASN : amide:sc= -2.31! C(o=-2.3!,f=-7.1!) USER MOD Single : A 105 CYS SG : rot 180:sc= 0.152 USER MOD Single : A 106 ASN : amide:sc= 0.995 K(o=0.99,f=-6.6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.12) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.130 15.211 -4.566 1.00 0.00 N ATOM 2 CA SER A 1 4.661 14.255 -3.578 1.00 0.00 C ATOM 3 C SER A 1 5.398 13.101 -4.269 1.00 0.00 C ATOM 4 O SER A 1 6.362 12.566 -3.727 1.00 0.00 O ATOM 5 CB SER A 1 3.515 13.724 -2.711 1.00 0.00 C ATOM 6 OG SER A 1 2.766 14.795 -2.152 1.00 0.00 O ATOM 0 H1 SER A 1 3.787 16.062 -4.076 1.00 0.00 H new ATOM 0 H2 SER A 1 4.883 15.475 -5.233 1.00 0.00 H new ATOM 0 H3 SER A 1 3.345 14.771 -5.087 1.00 0.00 H new ATOM 0 HA SER A 1 5.380 14.771 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.861 13.092 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.916 13.100 -1.913 1.00 0.00 H new ATOM 0 HG SER A 1 2.038 14.434 -1.604 1.00 0.00 H new ATOM 14 N MET A 2 4.952 12.737 -5.478 1.00 0.00 N ATOM 15 CA MET A 2 5.558 11.629 -6.236 1.00 0.00 C ATOM 16 C MET A 2 7.063 11.847 -6.417 1.00 0.00 C ATOM 17 O MET A 2 7.845 10.894 -6.434 1.00 0.00 O ATOM 18 CB MET A 2 4.868 11.484 -7.603 1.00 0.00 C ATOM 19 CG MET A 2 3.402 11.070 -7.510 1.00 0.00 C ATOM 20 SD MET A 2 2.535 11.155 -9.095 1.00 0.00 S ATOM 21 CE MET A 2 3.481 9.999 -10.086 1.00 0.00 C ATOM 0 H MET A 2 4.173 13.192 -5.954 1.00 0.00 H new ATOM 0 HA MET A 2 5.417 10.708 -5.670 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.935 12.432 -8.136 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.408 10.746 -8.196 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.342 10.052 -7.125 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.895 11.713 -6.791 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.188 10.092 -11.132 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.544 10.219 -9.986 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.287 8.982 -9.744 1.00 0.00 H new ATOM 31 N ASN A 3 7.454 13.112 -6.535 1.00 0.00 N ATOM 32 CA ASN A 3 8.864 13.498 -6.644 1.00 0.00 C ATOM 33 C ASN A 3 9.665 12.953 -5.455 1.00 0.00 C ATOM 34 O ASN A 3 10.780 12.450 -5.613 1.00 0.00 O ATOM 35 CB ASN A 3 8.966 15.034 -6.724 1.00 0.00 C ATOM 36 CG ASN A 3 10.389 15.562 -6.885 1.00 0.00 C ATOM 37 OD1 ASN A 3 11.345 15.010 -6.349 1.00 0.00 O ATOM 38 ND2 ASN A 3 10.534 16.643 -7.636 1.00 0.00 N ATOM 0 H ASN A 3 6.807 13.900 -6.558 1.00 0.00 H new ATOM 0 HA ASN A 3 9.289 13.068 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.364 15.383 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.532 15.463 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.462 17.041 -7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.718 17.078 -8.067 1.00 0.00 H new ATOM 45 N GLU A 4 9.067 13.021 -4.268 1.00 0.00 N ATOM 46 CA GLU A 4 9.719 12.557 -3.045 1.00 0.00 C ATOM 47 C GLU A 4 9.993 11.054 -3.109 1.00 0.00 C ATOM 48 O GLU A 4 10.875 10.545 -2.421 1.00 0.00 O ATOM 49 CB GLU A 4 8.859 12.897 -1.822 1.00 0.00 C ATOM 50 CG GLU A 4 8.603 14.389 -1.657 1.00 0.00 C ATOM 51 CD GLU A 4 7.729 14.710 -0.459 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.258 14.766 0.673 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.512 14.919 -0.641 1.00 0.00 O ATOM 0 H GLU A 4 8.128 13.394 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 4 10.676 13.070 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.903 12.379 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.350 12.519 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.557 14.907 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.128 14.773 -2.560 1.00 0.00 H new ATOM 60 N LEU A 5 9.227 10.348 -3.940 1.00 0.00 N ATOM 61 CA LEU A 5 9.478 8.932 -4.192 1.00 0.00 C ATOM 62 C LEU A 5 10.582 8.796 -5.237 1.00 0.00 C ATOM 63 O LEU A 5 11.473 7.955 -5.113 1.00 0.00 O ATOM 64 CB LEU A 5 8.203 8.219 -4.674 1.00 0.00 C ATOM 65 CG LEU A 5 8.329 6.692 -4.834 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.527 6.021 -3.478 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.114 6.109 -5.556 1.00 0.00 C ATOM 0 H LEU A 5 8.431 10.733 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 5 9.791 8.461 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.399 8.430 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.907 8.646 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 5 9.208 6.492 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.614 4.943 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.436 6.402 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.673 6.238 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.232 5.030 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.212 6.325 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.030 6.556 -6.547 1.00 0.00 H new ATOM 79 N GLU A 6 10.522 9.658 -6.255 1.00 0.00 N ATOM 80 CA GLU A 6 11.512 9.667 -7.338 1.00 0.00 C ATOM 81 C GLU A 6 12.819 10.307 -6.848 1.00 0.00 C ATOM 82 O GLU A 6 13.777 10.463 -7.603 1.00 0.00 O ATOM 83 CB GLU A 6 10.945 10.403 -8.570 1.00 0.00 C ATOM 84 CG GLU A 6 11.447 9.877 -9.924 1.00 0.00 C ATOM 85 CD GLU A 6 12.793 10.449 -10.355 1.00 0.00 C ATOM 86 OE1 GLU A 6 12.819 11.601 -10.835 1.00 0.00 O ATOM 87 OE2 GLU A 6 13.825 9.750 -10.242 1.00 0.00 O ATOM 0 H GLU A 6 9.793 10.364 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 6 11.733 8.642 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.858 10.332 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.197 11.461 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.526 8.791 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.705 10.107 -10.689 1.00 0.00 H new ATOM 94 N ALA A 7 12.831 10.710 -5.575 1.00 0.00 N ATOM 95 CA ALA A 7 14.067 11.099 -4.892 1.00 0.00 C ATOM 96 C ALA A 7 15.177 10.089 -5.192 1.00 0.00 C ATOM 97 O ALA A 7 16.349 10.453 -5.323 1.00 0.00 O ATOM 98 CB ALA A 7 13.833 11.213 -3.389 1.00 0.00 C ATOM 0 H ALA A 7 11.995 10.775 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 7 14.379 12.075 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 7 14.762 11.503 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.070 11.967 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.500 10.251 -2.999 1.00 0.00 H new ATOM 104 N GLN A 8 14.794 8.817 -5.300 1.00 0.00 N ATOM 105 CA GLN A 8 15.689 7.773 -5.797 1.00 0.00 C ATOM 106 C GLN A 8 15.402 7.574 -7.286 1.00 0.00 C ATOM 107 O GLN A 8 14.244 7.586 -7.699 1.00 0.00 O ATOM 108 CB GLN A 8 15.474 6.470 -5.017 1.00 0.00 C ATOM 109 CG GLN A 8 15.711 6.614 -3.516 1.00 0.00 C ATOM 110 CD GLN A 8 15.417 5.338 -2.746 1.00 0.00 C ATOM 111 OE1 GLN A 8 14.287 5.109 -2.308 1.00 0.00 O ATOM 112 NE2 GLN A 8 16.424 4.499 -2.573 1.00 0.00 N ATOM 0 H GLN A 8 13.864 8.484 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 8 16.729 8.067 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.456 6.119 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.143 5.705 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.747 6.906 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.084 7.418 -3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.345 4.723 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.280 3.628 -2.062 1.00 0.00 H new ATOM 121 N THR A 9 16.437 7.350 -8.088 1.00 0.00 N ATOM 122 CA THR A 9 16.300 7.479 -9.537 1.00 0.00 C ATOM 123 C THR A 9 16.638 6.193 -10.299 1.00 0.00 C ATOM 124 O THR A 9 17.511 5.420 -9.904 1.00 0.00 O ATOM 125 CB THR A 9 17.164 8.654 -10.049 1.00 0.00 C ATOM 126 OG1 THR A 9 16.720 9.866 -9.418 1.00 0.00 O ATOM 127 CG2 THR A 9 17.075 8.812 -11.565 1.00 0.00 C ATOM 0 H THR A 9 17.368 7.082 -7.768 1.00 0.00 H new ATOM 0 HA THR A 9 15.247 7.681 -9.734 1.00 0.00 H new ATOM 0 HB THR A 9 18.204 8.444 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.764 9.993 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.698 9.649 -11.881 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.423 7.899 -12.047 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.040 9.001 -11.851 1.00 0.00 H new ATOM 135 N ARG A 10 15.885 5.984 -11.383 1.00 0.00 N ATOM 136 CA ARG A 10 16.044 4.862 -12.318 1.00 0.00 C ATOM 137 C ARG A 10 15.734 3.513 -11.657 1.00 0.00 C ATOM 138 O ARG A 10 15.821 2.463 -12.291 1.00 0.00 O ATOM 139 CB ARG A 10 17.467 4.895 -12.924 1.00 0.00 C ATOM 140 CG ARG A 10 17.688 3.957 -14.114 1.00 0.00 C ATOM 141 CD ARG A 10 18.374 2.658 -13.710 1.00 0.00 C ATOM 142 NE ARG A 10 18.477 1.723 -14.831 1.00 0.00 N ATOM 143 CZ ARG A 10 18.256 0.411 -14.732 1.00 0.00 C ATOM 144 NH1 ARG A 10 17.921 -0.126 -13.563 1.00 0.00 N ATOM 145 NH2 ARG A 10 18.371 -0.360 -15.803 1.00 0.00 N ATOM 0 H ARG A 10 15.123 6.610 -11.644 1.00 0.00 H new ATOM 0 HA ARG A 10 15.318 4.975 -13.123 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.687 5.915 -13.239 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.184 4.641 -12.143 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.728 3.729 -14.577 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.292 4.465 -14.866 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.371 2.878 -13.328 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.817 2.191 -12.898 1.00 0.00 H new ATOM 0 HE ARG A 10 18.734 2.097 -15.744 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.832 0.466 -12.737 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.753 -1.130 -13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.628 0.050 -16.701 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.203 -1.363 -15.730 1.00 0.00 H new ATOM 159 N VAL A 11 15.312 3.552 -10.402 1.00 0.00 N ATOM 160 CA VAL A 11 14.722 2.390 -9.750 1.00 0.00 C ATOM 161 C VAL A 11 13.246 2.664 -9.494 1.00 0.00 C ATOM 162 O VAL A 11 12.390 1.790 -9.635 1.00 0.00 O ATOM 163 CB VAL A 11 15.454 2.035 -8.428 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.409 3.199 -7.437 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.872 0.762 -7.813 1.00 0.00 C ATOM 0 H VAL A 11 15.367 4.381 -9.811 1.00 0.00 H new ATOM 0 HA VAL A 11 14.829 1.528 -10.409 1.00 0.00 H new ATOM 0 HB VAL A 11 16.502 1.848 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.930 2.918 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.893 4.071 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.371 3.439 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.399 0.531 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.814 0.912 -7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.988 -0.066 -8.513 1.00 0.00 H new ATOM 175 N LYS A 12 12.963 3.914 -9.137 1.00 0.00 N ATOM 176 CA LYS A 12 11.608 4.359 -8.860 1.00 0.00 C ATOM 177 C LYS A 12 10.855 4.646 -10.153 1.00 0.00 C ATOM 178 O LYS A 12 9.634 4.628 -10.166 1.00 0.00 O ATOM 179 CB LYS A 12 11.637 5.612 -7.976 1.00 0.00 C ATOM 180 CG LYS A 12 12.175 5.363 -6.568 1.00 0.00 C ATOM 181 CD LYS A 12 11.248 4.459 -5.760 1.00 0.00 C ATOM 182 CE LYS A 12 11.647 4.394 -4.288 1.00 0.00 C ATOM 183 NZ LYS A 12 12.974 3.760 -4.089 1.00 0.00 N ATOM 0 H LYS A 12 13.669 4.643 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 12 11.086 3.561 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.251 6.372 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.628 6.016 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.163 4.907 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.296 6.315 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.224 4.825 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.262 3.455 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.663 5.402 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.893 3.834 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.405 4.124 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.859 2.729 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.590 3.983 -4.897 1.00 0.00 H new ATOM 197 N LEU A 13 11.589 4.900 -11.237 1.00 0.00 N ATOM 198 CA LEU A 13 10.970 5.203 -12.532 1.00 0.00 C ATOM 199 C LEU A 13 10.081 4.053 -12.993 1.00 0.00 C ATOM 200 O LEU A 13 8.902 4.255 -13.284 1.00 0.00 O ATOM 201 CB LEU A 13 12.035 5.517 -13.601 1.00 0.00 C ATOM 202 CG LEU A 13 12.506 6.980 -13.659 1.00 0.00 C ATOM 203 CD1 LEU A 13 11.361 7.905 -14.062 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.098 7.413 -12.325 1.00 0.00 C ATOM 0 H LEU A 13 12.609 4.903 -11.246 1.00 0.00 H new ATOM 0 HA LEU A 13 10.349 6.089 -12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.902 4.882 -13.422 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.636 5.243 -14.578 1.00 0.00 H new ATOM 0 HG LEU A 13 13.285 7.051 -14.418 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.719 8.934 -14.096 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.990 7.617 -15.046 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.555 7.825 -13.333 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.424 8.451 -12.391 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.343 7.319 -11.544 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.951 6.780 -12.083 1.00 0.00 H new ATOM 216 N ASN A 14 10.645 2.849 -13.050 1.00 0.00 N ATOM 217 CA ASN A 14 9.879 1.667 -13.459 1.00 0.00 C ATOM 218 C ASN A 14 8.666 1.468 -12.548 1.00 0.00 C ATOM 219 O ASN A 14 7.523 1.380 -13.015 1.00 0.00 O ATOM 220 CB ASN A 14 10.761 0.409 -13.432 1.00 0.00 C ATOM 221 CG ASN A 14 10.012 -0.845 -13.866 1.00 0.00 C ATOM 222 OD1 ASN A 14 9.102 -0.786 -14.695 1.00 0.00 O ATOM 223 ND2 ASN A 14 10.390 -1.988 -13.312 1.00 0.00 N ATOM 0 H ASN A 14 11.621 2.663 -12.821 1.00 0.00 H new ATOM 0 HA ASN A 14 9.532 1.830 -14.479 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.620 0.559 -14.086 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.149 0.264 -12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.923 -2.858 -13.568 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.148 -1.998 -12.629 1.00 0.00 H new ATOM 230 N TYR A 15 8.929 1.426 -11.242 1.00 0.00 N ATOM 231 CA TYR A 15 7.882 1.210 -10.247 1.00 0.00 C ATOM 232 C TYR A 15 6.798 2.280 -10.360 1.00 0.00 C ATOM 233 O TYR A 15 5.613 1.970 -10.303 1.00 0.00 O ATOM 234 CB TYR A 15 8.475 1.206 -8.827 1.00 0.00 C ATOM 235 CG TYR A 15 7.448 0.964 -7.728 1.00 0.00 C ATOM 236 CD1 TYR A 15 7.123 -0.328 -7.319 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.799 2.027 -7.103 1.00 0.00 C ATOM 238 CE1 TYR A 15 6.184 -0.550 -6.327 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.862 1.811 -6.109 1.00 0.00 C ATOM 240 CZ TYR A 15 5.557 0.522 -5.726 1.00 0.00 C ATOM 241 OH TYR A 15 4.620 0.307 -4.740 1.00 0.00 O ATOM 0 H TYR A 15 9.863 1.539 -10.848 1.00 0.00 H new ATOM 0 HA TYR A 15 7.430 0.237 -10.440 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.244 0.436 -8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.967 2.162 -8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.613 -1.171 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.032 3.039 -7.400 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.943 -1.558 -6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.371 2.648 -5.635 1.00 0.00 H new ATOM 0 HH TYR A 15 4.808 -0.543 -4.290 1.00 0.00 H new ATOM 251 N LEU A 16 7.215 3.531 -10.540 1.00 0.00 N ATOM 252 CA LEU A 16 6.290 4.663 -10.559 1.00 0.00 C ATOM 253 C LEU A 16 5.427 4.632 -11.817 1.00 0.00 C ATOM 254 O LEU A 16 4.203 4.773 -11.744 1.00 0.00 O ATOM 255 CB LEU A 16 7.060 5.990 -10.475 1.00 0.00 C ATOM 256 CG LEU A 16 6.196 7.246 -10.266 1.00 0.00 C ATOM 257 CD1 LEU A 16 5.424 7.160 -8.951 1.00 0.00 C ATOM 258 CD2 LEU A 16 7.060 8.506 -10.309 1.00 0.00 C ATOM 0 H LEU A 16 8.193 3.788 -10.676 1.00 0.00 H new ATOM 0 HA LEU A 16 5.637 4.584 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.776 5.923 -9.656 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.635 6.115 -11.392 1.00 0.00 H new ATOM 0 HG LEU A 16 5.472 7.302 -11.079 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.820 8.059 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.774 6.285 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.126 7.075 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.431 9.384 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.811 8.459 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.555 8.575 -11.278 1.00 0.00 H new ATOM 270 N ASP A 17 6.074 4.436 -12.965 1.00 0.00 N ATOM 271 CA ASP A 17 5.373 4.358 -14.245 1.00 0.00 C ATOM 272 C ASP A 17 4.283 3.301 -14.173 1.00 0.00 C ATOM 273 O ASP A 17 3.131 3.549 -14.529 1.00 0.00 O ATOM 274 CB ASP A 17 6.352 4.019 -15.380 1.00 0.00 C ATOM 275 CG ASP A 17 5.693 4.036 -16.756 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.088 3.015 -17.155 1.00 0.00 O ATOM 277 OD2 ASP A 17 5.793 5.069 -17.454 1.00 0.00 O ATOM 0 H ASP A 17 7.086 4.328 -13.034 1.00 0.00 H new ATOM 0 HA ASP A 17 4.923 5.329 -14.453 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.176 4.733 -15.368 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.782 3.033 -15.200 1.00 0.00 H new ATOM 282 N GLN A 18 4.662 2.128 -13.675 1.00 0.00 N ATOM 283 CA GLN A 18 3.748 0.998 -13.551 1.00 0.00 C ATOM 284 C GLN A 18 2.646 1.276 -12.523 1.00 0.00 C ATOM 285 O GLN A 18 1.457 1.119 -12.814 1.00 0.00 O ATOM 286 CB GLN A 18 4.534 -0.249 -13.134 1.00 0.00 C ATOM 287 CG GLN A 18 3.690 -1.513 -13.010 1.00 0.00 C ATOM 288 CD GLN A 18 4.442 -2.654 -12.348 1.00 0.00 C ATOM 289 OE1 GLN A 18 5.314 -2.322 -11.405 1.00 0.00 O flip ATOM 290 NE2 GLN A 18 4.225 -3.825 -12.663 1.00 0.00 N flip ATOM 0 H GLN A 18 5.608 1.934 -13.347 1.00 0.00 H new ATOM 0 HA GLN A 18 3.273 0.838 -14.519 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.325 -0.425 -13.862 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.019 -0.055 -12.177 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.792 -1.291 -12.433 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.362 -1.825 -14.001 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.546 -4.039 -13.394 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.724 -4.580 -12.193 1.00 0.00 H new ATOM 299 N ILE A 19 3.060 1.703 -11.329 1.00 0.00 N ATOM 300 CA ILE A 19 2.149 1.878 -10.194 1.00 0.00 C ATOM 301 C ILE A 19 1.143 2.995 -10.474 1.00 0.00 C ATOM 302 O ILE A 19 0.081 3.067 -9.853 1.00 0.00 O ATOM 303 CB ILE A 19 2.932 2.186 -8.883 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.096 1.838 -7.644 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.374 3.646 -8.835 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.947 0.349 -7.414 1.00 0.00 C ATOM 0 H ILE A 19 4.031 1.937 -11.121 1.00 0.00 H new ATOM 0 HA ILE A 19 1.609 0.941 -10.060 1.00 0.00 H new ATOM 0 HB ILE A 19 3.824 1.560 -8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.558 2.289 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.106 2.282 -7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.918 3.831 -7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.022 3.858 -9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.498 4.293 -8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.345 0.177 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.457 -0.105 -8.275 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.932 -0.099 -7.279 1.00 0.00 H new ATOM 318 N ALA A 20 1.497 3.878 -11.399 1.00 0.00 N ATOM 319 CA ALA A 20 0.584 4.911 -11.859 1.00 0.00 C ATOM 320 C ALA A 20 -0.278 4.372 -12.995 1.00 0.00 C ATOM 321 O ALA A 20 -1.498 4.493 -12.972 1.00 0.00 O ATOM 322 CB ALA A 20 1.359 6.146 -12.314 1.00 0.00 C ATOM 0 H ALA A 20 2.414 3.897 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.065 5.202 -11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.660 6.909 -12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.944 6.536 -11.481 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.028 5.875 -13.131 1.00 0.00 H new ATOM 328 N LYS A 21 0.375 3.732 -13.959 1.00 0.00 N ATOM 329 CA LYS A 21 -0.278 3.273 -15.185 1.00 0.00 C ATOM 330 C LYS A 21 -1.439 2.325 -14.889 1.00 0.00 C ATOM 331 O LYS A 21 -2.584 2.619 -15.232 1.00 0.00 O ATOM 332 CB LYS A 21 0.755 2.587 -16.095 1.00 0.00 C ATOM 333 CG LYS A 21 0.247 2.230 -17.488 1.00 0.00 C ATOM 334 CD LYS A 21 -0.154 3.468 -18.287 1.00 0.00 C ATOM 335 CE LYS A 21 -0.352 3.149 -19.765 1.00 0.00 C ATOM 336 NZ LYS A 21 0.908 2.684 -20.406 1.00 0.00 N ATOM 0 H LYS A 21 1.371 3.516 -13.915 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.692 4.143 -15.694 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.620 3.242 -16.197 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.101 1.676 -15.606 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.022 1.686 -18.028 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.610 1.562 -17.401 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.076 3.882 -17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.614 4.234 -18.180 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.118 2.381 -19.871 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.716 4.037 -20.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.850 2.832 -21.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.711 3.223 -20.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.045 1.672 -20.209 1.00 0.00 H new ATOM 350 N PHE A 22 -1.146 1.196 -14.242 1.00 0.00 N ATOM 351 CA PHE A 22 -2.171 0.185 -13.962 1.00 0.00 C ATOM 352 C PHE A 22 -3.356 0.802 -13.219 1.00 0.00 C ATOM 353 O PHE A 22 -4.514 0.489 -13.502 1.00 0.00 O ATOM 354 CB PHE A 22 -1.575 -0.980 -13.150 1.00 0.00 C ATOM 355 CG PHE A 22 -2.612 -1.934 -12.593 1.00 0.00 C ATOM 356 CD1 PHE A 22 -3.255 -2.853 -13.413 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.948 -1.900 -11.248 1.00 0.00 C ATOM 358 CE1 PHE A 22 -4.209 -3.713 -12.897 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.896 -2.756 -10.727 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.530 -3.665 -11.552 1.00 0.00 C ATOM 0 H PHE A 22 -0.214 0.958 -13.903 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.531 -0.205 -14.914 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.886 -1.538 -13.785 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.990 -0.573 -12.325 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.008 -2.897 -14.463 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.459 -1.191 -10.597 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.703 -4.422 -13.545 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.142 -2.716 -9.676 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.274 -4.336 -11.148 1.00 0.00 H new ATOM 370 N TRP A 23 -3.052 1.696 -12.289 1.00 0.00 N ATOM 371 CA TRP A 23 -4.069 2.299 -11.441 1.00 0.00 C ATOM 372 C TRP A 23 -4.878 3.356 -12.196 1.00 0.00 C ATOM 373 O TRP A 23 -6.098 3.447 -12.034 1.00 0.00 O ATOM 374 CB TRP A 23 -3.420 2.898 -10.189 1.00 0.00 C ATOM 375 CG TRP A 23 -4.398 3.509 -9.227 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.241 4.674 -8.542 1.00 0.00 C ATOM 377 CD2 TRP A 23 -5.682 2.991 -8.845 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.347 4.924 -7.770 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.244 3.902 -7.932 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.412 1.846 -9.186 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.500 3.706 -7.361 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.655 1.654 -8.620 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.189 2.578 -7.714 1.00 0.00 C ATOM 0 H TRP A 23 -2.103 2.021 -12.102 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.765 1.517 -11.137 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.859 2.118 -9.674 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.702 3.659 -10.493 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.370 5.311 -8.598 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.480 5.739 -7.172 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.008 1.125 -9.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.915 4.419 -6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.226 0.775 -8.880 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.164 2.397 -7.285 1.00 0.00 H new ATOM 394 N GLU A 24 -4.215 4.145 -13.035 1.00 0.00 N ATOM 395 CA GLU A 24 -4.902 5.199 -13.771 1.00 0.00 C ATOM 396 C GLU A 24 -5.796 4.589 -14.846 1.00 0.00 C ATOM 397 O GLU A 24 -6.931 5.026 -15.054 1.00 0.00 O ATOM 398 CB GLU A 24 -3.902 6.192 -14.382 1.00 0.00 C ATOM 399 CG GLU A 24 -3.120 6.985 -13.336 1.00 0.00 C ATOM 400 CD GLU A 24 -2.168 8.004 -13.945 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.156 7.601 -14.547 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.419 9.223 -13.808 1.00 0.00 O ATOM 0 H GLU A 24 -3.214 4.076 -13.221 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.528 5.755 -13.073 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.200 5.648 -15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.439 6.887 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.822 7.500 -12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.552 6.293 -12.714 1.00 0.00 H new ATOM 409 N ILE A 25 -5.292 3.541 -15.494 1.00 0.00 N ATOM 410 CA ILE A 25 -6.043 2.845 -16.538 1.00 0.00 C ATOM 411 C ILE A 25 -7.148 1.981 -15.919 1.00 0.00 C ATOM 412 O ILE A 25 -8.000 1.431 -16.621 1.00 0.00 O ATOM 413 CB ILE A 25 -5.103 1.986 -17.427 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.952 2.853 -17.969 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.868 1.336 -18.580 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.407 4.114 -18.681 1.00 0.00 C ATOM 0 H ILE A 25 -4.365 3.154 -15.315 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.509 3.595 -17.177 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.689 1.188 -16.811 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.300 3.131 -17.141 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.355 2.255 -18.658 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.181 0.742 -19.183 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.650 0.691 -18.180 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.318 2.111 -19.200 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.536 4.668 -19.032 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.034 3.846 -19.532 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.978 4.735 -17.991 1.00 0.00 H new ATOM 428 N GLN A 26 -7.138 1.881 -14.593 1.00 0.00 N ATOM 429 CA GLN A 26 -8.218 1.232 -13.853 1.00 0.00 C ATOM 430 C GLN A 26 -9.394 2.209 -13.687 1.00 0.00 C ATOM 431 O GLN A 26 -10.363 1.933 -12.973 1.00 0.00 O ATOM 432 CB GLN A 26 -7.698 0.745 -12.487 1.00 0.00 C ATOM 433 CG GLN A 26 -8.702 -0.075 -11.676 1.00 0.00 C ATOM 434 CD GLN A 26 -9.215 -1.296 -12.421 1.00 0.00 C ATOM 435 OE1 GLN A 26 -8.638 -2.382 -12.341 1.00 0.00 O ATOM 436 NE2 GLN A 26 -10.311 -1.130 -13.145 1.00 0.00 N ATOM 0 H GLN A 26 -6.388 2.244 -14.004 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.573 0.364 -14.408 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.804 0.143 -12.648 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.397 1.612 -11.898 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.233 -0.395 -10.746 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.546 0.559 -11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.761 -0.216 -13.187 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.705 -1.917 -13.661 1.00 0.00 H new ATOM 445 N GLY A 27 -9.300 3.352 -14.369 1.00 0.00 N ATOM 446 CA GLY A 27 -10.343 4.360 -14.308 1.00 0.00 C ATOM 447 C GLY A 27 -10.188 5.246 -13.092 1.00 0.00 C ATOM 448 O GLY A 27 -11.171 5.711 -12.517 1.00 0.00 O ATOM 0 H GLY A 27 -8.511 3.596 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.313 4.971 -15.210 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.319 3.874 -14.284 1.00 0.00 H new ATOM 452 N SER A 28 -8.941 5.487 -12.712 1.00 0.00 N ATOM 453 CA SER A 28 -8.629 6.204 -11.483 1.00 0.00 C ATOM 454 C SER A 28 -7.380 7.062 -11.670 1.00 0.00 C ATOM 455 O SER A 28 -6.915 7.254 -12.796 1.00 0.00 O ATOM 456 CB SER A 28 -8.424 5.198 -10.347 1.00 0.00 C ATOM 457 OG SER A 28 -9.545 4.337 -10.223 1.00 0.00 O ATOM 0 H SER A 28 -8.121 5.193 -13.243 1.00 0.00 H new ATOM 0 HA SER A 28 -9.459 6.864 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.527 4.608 -10.536 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.264 5.730 -9.409 1.00 0.00 H new ATOM 0 HG SER A 28 -9.388 3.698 -9.497 1.00 0.00 H new ATOM 463 N SER A 29 -6.869 7.610 -10.576 1.00 0.00 N ATOM 464 CA SER A 29 -5.624 8.364 -10.596 1.00 0.00 C ATOM 465 C SER A 29 -4.817 8.052 -9.338 1.00 0.00 C ATOM 466 O SER A 29 -5.389 7.784 -8.274 1.00 0.00 O ATOM 467 CB SER A 29 -5.920 9.863 -10.706 1.00 0.00 C ATOM 468 OG SER A 29 -6.852 10.273 -9.716 1.00 0.00 O ATOM 0 H SER A 29 -7.303 7.545 -9.655 1.00 0.00 H new ATOM 0 HA SER A 29 -5.034 8.073 -11.465 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.995 10.429 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.315 10.087 -11.697 1.00 0.00 H new ATOM 0 HG SER A 29 -7.023 11.234 -9.806 1.00 0.00 H new ATOM 474 N LEU A 30 -3.493 8.067 -9.461 1.00 0.00 N ATOM 475 CA LEU A 30 -2.617 7.728 -8.347 1.00 0.00 C ATOM 476 C LEU A 30 -2.541 8.887 -7.355 1.00 0.00 C ATOM 477 O LEU A 30 -1.640 9.731 -7.422 1.00 0.00 O ATOM 478 CB LEU A 30 -1.219 7.343 -8.854 1.00 0.00 C ATOM 479 CG LEU A 30 -0.245 6.830 -7.779 1.00 0.00 C ATOM 480 CD1 LEU A 30 -0.795 5.577 -7.098 1.00 0.00 C ATOM 481 CD2 LEU A 30 1.126 6.554 -8.389 1.00 0.00 C ATOM 0 H LEU A 30 -3.004 8.311 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.035 6.865 -7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.328 6.574 -9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.774 8.213 -9.338 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.135 7.605 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.088 5.234 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.749 5.809 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.941 4.793 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.802 6.192 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.032 5.800 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.525 7.473 -8.818 1.00 0.00 H new ATOM 493 N LYS A 31 -3.522 8.941 -6.463 1.00 0.00 N ATOM 494 CA LYS A 31 -3.586 9.971 -5.436 1.00 0.00 C ATOM 495 C LYS A 31 -3.048 9.420 -4.117 1.00 0.00 C ATOM 496 O LYS A 31 -3.775 8.791 -3.345 1.00 0.00 O ATOM 497 CB LYS A 31 -5.030 10.466 -5.271 1.00 0.00 C ATOM 498 CG LYS A 31 -5.174 11.655 -4.325 1.00 0.00 C ATOM 499 CD LYS A 31 -6.626 12.113 -4.208 1.00 0.00 C ATOM 500 CE LYS A 31 -6.761 13.342 -3.319 1.00 0.00 C ATOM 501 NZ LYS A 31 -8.176 13.775 -3.183 1.00 0.00 N ATOM 0 H LYS A 31 -4.293 8.274 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.968 10.817 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.422 10.744 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.645 9.645 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.798 11.383 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.560 12.481 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.018 12.337 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.231 11.302 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.352 13.123 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.170 14.158 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.225 14.614 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.559 14.008 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.735 13.006 -2.762 1.00 0.00 H new ATOM 515 N ILE A 32 -1.756 9.624 -3.893 1.00 0.00 N ATOM 516 CA ILE A 32 -1.089 9.154 -2.682 1.00 0.00 C ATOM 517 C ILE A 32 -0.794 10.325 -1.735 1.00 0.00 C ATOM 518 O ILE A 32 0.091 11.142 -1.999 1.00 0.00 O ATOM 519 CB ILE A 32 0.215 8.379 -3.025 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.058 9.152 -4.061 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.117 6.974 -3.531 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.288 8.405 -4.540 1.00 0.00 C ATOM 0 H ILE A 32 -1.142 10.117 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.763 8.465 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 32 0.808 8.285 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.431 9.387 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.369 10.101 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.806 6.445 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.661 6.429 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.733 7.046 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.825 9.016 -5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.938 8.193 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.985 7.468 -5.008 1.00 0.00 H new ATOM 534 N PRO A 33 -1.574 10.442 -0.637 1.00 0.00 N ATOM 535 CA PRO A 33 -1.424 11.523 0.354 1.00 0.00 C ATOM 536 C PRO A 33 -0.128 11.420 1.167 1.00 0.00 C ATOM 537 O PRO A 33 0.722 10.557 0.915 1.00 0.00 O ATOM 538 CB PRO A 33 -2.654 11.348 1.273 1.00 0.00 C ATOM 539 CG PRO A 33 -3.576 10.445 0.523 1.00 0.00 C ATOM 540 CD PRO A 33 -2.686 9.547 -0.285 1.00 0.00 C ATOM 0 HA PRO A 33 -1.368 12.498 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.371 10.914 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.127 12.307 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.201 9.868 1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.247 11.015 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.348 8.685 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.193 9.161 -1.169 1.00 0.00 H new ATOM 548 N ASN A 34 0.009 12.304 2.155 1.00 0.00 N ATOM 549 CA ASN A 34 1.203 12.357 2.994 1.00 0.00 C ATOM 550 C ASN A 34 0.840 12.600 4.447 1.00 0.00 C ATOM 551 O ASN A 34 -0.217 13.156 4.762 1.00 0.00 O ATOM 552 CB ASN A 34 2.172 13.447 2.505 1.00 0.00 C ATOM 553 CG ASN A 34 1.585 14.849 2.582 1.00 0.00 C ATOM 554 OD1 ASN A 34 1.680 15.519 3.610 1.00 0.00 O ATOM 555 ND2 ASN A 34 0.988 15.308 1.491 1.00 0.00 N ATOM 0 H ASN A 34 -0.699 12.998 2.394 1.00 0.00 H new ATOM 0 HA ASN A 34 1.699 11.389 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.083 13.408 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.457 13.235 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.588 16.246 1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.929 14.723 0.658 1.00 0.00 H new ATOM 562 N VAL A 35 1.727 12.153 5.320 1.00 0.00 N ATOM 563 CA VAL A 35 1.592 12.343 6.754 1.00 0.00 C ATOM 564 C VAL A 35 2.978 12.572 7.359 1.00 0.00 C ATOM 565 O VAL A 35 3.953 11.967 6.908 1.00 0.00 O ATOM 566 CB VAL A 35 0.899 11.125 7.431 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.642 9.828 7.123 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.769 11.333 8.939 1.00 0.00 C ATOM 0 H VAL A 35 2.569 11.643 5.051 1.00 0.00 H new ATOM 0 HA VAL A 35 0.961 13.214 6.932 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.105 11.043 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.135 8.994 7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.658 9.665 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.664 9.897 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.281 10.466 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.760 11.457 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.173 12.225 9.133 1.00 0.00 H new ATOM 578 N GLU A 36 3.072 13.470 8.348 1.00 0.00 N ATOM 579 CA GLU A 36 4.359 13.816 8.967 1.00 0.00 C ATOM 580 C GLU A 36 5.279 14.493 7.951 1.00 0.00 C ATOM 581 O GLU A 36 6.505 14.505 8.100 1.00 0.00 O ATOM 582 CB GLU A 36 5.035 12.576 9.566 1.00 0.00 C ATOM 583 CG GLU A 36 4.247 11.933 10.703 1.00 0.00 C ATOM 584 CD GLU A 36 3.986 12.897 11.852 1.00 0.00 C ATOM 585 OE1 GLU A 36 4.875 13.051 12.718 1.00 0.00 O ATOM 586 OE2 GLU A 36 2.896 13.516 11.888 1.00 0.00 O ATOM 0 H GLU A 36 2.273 13.970 8.737 1.00 0.00 H new ATOM 0 HA GLU A 36 4.165 14.517 9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.184 11.838 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.023 12.854 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.296 11.566 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.795 11.068 11.077 1.00 0.00 H new ATOM 593 N ARG A 37 4.653 15.047 6.916 1.00 0.00 N ATOM 594 CA ARG A 37 5.338 15.676 5.785 1.00 0.00 C ATOM 595 C ARG A 37 6.055 14.627 4.938 1.00 0.00 C ATOM 596 O ARG A 37 6.852 14.960 4.058 1.00 0.00 O ATOM 597 CB ARG A 37 6.318 16.783 6.231 1.00 0.00 C ATOM 598 CG ARG A 37 5.642 18.018 6.838 1.00 0.00 C ATOM 599 CD ARG A 37 5.304 17.828 8.314 1.00 0.00 C ATOM 600 NE ARG A 37 6.511 17.704 9.139 1.00 0.00 N ATOM 601 CZ ARG A 37 6.522 17.269 10.401 1.00 0.00 C ATOM 602 NH1 ARG A 37 5.398 16.887 10.990 1.00 0.00 N ATOM 603 NH2 ARG A 37 7.662 17.219 11.077 1.00 0.00 N ATOM 0 H ARG A 37 3.636 15.073 6.836 1.00 0.00 H new ATOM 0 HA ARG A 37 4.573 16.157 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.010 16.366 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.912 17.094 5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.299 18.881 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.729 18.239 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.711 18.674 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.689 16.936 8.434 1.00 0.00 H new ATOM 0 HE ARG A 37 7.402 17.968 8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.516 16.924 10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.415 16.556 11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.532 17.513 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.669 16.886 12.041 1.00 0.00 H new ATOM 617 N ARG A 38 5.748 13.360 5.196 1.00 0.00 N ATOM 618 CA ARG A 38 6.285 12.251 4.418 1.00 0.00 C ATOM 619 C ARG A 38 5.197 11.683 3.514 1.00 0.00 C ATOM 620 O ARG A 38 4.104 11.360 3.980 1.00 0.00 O ATOM 621 CB ARG A 38 6.821 11.142 5.340 1.00 0.00 C ATOM 622 CG ARG A 38 7.194 9.864 4.590 1.00 0.00 C ATOM 623 CD ARG A 38 7.721 8.767 5.507 1.00 0.00 C ATOM 624 NE ARG A 38 7.972 7.525 4.763 1.00 0.00 N ATOM 625 CZ ARG A 38 9.016 6.717 4.960 1.00 0.00 C ATOM 626 NH1 ARG A 38 9.939 7.015 5.863 1.00 0.00 N ATOM 627 NH2 ARG A 38 9.139 5.612 4.235 1.00 0.00 N ATOM 0 H ARG A 38 5.121 13.074 5.948 1.00 0.00 H new ATOM 0 HA ARG A 38 7.110 12.625 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.697 11.512 5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.067 10.908 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.319 9.494 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.950 10.097 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.643 9.100 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.000 8.578 6.303 1.00 0.00 H new ATOM 0 HE ARG A 38 7.299 7.261 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.855 7.869 6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.733 6.391 6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.437 5.383 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.935 4.992 4.382 1.00 0.00 H new ATOM 641 N ILE A 39 5.494 11.576 2.224 1.00 0.00 N ATOM 642 CA ILE A 39 4.576 10.949 1.280 1.00 0.00 C ATOM 643 C ILE A 39 4.413 9.471 1.617 1.00 0.00 C ATOM 644 O ILE A 39 5.378 8.815 2.023 1.00 0.00 O ATOM 645 CB ILE A 39 5.074 11.079 -0.184 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.168 10.275 -1.140 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.530 10.624 -0.300 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.686 10.187 -2.560 1.00 0.00 C ATOM 0 H ILE A 39 6.362 11.915 1.808 1.00 0.00 H new ATOM 0 HA ILE A 39 3.620 11.466 1.365 1.00 0.00 H new ATOM 0 HB ILE A 39 5.023 12.129 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.048 9.266 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.178 10.731 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.861 10.723 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.157 11.243 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.611 9.582 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.991 9.606 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.779 11.190 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.662 9.702 -2.562 1.00 0.00 H new ATOM 660 N LEU A 40 3.200 8.954 1.464 1.00 0.00 N ATOM 661 CA LEU A 40 2.961 7.533 1.651 1.00 0.00 C ATOM 662 C LEU A 40 3.639 6.760 0.521 1.00 0.00 C ATOM 663 O LEU A 40 3.057 6.548 -0.546 1.00 0.00 O ATOM 664 CB LEU A 40 1.454 7.227 1.691 1.00 0.00 C ATOM 665 CG LEU A 40 1.094 5.756 1.958 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.629 5.305 3.315 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.417 5.548 1.872 1.00 0.00 C ATOM 0 H LEU A 40 2.373 9.495 1.213 1.00 0.00 H new ATOM 0 HA LEU A 40 3.383 7.223 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.994 7.843 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.013 7.526 0.740 1.00 0.00 H new ATOM 0 HG LEU A 40 1.566 5.144 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.363 4.261 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.714 5.410 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.193 5.922 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.652 4.501 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.913 6.173 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.766 5.821 0.876 1.00 0.00 H new ATOM 679 N ASP A 41 4.891 6.382 0.751 1.00 0.00 N ATOM 680 CA ASP A 41 5.679 5.671 -0.247 1.00 0.00 C ATOM 681 C ASP A 41 5.234 4.215 -0.333 1.00 0.00 C ATOM 682 O ASP A 41 5.696 3.349 0.417 1.00 0.00 O ATOM 683 CB ASP A 41 7.188 5.794 0.043 1.00 0.00 C ATOM 684 CG ASP A 41 7.575 5.411 1.465 1.00 0.00 C ATOM 685 OD1 ASP A 41 7.104 6.072 2.417 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.393 4.486 1.638 1.00 0.00 O ATOM 0 H ASP A 41 5.384 6.558 1.626 1.00 0.00 H new ATOM 0 HA ASP A 41 5.505 6.132 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.735 5.161 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.502 6.821 -0.145 1.00 0.00 H new ATOM 691 N LEU A 42 4.307 3.975 -1.257 1.00 0.00 N ATOM 692 CA LEU A 42 3.681 2.671 -1.452 1.00 0.00 C ATOM 693 C LEU A 42 4.709 1.553 -1.550 1.00 0.00 C ATOM 694 O LEU A 42 4.466 0.444 -1.094 1.00 0.00 O ATOM 695 CB LEU A 42 2.829 2.703 -2.724 1.00 0.00 C ATOM 696 CG LEU A 42 2.011 1.429 -3.011 1.00 0.00 C ATOM 697 CD1 LEU A 42 1.217 1.007 -1.781 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.077 1.640 -4.204 1.00 0.00 C ATOM 0 H LEU A 42 3.966 4.690 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 42 3.056 2.466 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.142 3.547 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.485 2.891 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 42 2.709 0.630 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.647 0.106 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.902 0.806 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.533 1.807 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.510 0.728 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.389 2.457 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.666 1.886 -5.088 1.00 0.00 H new ATOM 710 N TYR A 43 5.847 1.864 -2.152 1.00 0.00 N ATOM 711 CA TYR A 43 6.925 0.892 -2.359 1.00 0.00 C ATOM 712 C TYR A 43 7.226 0.111 -1.068 1.00 0.00 C ATOM 713 O TYR A 43 7.132 -1.125 -1.031 1.00 0.00 O ATOM 714 CB TYR A 43 8.190 1.615 -2.850 1.00 0.00 C ATOM 715 CG TYR A 43 9.075 0.784 -3.765 1.00 0.00 C ATOM 716 CD1 TYR A 43 9.260 -0.580 -3.560 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.722 1.372 -4.846 1.00 0.00 C ATOM 718 CE1 TYR A 43 10.061 -1.327 -4.401 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.526 0.633 -5.689 1.00 0.00 C ATOM 720 CZ TYR A 43 10.692 -0.717 -5.463 1.00 0.00 C ATOM 721 OH TYR A 43 11.499 -1.459 -6.296 1.00 0.00 O ATOM 0 H TYR A 43 6.055 2.795 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 43 6.601 0.177 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.894 2.522 -3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.775 1.926 -1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.768 -1.063 -2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.593 2.428 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.192 -2.385 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.023 1.109 -6.521 1.00 0.00 H new ATOM 0 HH TYR A 43 11.868 -0.880 -6.995 1.00 0.00 H new ATOM 731 N SER A 44 7.568 0.839 -0.008 1.00 0.00 N ATOM 732 CA SER A 44 7.883 0.219 1.273 1.00 0.00 C ATOM 733 C SER A 44 6.663 -0.514 1.821 1.00 0.00 C ATOM 734 O SER A 44 6.773 -1.633 2.319 1.00 0.00 O ATOM 735 CB SER A 44 8.373 1.271 2.268 1.00 0.00 C ATOM 736 OG SER A 44 9.533 1.921 1.776 1.00 0.00 O ATOM 0 H SER A 44 7.634 1.857 -0.012 1.00 0.00 H new ATOM 0 HA SER A 44 8.681 -0.508 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.587 2.004 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.592 0.799 3.226 1.00 0.00 H new ATOM 0 HG SER A 44 9.349 2.877 1.664 1.00 0.00 H new ATOM 742 N LEU A 45 5.499 0.113 1.693 1.00 0.00 N ATOM 743 CA LEU A 45 4.248 -0.492 2.130 1.00 0.00 C ATOM 744 C LEU A 45 4.029 -1.813 1.397 1.00 0.00 C ATOM 745 O LEU A 45 3.544 -2.781 1.974 1.00 0.00 O ATOM 746 CB LEU A 45 3.072 0.465 1.878 1.00 0.00 C ATOM 747 CG LEU A 45 1.689 -0.054 2.319 1.00 0.00 C ATOM 748 CD1 LEU A 45 1.655 -0.307 3.825 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.589 0.923 1.907 1.00 0.00 C ATOM 0 H LEU A 45 5.397 1.044 1.288 1.00 0.00 H new ATOM 0 HA LEU A 45 4.304 -0.688 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.271 1.403 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.033 0.692 0.813 1.00 0.00 H new ATOM 0 HG LEU A 45 1.508 -1.003 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.669 -0.672 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.407 -1.051 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.865 0.622 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.379 0.538 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.768 1.891 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.592 1.039 0.823 1.00 0.00 H new ATOM 761 N SER A 46 4.435 -1.851 0.131 1.00 0.00 N ATOM 762 CA SER A 46 4.279 -3.038 -0.694 1.00 0.00 C ATOM 763 C SER A 46 5.131 -4.172 -0.138 1.00 0.00 C ATOM 764 O SER A 46 4.622 -5.255 0.155 1.00 0.00 O ATOM 765 CB SER A 46 4.680 -2.744 -2.147 1.00 0.00 C ATOM 766 OG SER A 46 3.957 -1.642 -2.670 1.00 0.00 O ATOM 0 H SER A 46 4.877 -1.065 -0.346 1.00 0.00 H new ATOM 0 HA SER A 46 3.231 -3.336 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.749 -2.536 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.498 -3.625 -2.762 1.00 0.00 H new ATOM 0 HG SER A 46 4.294 -0.812 -2.273 1.00 0.00 H new ATOM 772 N LYS A 47 6.426 -3.906 0.042 1.00 0.00 N ATOM 773 CA LYS A 47 7.348 -4.940 0.506 1.00 0.00 C ATOM 774 C LYS A 47 7.002 -5.371 1.934 1.00 0.00 C ATOM 775 O LYS A 47 7.237 -6.519 2.317 1.00 0.00 O ATOM 776 CB LYS A 47 8.812 -4.468 0.409 1.00 0.00 C ATOM 777 CG LYS A 47 9.182 -3.322 1.349 1.00 0.00 C ATOM 778 CD LYS A 47 10.631 -2.873 1.145 1.00 0.00 C ATOM 779 CE LYS A 47 11.041 -1.781 2.130 1.00 0.00 C ATOM 780 NZ LYS A 47 12.422 -1.286 1.870 1.00 0.00 N ATOM 0 H LYS A 47 6.854 -2.995 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 47 7.238 -5.806 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.466 -5.315 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.011 -4.156 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.512 -2.480 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.040 -3.638 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.295 -3.730 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.756 -2.506 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.339 -0.950 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.980 -2.168 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.661 -0.546 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.096 -2.073 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.475 -0.893 0.909 1.00 0.00 H new ATOM 794 N ILE A 48 6.416 -4.458 2.707 1.00 0.00 N ATOM 795 CA ILE A 48 6.026 -4.759 4.083 1.00 0.00 C ATOM 796 C ILE A 48 4.747 -5.600 4.125 1.00 0.00 C ATOM 797 O ILE A 48 4.671 -6.573 4.873 1.00 0.00 O ATOM 798 CB ILE A 48 5.848 -3.466 4.921 1.00 0.00 C ATOM 799 CG1 ILE A 48 7.204 -2.758 5.085 1.00 0.00 C ATOM 800 CG2 ILE A 48 5.236 -3.775 6.290 1.00 0.00 C ATOM 801 CD1 ILE A 48 7.131 -1.455 5.848 1.00 0.00 C ATOM 0 H ILE A 48 6.202 -3.508 2.405 1.00 0.00 H new ATOM 0 HA ILE A 48 6.835 -5.340 4.526 1.00 0.00 H new ATOM 0 HB ILE A 48 5.162 -2.805 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.893 -3.429 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.623 -2.565 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.123 -2.850 6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.259 -4.240 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.890 -4.456 6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.127 -1.019 5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.470 -0.764 5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.743 -1.641 6.850 1.00 0.00 H new ATOM 813 N VAL A 49 3.752 -5.241 3.318 1.00 0.00 N ATOM 814 CA VAL A 49 2.512 -6.019 3.247 1.00 0.00 C ATOM 815 C VAL A 49 2.809 -7.434 2.742 1.00 0.00 C ATOM 816 O VAL A 49 2.221 -8.405 3.214 1.00 0.00 O ATOM 817 CB VAL A 49 1.450 -5.339 2.334 1.00 0.00 C ATOM 818 CG1 VAL A 49 0.242 -6.253 2.110 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.998 -4.006 2.933 1.00 0.00 C ATOM 0 H VAL A 49 3.776 -4.424 2.708 1.00 0.00 H new ATOM 0 HA VAL A 49 2.097 -6.070 4.254 1.00 0.00 H new ATOM 0 HB VAL A 49 1.917 -5.150 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.481 -5.749 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.568 -7.177 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.222 -6.484 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.256 -3.547 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.559 -4.179 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.856 -3.341 3.031 1.00 0.00 H new ATOM 829 N VAL A 50 3.746 -7.539 1.796 1.00 0.00 N ATOM 830 CA VAL A 50 4.198 -8.839 1.290 1.00 0.00 C ATOM 831 C VAL A 50 4.970 -9.594 2.376 1.00 0.00 C ATOM 832 O VAL A 50 4.864 -10.817 2.493 1.00 0.00 O ATOM 833 CB VAL A 50 5.086 -8.687 0.025 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.628 -10.040 -0.436 1.00 0.00 C ATOM 835 CG2 VAL A 50 4.304 -8.012 -1.102 1.00 0.00 C ATOM 0 H VAL A 50 4.207 -6.738 1.364 1.00 0.00 H new ATOM 0 HA VAL A 50 3.310 -9.407 1.013 1.00 0.00 H new ATOM 0 HB VAL A 50 5.935 -8.056 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.246 -9.901 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.229 -10.481 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.796 -10.703 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.943 -7.914 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.432 -8.617 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.979 -7.023 -0.778 1.00 0.00 H new ATOM 845 N GLU A 51 5.751 -8.852 3.160 1.00 0.00 N ATOM 846 CA GLU A 51 6.446 -9.408 4.323 1.00 0.00 C ATOM 847 C GLU A 51 5.433 -10.003 5.301 1.00 0.00 C ATOM 848 O GLU A 51 5.627 -11.095 5.843 1.00 0.00 O ATOM 849 CB GLU A 51 7.262 -8.304 5.017 1.00 0.00 C ATOM 850 CG GLU A 51 7.948 -8.739 6.308 1.00 0.00 C ATOM 851 CD GLU A 51 8.573 -7.571 7.060 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.727 -7.204 6.751 1.00 0.00 O ATOM 853 OE2 GLU A 51 7.913 -7.014 7.965 1.00 0.00 O ATOM 0 H GLU A 51 5.920 -7.857 3.010 1.00 0.00 H new ATOM 0 HA GLU A 51 7.122 -10.197 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.020 -7.940 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.601 -7.465 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.222 -9.234 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.720 -9.472 6.076 1.00 0.00 H new ATOM 860 N GLU A 52 4.345 -9.271 5.503 1.00 0.00 N ATOM 861 CA GLU A 52 3.287 -9.673 6.422 1.00 0.00 C ATOM 862 C GLU A 52 2.430 -10.787 5.820 1.00 0.00 C ATOM 863 O GLU A 52 1.895 -11.627 6.543 1.00 0.00 O ATOM 864 CB GLU A 52 2.429 -8.454 6.769 1.00 0.00 C ATOM 865 CG GLU A 52 3.190 -7.344 7.494 1.00 0.00 C ATOM 866 CD GLU A 52 3.601 -7.712 8.915 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.380 -8.669 9.094 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.158 -7.030 9.859 1.00 0.00 O ATOM 0 H GLU A 52 4.171 -8.382 5.035 1.00 0.00 H new ATOM 0 HA GLU A 52 3.739 -10.066 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.003 -8.049 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.595 -8.775 7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.082 -7.092 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.568 -6.449 7.525 1.00 0.00 H new ATOM 875 N GLY A 53 2.293 -10.776 4.496 1.00 0.00 N ATOM 876 CA GLY A 53 1.646 -11.875 3.790 1.00 0.00 C ATOM 877 C GLY A 53 0.268 -11.544 3.233 1.00 0.00 C ATOM 878 O GLY A 53 -0.287 -12.337 2.472 1.00 0.00 O ATOM 0 H GLY A 53 2.621 -10.021 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.289 -12.191 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.555 -12.723 4.469 1.00 0.00 H new ATOM 882 N GLY A 54 -0.305 -10.403 3.617 1.00 0.00 N ATOM 883 CA GLY A 54 -1.604 -10.017 3.072 1.00 0.00 C ATOM 884 C GLY A 54 -2.251 -8.866 3.824 1.00 0.00 C ATOM 885 O GLY A 54 -2.304 -8.885 5.055 1.00 0.00 O ATOM 0 H GLY A 54 0.098 -9.746 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.483 -9.736 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.271 -10.879 3.096 1.00 0.00 H new ATOM 889 N TYR A 55 -2.761 -7.881 3.078 1.00 0.00 N ATOM 890 CA TYR A 55 -3.461 -6.721 3.651 1.00 0.00 C ATOM 891 C TYR A 55 -4.509 -7.144 4.682 1.00 0.00 C ATOM 892 O TYR A 55 -4.514 -6.658 5.818 1.00 0.00 O ATOM 893 CB TYR A 55 -4.127 -5.920 2.517 1.00 0.00 C ATOM 894 CG TYR A 55 -5.216 -4.949 2.952 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.903 -3.738 3.552 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.558 -5.246 2.745 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.893 -2.852 3.938 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.552 -4.365 3.125 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.215 -3.171 3.722 1.00 0.00 C ATOM 900 OH TYR A 55 -8.207 -2.294 4.105 1.00 0.00 O ATOM 0 H TYR A 55 -2.702 -7.863 2.060 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.729 -6.099 4.167 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.355 -5.360 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.555 -6.623 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.867 -3.482 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.828 -6.182 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.630 -1.915 4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.589 -4.612 2.954 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.083 -2.672 3.879 1.00 0.00 H new ATOM 910 N GLU A 56 -5.379 -8.060 4.274 1.00 0.00 N ATOM 911 CA GLU A 56 -6.496 -8.506 5.102 1.00 0.00 C ATOM 912 C GLU A 56 -5.991 -9.081 6.429 1.00 0.00 C ATOM 913 O GLU A 56 -6.507 -8.757 7.501 1.00 0.00 O ATOM 914 CB GLU A 56 -7.325 -9.542 4.316 1.00 0.00 C ATOM 915 CG GLU A 56 -8.738 -9.775 4.851 1.00 0.00 C ATOM 916 CD GLU A 56 -8.810 -10.728 6.034 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.913 -11.587 6.175 1.00 0.00 O ATOM 918 OE2 GLU A 56 -9.787 -10.647 6.809 1.00 0.00 O ATOM 0 H GLU A 56 -5.332 -8.515 3.362 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.134 -7.656 5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.394 -9.218 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.790 -10.492 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.165 -8.816 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.359 -10.167 4.045 1.00 0.00 H new ATOM 925 N ALA A 57 -4.950 -9.904 6.352 1.00 0.00 N ATOM 926 CA ALA A 57 -4.378 -10.529 7.540 1.00 0.00 C ATOM 927 C ALA A 57 -3.804 -9.473 8.481 1.00 0.00 C ATOM 928 O ALA A 57 -4.005 -9.533 9.698 1.00 0.00 O ATOM 929 CB ALA A 57 -3.307 -11.540 7.145 1.00 0.00 C ATOM 0 H ALA A 57 -4.485 -10.154 5.479 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.172 -11.058 8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.890 -11.998 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.750 -12.312 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.514 -11.034 6.594 1.00 0.00 H new ATOM 935 N ILE A 58 -3.103 -8.497 7.905 1.00 0.00 N ATOM 936 CA ILE A 58 -2.517 -7.404 8.678 1.00 0.00 C ATOM 937 C ILE A 58 -3.608 -6.626 9.400 1.00 0.00 C ATOM 938 O ILE A 58 -3.449 -6.230 10.557 1.00 0.00 O ATOM 939 CB ILE A 58 -1.741 -6.412 7.776 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.719 -7.145 6.902 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.044 -5.346 8.618 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.038 -6.247 5.889 1.00 0.00 C ATOM 0 H ILE A 58 -2.927 -8.442 6.902 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.827 -7.856 9.391 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.464 -5.924 7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.038 -7.597 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.219 -7.959 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.505 -4.660 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.787 -4.792 9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.341 -5.824 9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.673 -6.831 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.786 -5.815 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.490 -5.448 6.409 1.00 0.00 H new ATOM 954 N CYS A 59 -4.717 -6.416 8.700 1.00 0.00 N ATOM 955 CA CYS A 59 -5.823 -5.631 9.221 1.00 0.00 C ATOM 956 C CYS A 59 -6.493 -6.351 10.389 1.00 0.00 C ATOM 957 O CYS A 59 -6.701 -5.764 11.452 1.00 0.00 O ATOM 958 CB CYS A 59 -6.838 -5.343 8.108 1.00 0.00 C ATOM 959 SG CYS A 59 -8.097 -4.130 8.564 1.00 0.00 S ATOM 0 H CYS A 59 -4.872 -6.784 7.761 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.432 -4.682 9.589 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.305 -4.986 7.227 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.329 -6.275 7.827 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.272 -4.582 8.241 1.00 0.00 H new ATOM 965 N LYS A 60 -6.800 -7.631 10.196 1.00 0.00 N ATOM 966 CA LYS A 60 -7.460 -8.427 11.230 1.00 0.00 C ATOM 967 C LYS A 60 -6.539 -8.658 12.428 1.00 0.00 C ATOM 968 O LYS A 60 -7.007 -8.813 13.558 1.00 0.00 O ATOM 969 CB LYS A 60 -7.925 -9.774 10.665 1.00 0.00 C ATOM 970 CG LYS A 60 -9.043 -9.665 9.633 1.00 0.00 C ATOM 971 CD LYS A 60 -10.292 -8.995 10.204 1.00 0.00 C ATOM 972 CE LYS A 60 -11.466 -9.062 9.231 1.00 0.00 C ATOM 973 NZ LYS A 60 -11.136 -8.464 7.912 1.00 0.00 N ATOM 0 H LYS A 60 -6.603 -8.140 9.334 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.330 -7.864 11.568 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.073 -10.278 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.265 -10.403 11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.688 -9.096 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.300 -10.661 9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.568 -9.479 11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.072 -7.953 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.762 -10.102 9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.322 -8.541 9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.904 -7.827 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.249 -7.926 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.024 -9.220 7.206 1.00 0.00 H new ATOM 987 N ASP A 61 -5.232 -8.693 12.182 1.00 0.00 N ATOM 988 CA ASP A 61 -4.260 -8.925 13.255 1.00 0.00 C ATOM 989 C ASP A 61 -3.718 -7.597 13.800 1.00 0.00 C ATOM 990 O ASP A 61 -2.957 -7.578 14.768 1.00 0.00 O ATOM 991 CB ASP A 61 -3.113 -9.815 12.752 1.00 0.00 C ATOM 992 CG ASP A 61 -2.285 -10.407 13.884 1.00 0.00 C ATOM 993 OD1 ASP A 61 -2.842 -11.187 14.686 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.070 -10.126 13.961 1.00 0.00 O ATOM 0 H ASP A 61 -4.820 -8.565 11.258 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.766 -9.440 14.071 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.525 -10.624 12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.464 -9.230 12.101 1.00 0.00 H new ATOM 999 N ARG A 62 -4.119 -6.492 13.161 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.758 -5.141 13.609 1.00 0.00 C ATOM 1001 C ARG A 62 -2.241 -4.921 13.596 1.00 0.00 C ATOM 1002 O ARG A 62 -1.690 -4.281 14.493 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.335 -4.847 15.012 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.821 -4.483 15.015 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.716 -5.655 14.626 1.00 0.00 C ATOM 1006 NE ARG A 62 -8.090 -5.222 14.373 1.00 0.00 N ATOM 1007 CZ ARG A 62 -9.153 -6.027 14.382 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -9.032 -7.309 14.699 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -10.346 -5.537 14.080 1.00 0.00 N ATOM 0 H ARG A 62 -4.700 -6.508 12.323 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.200 -4.441 12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.185 -5.722 15.645 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.771 -4.029 15.460 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.102 -4.130 16.007 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.990 -3.657 14.324 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.316 -6.139 13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.709 -6.399 15.423 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.246 -4.234 14.176 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.117 -7.691 14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.854 -7.913 14.702 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.447 -4.550 13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.164 -6.147 14.085 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.572 -5.414 12.557 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.119 -5.263 12.439 1.00 0.00 C ATOM 1025 C ARG A 63 0.241 -3.893 11.858 1.00 0.00 C ATOM 1026 O ARG A 63 1.415 -3.526 11.802 1.00 0.00 O ATOM 1027 CB ARG A 63 0.469 -6.369 11.553 1.00 0.00 C ATOM 1028 CG ARG A 63 0.143 -7.787 12.012 1.00 0.00 C ATOM 1029 CD ARG A 63 0.648 -8.829 11.016 1.00 0.00 C ATOM 1030 NE ARG A 63 0.286 -10.192 11.410 1.00 0.00 N ATOM 1031 CZ ARG A 63 0.330 -11.252 10.597 1.00 0.00 C ATOM 1032 NH1 ARG A 63 0.734 -11.123 9.335 1.00 0.00 N ATOM 1033 NH2 ARG A 63 -0.023 -12.446 11.049 1.00 0.00 N ATOM 0 H ARG A 63 -2.008 -5.920 11.786 1.00 0.00 H new ATOM 0 HA ARG A 63 0.307 -5.344 13.439 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.101 -6.236 10.536 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.552 -6.252 11.518 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.594 -7.967 12.988 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.935 -7.892 12.134 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.236 -8.616 10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.732 -8.753 10.931 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.021 -10.343 12.371 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.014 -10.209 8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.764 -11.939 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.328 -12.556 12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.010 -13.256 10.430 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.778 -3.135 11.438 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.563 -1.809 10.846 1.00 0.00 C ATOM 1049 C TRP A 64 0.219 -0.900 11.788 1.00 0.00 C ATOM 1050 O TRP A 64 0.852 0.061 11.349 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.894 -1.138 10.483 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.650 -1.840 9.392 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.942 -2.281 9.447 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.162 -2.183 8.087 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.287 -2.872 8.257 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.212 -2.825 7.409 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.941 -2.011 7.419 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.082 -3.293 6.110 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.815 -2.478 6.125 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.882 -3.112 5.482 1.00 0.00 C ATOM 0 H TRP A 64 -1.757 -3.415 11.497 1.00 0.00 H new ATOM 0 HA TRP A 64 0.018 -1.960 9.936 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.521 -1.090 11.374 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.700 -0.111 10.174 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.596 -2.180 10.301 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.196 -3.280 8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.112 -1.521 7.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.903 -3.785 5.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.122 -2.351 5.602 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.756 -3.466 4.469 1.00 0.00 H new ATOM 1071 N ALA A 65 0.169 -1.208 13.081 1.00 0.00 N ATOM 1072 CA ALA A 65 0.892 -0.440 14.082 1.00 0.00 C ATOM 1073 C ALA A 65 2.393 -0.460 13.797 1.00 0.00 C ATOM 1074 O ALA A 65 3.019 0.594 13.655 1.00 0.00 O ATOM 1075 CB ALA A 65 0.596 -0.978 15.476 1.00 0.00 C ATOM 0 H ALA A 65 -0.368 -1.989 13.458 1.00 0.00 H new ATOM 0 HA ALA A 65 0.555 0.596 14.035 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.144 -0.394 16.215 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.473 -0.904 15.675 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.905 -2.021 15.537 1.00 0.00 H new ATOM 1081 N ARG A 66 2.967 -1.662 13.682 1.00 0.00 N ATOM 1082 CA ARG A 66 4.399 -1.792 13.412 1.00 0.00 C ATOM 1083 C ARG A 66 4.725 -1.392 11.974 1.00 0.00 C ATOM 1084 O ARG A 66 5.857 -1.020 11.672 1.00 0.00 O ATOM 1085 CB ARG A 66 4.917 -3.213 13.744 1.00 0.00 C ATOM 1086 CG ARG A 66 4.202 -4.377 13.044 1.00 0.00 C ATOM 1087 CD ARG A 66 4.558 -4.500 11.563 1.00 0.00 C ATOM 1088 NE ARG A 66 6.006 -4.577 11.332 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.568 -5.221 10.307 1.00 0.00 C ATOM 1090 NH1 ARG A 66 5.817 -5.892 9.448 1.00 0.00 N ATOM 1091 NH2 ARG A 66 7.882 -5.211 10.146 1.00 0.00 N ATOM 0 H ARG A 66 2.468 -2.547 13.771 1.00 0.00 H new ATOM 0 HA ARG A 66 4.924 -1.102 14.072 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.976 -3.259 13.490 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.841 -3.362 14.821 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.456 -5.308 13.550 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.125 -4.245 13.142 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.081 -5.390 11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.153 -3.643 11.024 1.00 0.00 H new ATOM 0 HE ARG A 66 6.621 -4.109 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.804 -5.918 9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.251 -6.383 8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.473 -4.708 10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.303 -5.706 9.360 1.00 0.00 H new ATOM 1105 N VAL A 67 3.728 -1.458 11.090 1.00 0.00 N ATOM 1106 CA VAL A 67 3.913 -1.040 9.699 1.00 0.00 C ATOM 1107 C VAL A 67 4.119 0.473 9.635 1.00 0.00 C ATOM 1108 O VAL A 67 5.077 0.961 9.028 1.00 0.00 O ATOM 1109 CB VAL A 67 2.708 -1.441 8.810 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.896 -0.945 7.374 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.496 -2.955 8.835 1.00 0.00 C ATOM 0 H VAL A 67 2.791 -1.794 11.310 1.00 0.00 H new ATOM 0 HA VAL A 67 4.795 -1.552 9.315 1.00 0.00 H new ATOM 0 HB VAL A 67 1.817 -0.964 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.037 -1.240 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.984 0.141 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.801 -1.383 6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.645 -3.214 8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.390 -3.454 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.301 -3.278 9.858 1.00 0.00 H new ATOM 1121 N ALA A 68 3.226 1.212 10.286 1.00 0.00 N ATOM 1122 CA ALA A 68 3.350 2.661 10.363 1.00 0.00 C ATOM 1123 C ALA A 68 4.642 3.033 11.087 1.00 0.00 C ATOM 1124 O ALA A 68 5.361 3.936 10.664 1.00 0.00 O ATOM 1125 CB ALA A 68 2.138 3.271 11.061 1.00 0.00 C ATOM 0 H ALA A 68 2.411 0.831 10.766 1.00 0.00 H new ATOM 0 HA ALA A 68 3.388 3.066 9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.252 4.354 11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.235 3.025 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.061 2.871 12.072 1.00 0.00 H new ATOM 1131 N GLN A 69 4.934 2.309 12.167 1.00 0.00 N ATOM 1132 CA GLN A 69 6.177 2.496 12.920 1.00 0.00 C ATOM 1133 C GLN A 69 7.387 2.215 12.023 1.00 0.00 C ATOM 1134 O GLN A 69 8.442 2.842 12.154 1.00 0.00 O ATOM 1135 CB GLN A 69 6.196 1.566 14.140 1.00 0.00 C ATOM 1136 CG GLN A 69 7.430 1.722 15.024 1.00 0.00 C ATOM 1137 CD GLN A 69 7.484 0.697 16.144 1.00 0.00 C ATOM 1138 OE1 GLN A 69 6.993 -0.425 16.002 1.00 0.00 O ATOM 1139 NE2 GLN A 69 8.084 1.069 17.261 1.00 0.00 N ATOM 0 H GLN A 69 4.324 1.583 12.543 1.00 0.00 H new ATOM 0 HA GLN A 69 6.229 3.529 13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.306 1.754 14.741 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.136 0.533 13.797 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.326 1.630 14.410 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.440 2.724 15.453 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.478 2.006 17.340 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.153 0.419 18.044 1.00 0.00 H new ATOM 1148 N ARG A 70 7.217 1.264 11.110 1.00 0.00 N ATOM 1149 CA ARG A 70 8.248 0.924 10.132 1.00 0.00 C ATOM 1150 C ARG A 70 8.521 2.127 9.227 1.00 0.00 C ATOM 1151 O ARG A 70 9.671 2.451 8.934 1.00 0.00 O ATOM 1152 CB ARG A 70 7.808 -0.301 9.303 1.00 0.00 C ATOM 1153 CG ARG A 70 8.726 -1.517 9.421 1.00 0.00 C ATOM 1154 CD ARG A 70 10.018 -1.340 8.629 1.00 0.00 C ATOM 1155 NE ARG A 70 10.865 -0.273 9.164 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.824 0.338 8.471 1.00 0.00 C ATOM 1157 NH1 ARG A 70 12.088 -0.030 7.222 1.00 0.00 N ATOM 1158 NH2 ARG A 70 12.518 1.318 9.036 1.00 0.00 N ATOM 0 H ARG A 70 6.365 0.709 11.026 1.00 0.00 H new ATOM 0 HA ARG A 70 9.170 0.668 10.654 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.804 -0.590 9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.747 -0.010 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.965 -1.689 10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.201 -2.403 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.574 -2.277 8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.775 -1.119 7.590 1.00 0.00 H new ATOM 0 HE ARG A 70 10.711 0.021 10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.555 -0.784 6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.824 0.442 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.315 1.599 9.995 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.254 1.790 8.511 1.00 0.00 H new ATOM 1172 N LEU A 71 7.449 2.794 8.813 1.00 0.00 N ATOM 1173 CA LEU A 71 7.545 4.020 8.013 1.00 0.00 C ATOM 1174 C LEU A 71 7.789 5.244 8.906 1.00 0.00 C ATOM 1175 O LEU A 71 7.601 6.379 8.471 1.00 0.00 O ATOM 1176 CB LEU A 71 6.287 4.220 7.152 1.00 0.00 C ATOM 1177 CG LEU A 71 6.202 3.342 5.884 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.165 1.856 6.235 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.986 3.727 5.041 1.00 0.00 C ATOM 0 H LEU A 71 6.492 2.506 9.018 1.00 0.00 H new ATOM 0 HA LEU A 71 8.399 3.912 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.411 4.022 7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.236 5.267 6.852 1.00 0.00 H new ATOM 0 HG LEU A 71 7.102 3.522 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.105 1.267 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.070 1.588 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.293 1.650 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.945 3.097 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.078 3.588 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.067 4.772 4.741 1.00 0.00 H new ATOM 1191 N ASN A 72 8.159 4.982 10.166 1.00 0.00 N ATOM 1192 CA ASN A 72 8.502 6.011 11.164 1.00 0.00 C ATOM 1193 C ASN A 72 7.360 7.001 11.398 1.00 0.00 C ATOM 1194 O ASN A 72 7.590 8.163 11.752 1.00 0.00 O ATOM 1195 CB ASN A 72 9.827 6.753 10.843 1.00 0.00 C ATOM 1196 CG ASN A 72 9.817 7.570 9.556 1.00 0.00 C ATOM 1197 OD1 ASN A 72 10.317 7.128 8.522 1.00 0.00 O ATOM 1198 ND2 ASN A 72 9.237 8.760 9.604 1.00 0.00 N ATOM 0 H ASN A 72 8.231 4.032 10.530 1.00 0.00 H new ATOM 0 HA ASN A 72 8.662 5.467 12.095 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.064 7.417 11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.631 6.019 10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.195 9.341 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.833 9.095 10.478 1.00 0.00 H new ATOM 1205 N TYR A 73 6.132 6.530 11.231 1.00 0.00 N ATOM 1206 CA TYR A 73 4.952 7.300 11.615 1.00 0.00 C ATOM 1207 C TYR A 73 4.722 7.157 13.123 1.00 0.00 C ATOM 1208 O TYR A 73 5.256 6.235 13.746 1.00 0.00 O ATOM 1209 CB TYR A 73 3.707 6.808 10.859 1.00 0.00 C ATOM 1210 CG TYR A 73 3.798 6.899 9.346 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.520 7.913 8.720 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.140 5.975 8.543 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.583 7.996 7.341 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.200 6.050 7.168 1.00 0.00 C ATOM 1215 CZ TYR A 73 3.922 7.063 6.569 1.00 0.00 C ATOM 1216 OH TYR A 73 3.978 7.144 5.196 1.00 0.00 O ATOM 0 H TYR A 73 5.924 5.615 10.831 1.00 0.00 H new ATOM 0 HA TYR A 73 5.121 8.346 11.360 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.519 5.770 11.135 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.846 7.387 11.192 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.038 8.645 9.321 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.570 5.183 9.006 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.147 8.788 6.870 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.685 5.320 6.562 1.00 0.00 H new ATOM 0 HH TYR A 73 4.829 7.549 4.927 1.00 0.00 H new ATOM 1226 N PRO A 74 3.956 8.077 13.740 1.00 0.00 N ATOM 1227 CA PRO A 74 3.569 7.959 15.153 1.00 0.00 C ATOM 1228 C PRO A 74 2.865 6.627 15.448 1.00 0.00 C ATOM 1229 O PRO A 74 1.896 6.268 14.769 1.00 0.00 O ATOM 1230 CB PRO A 74 2.609 9.140 15.364 1.00 0.00 C ATOM 1231 CG PRO A 74 2.992 10.129 14.317 1.00 0.00 C ATOM 1232 CD PRO A 74 3.430 9.315 13.129 1.00 0.00 C ATOM 0 HA PRO A 74 4.432 7.979 15.818 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.570 8.830 15.255 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.713 9.561 16.364 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.151 10.774 14.061 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.796 10.777 14.666 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.599 9.109 12.454 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.193 9.832 12.547 1.00 0.00 H new ATOM 1240 N PRO A 75 3.356 5.865 16.452 1.00 0.00 N ATOM 1241 CA PRO A 75 2.748 4.588 16.856 1.00 0.00 C ATOM 1242 C PRO A 75 1.352 4.778 17.467 1.00 0.00 C ATOM 1243 O PRO A 75 0.732 5.831 17.310 1.00 0.00 O ATOM 1244 CB PRO A 75 3.736 4.023 17.900 1.00 0.00 C ATOM 1245 CG PRO A 75 4.989 4.819 17.726 1.00 0.00 C ATOM 1246 CD PRO A 75 4.548 6.177 17.260 1.00 0.00 C ATOM 0 HA PRO A 75 2.595 3.922 16.006 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.342 4.126 18.911 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.918 2.961 17.735 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.542 4.887 18.663 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.652 4.351 16.998 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.311 6.836 18.096 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.319 6.674 16.671 1.00 0.00 H new ATOM 1254 N GLY A 76 0.864 3.757 18.167 1.00 0.00 N ATOM 1255 CA GLY A 76 -0.471 3.820 18.743 1.00 0.00 C ATOM 1256 C GLY A 76 -1.547 3.622 17.691 1.00 0.00 C ATOM 1257 O GLY A 76 -2.686 4.052 17.873 1.00 0.00 O ATOM 0 H GLY A 76 1.367 2.888 18.346 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.571 3.056 19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.612 4.785 19.230 1.00 0.00 H new ATOM 1261 N LYS A 77 -1.149 3.000 16.572 1.00 0.00 N ATOM 1262 CA LYS A 77 -2.023 2.719 15.415 1.00 0.00 C ATOM 1263 C LYS A 77 -2.804 3.956 14.949 1.00 0.00 C ATOM 1264 O LYS A 77 -3.763 3.833 14.184 1.00 0.00 O ATOM 1265 CB LYS A 77 -2.992 1.543 15.691 1.00 0.00 C ATOM 1266 CG LYS A 77 -4.052 1.812 16.758 1.00 0.00 C ATOM 1267 CD LYS A 77 -5.095 0.699 16.828 1.00 0.00 C ATOM 1268 CE LYS A 77 -6.077 0.915 17.975 1.00 0.00 C ATOM 1269 NZ LYS A 77 -6.735 2.249 17.911 1.00 0.00 N ATOM 0 H LYS A 77 -0.193 2.670 16.439 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.355 2.428 14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.495 1.281 14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.407 0.674 15.993 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.569 1.917 17.729 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.548 2.759 16.545 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.641 0.653 15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.594 -0.261 16.954 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.838 0.135 17.951 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.551 0.817 18.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.488 2.299 18.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.032 2.992 18.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.145 2.389 16.966 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.362 5.143 15.366 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.043 6.389 15.013 1.00 0.00 C ATOM 1285 C ASN A 78 -3.061 6.586 13.500 1.00 0.00 C ATOM 1286 O ASN A 78 -4.121 6.755 12.898 1.00 0.00 O ATOM 1287 CB ASN A 78 -2.371 7.591 15.700 1.00 0.00 C ATOM 1288 CG ASN A 78 -2.510 7.571 17.218 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -3.618 7.045 17.719 1.00 0.00 O flip ATOM 1290 ND2 ASN A 78 -1.630 8.045 17.939 1.00 0.00 N flip ATOM 0 H ASN A 78 -1.535 5.268 15.949 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.073 6.321 15.364 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.313 7.605 15.439 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.807 8.512 15.314 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.788 8.443 17.522 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.743 8.040 18.953 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.884 6.543 12.882 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.779 6.677 11.431 1.00 0.00 C ATOM 1299 C ILE A 79 -2.169 5.362 10.745 1.00 0.00 C ATOM 1300 O ILE A 79 -2.374 5.315 9.532 1.00 0.00 O ATOM 1301 CB ILE A 79 -0.348 7.112 10.999 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.044 8.429 11.694 1.00 0.00 C ATOM 1303 CG2 ILE A 79 -0.245 7.266 9.479 1.00 0.00 C ATOM 1304 CD1 ILE A 79 -0.973 9.543 11.533 1.00 0.00 C ATOM 0 H ILE A 79 -0.992 6.417 13.361 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.471 7.459 11.118 1.00 0.00 H new ATOM 0 HB ILE A 79 0.345 6.328 11.305 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.190 8.236 12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.001 8.766 11.296 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.767 7.570 9.212 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.476 6.314 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.953 8.023 9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.621 10.435 12.052 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.103 9.767 10.474 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.927 9.229 11.957 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.303 4.303 11.542 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.708 3.008 11.015 1.00 0.00 C ATOM 1318 C GLY A 80 -4.064 3.071 10.335 1.00 0.00 C ATOM 1319 O GLY A 80 -4.284 2.432 9.302 1.00 0.00 O ATOM 0 H GLY A 80 -2.137 4.319 12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.961 2.656 10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.742 2.281 11.826 1.00 0.00 H new ATOM 1323 N SER A 81 -4.970 3.857 10.909 1.00 0.00 N ATOM 1324 CA SER A 81 -6.299 4.055 10.338 1.00 0.00 C ATOM 1325 C SER A 81 -6.198 4.836 9.026 1.00 0.00 C ATOM 1326 O SER A 81 -6.885 4.528 8.047 1.00 0.00 O ATOM 1327 CB SER A 81 -7.187 4.796 11.343 1.00 0.00 C ATOM 1328 OG SER A 81 -6.556 5.985 11.793 1.00 0.00 O ATOM 0 H SER A 81 -4.807 4.370 11.775 1.00 0.00 H new ATOM 0 HA SER A 81 -6.747 3.085 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.143 5.039 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.400 4.148 12.193 1.00 0.00 H new ATOM 0 HG SER A 81 -7.140 6.444 12.432 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.322 5.842 9.023 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.040 6.644 7.832 1.00 0.00 C ATOM 1336 C LEU A 82 -4.494 5.748 6.719 1.00 0.00 C ATOM 1337 O LEU A 82 -4.868 5.878 5.547 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.038 7.766 8.199 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.534 8.665 7.043 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.146 10.047 7.566 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -2.334 8.034 6.331 1.00 0.00 C ATOM 0 H LEU A 82 -4.789 6.123 9.846 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.957 7.106 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.506 8.406 8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.171 7.305 8.672 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.350 8.766 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.795 10.664 6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.014 10.519 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.352 9.946 8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.004 8.689 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.520 7.896 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.623 7.068 5.918 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.617 4.829 7.111 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.984 3.900 6.183 1.00 0.00 C ATOM 1355 C LEU A 83 -4.025 2.975 5.553 1.00 0.00 C ATOM 1356 O LEU A 83 -4.121 2.881 4.327 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.910 3.084 6.920 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.121 2.083 6.058 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.427 2.796 4.901 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.104 1.327 6.912 1.00 0.00 C ATOM 0 H LEU A 83 -3.326 4.708 8.081 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.510 4.467 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.204 3.777 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.390 2.537 7.732 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.824 1.362 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.125 2.070 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.173 3.287 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.264 3.542 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.445 0.623 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.593 2.035 7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.624 0.782 7.700 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.812 2.312 6.401 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.878 1.425 5.933 1.00 0.00 C ATOM 1374 C ARG A 84 -6.838 2.180 5.018 1.00 0.00 C ATOM 1375 O ARG A 84 -7.259 1.664 3.979 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.647 0.828 7.125 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.889 0.030 6.723 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.621 -0.545 7.933 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.908 -1.149 7.566 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.607 -1.978 8.351 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.125 -2.352 9.529 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.784 -2.440 7.950 1.00 0.00 N ATOM 0 H ARG A 84 -4.731 2.372 7.416 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.421 0.612 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.977 0.179 7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.946 1.636 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.567 0.674 6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.597 -0.782 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.993 -1.296 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.788 0.246 8.664 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.296 -0.921 6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.217 -2.008 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.662 -2.984 10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.158 -2.164 7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.315 -3.072 8.550 1.00 0.00 H new ATOM 1396 N SER A 85 -7.159 3.412 5.406 1.00 0.00 N ATOM 1397 CA SER A 85 -8.072 4.253 4.642 1.00 0.00 C ATOM 1398 C SER A 85 -7.556 4.439 3.216 1.00 0.00 C ATOM 1399 O SER A 85 -8.224 4.068 2.251 1.00 0.00 O ATOM 1400 CB SER A 85 -8.238 5.616 5.334 1.00 0.00 C ATOM 1401 OG SER A 85 -9.242 6.400 4.712 1.00 0.00 O ATOM 0 H SER A 85 -6.796 3.851 6.252 1.00 0.00 H new ATOM 0 HA SER A 85 -9.045 3.763 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.493 5.463 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.290 6.154 5.311 1.00 0.00 H new ATOM 0 HG SER A 85 -9.322 7.258 5.178 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.343 4.978 3.094 1.00 0.00 N ATOM 1408 CA HIS A 86 -5.755 5.260 1.785 1.00 0.00 C ATOM 1409 C HIS A 86 -5.586 3.976 0.980 1.00 0.00 C ATOM 1410 O HIS A 86 -5.756 3.969 -0.242 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.401 5.965 1.935 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.468 7.277 2.661 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.644 7.958 2.893 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -3.489 8.029 3.212 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.383 9.070 3.555 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -4.084 9.135 3.760 1.00 0.00 N ATOM 0 H HIS A 86 -5.749 5.228 3.885 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.436 5.922 1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.716 5.303 2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.979 6.132 0.944 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.433 7.800 3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.111 9.801 3.874 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.599 9.888 4.248 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.260 2.888 1.675 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.072 1.595 1.029 1.00 0.00 C ATOM 1427 C TYR A 87 -6.357 1.176 0.321 1.00 0.00 C ATOM 1428 O TYR A 87 -6.343 0.859 -0.867 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.659 0.524 2.055 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.192 -0.779 1.423 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.095 -1.656 0.825 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.842 -1.123 1.406 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.667 -2.830 0.239 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.410 -2.295 0.814 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.327 -3.145 0.233 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.904 -4.302 -0.376 1.00 0.00 O ATOM 0 H TYR A 87 -5.121 2.878 2.685 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.272 1.690 0.294 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.860 0.921 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.504 0.317 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.147 -1.413 0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.120 -0.462 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.382 -3.500 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.359 -2.544 0.807 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.930 -4.378 -0.294 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.465 1.203 1.057 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.755 0.749 0.541 1.00 0.00 C ATOM 1448 C GLU A 88 -9.147 1.503 -0.732 1.00 0.00 C ATOM 1449 O GLU A 88 -9.688 0.914 -1.669 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.852 0.934 1.602 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.221 0.414 1.166 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.337 0.795 2.125 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.516 0.102 3.150 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.043 1.795 1.857 1.00 0.00 O ATOM 0 H GLU A 88 -7.496 1.537 2.020 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.655 -0.309 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.552 0.421 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.936 1.993 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.453 0.805 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.180 -0.672 1.079 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.861 2.801 -0.764 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.342 3.661 -1.845 1.00 0.00 C ATOM 1463 C ARG A 89 -8.448 3.557 -3.083 1.00 0.00 C ATOM 1464 O ARG A 89 -8.923 3.683 -4.210 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.408 5.127 -1.378 1.00 0.00 C ATOM 1466 CG ARG A 89 -9.917 5.308 0.051 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.264 4.631 0.292 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.352 5.274 -0.445 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.645 5.046 -0.212 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -14.019 4.146 0.692 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -14.567 5.710 -0.896 1.00 0.00 N ATOM 0 H ARG A 89 -8.302 3.280 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.342 3.321 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.413 5.566 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.056 5.683 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.183 4.903 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.007 6.373 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.199 3.584 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.491 4.649 1.358 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.107 5.936 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.315 3.624 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.010 3.978 0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.287 6.394 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.557 5.537 -0.719 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.155 3.325 -2.867 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.177 3.368 -3.957 1.00 0.00 C ATOM 1487 C ILE A 90 -5.488 2.017 -4.174 1.00 0.00 C ATOM 1488 O ILE A 90 -5.457 1.492 -5.288 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.089 4.446 -3.676 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.723 5.842 -3.525 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.023 4.453 -4.776 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.437 6.339 -4.766 1.00 0.00 C ATOM 0 H ILE A 90 -6.759 3.106 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.732 3.621 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.602 4.189 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.431 5.819 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.943 6.556 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.276 5.215 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.542 3.476 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.492 4.673 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.854 7.328 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.730 6.398 -5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.241 5.650 -5.024 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.953 1.452 -3.098 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.019 0.329 -3.197 1.00 0.00 C ATOM 1506 C VAL A 91 -4.722 -1.032 -3.155 1.00 0.00 C ATOM 1507 O VAL A 91 -4.144 -2.040 -3.554 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.977 0.391 -2.053 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.886 -0.662 -2.244 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.378 1.792 -1.946 1.00 0.00 C ATOM 0 H VAL A 91 -5.149 1.752 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.527 0.423 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.488 0.169 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.169 -0.595 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.336 -1.655 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.374 -0.488 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.648 1.815 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.887 2.051 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.170 2.512 -1.741 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.965 -1.065 -2.687 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.657 -2.338 -2.469 1.00 0.00 C ATOM 1522 C TYR A 92 -6.718 -3.190 -3.753 1.00 0.00 C ATOM 1523 O TYR A 92 -6.499 -4.400 -3.694 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.061 -2.120 -1.877 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.580 -3.307 -1.070 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.832 -4.478 -0.941 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.815 -3.253 -0.433 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.300 -5.550 -0.210 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.288 -4.325 0.303 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.525 -5.470 0.411 1.00 0.00 C ATOM 1531 OH TYR A 92 -9.986 -6.539 1.140 1.00 0.00 O ATOM 0 H TYR A 92 -6.512 -0.237 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.071 -2.898 -1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.042 -1.238 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.759 -1.911 -2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.868 -4.546 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.415 -2.359 -0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.707 -6.449 -0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.250 -4.266 0.791 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.910 -6.737 0.881 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.021 -2.598 -4.933 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.946 -3.328 -6.210 1.00 0.00 C ATOM 1543 C PRO A 93 -5.578 -3.995 -6.417 1.00 0.00 C ATOM 1544 O PRO A 93 -5.480 -5.070 -7.018 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.187 -2.235 -7.260 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.001 -1.210 -6.546 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.499 -1.210 -5.126 1.00 0.00 C ATOM 0 HA PRO A 93 -7.666 -4.144 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.248 -1.816 -7.621 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.715 -2.628 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.883 -0.228 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.062 -1.455 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.698 -0.485 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.289 -0.955 -4.420 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.528 -3.356 -5.899 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.165 -3.873 -6.026 1.00 0.00 C ATOM 1557 C TYR A 94 -2.947 -5.097 -5.144 1.00 0.00 C ATOM 1558 O TYR A 94 -2.093 -5.925 -5.444 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.129 -2.789 -5.697 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.859 -1.843 -6.850 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -2.609 -0.685 -7.029 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -0.851 -2.118 -7.766 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -2.356 0.170 -8.081 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -0.595 -1.268 -8.821 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.348 -0.125 -8.974 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.099 0.717 -10.031 1.00 0.00 O ATOM 0 H TYR A 94 -4.596 -2.477 -5.386 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.031 -4.176 -7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.476 -2.214 -4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.195 -3.267 -5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.402 -0.452 -6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.258 -3.013 -7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.945 1.067 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.192 -1.497 -9.524 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.786 1.582 -9.693 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.708 -5.206 -4.059 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.684 -6.410 -3.228 1.00 0.00 C ATOM 1578 C GLU A 95 -4.036 -7.618 -4.096 1.00 0.00 C ATOM 1579 O GLU A 95 -3.253 -8.560 -4.231 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.675 -6.269 -2.059 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.820 -7.512 -1.177 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.527 -7.945 -0.492 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.810 -7.082 0.056 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.243 -9.159 -0.477 1.00 0.00 O ATOM 0 H GLU A 95 -4.347 -4.480 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.688 -6.549 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.359 -5.434 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.655 -6.012 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.575 -7.317 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.189 -8.336 -1.787 1.00 0.00 H new ATOM 1591 N MET A 96 -5.205 -7.546 -4.730 1.00 0.00 N ATOM 1592 CA MET A 96 -5.670 -8.602 -5.627 1.00 0.00 C ATOM 1593 C MET A 96 -4.709 -8.783 -6.806 1.00 0.00 C ATOM 1594 O MET A 96 -4.454 -9.901 -7.242 1.00 0.00 O ATOM 1595 CB MET A 96 -7.081 -8.277 -6.144 1.00 0.00 C ATOM 1596 CG MET A 96 -7.648 -9.317 -7.103 1.00 0.00 C ATOM 1597 SD MET A 96 -9.305 -8.903 -7.689 1.00 0.00 S ATOM 1598 CE MET A 96 -10.246 -8.967 -6.164 1.00 0.00 C ATOM 0 H MET A 96 -5.851 -6.762 -4.638 1.00 0.00 H new ATOM 0 HA MET A 96 -5.702 -9.535 -5.064 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.754 -8.178 -5.293 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.058 -7.310 -6.646 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.980 -9.417 -7.959 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.676 -10.286 -6.605 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.234 -9.382 -6.363 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.727 -9.597 -5.442 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.350 -7.961 -5.758 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.179 -7.670 -7.307 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.266 -7.683 -8.451 1.00 0.00 C ATOM 1610 C TYR A 97 -1.957 -8.404 -8.102 1.00 0.00 C ATOM 1611 O TYR A 97 -1.655 -9.478 -8.637 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.993 -6.233 -8.894 1.00 0.00 C ATOM 1613 CG TYR A 97 -2.116 -6.087 -10.126 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.483 -6.658 -11.341 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.927 -5.363 -10.077 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.692 -6.514 -12.465 1.00 0.00 C ATOM 1617 CE2 TYR A 97 -0.134 -5.214 -11.198 1.00 0.00 C ATOM 1618 CZ TYR A 97 -0.519 -5.791 -12.388 1.00 0.00 C ATOM 1619 OH TYR A 97 0.268 -5.639 -13.507 1.00 0.00 O ATOM 0 H TYR A 97 -4.367 -6.739 -6.936 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.729 -8.230 -9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.947 -5.743 -9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.523 -5.700 -8.068 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.401 -7.223 -11.407 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.620 -4.910 -9.146 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.991 -6.965 -13.400 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.784 -4.648 -11.142 1.00 0.00 H new ATOM 0 HH TYR A 97 1.056 -5.102 -13.282 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.201 -7.812 -7.182 1.00 0.00 N ATOM 1630 CA GLN A 98 0.102 -8.335 -6.777 1.00 0.00 C ATOM 1631 C GLN A 98 -0.048 -9.757 -6.241 1.00 0.00 C ATOM 1632 O GLN A 98 0.552 -10.697 -6.770 1.00 0.00 O ATOM 1633 CB GLN A 98 0.711 -7.409 -5.702 1.00 0.00 C ATOM 1634 CG GLN A 98 2.214 -7.581 -5.447 1.00 0.00 C ATOM 1635 CD GLN A 98 2.600 -8.951 -4.907 1.00 0.00 C ATOM 1636 OE1 GLN A 98 2.965 -9.850 -5.663 1.00 0.00 O ATOM 1637 NE2 GLN A 98 2.497 -9.127 -3.600 1.00 0.00 N ATOM 0 H GLN A 98 -1.473 -6.957 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 98 0.769 -8.365 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.527 -6.375 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.181 -7.575 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.752 -7.405 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.541 -6.818 -4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.191 -8.358 -3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.724 -10.032 -3.188 1.00 0.00 H new ATOM 1646 N SER A 99 -0.880 -9.915 -5.216 1.00 0.00 N ATOM 1647 CA SER A 99 -1.054 -11.208 -4.573 1.00 0.00 C ATOM 1648 C SER A 99 -1.679 -12.214 -5.539 1.00 0.00 C ATOM 1649 O SER A 99 -1.231 -13.357 -5.627 1.00 0.00 O ATOM 1650 CB SER A 99 -1.903 -11.052 -3.306 1.00 0.00 C ATOM 1651 OG SER A 99 -1.314 -10.109 -2.425 1.00 0.00 O ATOM 0 H SER A 99 -1.442 -9.164 -4.815 1.00 0.00 H new ATOM 0 HA SER A 99 -0.076 -11.594 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.909 -10.729 -3.573 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.999 -12.015 -2.805 1.00 0.00 H new ATOM 0 HG SER A 99 -1.984 -9.802 -1.779 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.679 -11.770 -6.299 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.335 -12.650 -7.252 1.00 0.00 C ATOM 1659 C GLY A 100 -2.381 -13.160 -8.314 1.00 0.00 C ATOM 1660 O GLY A 100 -2.599 -14.227 -8.898 1.00 0.00 O ATOM 0 H GLY A 100 -3.046 -10.819 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.771 -13.496 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.156 -12.116 -7.730 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.328 -12.391 -8.578 1.00 0.00 N ATOM 1665 CA ALA A 101 -0.293 -12.799 -9.522 1.00 0.00 C ATOM 1666 C ALA A 101 0.741 -13.718 -8.866 1.00 0.00 C ATOM 1667 O ALA A 101 1.129 -14.741 -9.439 1.00 0.00 O ATOM 1668 CB ALA A 101 0.393 -11.573 -10.112 1.00 0.00 C ATOM 0 H ALA A 101 -1.169 -11.479 -8.150 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.776 -13.361 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.163 -11.890 -10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.343 -10.960 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.850 -10.991 -9.311 1.00 0.00 H new ATOM 1674 N ASN A 102 1.181 -13.357 -7.663 1.00 0.00 N ATOM 1675 CA ASN A 102 2.292 -14.056 -7.004 1.00 0.00 C ATOM 1676 C ASN A 102 1.793 -15.128 -6.029 1.00 0.00 C ATOM 1677 O ASN A 102 2.140 -16.306 -6.167 1.00 0.00 O ATOM 1678 CB ASN A 102 3.197 -13.050 -6.276 1.00 0.00 C ATOM 1679 CG ASN A 102 4.531 -13.655 -5.860 1.00 0.00 C ATOM 1680 OD1 ASN A 102 4.672 -14.198 -4.766 1.00 0.00 O ATOM 1681 ND2 ASN A 102 5.526 -13.558 -6.731 1.00 0.00 N ATOM 0 H ASN A 102 0.789 -12.586 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 102 2.869 -14.561 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.378 -12.194 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.681 -12.676 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.443 -13.941 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.374 -13.101 -7.630 1.00 0.00 H new ATOM 1688 N LEU A 103 0.980 -14.724 -5.053 1.00 0.00 N ATOM 1689 CA LEU A 103 0.457 -15.644 -4.037 1.00 0.00 C ATOM 1690 C LEU A 103 -0.705 -14.983 -3.300 1.00 0.00 C ATOM 1691 O LEU A 103 -0.602 -13.832 -2.879 1.00 0.00 O ATOM 1692 CB LEU A 103 1.558 -16.060 -3.032 1.00 0.00 C ATOM 1693 CG LEU A 103 1.955 -15.015 -1.960 1.00 0.00 C ATOM 1694 CD1 LEU A 103 2.960 -15.610 -0.977 1.00 0.00 C ATOM 1695 CD2 LEU A 103 2.520 -13.745 -2.595 1.00 0.00 C ATOM 0 H LEU A 103 0.666 -13.760 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 103 0.107 -16.546 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.227 -16.963 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.452 -16.324 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 103 1.051 -14.741 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.227 -14.861 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.517 -16.473 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.855 -15.921 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.787 -13.035 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.407 -13.993 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.769 -13.300 -3.248 1.00 0.00 H new ATOM 1707 N VAL A 104 -1.816 -15.697 -3.152 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.000 -15.122 -2.523 1.00 0.00 C ATOM 1709 C VAL A 104 -3.703 -16.136 -1.612 1.00 0.00 C ATOM 1710 O VAL A 104 -4.295 -17.116 -2.071 1.00 0.00 O ATOM 1711 CB VAL A 104 -3.986 -14.556 -3.585 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.442 -15.636 -4.567 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.180 -13.879 -2.913 1.00 0.00 C ATOM 0 H VAL A 104 -1.922 -16.665 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.664 -14.293 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.450 -13.802 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.129 -15.201 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.575 -16.044 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.947 -16.434 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.855 -13.491 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.709 -14.604 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.829 -13.058 -2.288 1.00 0.00 H new ATOM 1723 N CYS A 105 -3.609 -15.896 -0.310 1.00 0.00 N ATOM 1724 CA CYS A 105 -4.261 -16.733 0.695 1.00 0.00 C ATOM 1725 C CYS A 105 -5.529 -16.052 1.211 1.00 0.00 C ATOM 1726 O CYS A 105 -6.461 -16.708 1.673 1.00 0.00 O ATOM 1727 CB CYS A 105 -3.287 -16.995 1.846 1.00 0.00 C ATOM 1728 SG CYS A 105 -2.451 -15.508 2.439 1.00 0.00 S ATOM 0 H CYS A 105 -3.080 -15.117 0.081 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.545 -17.684 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.830 -17.451 2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.538 -17.717 1.520 1.00 0.00 H new ATOM 0 HG CYS A 105 -1.649 -15.820 3.413 1.00 0.00 H new ATOM 1734 N ASN A 106 -5.552 -14.730 1.095 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.671 -13.899 1.550 1.00 0.00 C ATOM 1736 C ASN A 106 -7.701 -13.707 0.433 1.00 0.00 C ATOM 1737 O ASN A 106 -8.493 -12.762 0.460 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.149 -12.532 2.021 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.337 -11.814 0.951 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.678 -12.448 0.124 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -5.379 -10.492 0.952 1.00 0.00 N ATOM 0 H ASN A 106 -4.790 -14.195 0.679 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.159 -14.407 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.992 -11.906 2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.532 -12.669 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.855 -9.965 0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.935 -10.000 1.651 1.00 0.00 H new ATOM 1748 N THR A 107 -7.690 -14.618 -0.535 1.00 0.00 N ATOM 1749 CA THR A 107 -8.521 -14.504 -1.731 1.00 0.00 C ATOM 1750 C THR A 107 -10.010 -14.318 -1.404 1.00 0.00 C ATOM 1751 O THR A 107 -10.697 -13.531 -2.063 1.00 0.00 O ATOM 1752 CB THR A 107 -8.342 -15.736 -2.653 1.00 0.00 C ATOM 1753 OG1 THR A 107 -9.151 -15.600 -3.831 1.00 0.00 O ATOM 1754 CG2 THR A 107 -8.700 -17.032 -1.929 1.00 0.00 C ATOM 0 H THR A 107 -7.107 -15.454 -0.514 1.00 0.00 H new ATOM 0 HA THR A 107 -8.181 -13.608 -2.251 1.00 0.00 H new ATOM 0 HB THR A 107 -7.291 -15.784 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.027 -16.384 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 107 -8.563 -17.876 -2.605 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.053 -17.154 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.740 -16.992 -1.604 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.514 -15.029 -0.393 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.943 -14.976 -0.074 1.00 0.00 C ATOM 1764 C ARG A 108 -12.291 -13.764 0.802 1.00 0.00 C ATOM 1765 O ARG A 108 -13.142 -12.960 0.418 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.423 -16.265 0.612 1.00 0.00 C ATOM 1767 CG ARG A 108 -13.942 -16.317 0.799 1.00 0.00 C ATOM 1768 CD ARG A 108 -14.348 -17.182 1.987 1.00 0.00 C ATOM 1769 NE ARG A 108 -13.873 -16.620 3.257 1.00 0.00 N ATOM 1770 CZ ARG A 108 -14.523 -15.684 3.961 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -15.667 -15.180 3.512 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -14.020 -15.248 5.111 1.00 0.00 N ATOM 0 H ARG A 108 -9.964 -15.640 0.211 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.463 -14.874 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.106 -17.124 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.940 -16.353 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.323 -15.306 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.405 -16.708 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -15.434 -17.276 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.944 -18.187 1.860 1.00 0.00 H new ATOM 0 HE ARG A 108 -12.988 -16.966 3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.055 -15.506 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -16.157 -14.467 4.053 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.139 -15.626 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.515 -14.535 5.647 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.629 -13.586 1.975 1.00 0.00 N ATOM 1787 CA PRO A 109 -11.982 -12.520 2.931 1.00 0.00 C ATOM 1788 C PRO A 109 -11.740 -11.111 2.380 1.00 0.00 C ATOM 1789 O PRO A 109 -11.860 -10.125 3.107 1.00 0.00 O ATOM 1790 CB PRO A 109 -11.074 -12.798 4.139 1.00 0.00 C ATOM 1791 CG PRO A 109 -9.918 -13.540 3.569 1.00 0.00 C ATOM 1792 CD PRO A 109 -10.490 -14.389 2.469 1.00 0.00 C ATOM 0 HA PRO A 109 -13.045 -12.537 3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -10.755 -11.872 4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -11.590 -13.387 4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.163 -12.855 3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.433 -14.155 4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.758 -14.575 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.814 -15.362 2.839 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.404 -11.028 1.097 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.264 -9.754 0.405 1.00 0.00 C ATOM 1802 C PHE A 110 -12.519 -8.901 0.624 1.00 0.00 C ATOM 1803 O PHE A 110 -12.441 -7.742 1.049 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.048 -10.010 -1.096 1.00 0.00 C ATOM 1805 CG PHE A 110 -10.518 -8.821 -1.862 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -11.343 -7.752 -2.187 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -9.191 -8.783 -2.264 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -10.854 -6.671 -2.894 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -8.697 -7.703 -2.971 1.00 0.00 C ATOM 1810 CZ PHE A 110 -9.528 -6.645 -3.286 1.00 0.00 C ATOM 0 H PHE A 110 -11.222 -11.841 0.509 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.404 -9.215 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.353 -10.842 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.994 -10.320 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.379 -7.766 -1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -8.536 -9.607 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -11.507 -5.847 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -7.661 -7.686 -3.277 1.00 0.00 H new ATOM 0 HZ PHE A 110 -9.143 -5.800 -3.837 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.682 -9.493 0.352 1.00 0.00 N ATOM 1821 CA ASP A 111 -14.953 -8.797 0.539 1.00 0.00 C ATOM 1822 C ASP A 111 -15.217 -8.617 2.028 1.00 0.00 C ATOM 1823 O ASP A 111 -15.758 -7.603 2.452 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.117 -9.567 -0.115 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.668 -10.684 0.766 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -15.949 -11.682 0.992 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.824 -10.570 1.235 1.00 0.00 O ATOM 0 H ASP A 111 -13.769 -10.448 0.003 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.886 -7.822 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.920 -8.868 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.778 -9.992 -1.060 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.803 -9.609 2.812 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.975 -9.588 4.264 1.00 0.00 C ATOM 1834 C ASN A 112 -14.235 -8.400 4.881 1.00 0.00 C ATOM 1835 O ASN A 112 -14.648 -7.870 5.910 1.00 0.00 O ATOM 1836 CB ASN A 112 -14.464 -10.901 4.874 1.00 0.00 C ATOM 1837 CG ASN A 112 -14.789 -11.039 6.352 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -14.023 -10.607 7.218 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -15.921 -11.656 6.655 1.00 0.00 N ATOM 0 H ASN A 112 -14.340 -10.448 2.461 1.00 0.00 H new ATOM 0 HA ASN A 112 -16.038 -9.482 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -14.901 -11.740 4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.384 -10.961 4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -16.185 -11.787 7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.529 -12.000 5.912 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.140 -7.990 4.244 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.362 -6.843 4.706 1.00 0.00 C ATOM 1848 C GLU A 113 -12.981 -5.549 4.185 1.00 0.00 C ATOM 1849 O GLU A 113 -13.101 -4.561 4.912 1.00 0.00 O ATOM 1850 CB GLU A 113 -10.904 -6.956 4.240 1.00 0.00 C ATOM 1851 CG GLU A 113 -9.955 -6.010 4.968 1.00 0.00 C ATOM 1852 CD GLU A 113 -9.868 -6.314 6.455 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -9.088 -7.205 6.838 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -10.603 -5.692 7.246 1.00 0.00 O ATOM 0 H GLU A 113 -12.771 -8.436 3.404 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.375 -6.831 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.564 -7.981 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.857 -6.753 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.962 -6.083 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.291 -4.983 4.828 1.00 0.00 H new ATOM 1861 N GLU A 114 -13.382 -5.570 2.918 1.00 0.00 N ATOM 1862 CA GLU A 114 -14.077 -4.437 2.311 1.00 0.00 C ATOM 1863 C GLU A 114 -15.396 -4.179 3.047 1.00 0.00 C ATOM 1864 O GLU A 114 -15.890 -3.049 3.105 1.00 0.00 O ATOM 1865 CB GLU A 114 -14.330 -4.717 0.821 1.00 0.00 C ATOM 1866 CG GLU A 114 -15.030 -3.582 0.079 1.00 0.00 C ATOM 1867 CD GLU A 114 -15.192 -3.865 -1.407 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -16.114 -4.626 -1.780 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -14.407 -3.326 -2.213 1.00 0.00 O ATOM 0 H GLU A 114 -13.238 -6.360 2.289 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.456 -3.545 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.376 -4.920 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.933 -5.621 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.012 -3.415 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.460 -2.662 0.210 1.00 0.00 H new ATOM 1876 N LYS A 115 -15.938 -5.246 3.629 1.00 0.00 N ATOM 1877 CA LYS A 115 -17.192 -5.203 4.376 1.00 0.00 C ATOM 1878 C LYS A 115 -16.932 -5.434 5.866 1.00 0.00 C ATOM 1879 O LYS A 115 -17.835 -5.823 6.611 1.00 0.00 O ATOM 1880 CB LYS A 115 -18.143 -6.282 3.835 1.00 0.00 C ATOM 1881 CG LYS A 115 -18.576 -6.056 2.385 1.00 0.00 C ATOM 1882 CD LYS A 115 -18.963 -7.362 1.691 1.00 0.00 C ATOM 1883 CE LYS A 115 -20.034 -8.137 2.453 1.00 0.00 C ATOM 1884 NZ LYS A 115 -20.332 -9.441 1.803 1.00 0.00 N ATOM 0 H LYS A 115 -15.515 -6.173 3.595 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.648 -4.221 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.655 -7.254 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -19.030 -6.321 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -19.422 -5.369 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.764 -5.580 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.325 -7.142 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.077 -7.987 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.701 -8.308 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.945 -7.541 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.876 -10.039 2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -20.888 -9.279 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.441 -9.918 1.557 1.00 0.00 H new ATOM 1898 N ASP A 116 -15.694 -5.189 6.295 1.00 0.00 N ATOM 1899 CA ASP A 116 -15.311 -5.358 7.702 1.00 0.00 C ATOM 1900 C ASP A 116 -16.087 -4.388 8.588 1.00 0.00 C ATOM 1901 O ASP A 116 -16.298 -4.641 9.776 1.00 0.00 O ATOM 1902 CB ASP A 116 -13.800 -5.141 7.875 1.00 0.00 C ATOM 1903 CG ASP A 116 -13.347 -5.233 9.327 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -13.368 -6.348 9.896 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -12.957 -4.190 9.905 1.00 0.00 O ATOM 0 H ASP A 116 -14.936 -4.872 5.690 1.00 0.00 H new ATOM 0 HA ASP A 116 -15.555 -6.376 8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.262 -5.883 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.531 -4.162 7.478 1.00 0.00 H new ATOM 1910 N LYS A 117 -16.520 -3.286 7.994 1.00 0.00 N ATOM 1911 CA LYS A 117 -17.289 -2.276 8.705 1.00 0.00 C ATOM 1912 C LYS A 117 -18.729 -2.755 8.909 1.00 0.00 C ATOM 1913 O LYS A 117 -19.096 -3.067 10.062 1.00 0.00 O ATOM 1914 CB LYS A 117 -17.255 -0.948 7.936 1.00 0.00 C ATOM 1915 CG LYS A 117 -17.927 0.212 8.668 1.00 0.00 C ATOM 1916 CD LYS A 117 -17.681 1.542 7.959 1.00 0.00 C ATOM 1917 CE LYS A 117 -16.191 1.855 7.862 1.00 0.00 C ATOM 1918 NZ LYS A 117 -15.931 3.122 7.130 1.00 0.00 N ATOM 1919 OXT LYS A 117 -19.482 -2.845 7.914 1.00 0.00 O ATOM 0 H LYS A 117 -16.350 -3.068 7.012 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.843 -2.114 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.217 -0.684 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -17.743 -1.086 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.999 0.028 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.548 0.267 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -18.113 1.508 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.188 2.342 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -15.770 1.924 8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -15.681 1.034 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -14.906 3.295 7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.309 3.049 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.395 3.910 7.625 1.00 0.00 H new TER 1933 LYS A 117