USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 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 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.14) USER MOD Set 2.1: A 83 HIS : no HD1:sc= -1.72! C(o=-3.5!,f=-3.3!) USER MOD Set 2.2: A 100 THR OG1 : rot -140:sc= -1.77! USER MOD Set 3.1: A 87 SER OG : rot 72:sc= 1.25 USER MOD Set 3.2: A 98 ASN : amide:sc= -0.0136 K(o=1.2,f=-2.1!) USER MOD Set 4.1: A 62 TYR OH : rot -109:sc= 0.555 USER MOD Set 4.2: A 79 HIS : no HD1:sc= 0.554 K(o=1.1,f=-5.3!) USER MOD Set 5.1: A 28 SER OG : rot -92:sc= 0.613 USER MOD Set 5.2: A 117 HIS :FLIP no HE2:sc= 0.524 F(o=-0.4,f=1.1) USER MOD Set 6.1: A 27 GLN : amide:sc= 0.837 K(o=2,f=-1.2!) USER MOD Set 6.2: A 114 HIS : no HE2:sc= 1.12 K(o=2,f=-6.9!) USER MOD Set 7.1: A 11 GLN : amide:sc= 0.998 K(o=1.5,f=-0.51) USER MOD Set 7.2: A 14 ASN : amide:sc= 0.502 K(o=1.5,f=0.64) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.00539 (180deg=-0.0266) USER MOD Single : A 5 SER OG : rot 17:sc= 0.775 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.104 USER MOD Single : A 18 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 1.04 (180deg=0.968) USER MOD Single : A 24 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.9!) USER MOD Single : A 29 THR OG1 : rot 130:sc=-0.00235 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 35 THR OG1 : rot 166:sc= 0.498 USER MOD Single : A 40 HIS : no HE2:sc= 0.348 K(o=0.35,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot -93:sc= 0.256 USER MOD Single : A 47 SER OG : rot -31:sc= 1.18 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.0222 (180deg=-0.283) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 59 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.7) USER MOD Single : A 64 SER OG : rot 73:sc= 1.24 USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.0225 (180deg=-0.202) USER MOD Single : A 68 SER OG : rot 56:sc= 0.883 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -156:sc= -0.234 (180deg=-0.97) USER MOD Single : A 88 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.18) USER MOD Single : A 92 SER OG : rot -30:sc= 0.248 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.0015 F(o=-1.1,f=-0.0015) USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= -1.81! (180deg=-3.31!) USER MOD Single : A 108 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-5.2!) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0.633 K(o=0.63,f=-2.6!) USER MOD Single : A 116 HIS :FLIP no HE2:sc= 0.139 F(o=-1.3,f=0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.002 28.264 -9.631 1.00 0.00 N ATOM 2 CA MET A 1 9.273 26.809 -9.631 1.00 0.00 C ATOM 3 C MET A 1 8.024 26.042 -9.226 1.00 0.00 C ATOM 4 O MET A 1 7.289 26.466 -8.336 1.00 0.00 O ATOM 5 CB MET A 1 10.405 26.460 -8.659 1.00 0.00 C ATOM 6 CG MET A 1 11.755 27.036 -9.042 1.00 0.00 C ATOM 7 SD MET A 1 13.054 26.553 -7.892 1.00 0.00 S ATOM 8 CE MET A 1 14.461 27.412 -8.588 1.00 0.00 C ATOM 0 H1 MET A 1 9.196 28.653 -10.576 1.00 0.00 H new ATOM 0 H2 MET A 1 8.005 28.431 -9.386 1.00 0.00 H new ATOM 0 H3 MET A 1 9.614 28.731 -8.932 1.00 0.00 H new ATOM 0 HA MET A 1 9.571 26.528 -10.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.138 26.819 -7.665 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.491 25.375 -8.594 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.019 26.702 -10.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.688 28.123 -9.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.346 27.211 -7.984 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.631 27.065 -9.607 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.265 28.484 -8.597 1.00 0.00 H new ATOM 20 N ILE A 2 7.780 24.920 -9.887 1.00 0.00 N ATOM 21 CA ILE A 2 6.688 24.034 -9.511 1.00 0.00 C ATOM 22 C ILE A 2 7.231 22.892 -8.666 1.00 0.00 C ATOM 23 O ILE A 2 8.125 22.165 -9.102 1.00 0.00 O ATOM 24 CB ILE A 2 5.954 23.435 -10.741 1.00 0.00 C ATOM 25 CG1 ILE A 2 5.232 24.516 -11.554 1.00 0.00 C ATOM 26 CG2 ILE A 2 4.962 22.361 -10.307 1.00 0.00 C ATOM 27 CD1 ILE A 2 6.139 25.333 -12.447 1.00 0.00 C ATOM 0 H ILE A 2 8.325 24.601 -10.688 1.00 0.00 H new ATOM 0 HA ILE A 2 5.969 24.632 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 2 6.712 22.983 -11.380 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.467 24.042 -12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.717 25.188 -10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.459 21.955 -11.184 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.494 21.562 -9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.223 22.798 -9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.548 26.074 -12.986 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.889 25.839 -11.839 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.635 24.676 -13.161 1.00 0.00 H new ATOM 39 N GLU A 3 6.704 22.743 -7.458 1.00 0.00 N ATOM 40 CA GLU A 3 7.129 21.668 -6.575 1.00 0.00 C ATOM 41 C GLU A 3 6.685 20.322 -7.149 1.00 0.00 C ATOM 42 O GLU A 3 5.489 20.067 -7.303 1.00 0.00 O ATOM 43 CB GLU A 3 6.552 21.871 -5.173 1.00 0.00 C ATOM 44 CG GLU A 3 7.223 21.018 -4.109 1.00 0.00 C ATOM 45 CD GLU A 3 8.705 21.310 -3.986 1.00 0.00 C ATOM 46 OE1 GLU A 3 9.068 22.476 -3.714 1.00 0.00 O ATOM 47 OE2 GLU A 3 9.518 20.379 -4.163 1.00 0.00 O ATOM 0 H GLU A 3 5.984 23.352 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 3 8.216 21.678 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.648 22.921 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.486 21.642 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.740 21.194 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.082 19.964 -4.349 1.00 0.00 H new ATOM 54 N PRO A 4 7.652 19.461 -7.497 1.00 0.00 N ATOM 55 CA PRO A 4 7.388 18.167 -8.132 1.00 0.00 C ATOM 56 C PRO A 4 6.693 17.183 -7.197 1.00 0.00 C ATOM 57 O PRO A 4 6.982 17.151 -5.999 1.00 0.00 O ATOM 58 CB PRO A 4 8.786 17.646 -8.502 1.00 0.00 C ATOM 59 CG PRO A 4 9.701 18.814 -8.357 1.00 0.00 C ATOM 60 CD PRO A 4 9.089 19.681 -7.300 1.00 0.00 C ATOM 0 HA PRO A 4 6.717 18.274 -8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.086 16.829 -7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.803 17.259 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.702 18.493 -8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.798 19.354 -9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.410 19.389 -6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.360 20.729 -7.428 1.00 0.00 H new ATOM 68 N SER A 5 5.793 16.380 -7.772 1.00 0.00 N ATOM 69 CA SER A 5 5.025 15.360 -7.046 1.00 0.00 C ATOM 70 C SER A 5 4.346 15.929 -5.798 1.00 0.00 C ATOM 71 O SER A 5 4.919 15.948 -4.707 1.00 0.00 O ATOM 72 CB SER A 5 5.902 14.144 -6.695 1.00 0.00 C ATOM 73 OG SER A 5 7.069 14.517 -5.978 1.00 0.00 O ATOM 0 H SER A 5 5.573 16.419 -8.767 1.00 0.00 H new ATOM 0 HA SER A 5 4.234 15.023 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.322 13.438 -6.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.189 13.628 -7.611 1.00 0.00 H new ATOM 0 HG SER A 5 6.955 15.420 -5.615 1.00 0.00 H new ATOM 79 N LYS A 6 3.114 16.385 -5.967 1.00 0.00 N ATOM 80 CA LYS A 6 2.381 17.016 -4.882 1.00 0.00 C ATOM 81 C LYS A 6 1.406 16.034 -4.244 1.00 0.00 C ATOM 82 O LYS A 6 1.243 16.013 -3.023 1.00 0.00 O ATOM 83 CB LYS A 6 1.642 18.248 -5.403 1.00 0.00 C ATOM 84 CG LYS A 6 0.998 19.084 -4.315 1.00 0.00 C ATOM 85 CD LYS A 6 0.735 20.495 -4.806 1.00 0.00 C ATOM 86 CE LYS A 6 0.297 21.407 -3.676 1.00 0.00 C ATOM 87 NZ LYS A 6 0.434 22.839 -4.047 1.00 0.00 N ATOM 0 H LYS A 6 2.601 16.329 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 6 3.091 17.328 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.342 18.871 -5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.872 17.928 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.062 18.623 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.647 19.113 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.638 20.894 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.035 20.475 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.740 21.195 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.895 21.201 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.126 23.435 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.428 23.046 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.156 23.040 -4.879 1.00 0.00 H new ATOM 101 N ILE A 7 0.771 15.212 -5.068 1.00 0.00 N ATOM 102 CA ILE A 7 -0.163 14.216 -4.565 1.00 0.00 C ATOM 103 C ILE A 7 0.375 12.803 -4.794 1.00 0.00 C ATOM 104 O ILE A 7 0.431 12.307 -5.920 1.00 0.00 O ATOM 105 CB ILE A 7 -1.575 14.371 -5.187 1.00 0.00 C ATOM 106 CG1 ILE A 7 -2.489 13.230 -4.724 1.00 0.00 C ATOM 107 CG2 ILE A 7 -1.507 14.430 -6.709 1.00 0.00 C ATOM 108 CD1 ILE A 7 -3.917 13.358 -5.204 1.00 0.00 C ATOM 0 H ILE A 7 0.885 15.215 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.262 14.383 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.996 15.315 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.080 12.283 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.484 13.192 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.513 14.539 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.899 15.282 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.060 13.511 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.501 12.515 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.345 14.287 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.935 13.364 -6.294 1.00 0.00 H new ATOM 120 N THR A 8 0.818 12.181 -3.719 1.00 0.00 N ATOM 121 CA THR A 8 1.327 10.821 -3.769 1.00 0.00 C ATOM 122 C THR A 8 0.556 9.932 -2.799 1.00 0.00 C ATOM 123 O THR A 8 -0.318 10.416 -2.075 1.00 0.00 O ATOM 124 CB THR A 8 2.825 10.791 -3.420 1.00 0.00 C ATOM 125 OG1 THR A 8 3.037 11.412 -2.148 1.00 0.00 O ATOM 126 CG2 THR A 8 3.644 11.511 -4.479 1.00 0.00 C ATOM 0 H THR A 8 0.836 12.600 -2.789 1.00 0.00 H new ATOM 0 HA THR A 8 1.194 10.444 -4.783 1.00 0.00 H new ATOM 0 HB THR A 8 3.147 9.750 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.998 11.534 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.699 11.476 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.500 11.024 -5.444 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.321 12.550 -4.545 1.00 0.00 H new ATOM 134 N VAL A 9 0.874 8.640 -2.782 1.00 0.00 N ATOM 135 CA VAL A 9 0.264 7.721 -1.827 1.00 0.00 C ATOM 136 C VAL A 9 0.555 8.173 -0.400 1.00 0.00 C ATOM 137 O VAL A 9 -0.349 8.257 0.428 1.00 0.00 O ATOM 138 CB VAL A 9 0.770 6.270 -2.007 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.136 5.342 -0.981 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.491 5.769 -3.413 1.00 0.00 C ATOM 0 H VAL A 9 1.547 8.208 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.809 7.734 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 9 1.849 6.272 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.508 4.328 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.393 5.680 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.947 5.352 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.856 4.747 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.582 5.791 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.999 6.409 -4.135 1.00 0.00 H new ATOM 150 N GLU A 10 1.817 8.501 -0.130 1.00 0.00 N ATOM 151 CA GLU A 10 2.226 8.907 1.210 1.00 0.00 C ATOM 152 C GLU A 10 1.610 10.256 1.575 1.00 0.00 C ATOM 153 O GLU A 10 1.404 10.557 2.754 1.00 0.00 O ATOM 154 CB GLU A 10 3.755 8.968 1.325 1.00 0.00 C ATOM 155 CG GLU A 10 4.402 10.059 0.486 1.00 0.00 C ATOM 156 CD GLU A 10 5.909 10.104 0.645 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.385 10.322 1.779 1.00 0.00 O ATOM 158 OE2 GLU A 10 6.623 9.941 -0.369 1.00 0.00 O ATOM 0 H GLU A 10 2.570 8.493 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 10 1.863 8.157 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.023 9.122 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.169 8.004 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.156 9.898 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.982 11.025 0.767 1.00 0.00 H new ATOM 165 N GLN A 11 1.312 11.062 0.557 1.00 0.00 N ATOM 166 CA GLN A 11 0.650 12.341 0.766 1.00 0.00 C ATOM 167 C GLN A 11 -0.748 12.116 1.327 1.00 0.00 C ATOM 168 O GLN A 11 -1.186 12.815 2.238 1.00 0.00 O ATOM 169 CB GLN A 11 0.559 13.131 -0.540 1.00 0.00 C ATOM 170 CG GLN A 11 -0.035 14.518 -0.364 1.00 0.00 C ATOM 171 CD GLN A 11 0.864 15.427 0.445 1.00 0.00 C ATOM 172 OE1 GLN A 11 0.783 15.471 1.672 1.00 0.00 O ATOM 173 NE2 GLN A 11 1.719 16.167 -0.241 1.00 0.00 N ATOM 0 H GLN A 11 1.520 10.849 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 11 1.241 12.918 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.556 13.222 -0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.047 12.572 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.212 14.963 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.004 14.436 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.752 16.098 -1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.346 16.807 0.247 1.00 0.00 H new ATOM 182 N TRP A 12 -1.443 11.128 0.782 1.00 0.00 N ATOM 183 CA TRP A 12 -2.760 10.781 1.278 1.00 0.00 C ATOM 184 C TRP A 12 -2.643 10.082 2.627 1.00 0.00 C ATOM 185 O TRP A 12 -3.393 10.383 3.551 1.00 0.00 O ATOM 186 CB TRP A 12 -3.506 9.887 0.282 1.00 0.00 C ATOM 187 CG TRP A 12 -4.869 9.487 0.758 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.978 10.281 0.827 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.265 8.198 1.240 1.00 0.00 C ATOM 190 NE1 TRP A 12 -7.038 9.565 1.327 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.626 8.284 1.587 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.602 6.979 1.415 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.334 7.200 2.094 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.307 5.904 1.919 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.660 6.022 2.254 1.00 0.00 C ATOM 0 H TRP A 12 -1.117 10.558 0.002 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.331 11.701 1.401 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.599 10.412 -0.669 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.915 8.990 0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.016 11.319 0.532 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.979 9.928 1.480 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.557 6.880 1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.379 7.286 2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.806 4.957 2.057 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.183 5.163 2.648 1.00 0.00 H new ATOM 206 N LEU A 13 -1.679 9.171 2.737 1.00 0.00 N ATOM 207 CA LEU A 13 -1.492 8.382 3.952 1.00 0.00 C ATOM 208 C LEU A 13 -1.286 9.261 5.183 1.00 0.00 C ATOM 209 O LEU A 13 -1.992 9.108 6.177 1.00 0.00 O ATOM 210 CB LEU A 13 -0.312 7.419 3.797 1.00 0.00 C ATOM 211 CG LEU A 13 -0.529 6.277 2.801 1.00 0.00 C ATOM 212 CD1 LEU A 13 0.713 5.408 2.703 1.00 0.00 C ATOM 213 CD2 LEU A 13 -1.729 5.435 3.206 1.00 0.00 C ATOM 0 H LEU A 13 -1.012 8.960 1.995 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.407 7.809 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.563 7.989 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.083 6.990 4.773 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.725 6.713 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.538 4.602 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.555 6.013 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.939 4.984 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.867 4.628 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.559 5.012 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.622 6.060 3.226 1.00 0.00 H new ATOM 225 N ASN A 14 -0.333 10.188 5.120 1.00 0.00 N ATOM 226 CA ASN A 14 -0.013 11.010 6.288 1.00 0.00 C ATOM 227 C ASN A 14 -1.207 11.883 6.680 1.00 0.00 C ATOM 228 O ASN A 14 -1.444 12.133 7.862 1.00 0.00 O ATOM 229 CB ASN A 14 1.237 11.877 6.048 1.00 0.00 C ATOM 230 CG ASN A 14 0.966 13.135 5.234 1.00 0.00 C ATOM 231 OD1 ASN A 14 0.616 14.180 5.782 1.00 0.00 O ATOM 232 ND2 ASN A 14 1.150 13.053 3.927 1.00 0.00 N ATOM 0 H ASN A 14 0.223 10.388 4.289 1.00 0.00 H new ATOM 0 HA ASN A 14 0.209 10.333 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.660 12.163 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.990 11.279 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.002 13.873 3.339 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.440 12.170 3.507 1.00 0.00 H new ATOM 239 N ARG A 15 -1.977 12.314 5.689 1.00 0.00 N ATOM 240 CA ARG A 15 -3.143 13.152 5.933 1.00 0.00 C ATOM 241 C ARG A 15 -4.297 12.311 6.475 1.00 0.00 C ATOM 242 O ARG A 15 -4.995 12.717 7.405 1.00 0.00 O ATOM 243 CB ARG A 15 -3.552 13.864 4.644 1.00 0.00 C ATOM 244 CG ARG A 15 -4.751 14.785 4.795 1.00 0.00 C ATOM 245 CD ARG A 15 -5.031 15.535 3.504 1.00 0.00 C ATOM 246 NE ARG A 15 -3.963 16.479 3.174 1.00 0.00 N ATOM 247 CZ ARG A 15 -3.410 16.595 1.964 1.00 0.00 C ATOM 248 NH1 ARG A 15 -3.785 15.793 0.972 1.00 0.00 N ATOM 249 NH2 ARG A 15 -2.472 17.507 1.752 1.00 0.00 N ATOM 0 H ARG A 15 -1.814 12.096 4.706 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.889 13.904 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.705 14.445 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.776 13.115 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.628 14.202 5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.568 15.497 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.148 14.821 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.975 16.073 3.595 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.619 17.088 3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.500 15.083 1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.358 15.888 0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.174 18.118 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.048 17.598 0.829 1.00 0.00 H new ATOM 263 N TRP A 16 -4.477 11.128 5.896 1.00 0.00 N ATOM 264 CA TRP A 16 -5.506 10.199 6.340 1.00 0.00 C ATOM 265 C TRP A 16 -5.264 9.803 7.792 1.00 0.00 C ATOM 266 O TRP A 16 -6.195 9.752 8.592 1.00 0.00 O ATOM 267 CB TRP A 16 -5.523 8.958 5.441 1.00 0.00 C ATOM 268 CG TRP A 16 -6.634 7.998 5.747 1.00 0.00 C ATOM 269 CD1 TRP A 16 -7.972 8.208 5.570 1.00 0.00 C ATOM 270 CD2 TRP A 16 -6.503 6.671 6.269 1.00 0.00 C ATOM 271 NE1 TRP A 16 -8.679 7.095 5.955 1.00 0.00 N ATOM 272 CE2 TRP A 16 -7.800 6.139 6.387 1.00 0.00 C ATOM 273 CE3 TRP A 16 -5.416 5.882 6.652 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -8.039 4.854 6.870 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -5.654 4.607 7.130 1.00 0.00 C ATOM 276 CH2 TRP A 16 -6.956 4.105 7.235 1.00 0.00 C ATOM 0 H TRP A 16 -3.918 10.790 5.113 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.477 10.689 6.271 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.607 9.276 4.402 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.570 8.438 5.539 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.410 9.116 5.184 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.694 6.997 5.924 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.408 6.261 6.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.043 4.465 6.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -4.821 3.988 7.428 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.108 3.105 7.612 1.00 0.00 H new ATOM 287 N LEU A 17 -4.003 9.543 8.124 1.00 0.00 N ATOM 288 CA LEU A 17 -3.614 9.235 9.494 1.00 0.00 C ATOM 289 C LEU A 17 -3.932 10.400 10.423 1.00 0.00 C ATOM 290 O LEU A 17 -4.505 10.209 11.488 1.00 0.00 O ATOM 291 CB LEU A 17 -2.120 8.896 9.571 1.00 0.00 C ATOM 292 CG LEU A 17 -1.773 7.406 9.482 1.00 0.00 C ATOM 293 CD1 LEU A 17 -2.336 6.783 8.213 1.00 0.00 C ATOM 294 CD2 LEU A 17 -0.267 7.220 9.544 1.00 0.00 C ATOM 0 H LEU A 17 -3.230 9.540 7.458 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.188 8.366 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.605 9.419 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.725 9.287 10.509 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.230 6.897 10.331 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.073 5.726 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.421 6.887 8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.918 7.289 7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.029 6.158 9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.199 7.747 8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.111 7.621 10.485 1.00 0.00 H new ATOM 306 N THR A 18 -3.587 11.610 10.004 1.00 0.00 N ATOM 307 CA THR A 18 -3.821 12.794 10.823 1.00 0.00 C ATOM 308 C THR A 18 -5.305 12.930 11.199 1.00 0.00 C ATOM 309 O THR A 18 -5.645 13.393 12.291 1.00 0.00 O ATOM 310 CB THR A 18 -3.335 14.069 10.097 1.00 0.00 C ATOM 311 OG1 THR A 18 -1.946 13.931 9.757 1.00 0.00 O ATOM 312 CG2 THR A 18 -3.515 15.303 10.969 1.00 0.00 C ATOM 0 H THR A 18 -3.145 11.798 9.104 1.00 0.00 H new ATOM 0 HA THR A 18 -3.248 12.675 11.742 1.00 0.00 H new ATOM 0 HB THR A 18 -3.933 14.192 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.848 13.264 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.164 16.183 10.431 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.570 15.424 11.214 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.940 15.186 11.888 1.00 0.00 H new ATOM 320 N ASP A 19 -6.186 12.494 10.306 1.00 0.00 N ATOM 321 CA ASP A 19 -7.623 12.563 10.557 1.00 0.00 C ATOM 322 C ASP A 19 -8.134 11.306 11.261 1.00 0.00 C ATOM 323 O ASP A 19 -8.719 11.379 12.342 1.00 0.00 O ATOM 324 CB ASP A 19 -8.397 12.767 9.249 1.00 0.00 C ATOM 325 CG ASP A 19 -8.287 14.180 8.711 1.00 0.00 C ATOM 326 OD1 ASP A 19 -8.973 15.081 9.242 1.00 0.00 O ATOM 327 OD2 ASP A 19 -7.520 14.400 7.752 1.00 0.00 O ATOM 0 H ASP A 19 -5.933 12.090 9.404 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.791 13.418 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.024 12.069 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.448 12.527 9.413 1.00 0.00 H new ATOM 332 N TYR A 20 -7.885 10.152 10.661 1.00 0.00 N ATOM 333 CA TYR A 20 -8.516 8.907 11.093 1.00 0.00 C ATOM 334 C TYR A 20 -7.741 8.184 12.193 1.00 0.00 C ATOM 335 O TYR A 20 -8.106 7.074 12.580 1.00 0.00 O ATOM 336 CB TYR A 20 -8.735 7.984 9.893 1.00 0.00 C ATOM 337 CG TYR A 20 -9.940 8.374 9.060 1.00 0.00 C ATOM 338 CD1 TYR A 20 -9.931 9.524 8.280 1.00 0.00 C ATOM 339 CD2 TYR A 20 -11.094 7.597 9.068 1.00 0.00 C ATOM 340 CE1 TYR A 20 -11.034 9.889 7.531 1.00 0.00 C ATOM 341 CE2 TYR A 20 -12.203 7.957 8.322 1.00 0.00 C ATOM 342 CZ TYR A 20 -12.167 9.103 7.555 1.00 0.00 C ATOM 343 OH TYR A 20 -13.273 9.468 6.818 1.00 0.00 O ATOM 0 H TYR A 20 -7.249 10.048 9.871 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.478 9.178 11.528 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.845 7.997 9.264 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.860 6.961 10.246 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.047 10.144 8.259 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.125 6.698 9.666 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.009 10.786 6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.092 7.344 8.340 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.984 8.806 6.945 1.00 0.00 H new ATOM 353 N ALA A 21 -6.681 8.797 12.702 1.00 0.00 N ATOM 354 CA ALA A 21 -5.988 8.241 13.860 1.00 0.00 C ATOM 355 C ALA A 21 -6.517 8.862 15.146 1.00 0.00 C ATOM 356 O ALA A 21 -6.084 8.504 16.243 1.00 0.00 O ATOM 357 CB ALA A 21 -4.483 8.435 13.757 1.00 0.00 C ATOM 0 H ALA A 21 -6.286 9.665 12.340 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.184 7.169 13.880 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.000 8.009 14.636 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.112 7.936 12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.257 9.500 13.699 1.00 0.00 H new ATOM 363 N LYS A 22 -7.451 9.797 15.011 1.00 0.00 N ATOM 364 CA LYS A 22 -8.089 10.394 16.173 1.00 0.00 C ATOM 365 C LYS A 22 -8.961 9.358 16.873 1.00 0.00 C ATOM 366 O LYS A 22 -9.557 8.501 16.212 1.00 0.00 O ATOM 367 CB LYS A 22 -8.920 11.619 15.777 1.00 0.00 C ATOM 368 CG LYS A 22 -8.083 12.792 15.293 1.00 0.00 C ATOM 369 CD LYS A 22 -8.931 14.043 15.123 1.00 0.00 C ATOM 370 CE LYS A 22 -8.098 15.236 14.681 1.00 0.00 C ATOM 371 NZ LYS A 22 -7.570 15.072 13.302 1.00 0.00 N ATOM 0 H LYS A 22 -7.780 10.154 14.114 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.312 10.728 16.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.620 11.334 14.991 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.514 11.937 16.634 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.281 12.988 16.005 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.611 12.538 14.344 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.714 13.854 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.428 14.276 16.065 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.706 16.140 14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.267 15.373 15.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.081 15.943 13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.902 14.275 13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.357 14.883 12.649 1.00 0.00 H new ATOM 385 N PRO A 23 -9.036 9.427 18.215 1.00 0.00 N ATOM 386 CA PRO A 23 -9.734 8.441 19.047 1.00 0.00 C ATOM 387 C PRO A 23 -11.139 8.109 18.555 1.00 0.00 C ATOM 388 O PRO A 23 -12.000 8.987 18.445 1.00 0.00 O ATOM 389 CB PRO A 23 -9.802 9.102 20.435 1.00 0.00 C ATOM 390 CG PRO A 23 -9.337 10.507 20.239 1.00 0.00 C ATOM 391 CD PRO A 23 -8.437 10.481 19.041 1.00 0.00 C ATOM 0 HA PRO A 23 -9.206 7.487 19.034 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.817 9.078 20.830 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.169 8.577 21.150 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.181 11.178 20.079 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.805 10.868 21.119 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.421 11.441 18.525 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.407 10.248 19.312 1.00 0.00 H new ATOM 399 N HIS A 24 -11.346 6.838 18.238 1.00 0.00 N ATOM 400 CA HIS A 24 -12.664 6.320 17.897 1.00 0.00 C ATOM 401 C HIS A 24 -12.918 5.028 18.653 1.00 0.00 C ATOM 402 O HIS A 24 -11.980 4.370 19.106 1.00 0.00 O ATOM 403 CB HIS A 24 -12.797 6.079 16.395 1.00 0.00 C ATOM 404 CG HIS A 24 -13.057 7.324 15.609 1.00 0.00 C ATOM 405 ND1 HIS A 24 -12.065 8.197 15.221 1.00 0.00 N ATOM 406 CD2 HIS A 24 -14.216 7.850 15.152 1.00 0.00 C ATOM 407 CE1 HIS A 24 -12.603 9.207 14.563 1.00 0.00 C ATOM 408 NE2 HIS A 24 -13.908 9.020 14.505 1.00 0.00 N ATOM 0 H HIS A 24 -10.605 6.137 18.210 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.406 7.065 18.184 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -11.883 5.612 16.028 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -13.608 5.373 16.219 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.070 8.081 15.412 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.202 7.427 15.274 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.066 10.045 14.143 1.00 0.00 H new ATOM 417 N LEU A 25 -14.177 4.651 18.779 1.00 0.00 N ATOM 418 CA LEU A 25 -14.530 3.513 19.600 1.00 0.00 C ATOM 419 C LEU A 25 -14.945 2.316 18.747 1.00 0.00 C ATOM 420 O LEU A 25 -16.106 2.196 18.343 1.00 0.00 O ATOM 421 CB LEU A 25 -15.649 3.897 20.576 1.00 0.00 C ATOM 422 CG LEU A 25 -15.661 3.127 21.902 1.00 0.00 C ATOM 423 CD1 LEU A 25 -16.047 1.671 21.689 1.00 0.00 C ATOM 424 CD2 LEU A 25 -14.297 3.228 22.572 1.00 0.00 C ATOM 0 H LEU A 25 -14.965 5.114 18.326 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.649 3.218 20.170 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.567 4.962 20.795 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.608 3.746 20.080 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.411 3.575 22.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.047 1.151 22.647 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -17.043 1.619 21.248 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.329 1.198 21.019 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.313 2.679 23.513 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.537 2.803 21.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.064 4.275 22.766 1.00 0.00 H new ATOM 436 N ARG A 26 -13.973 1.459 18.448 1.00 0.00 N ATOM 437 CA ARG A 26 -14.234 0.154 17.849 1.00 0.00 C ATOM 438 C ARG A 26 -12.957 -0.675 17.803 1.00 0.00 C ATOM 439 O ARG A 26 -12.108 -0.471 16.935 1.00 0.00 O ATOM 440 CB ARG A 26 -14.841 0.264 16.443 1.00 0.00 C ATOM 441 CG ARG A 26 -15.111 -1.093 15.809 1.00 0.00 C ATOM 442 CD ARG A 26 -16.158 -1.013 14.708 1.00 0.00 C ATOM 443 NE ARG A 26 -17.453 -0.545 15.214 1.00 0.00 N ATOM 444 CZ ARG A 26 -18.273 -1.274 15.978 1.00 0.00 C ATOM 445 NH1 ARG A 26 -17.946 -2.510 16.331 1.00 0.00 N ATOM 446 NH2 ARG A 26 -19.428 -0.765 16.386 1.00 0.00 N ATOM 0 H ARG A 26 -12.985 1.649 18.614 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.969 -0.344 18.482 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.773 0.826 16.498 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.164 0.830 15.803 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.183 -1.492 15.398 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.445 -1.791 16.577 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.810 -0.339 13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.280 -1.995 14.252 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.747 0.400 14.966 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.062 -2.912 16.019 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.578 -3.058 16.914 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.691 0.183 16.117 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.053 -1.322 16.969 1.00 0.00 H new ATOM 460 N GLN A 27 -12.838 -1.587 18.769 1.00 0.00 N ATOM 461 CA GLN A 27 -11.720 -2.530 18.858 1.00 0.00 C ATOM 462 C GLN A 27 -10.387 -1.845 19.128 1.00 0.00 C ATOM 463 O GLN A 27 -9.843 -1.135 18.279 1.00 0.00 O ATOM 464 CB GLN A 27 -11.605 -3.387 17.598 1.00 0.00 C ATOM 465 CG GLN A 27 -12.765 -4.343 17.403 1.00 0.00 C ATOM 466 CD GLN A 27 -12.488 -5.367 16.324 1.00 0.00 C ATOM 467 OE1 GLN A 27 -11.341 -5.759 16.104 1.00 0.00 O ATOM 468 NE2 GLN A 27 -13.531 -5.803 15.642 1.00 0.00 N ATOM 0 H GLN A 27 -13.521 -1.694 19.519 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.946 -3.171 19.710 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.535 -2.732 16.729 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.678 -3.959 17.642 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.973 -4.855 18.342 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.660 -3.777 17.143 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.464 -5.452 15.857 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.404 -6.491 14.900 1.00 0.00 H new ATOM 477 N SER A 28 -9.851 -2.084 20.312 1.00 0.00 N ATOM 478 CA SER A 28 -8.525 -1.609 20.652 1.00 0.00 C ATOM 479 C SER A 28 -7.484 -2.489 19.967 1.00 0.00 C ATOM 480 O SER A 28 -7.013 -3.476 20.537 1.00 0.00 O ATOM 481 CB SER A 28 -8.323 -1.634 22.167 1.00 0.00 C ATOM 482 OG SER A 28 -9.466 -1.128 22.838 1.00 0.00 O ATOM 0 H SER A 28 -10.317 -2.606 21.055 1.00 0.00 H new ATOM 0 HA SER A 28 -8.413 -0.581 20.309 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.126 -2.655 22.495 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.448 -1.040 22.431 1.00 0.00 H new ATOM 0 HG SER A 28 -9.359 -0.165 22.986 1.00 0.00 H new ATOM 488 N THR A 29 -7.176 -2.165 18.722 1.00 0.00 N ATOM 489 CA THR A 29 -6.206 -2.926 17.958 1.00 0.00 C ATOM 490 C THR A 29 -4.851 -2.224 18.002 1.00 0.00 C ATOM 491 O THR A 29 -4.775 -1.039 18.334 1.00 0.00 O ATOM 492 CB THR A 29 -6.674 -3.101 16.498 1.00 0.00 C ATOM 493 OG1 THR A 29 -8.061 -3.471 16.480 1.00 0.00 O ATOM 494 CG2 THR A 29 -5.864 -4.171 15.781 1.00 0.00 C ATOM 0 H THR A 29 -7.586 -1.378 18.219 1.00 0.00 H new ATOM 0 HA THR A 29 -6.110 -3.917 18.402 1.00 0.00 H new ATOM 0 HB THR A 29 -6.528 -2.153 15.981 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.547 -2.888 15.860 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.219 -4.269 14.755 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.811 -3.888 15.775 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.981 -5.123 16.298 1.00 0.00 H new ATOM 502 N TRP A 30 -3.792 -2.955 17.684 1.00 0.00 N ATOM 503 CA TRP A 30 -2.442 -2.421 17.767 1.00 0.00 C ATOM 504 C TRP A 30 -2.137 -1.509 16.584 1.00 0.00 C ATOM 505 O TRP A 30 -2.981 -1.283 15.718 1.00 0.00 O ATOM 506 CB TRP A 30 -1.420 -3.560 17.812 1.00 0.00 C ATOM 507 CG TRP A 30 -1.757 -4.625 18.810 1.00 0.00 C ATOM 508 CD1 TRP A 30 -1.912 -4.474 20.158 1.00 0.00 C ATOM 509 CD2 TRP A 30 -1.972 -6.012 18.532 1.00 0.00 C ATOM 510 NE1 TRP A 30 -2.219 -5.684 20.732 1.00 0.00 N ATOM 511 CE2 TRP A 30 -2.258 -6.643 19.755 1.00 0.00 C ATOM 512 CE3 TRP A 30 -1.952 -6.780 17.365 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -2.523 -8.005 19.845 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -2.214 -8.134 17.456 1.00 0.00 C ATOM 515 CH2 TRP A 30 -2.496 -8.733 18.688 1.00 0.00 C ATOM 0 H TRP A 30 -3.843 -3.923 17.365 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.373 -1.836 18.684 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -1.346 -4.011 16.822 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.439 -3.148 18.049 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.809 -3.542 20.694 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -2.390 -5.842 21.725 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.736 -6.324 16.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.742 -8.471 20.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.201 -8.739 16.562 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.697 -9.793 18.726 1.00 0.00 H new ATOM 526 N GLU A 31 -0.913 -1.012 16.548 1.00 0.00 N ATOM 527 CA GLU A 31 -0.461 -0.119 15.490 1.00 0.00 C ATOM 528 C GLU A 31 0.178 -0.913 14.353 1.00 0.00 C ATOM 529 O GLU A 31 0.721 -0.343 13.406 1.00 0.00 O ATOM 530 CB GLU A 31 0.536 0.895 16.066 1.00 0.00 C ATOM 531 CG GLU A 31 1.459 0.322 17.142 1.00 0.00 C ATOM 532 CD GLU A 31 2.314 -0.833 16.651 1.00 0.00 C ATOM 533 OE1 GLU A 31 3.403 -0.577 16.101 1.00 0.00 O ATOM 534 OE2 GLU A 31 1.892 -2.002 16.806 1.00 0.00 O ATOM 0 H GLU A 31 -0.202 -1.215 17.251 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.320 0.416 15.085 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.145 1.291 15.253 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.018 1.734 16.487 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.110 1.115 17.512 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.856 -0.015 17.985 1.00 0.00 H new ATOM 541 N SER A 32 0.085 -2.233 14.457 1.00 0.00 N ATOM 542 CA SER A 32 0.750 -3.147 13.539 1.00 0.00 C ATOM 543 C SER A 32 0.350 -2.888 12.085 1.00 0.00 C ATOM 544 O SER A 32 1.188 -2.963 11.186 1.00 0.00 O ATOM 545 CB SER A 32 0.417 -4.585 13.935 1.00 0.00 C ATOM 546 OG SER A 32 0.619 -4.776 15.327 1.00 0.00 O ATOM 0 H SER A 32 -0.456 -2.701 15.184 1.00 0.00 H new ATOM 0 HA SER A 32 1.825 -2.982 13.609 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.618 -4.809 13.678 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.043 -5.278 13.372 1.00 0.00 H new ATOM 0 HG SER A 32 0.400 -5.701 15.565 1.00 0.00 H new ATOM 552 N TYR A 33 -0.921 -2.558 11.861 1.00 0.00 N ATOM 553 CA TYR A 33 -1.423 -2.331 10.509 1.00 0.00 C ATOM 554 C TYR A 33 -0.765 -1.098 9.895 1.00 0.00 C ATOM 555 O TYR A 33 -0.531 -1.042 8.690 1.00 0.00 O ATOM 556 CB TYR A 33 -2.954 -2.184 10.510 1.00 0.00 C ATOM 557 CG TYR A 33 -3.467 -0.878 11.088 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.379 -0.608 12.449 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.039 0.084 10.264 1.00 0.00 C ATOM 560 CE1 TYR A 33 -3.845 0.585 12.970 1.00 0.00 C ATOM 561 CE2 TYR A 33 -4.506 1.277 10.777 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.408 1.523 12.130 1.00 0.00 C ATOM 563 OH TYR A 33 -4.870 2.714 12.642 1.00 0.00 O ATOM 0 H TYR A 33 -1.619 -2.442 12.596 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.167 -3.198 9.901 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.315 -2.278 9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.384 -3.010 11.077 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.940 -1.341 13.109 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.119 -0.105 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.769 0.781 14.029 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.946 2.014 10.122 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.236 3.262 11.916 1.00 0.00 H new ATOM 573 N GLU A 34 -0.445 -0.127 10.737 1.00 0.00 N ATOM 574 CA GLU A 34 0.196 1.096 10.285 1.00 0.00 C ATOM 575 C GLU A 34 1.672 0.847 10.018 1.00 0.00 C ATOM 576 O GLU A 34 2.185 1.175 8.949 1.00 0.00 O ATOM 577 CB GLU A 34 0.049 2.195 11.338 1.00 0.00 C ATOM 578 CG GLU A 34 0.720 3.506 10.953 1.00 0.00 C ATOM 579 CD GLU A 34 0.982 4.397 12.147 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.027 5.022 12.653 1.00 0.00 O ATOM 581 OE2 GLU A 34 2.151 4.475 12.583 1.00 0.00 O ATOM 0 H GLU A 34 -0.620 -0.164 11.741 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.289 1.417 9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.011 2.378 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.472 1.843 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.663 3.293 10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.090 4.037 10.239 1.00 0.00 H new ATOM 588 N THR A 35 2.336 0.252 11.001 1.00 0.00 N ATOM 589 CA THR A 35 3.773 0.025 10.951 1.00 0.00 C ATOM 590 C THR A 35 4.194 -0.721 9.687 1.00 0.00 C ATOM 591 O THR A 35 5.023 -0.227 8.925 1.00 0.00 O ATOM 592 CB THR A 35 4.239 -0.754 12.192 1.00 0.00 C ATOM 593 OG1 THR A 35 3.752 -0.096 13.368 1.00 0.00 O ATOM 594 CG2 THR A 35 5.757 -0.843 12.248 1.00 0.00 C ATOM 0 H THR A 35 1.893 -0.086 11.855 1.00 0.00 H new ATOM 0 HA THR A 35 4.250 1.005 10.935 1.00 0.00 H new ATOM 0 HB THR A 35 3.843 -1.768 12.136 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.848 -0.692 14.140 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.056 -1.399 13.136 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.125 -1.355 11.358 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.179 0.161 12.289 1.00 0.00 H new ATOM 602 N VAL A 36 3.607 -1.893 9.453 1.00 0.00 N ATOM 603 CA VAL A 36 3.979 -2.710 8.299 1.00 0.00 C ATOM 604 C VAL A 36 3.705 -1.969 6.992 1.00 0.00 C ATOM 605 O VAL A 36 4.495 -2.044 6.040 1.00 0.00 O ATOM 606 CB VAL A 36 3.242 -4.075 8.287 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.602 -4.889 9.519 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.730 -3.896 8.193 1.00 0.00 C ATOM 0 H VAL A 36 2.878 -2.296 10.041 1.00 0.00 H new ATOM 0 HA VAL A 36 5.048 -2.903 8.386 1.00 0.00 H new ATOM 0 HB VAL A 36 3.569 -4.616 7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.075 -5.843 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.677 -5.069 9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.313 -4.340 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.248 -4.873 8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.378 -3.323 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.483 -3.364 7.274 1.00 0.00 H new ATOM 618 N LEU A 37 2.607 -1.223 6.974 1.00 0.00 N ATOM 619 CA LEU A 37 2.180 -0.503 5.790 1.00 0.00 C ATOM 620 C LEU A 37 3.189 0.578 5.433 1.00 0.00 C ATOM 621 O LEU A 37 3.860 0.494 4.404 1.00 0.00 O ATOM 622 CB LEU A 37 0.804 0.125 6.028 1.00 0.00 C ATOM 623 CG LEU A 37 0.133 0.718 4.789 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.223 -0.382 3.803 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.105 1.509 5.179 1.00 0.00 C ATOM 0 H LEU A 37 1.992 -1.103 7.779 1.00 0.00 H new ATOM 0 HA LEU A 37 2.113 -1.206 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.145 -0.634 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.906 0.911 6.777 1.00 0.00 H new ATOM 0 HG LEU A 37 0.835 1.399 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.700 0.056 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.683 -0.906 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.908 -1.086 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.569 1.923 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.813 0.851 5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.822 2.320 5.850 1.00 0.00 H new ATOM 637 N ARG A 38 3.321 1.570 6.309 1.00 0.00 N ATOM 638 CA ARG A 38 4.172 2.723 6.039 1.00 0.00 C ATOM 639 C ARG A 38 5.622 2.306 5.822 1.00 0.00 C ATOM 640 O ARG A 38 6.296 2.832 4.937 1.00 0.00 O ATOM 641 CB ARG A 38 4.075 3.764 7.163 1.00 0.00 C ATOM 642 CG ARG A 38 4.395 3.241 8.556 1.00 0.00 C ATOM 643 CD ARG A 38 4.411 4.374 9.573 1.00 0.00 C ATOM 644 NE ARG A 38 4.416 3.891 10.956 1.00 0.00 N ATOM 645 CZ ARG A 38 5.514 3.543 11.628 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.703 3.564 11.036 1.00 0.00 N ATOM 647 NH2 ARG A 38 5.420 3.161 12.895 1.00 0.00 N ATOM 0 H ARG A 38 2.849 1.598 7.213 1.00 0.00 H new ATOM 0 HA ARG A 38 3.810 3.182 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.754 4.586 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.066 4.176 7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.655 2.496 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.364 2.741 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.291 4.995 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.539 5.009 9.417 1.00 0.00 H new ATOM 0 HE ARG A 38 3.520 3.816 11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.782 3.848 10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.537 3.296 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.509 3.134 13.353 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.259 2.894 13.411 1.00 0.00 H new ATOM 661 N LEU A 39 6.083 1.337 6.606 1.00 0.00 N ATOM 662 CA LEU A 39 7.459 0.863 6.519 1.00 0.00 C ATOM 663 C LEU A 39 7.762 0.290 5.138 1.00 0.00 C ATOM 664 O LEU A 39 8.860 0.468 4.611 1.00 0.00 O ATOM 665 CB LEU A 39 7.721 -0.204 7.585 1.00 0.00 C ATOM 666 CG LEU A 39 9.140 -0.781 7.608 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.148 0.288 8.002 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.214 -1.969 8.554 1.00 0.00 C ATOM 0 H LEU A 39 5.520 0.863 7.312 1.00 0.00 H new ATOM 0 HA LEU A 39 8.115 1.717 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.506 0.225 8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.017 -1.023 7.435 1.00 0.00 H new ATOM 0 HG LEU A 39 9.389 -1.126 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.149 -0.142 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.112 1.105 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.906 0.668 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.229 -2.368 8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.945 -1.650 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.522 -2.743 8.221 1.00 0.00 H new ATOM 680 N HIS A 40 6.792 -0.398 4.550 1.00 0.00 N ATOM 681 CA HIS A 40 7.036 -1.089 3.293 1.00 0.00 C ATOM 682 C HIS A 40 6.592 -0.299 2.066 1.00 0.00 C ATOM 683 O HIS A 40 7.364 -0.151 1.119 1.00 0.00 O ATOM 684 CB HIS A 40 6.378 -2.467 3.305 1.00 0.00 C ATOM 685 CG HIS A 40 7.124 -3.454 4.142 1.00 0.00 C ATOM 686 ND1 HIS A 40 6.772 -3.769 5.433 1.00 0.00 N ATOM 687 CD2 HIS A 40 8.227 -4.184 3.865 1.00 0.00 C ATOM 688 CE1 HIS A 40 7.629 -4.651 5.916 1.00 0.00 C ATOM 689 NE2 HIS A 40 8.524 -4.920 4.982 1.00 0.00 N ATOM 0 H HIS A 40 5.845 -0.491 4.916 1.00 0.00 H new ATOM 0 HA HIS A 40 8.117 -1.199 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.359 -2.375 3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.309 -2.841 2.284 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.975 -3.383 5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.774 -4.187 2.934 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.602 -5.080 6.907 1.00 0.00 H new ATOM 698 N VAL A 41 5.374 0.220 2.071 1.00 0.00 N ATOM 699 CA VAL A 41 4.807 0.776 0.846 1.00 0.00 C ATOM 700 C VAL A 41 5.185 2.244 0.627 1.00 0.00 C ATOM 701 O VAL A 41 5.289 2.684 -0.515 1.00 0.00 O ATOM 702 CB VAL A 41 3.271 0.601 0.789 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.566 1.470 1.819 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.744 0.888 -0.610 1.00 0.00 C ATOM 0 H VAL A 41 4.767 0.269 2.890 1.00 0.00 H new ATOM 0 HA VAL A 41 5.249 0.202 0.031 1.00 0.00 H new ATOM 0 HB VAL A 41 3.053 -0.439 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.489 1.318 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.905 1.197 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.798 2.518 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.662 0.758 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.991 1.913 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.202 0.199 -1.320 1.00 0.00 H new ATOM 714 N ILE A 42 5.422 3.001 1.695 1.00 0.00 N ATOM 715 CA ILE A 42 5.751 4.419 1.538 1.00 0.00 C ATOM 716 C ILE A 42 7.086 4.621 0.807 1.00 0.00 C ATOM 717 O ILE A 42 7.131 5.333 -0.196 1.00 0.00 O ATOM 718 CB ILE A 42 5.756 5.189 2.881 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.327 5.307 3.418 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.384 6.571 2.715 1.00 0.00 C ATOM 721 CD1 ILE A 42 4.204 6.167 4.659 1.00 0.00 C ATOM 0 H ILE A 42 5.394 2.668 2.659 1.00 0.00 H new ATOM 0 HA ILE A 42 4.953 4.837 0.924 1.00 0.00 H new ATOM 0 HB ILE A 42 6.359 4.633 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.689 5.721 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.950 4.309 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.376 7.092 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.412 6.464 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.813 7.145 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.162 6.200 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.813 5.743 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.548 7.177 4.437 1.00 0.00 H new ATOM 733 N PRO A 43 8.191 3.992 1.264 1.00 0.00 N ATOM 734 CA PRO A 43 9.500 4.163 0.626 1.00 0.00 C ATOM 735 C PRO A 43 9.594 3.472 -0.738 1.00 0.00 C ATOM 736 O PRO A 43 10.614 3.570 -1.421 1.00 0.00 O ATOM 737 CB PRO A 43 10.484 3.519 1.615 1.00 0.00 C ATOM 738 CG PRO A 43 9.703 3.258 2.859 1.00 0.00 C ATOM 739 CD PRO A 43 8.278 3.096 2.428 1.00 0.00 C ATOM 0 HA PRO A 43 9.704 5.215 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.895 2.594 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.326 4.181 1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.062 2.361 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.806 4.083 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.050 2.064 2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.581 3.385 3.215 1.00 0.00 H new ATOM 747 N THR A 44 8.543 2.759 -1.124 1.00 0.00 N ATOM 748 CA THR A 44 8.516 2.077 -2.410 1.00 0.00 C ATOM 749 C THR A 44 7.565 2.761 -3.393 1.00 0.00 C ATOM 750 O THR A 44 7.994 3.336 -4.395 1.00 0.00 O ATOM 751 CB THR A 44 8.109 0.600 -2.250 1.00 0.00 C ATOM 752 OG1 THR A 44 6.919 0.500 -1.461 1.00 0.00 O ATOM 753 CG2 THR A 44 9.212 -0.204 -1.591 1.00 0.00 C ATOM 0 H THR A 44 7.699 2.639 -0.564 1.00 0.00 H new ATOM 0 HA THR A 44 9.528 2.127 -2.812 1.00 0.00 H new ATOM 0 HB THR A 44 7.928 0.195 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.160 0.372 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.896 -1.242 -1.492 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.113 -0.156 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.422 0.207 -0.604 1.00 0.00 H new ATOM 761 N LEU A 45 6.274 2.704 -3.094 1.00 0.00 N ATOM 762 CA LEU A 45 5.251 3.200 -4.004 1.00 0.00 C ATOM 763 C LEU A 45 4.588 4.458 -3.453 1.00 0.00 C ATOM 764 O LEU A 45 3.803 5.111 -4.139 1.00 0.00 O ATOM 765 CB LEU A 45 4.191 2.118 -4.227 1.00 0.00 C ATOM 766 CG LEU A 45 4.732 0.760 -4.679 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.606 -0.257 -4.791 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.461 0.895 -6.005 1.00 0.00 C ATOM 0 H LEU A 45 5.909 2.317 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 45 5.729 3.451 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.635 1.979 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.481 2.475 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 45 5.439 0.405 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.012 -1.216 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.125 -0.375 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.873 0.090 -5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.840 -0.080 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.773 1.272 -6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.294 1.589 -5.893 1.00 0.00 H new ATOM 780 N GLY A 46 4.916 4.792 -2.211 1.00 0.00 N ATOM 781 CA GLY A 46 4.283 5.911 -1.538 1.00 0.00 C ATOM 782 C GLY A 46 4.552 7.241 -2.211 1.00 0.00 C ATOM 783 O GLY A 46 3.723 8.148 -2.152 1.00 0.00 O ATOM 0 H GLY A 46 5.616 4.303 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.207 5.742 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.636 5.954 -0.508 1.00 0.00 H new ATOM 787 N SER A 47 5.700 7.356 -2.859 1.00 0.00 N ATOM 788 CA SER A 47 6.076 8.590 -3.537 1.00 0.00 C ATOM 789 C SER A 47 5.512 8.635 -4.961 1.00 0.00 C ATOM 790 O SER A 47 5.936 9.442 -5.790 1.00 0.00 O ATOM 791 CB SER A 47 7.595 8.722 -3.558 1.00 0.00 C ATOM 792 OG SER A 47 8.129 8.605 -2.247 1.00 0.00 O ATOM 0 H SER A 47 6.390 6.609 -2.931 1.00 0.00 H new ATOM 0 HA SER A 47 5.651 9.430 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.023 7.952 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.875 9.685 -3.985 1.00 0.00 H new ATOM 0 HG SER A 47 7.484 8.956 -1.598 1.00 0.00 H new ATOM 798 N ILE A 48 4.550 7.766 -5.233 1.00 0.00 N ATOM 799 CA ILE A 48 3.870 7.737 -6.518 1.00 0.00 C ATOM 800 C ILE A 48 2.394 8.084 -6.317 1.00 0.00 C ATOM 801 O ILE A 48 1.798 7.675 -5.327 1.00 0.00 O ATOM 802 CB ILE A 48 3.992 6.339 -7.177 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.470 5.955 -7.335 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.287 6.308 -8.529 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.686 4.566 -7.898 1.00 0.00 C ATOM 0 H ILE A 48 4.220 7.063 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 48 4.338 8.468 -7.177 1.00 0.00 H new ATOM 0 HB ILE A 48 3.506 5.612 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.956 6.680 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.959 6.023 -6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.388 5.316 -8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.230 6.539 -8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.738 7.047 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.755 4.369 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.231 3.830 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.228 4.498 -8.885 1.00 0.00 H new ATOM 817 N PRO A 49 1.796 8.888 -7.211 1.00 0.00 N ATOM 818 CA PRO A 49 0.359 9.182 -7.154 1.00 0.00 C ATOM 819 C PRO A 49 -0.490 7.932 -7.384 1.00 0.00 C ATOM 820 O PRO A 49 -0.131 7.070 -8.188 1.00 0.00 O ATOM 821 CB PRO A 49 0.145 10.196 -8.284 1.00 0.00 C ATOM 822 CG PRO A 49 1.317 10.026 -9.189 1.00 0.00 C ATOM 823 CD PRO A 49 2.462 9.590 -8.321 1.00 0.00 C ATOM 0 HA PRO A 49 0.059 9.559 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.790 10.007 -8.811 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.092 11.213 -7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.109 9.283 -9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.551 10.959 -9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.147 8.934 -8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.045 10.440 -7.967 1.00 0.00 H new ATOM 831 N LEU A 50 -1.620 7.846 -6.691 1.00 0.00 N ATOM 832 CA LEU A 50 -2.488 6.673 -6.769 1.00 0.00 C ATOM 833 C LEU A 50 -3.043 6.467 -8.176 1.00 0.00 C ATOM 834 O LEU A 50 -3.269 5.338 -8.600 1.00 0.00 O ATOM 835 CB LEU A 50 -3.639 6.789 -5.767 1.00 0.00 C ATOM 836 CG LEU A 50 -3.259 6.517 -4.309 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.409 6.869 -3.379 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.862 5.058 -4.126 1.00 0.00 C ATOM 0 H LEU A 50 -1.959 8.577 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.879 5.804 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.061 7.792 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.425 6.092 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.406 7.146 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.118 6.668 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.654 7.925 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.281 6.266 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.595 4.882 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.699 4.416 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.007 4.831 -4.763 1.00 0.00 H new ATOM 850 N LYS A 51 -3.246 7.560 -8.901 1.00 0.00 N ATOM 851 CA LYS A 51 -3.782 7.483 -10.258 1.00 0.00 C ATOM 852 C LYS A 51 -2.708 7.091 -11.270 1.00 0.00 C ATOM 853 O LYS A 51 -2.995 6.903 -12.453 1.00 0.00 O ATOM 854 CB LYS A 51 -4.411 8.815 -10.661 1.00 0.00 C ATOM 855 CG LYS A 51 -5.659 9.162 -9.869 1.00 0.00 C ATOM 856 CD LYS A 51 -6.267 10.468 -10.344 1.00 0.00 C ATOM 857 CE LYS A 51 -7.595 10.741 -9.662 1.00 0.00 C ATOM 858 NZ LYS A 51 -8.235 11.979 -10.173 1.00 0.00 N ATOM 0 H LYS A 51 -3.049 8.507 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.547 6.707 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.676 9.609 -10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.661 8.783 -11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.391 8.360 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.411 9.237 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.577 11.287 -10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.411 10.432 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.264 9.895 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.440 10.830 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.139 12.130 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.608 12.791 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.407 11.885 -11.194 1.00 0.00 H new ATOM 872 N LYS A 52 -1.472 6.969 -10.808 1.00 0.00 N ATOM 873 CA LYS A 52 -0.375 6.570 -11.678 1.00 0.00 C ATOM 874 C LYS A 52 0.205 5.230 -11.226 1.00 0.00 C ATOM 875 O LYS A 52 0.969 4.588 -11.951 1.00 0.00 O ATOM 876 CB LYS A 52 0.713 7.648 -11.690 1.00 0.00 C ATOM 877 CG LYS A 52 1.824 7.366 -12.683 1.00 0.00 C ATOM 878 CD LYS A 52 2.886 8.447 -12.676 1.00 0.00 C ATOM 879 CE LYS A 52 3.937 8.184 -13.742 1.00 0.00 C ATOM 880 NZ LYS A 52 3.365 8.236 -15.114 1.00 0.00 N ATOM 0 H LYS A 52 -1.204 7.140 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.760 6.454 -12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.259 8.610 -11.926 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.141 7.734 -10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.284 6.406 -12.448 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.401 7.281 -13.684 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.423 9.418 -12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.360 8.490 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.735 8.921 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.387 7.206 -13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.135 8.323 -15.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.829 7.365 -15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.731 9.056 -15.195 1.00 0.00 H new ATOM 894 N LEU A 53 -0.180 4.810 -10.032 1.00 0.00 N ATOM 895 CA LEU A 53 0.303 3.569 -9.451 1.00 0.00 C ATOM 896 C LEU A 53 -0.243 2.376 -10.238 1.00 0.00 C ATOM 897 O LEU A 53 -1.455 2.185 -10.344 1.00 0.00 O ATOM 898 CB LEU A 53 -0.103 3.518 -7.966 1.00 0.00 C ATOM 899 CG LEU A 53 0.437 2.343 -7.136 1.00 0.00 C ATOM 900 CD1 LEU A 53 -0.402 1.097 -7.347 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.892 2.057 -7.475 1.00 0.00 C ATOM 0 H LEU A 53 -0.835 5.319 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 53 1.390 3.522 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.223 4.445 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.192 3.499 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 53 0.376 2.628 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.002 0.281 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.430 1.295 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.381 0.819 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.248 1.221 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.977 1.805 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.495 2.940 -7.263 1.00 0.00 H new ATOM 913 N GLN A 54 0.666 1.594 -10.805 1.00 0.00 N ATOM 914 CA GLN A 54 0.293 0.444 -11.614 1.00 0.00 C ATOM 915 C GLN A 54 0.137 -0.802 -10.750 1.00 0.00 C ATOM 916 O GLN A 54 0.843 -0.971 -9.756 1.00 0.00 O ATOM 917 CB GLN A 54 1.351 0.186 -12.688 1.00 0.00 C ATOM 918 CG GLN A 54 1.520 1.325 -13.680 1.00 0.00 C ATOM 919 CD GLN A 54 2.616 1.050 -14.692 1.00 0.00 C ATOM 920 OE1 GLN A 54 2.887 -0.102 -15.035 1.00 0.00 O ATOM 921 NE2 GLN A 54 3.261 2.102 -15.167 1.00 0.00 N ATOM 0 H GLN A 54 1.672 1.737 -10.718 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.663 0.665 -12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.308 -0.003 -12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.086 -0.720 -13.233 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.578 1.490 -14.204 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.750 2.243 -13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.006 3.040 -14.857 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.014 1.976 -15.843 1.00 0.00 H new ATOM 930 N PRO A 55 -0.792 -1.698 -11.124 1.00 0.00 N ATOM 931 CA PRO A 55 -0.962 -2.991 -10.452 1.00 0.00 C ATOM 932 C PRO A 55 0.319 -3.821 -10.494 1.00 0.00 C ATOM 933 O PRO A 55 0.566 -4.653 -9.620 1.00 0.00 O ATOM 934 CB PRO A 55 -2.066 -3.675 -11.264 1.00 0.00 C ATOM 935 CG PRO A 55 -2.798 -2.559 -11.926 1.00 0.00 C ATOM 936 CD PRO A 55 -1.766 -1.509 -12.212 1.00 0.00 C ATOM 0 HA PRO A 55 -1.205 -2.878 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.648 -4.364 -11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.728 -4.256 -10.621 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.278 -2.896 -12.845 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.584 -2.169 -11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.309 -1.648 -13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.195 -0.507 -12.200 1.00 0.00 H new ATOM 944 N ALA A 56 1.133 -3.576 -11.516 1.00 0.00 N ATOM 945 CA ALA A 56 2.406 -4.262 -11.668 1.00 0.00 C ATOM 946 C ALA A 56 3.348 -3.911 -10.523 1.00 0.00 C ATOM 947 O ALA A 56 4.089 -4.762 -10.037 1.00 0.00 O ATOM 948 CB ALA A 56 3.039 -3.906 -13.003 1.00 0.00 C ATOM 0 H ALA A 56 0.929 -2.902 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 56 2.223 -5.336 -11.642 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.992 -4.426 -13.104 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.374 -4.206 -13.813 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.206 -2.830 -13.051 1.00 0.00 H new ATOM 954 N ASP A 57 3.300 -2.657 -10.087 1.00 0.00 N ATOM 955 CA ASP A 57 4.145 -2.187 -8.993 1.00 0.00 C ATOM 956 C ASP A 57 3.748 -2.847 -7.681 1.00 0.00 C ATOM 957 O ASP A 57 4.603 -3.207 -6.873 1.00 0.00 O ATOM 958 CB ASP A 57 4.061 -0.665 -8.856 1.00 0.00 C ATOM 959 CG ASP A 57 4.823 0.059 -9.944 1.00 0.00 C ATOM 960 OD1 ASP A 57 6.053 0.226 -9.796 1.00 0.00 O ATOM 961 OD2 ASP A 57 4.201 0.450 -10.954 1.00 0.00 O ATOM 0 H ASP A 57 2.682 -1.944 -10.476 1.00 0.00 H new ATOM 0 HA ASP A 57 5.174 -2.462 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.015 -0.358 -8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.454 -0.369 -7.883 1.00 0.00 H new ATOM 966 N ILE A 58 2.447 -3.009 -7.480 1.00 0.00 N ATOM 967 CA ILE A 58 1.931 -3.674 -6.288 1.00 0.00 C ATOM 968 C ILE A 58 2.344 -5.145 -6.274 1.00 0.00 C ATOM 969 O ILE A 58 2.766 -5.673 -5.244 1.00 0.00 O ATOM 970 CB ILE A 58 0.392 -3.562 -6.204 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.021 -2.101 -6.033 1.00 0.00 C ATOM 972 CG2 ILE A 58 -0.154 -4.406 -5.059 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.519 -1.894 -5.971 1.00 0.00 C ATOM 0 H ILE A 58 1.727 -2.689 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 58 2.360 -3.173 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.030 -3.941 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.429 -1.710 -5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.383 -1.519 -6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.239 -4.310 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.112 -5.451 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.274 -4.062 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.735 -0.833 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.974 -2.253 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.928 -2.447 -5.125 1.00 0.00 H new ATOM 985 N GLN A 59 2.234 -5.792 -7.430 1.00 0.00 N ATOM 986 CA GLN A 59 2.651 -7.181 -7.577 1.00 0.00 C ATOM 987 C GLN A 59 4.149 -7.288 -7.310 1.00 0.00 C ATOM 988 O GLN A 59 4.606 -8.173 -6.584 1.00 0.00 O ATOM 989 CB GLN A 59 2.312 -7.682 -8.991 1.00 0.00 C ATOM 990 CG GLN A 59 2.300 -9.200 -9.138 1.00 0.00 C ATOM 991 CD GLN A 59 3.681 -9.832 -9.147 1.00 0.00 C ATOM 992 OE1 GLN A 59 4.658 -9.231 -9.602 1.00 0.00 O ATOM 993 NE2 GLN A 59 3.768 -11.052 -8.644 1.00 0.00 N ATOM 0 H GLN A 59 1.858 -5.374 -8.281 1.00 0.00 H new ATOM 0 HA GLN A 59 2.119 -7.804 -6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.334 -7.294 -9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.036 -7.267 -9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.721 -9.629 -8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.787 -9.461 -10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.935 -11.513 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.668 -11.532 -8.622 1.00 0.00 H new ATOM 1002 N ARG A 60 4.896 -6.353 -7.883 1.00 0.00 N ATOM 1003 CA ARG A 60 6.341 -6.316 -7.735 1.00 0.00 C ATOM 1004 C ARG A 60 6.736 -6.132 -6.274 1.00 0.00 C ATOM 1005 O ARG A 60 7.726 -6.702 -5.820 1.00 0.00 O ATOM 1006 CB ARG A 60 6.934 -5.189 -8.584 1.00 0.00 C ATOM 1007 CG ARG A 60 8.448 -5.241 -8.676 1.00 0.00 C ATOM 1008 CD ARG A 60 8.999 -4.188 -9.622 1.00 0.00 C ATOM 1009 NE ARG A 60 9.176 -2.893 -8.971 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.367 -2.328 -8.771 1.00 0.00 C ATOM 1011 NH1 ARG A 60 11.475 -2.938 -9.192 1.00 0.00 N ATOM 1012 NH2 ARG A 60 10.444 -1.151 -8.163 1.00 0.00 N ATOM 0 H ARG A 60 4.517 -5.603 -8.461 1.00 0.00 H new ATOM 0 HA ARG A 60 6.740 -7.270 -8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.514 -5.240 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.635 -4.229 -8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.876 -5.096 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.756 -6.230 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.956 -4.526 -10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.323 -4.076 -10.470 1.00 0.00 H new ATOM 0 HE ARG A 60 8.345 -2.395 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.412 -3.838 -9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.386 -2.505 -9.038 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.594 -0.682 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.353 -0.716 -8.008 1.00 0.00 H new ATOM 1026 N LEU A 61 5.961 -5.337 -5.548 1.00 0.00 N ATOM 1027 CA LEU A 61 6.222 -5.092 -4.134 1.00 0.00 C ATOM 1028 C LEU A 61 6.165 -6.404 -3.351 1.00 0.00 C ATOM 1029 O LEU A 61 7.072 -6.714 -2.577 1.00 0.00 O ATOM 1030 CB LEU A 61 5.205 -4.070 -3.588 1.00 0.00 C ATOM 1031 CG LEU A 61 5.475 -3.503 -2.182 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.039 -4.473 -1.091 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.946 -3.154 -2.023 1.00 0.00 C ATOM 0 H LEU A 61 5.144 -4.849 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 61 7.223 -4.677 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.154 -3.235 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.222 -4.540 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 61 4.882 -2.595 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.246 -4.038 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.971 -4.668 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.589 -5.409 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.119 -2.755 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.550 -4.050 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.225 -2.407 -2.766 1.00 0.00 H new ATOM 1045 N TYR A 62 5.108 -7.180 -3.580 1.00 0.00 N ATOM 1046 CA TYR A 62 4.939 -8.464 -2.901 1.00 0.00 C ATOM 1047 C TYR A 62 6.081 -9.414 -3.240 1.00 0.00 C ATOM 1048 O TYR A 62 6.635 -10.084 -2.367 1.00 0.00 O ATOM 1049 CB TYR A 62 3.620 -9.125 -3.305 1.00 0.00 C ATOM 1050 CG TYR A 62 2.378 -8.337 -2.956 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.265 -7.657 -1.748 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.303 -8.299 -3.831 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.113 -6.963 -1.428 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.153 -7.603 -3.521 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.061 -6.938 -2.320 1.00 0.00 C ATOM 1056 OH TYR A 62 -1.094 -6.258 -2.002 1.00 0.00 O ATOM 0 H TYR A 62 4.357 -6.944 -4.229 1.00 0.00 H new ATOM 0 HA TYR A 62 4.936 -8.264 -1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.632 -9.298 -4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.559 -10.102 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.089 -7.671 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.367 -8.824 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.037 -6.443 -0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.672 -7.580 -4.218 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.815 -6.900 -1.831 1.00 0.00 H new ATOM 1066 N ALA A 63 6.418 -9.467 -4.519 1.00 0.00 N ATOM 1067 CA ALA A 63 7.416 -10.401 -5.015 1.00 0.00 C ATOM 1068 C ALA A 63 8.825 -10.019 -4.575 1.00 0.00 C ATOM 1069 O ALA A 63 9.563 -10.847 -4.043 1.00 0.00 O ATOM 1070 CB ALA A 63 7.343 -10.475 -6.530 1.00 0.00 C ATOM 0 H ALA A 63 6.011 -8.869 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 63 7.196 -11.380 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.093 -11.176 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.352 -10.814 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.532 -9.488 -6.952 1.00 0.00 H new ATOM 1076 N SER A 64 9.188 -8.764 -4.778 1.00 0.00 N ATOM 1077 CA SER A 64 10.551 -8.317 -4.527 1.00 0.00 C ATOM 1078 C SER A 64 10.886 -8.359 -3.039 1.00 0.00 C ATOM 1079 O SER A 64 12.017 -8.664 -2.659 1.00 0.00 O ATOM 1080 CB SER A 64 10.749 -6.908 -5.079 1.00 0.00 C ATOM 1081 OG SER A 64 10.342 -6.840 -6.437 1.00 0.00 O ATOM 0 H SER A 64 8.559 -8.035 -5.116 1.00 0.00 H new ATOM 0 HA SER A 64 11.231 -8.999 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.175 -6.196 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.797 -6.622 -4.994 1.00 0.00 H new ATOM 0 HG SER A 64 9.364 -6.878 -6.488 1.00 0.00 H new ATOM 1087 N LYS A 65 9.907 -8.072 -2.194 1.00 0.00 N ATOM 1088 CA LYS A 65 10.129 -8.124 -0.759 1.00 0.00 C ATOM 1089 C LYS A 65 10.120 -9.562 -0.249 1.00 0.00 C ATOM 1090 O LYS A 65 10.706 -9.859 0.792 1.00 0.00 O ATOM 1091 CB LYS A 65 9.121 -7.259 -0.010 1.00 0.00 C ATOM 1092 CG LYS A 65 9.569 -5.811 0.109 1.00 0.00 C ATOM 1093 CD LYS A 65 10.925 -5.722 0.799 1.00 0.00 C ATOM 1094 CE LYS A 65 11.443 -4.294 0.874 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.625 -3.691 -0.473 1.00 0.00 N ATOM 0 H LYS A 65 8.963 -7.804 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 65 11.120 -7.714 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.161 -7.297 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.965 -7.670 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.629 -5.361 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.830 -5.242 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.845 -6.130 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.645 -6.339 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.746 -3.686 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.394 -4.282 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.179 -2.815 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.129 -4.361 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.695 -3.475 -0.885 1.00 0.00 H new ATOM 1109 N LEU A 66 9.477 -10.456 -0.990 1.00 0.00 N ATOM 1110 CA LEU A 66 9.584 -11.882 -0.710 1.00 0.00 C ATOM 1111 C LEU A 66 11.021 -12.322 -0.967 1.00 0.00 C ATOM 1112 O LEU A 66 11.614 -13.059 -0.178 1.00 0.00 O ATOM 1113 CB LEU A 66 8.623 -12.686 -1.593 1.00 0.00 C ATOM 1114 CG LEU A 66 8.602 -14.195 -1.334 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.031 -14.494 0.045 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.803 -14.909 -2.414 1.00 0.00 C ATOM 0 H LEU A 66 8.880 -10.221 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 66 9.315 -12.066 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.615 -12.296 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.888 -12.517 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 66 9.627 -14.565 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.024 -15.571 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.647 -14.014 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.012 -14.111 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.798 -15.981 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.779 -14.536 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.259 -14.723 -3.387 1.00 0.00 H new ATOM 1128 N GLU A 67 11.579 -11.830 -2.073 1.00 0.00 N ATOM 1129 CA GLU A 67 12.980 -12.068 -2.420 1.00 0.00 C ATOM 1130 C GLU A 67 13.903 -11.435 -1.381 1.00 0.00 C ATOM 1131 O GLU A 67 15.036 -11.874 -1.186 1.00 0.00 O ATOM 1132 CB GLU A 67 13.293 -11.480 -3.800 1.00 0.00 C ATOM 1133 CG GLU A 67 12.391 -11.993 -4.910 1.00 0.00 C ATOM 1134 CD GLU A 67 12.557 -13.475 -5.172 1.00 0.00 C ATOM 1135 OE1 GLU A 67 11.955 -14.284 -4.446 1.00 0.00 O ATOM 1136 OE2 GLU A 67 13.283 -13.836 -6.124 1.00 0.00 O ATOM 0 H GLU A 67 11.075 -11.258 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 67 13.147 -13.145 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.207 -10.395 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.329 -11.707 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.352 -11.790 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.603 -11.442 -5.826 1.00 0.00 H new ATOM 1143 N SER A 68 13.400 -10.403 -0.710 1.00 0.00 N ATOM 1144 CA SER A 68 14.172 -9.685 0.297 1.00 0.00 C ATOM 1145 C SER A 68 14.211 -10.449 1.620 1.00 0.00 C ATOM 1146 O SER A 68 14.932 -10.070 2.541 1.00 0.00 O ATOM 1147 CB SER A 68 13.583 -8.291 0.517 1.00 0.00 C ATOM 1148 OG SER A 68 13.545 -7.554 -0.695 1.00 0.00 O ATOM 0 H SER A 68 12.455 -10.044 -0.847 1.00 0.00 H new ATOM 0 HA SER A 68 15.194 -9.592 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.576 -8.379 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.179 -7.753 1.254 1.00 0.00 H new ATOM 0 HG SER A 68 13.045 -8.059 -1.370 1.00 0.00 H new ATOM 1154 N GLY A 69 13.431 -11.518 1.720 1.00 0.00 N ATOM 1155 CA GLY A 69 13.485 -12.351 2.905 1.00 0.00 C ATOM 1156 C GLY A 69 12.290 -12.184 3.819 1.00 0.00 C ATOM 1157 O GLY A 69 12.377 -12.473 5.014 1.00 0.00 O ATOM 0 H GLY A 69 12.767 -11.821 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.556 -13.395 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.393 -12.118 3.462 1.00 0.00 H new ATOM 1161 N LEU A 70 11.177 -11.717 3.275 1.00 0.00 N ATOM 1162 CA LEU A 70 9.953 -11.613 4.054 1.00 0.00 C ATOM 1163 C LEU A 70 9.199 -12.933 4.025 1.00 0.00 C ATOM 1164 O LEU A 70 9.180 -13.624 3.005 1.00 0.00 O ATOM 1165 CB LEU A 70 9.059 -10.486 3.538 1.00 0.00 C ATOM 1166 CG LEU A 70 9.515 -9.073 3.896 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.558 -8.045 3.318 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.612 -8.915 5.405 1.00 0.00 C ATOM 0 H LEU A 70 11.096 -11.407 2.307 1.00 0.00 H new ATOM 0 HA LEU A 70 10.229 -11.380 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.994 -10.565 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.053 -10.635 3.929 1.00 0.00 H new ATOM 0 HG LEU A 70 10.502 -8.908 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.897 -7.043 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.529 -8.144 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.560 -8.209 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.938 -7.903 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.635 -9.097 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.332 -9.631 5.800 1.00 0.00 H new ATOM 1180 N SER A 71 8.593 -13.283 5.145 1.00 0.00 N ATOM 1181 CA SER A 71 7.847 -14.522 5.251 1.00 0.00 C ATOM 1182 C SER A 71 6.547 -14.421 4.459 1.00 0.00 C ATOM 1183 O SER A 71 5.874 -13.388 4.498 1.00 0.00 O ATOM 1184 CB SER A 71 7.560 -14.819 6.720 1.00 0.00 C ATOM 1185 OG SER A 71 8.746 -14.706 7.493 1.00 0.00 O ATOM 0 H SER A 71 8.604 -12.723 5.997 1.00 0.00 H new ATOM 0 HA SER A 71 8.438 -15.338 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.807 -14.127 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.148 -15.823 6.820 1.00 0.00 H new ATOM 0 HG SER A 71 8.544 -14.898 8.432 1.00 0.00 H new ATOM 1191 N PRO A 72 6.177 -15.490 3.733 1.00 0.00 N ATOM 1192 CA PRO A 72 4.998 -15.500 2.858 1.00 0.00 C ATOM 1193 C PRO A 72 3.723 -15.075 3.578 1.00 0.00 C ATOM 1194 O PRO A 72 2.888 -14.378 3.010 1.00 0.00 O ATOM 1195 CB PRO A 72 4.888 -16.962 2.396 1.00 0.00 C ATOM 1196 CG PRO A 72 5.800 -17.733 3.289 1.00 0.00 C ATOM 1197 CD PRO A 72 6.881 -16.777 3.701 1.00 0.00 C ATOM 0 HA PRO A 72 5.110 -14.790 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.863 -17.323 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.181 -17.066 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.264 -18.114 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.219 -18.595 2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.300 -17.034 4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.707 -16.769 2.990 1.00 0.00 H new ATOM 1205 N THR A 73 3.585 -15.488 4.830 1.00 0.00 N ATOM 1206 CA THR A 73 2.411 -15.154 5.620 1.00 0.00 C ATOM 1207 C THR A 73 2.379 -13.665 5.960 1.00 0.00 C ATOM 1208 O THR A 73 1.318 -13.040 5.953 1.00 0.00 O ATOM 1209 CB THR A 73 2.381 -15.965 6.923 1.00 0.00 C ATOM 1210 OG1 THR A 73 2.678 -17.341 6.644 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.021 -15.860 7.601 1.00 0.00 C ATOM 0 H THR A 73 4.275 -16.057 5.321 1.00 0.00 H new ATOM 0 HA THR A 73 1.537 -15.401 5.018 1.00 0.00 H new ATOM 0 HB THR A 73 3.133 -15.557 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.660 -17.855 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.027 -16.444 8.521 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.811 -14.816 7.835 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.251 -16.245 6.933 1.00 0.00 H new ATOM 1219 N ARG A 74 3.543 -13.093 6.238 1.00 0.00 N ATOM 1220 CA ARG A 74 3.612 -11.695 6.633 1.00 0.00 C ATOM 1221 C ARG A 74 3.449 -10.797 5.412 1.00 0.00 C ATOM 1222 O ARG A 74 2.863 -9.720 5.500 1.00 0.00 O ATOM 1223 CB ARG A 74 4.921 -11.399 7.372 1.00 0.00 C ATOM 1224 CG ARG A 74 4.818 -10.196 8.296 1.00 0.00 C ATOM 1225 CD ARG A 74 5.877 -10.222 9.391 1.00 0.00 C ATOM 1226 NE ARG A 74 7.209 -9.867 8.905 1.00 0.00 N ATOM 1227 CZ ARG A 74 7.849 -8.751 9.262 1.00 0.00 C ATOM 1228 NH1 ARG A 74 7.262 -7.875 10.071 1.00 0.00 N ATOM 1229 NH2 ARG A 74 9.077 -8.514 8.826 1.00 0.00 N ATOM 0 H ARG A 74 4.443 -13.571 6.198 1.00 0.00 H new ATOM 0 HA ARG A 74 2.794 -11.486 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.210 -12.274 7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.713 -11.225 6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.923 -9.281 7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.828 -10.172 8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.589 -9.531 10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.911 -11.218 9.833 1.00 0.00 H new ATOM 0 HE ARG A 74 7.674 -10.505 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.321 -8.055 10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.753 -7.023 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.539 -9.186 8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.560 -7.659 9.103 1.00 0.00 H new ATOM 1243 N VAL A 75 3.951 -11.259 4.269 1.00 0.00 N ATOM 1244 CA VAL A 75 3.694 -10.585 2.998 1.00 0.00 C ATOM 1245 C VAL A 75 2.211 -10.698 2.660 1.00 0.00 C ATOM 1246 O VAL A 75 1.600 -9.771 2.128 1.00 0.00 O ATOM 1247 CB VAL A 75 4.520 -11.195 1.842 1.00 0.00 C ATOM 1248 CG1 VAL A 75 4.232 -10.479 0.528 1.00 0.00 C ATOM 1249 CG2 VAL A 75 6.004 -11.145 2.159 1.00 0.00 C ATOM 0 H VAL A 75 4.535 -12.092 4.196 1.00 0.00 H new ATOM 0 HA VAL A 75 3.988 -9.541 3.110 1.00 0.00 H new ATOM 0 HB VAL A 75 4.224 -12.238 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.826 -10.928 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.173 -10.572 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.491 -9.425 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.567 -11.579 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.311 -10.109 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.201 -11.711 3.069 1.00 0.00 H new ATOM 1259 N ARG A 76 1.642 -11.851 2.990 1.00 0.00 N ATOM 1260 CA ARG A 76 0.223 -12.107 2.796 1.00 0.00 C ATOM 1261 C ARG A 76 -0.614 -11.127 3.615 1.00 0.00 C ATOM 1262 O ARG A 76 -1.666 -10.667 3.164 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.097 -13.552 3.186 1.00 0.00 C ATOM 1264 CG ARG A 76 -1.561 -13.934 3.053 1.00 0.00 C ATOM 1265 CD ARG A 76 -1.783 -15.399 3.408 1.00 0.00 C ATOM 1266 NE ARG A 76 -1.135 -16.301 2.456 1.00 0.00 N ATOM 1267 CZ ARG A 76 -0.345 -17.318 2.806 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -0.130 -17.588 4.086 1.00 0.00 N ATOM 1269 NH2 ARG A 76 0.210 -18.079 1.872 1.00 0.00 N ATOM 0 H ARG A 76 2.152 -12.634 3.399 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.025 -11.963 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.498 -14.222 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.215 -13.713 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.165 -13.303 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.896 -13.750 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.397 -15.591 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.853 -15.607 3.433 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.297 -16.143 1.462 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.569 -17.017 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.475 -18.366 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.033 -17.887 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.814 -18.856 2.140 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.143 -10.809 4.818 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.804 -9.810 5.649 1.00 0.00 C ATOM 1285 C TYR A 77 -0.676 -8.421 5.026 1.00 0.00 C ATOM 1286 O TYR A 77 -1.650 -7.669 4.963 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.225 -9.801 7.067 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.974 -8.882 8.014 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -2.140 -9.304 8.644 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.527 -7.590 8.264 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.833 -8.467 9.498 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -1.217 -6.748 9.116 1.00 0.00 C ATOM 1293 CZ TYR A 77 -2.370 -7.191 9.727 1.00 0.00 C ATOM 1294 OH TYR A 77 -3.062 -6.354 10.571 1.00 0.00 O ATOM 0 H TYR A 77 0.689 -11.226 5.236 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.860 -10.075 5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.243 -10.815 7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.820 -9.494 7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.510 -10.302 8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.374 -7.238 7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.734 -8.812 9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.854 -5.748 9.302 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.602 -5.491 10.625 1.00 0.00 H new ATOM 1304 N ILE A 78 0.525 -8.092 4.557 1.00 0.00 N ATOM 1305 CA ILE A 78 0.774 -6.808 3.905 1.00 0.00 C ATOM 1306 C ILE A 78 -0.149 -6.635 2.702 1.00 0.00 C ATOM 1307 O ILE A 78 -0.644 -5.539 2.432 1.00 0.00 O ATOM 1308 CB ILE A 78 2.249 -6.677 3.452 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.183 -6.750 4.665 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.467 -5.376 2.689 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.656 -6.721 4.309 1.00 0.00 C ATOM 0 H ILE A 78 1.343 -8.698 4.616 1.00 0.00 H new ATOM 0 HA ILE A 78 0.570 -6.025 4.635 1.00 0.00 H new ATOM 0 HB ILE A 78 2.479 -7.506 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.964 -5.915 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.971 -7.664 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.510 -5.305 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.826 -5.359 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.221 -4.531 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.252 -6.776 5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.892 -7.571 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.885 -5.795 3.782 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.395 -7.734 2.002 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.288 -7.738 0.852 1.00 0.00 C ATOM 1325 C HIS A 79 -2.664 -7.165 1.197 1.00 0.00 C ATOM 1326 O HIS A 79 -3.164 -6.274 0.507 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.428 -9.167 0.296 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.606 -9.366 -0.619 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.001 -8.440 -1.560 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -3.495 -10.383 -0.702 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.082 -8.878 -2.180 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -4.402 -10.057 -1.680 1.00 0.00 N ATOM 0 H HIS A 79 0.016 -8.643 2.214 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.848 -7.096 0.089 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.517 -9.425 -0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.511 -9.862 1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.492 -11.285 -0.108 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.614 -8.359 -2.964 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.193 -10.631 -1.972 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.272 -7.674 2.255 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.650 -7.331 2.558 1.00 0.00 C ATOM 1343 C VAL A 80 -4.763 -5.972 3.239 1.00 0.00 C ATOM 1344 O VAL A 80 -5.692 -5.215 2.952 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.339 -8.427 3.397 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.400 -9.717 2.594 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.624 -8.654 4.723 1.00 0.00 C ATOM 0 H VAL A 80 -2.837 -8.321 2.913 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.173 -7.264 1.604 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.351 -8.096 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.887 -10.492 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.968 -9.549 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.389 -10.036 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.139 -9.433 5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.596 -8.963 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.625 -7.729 5.300 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.803 -5.643 4.099 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.819 -4.357 4.780 1.00 0.00 C ATOM 1359 C VAL A 81 -3.619 -3.223 3.772 1.00 0.00 C ATOM 1360 O VAL A 81 -4.256 -2.178 3.868 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.758 -4.282 5.912 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.338 -4.366 5.366 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.940 -3.019 6.737 1.00 0.00 C ATOM 0 H VAL A 81 -3.014 -6.243 4.337 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.796 -4.245 5.251 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.911 -5.146 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.627 -4.310 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.207 -5.310 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.163 -3.538 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.187 -2.987 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.831 -2.146 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.933 -3.017 7.185 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.762 -3.457 2.780 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.554 -2.494 1.705 1.00 0.00 C ATOM 1375 C LEU A 82 -3.831 -2.344 0.888 1.00 0.00 C ATOM 1376 O LEU A 82 -4.227 -1.235 0.530 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.401 -2.943 0.801 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.109 -2.036 -0.397 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.708 -0.643 0.063 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.019 -2.645 -1.268 1.00 0.00 C ATOM 0 H LEU A 82 -2.201 -4.305 2.700 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.296 -1.530 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.497 -3.019 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.622 -3.944 0.431 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.020 -1.948 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.506 -0.017 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.519 -0.205 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.188 -0.708 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.178 -1.989 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.892 -2.763 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.346 -3.619 -1.631 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.476 -3.474 0.621 1.00 0.00 N ATOM 1393 CA HIS A 83 -5.708 -3.499 -0.155 1.00 0.00 C ATOM 1394 C HIS A 83 -6.784 -2.628 0.485 1.00 0.00 C ATOM 1395 O HIS A 83 -7.254 -1.670 -0.123 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.218 -4.941 -0.296 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.570 -5.055 -0.940 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.714 -5.376 -0.240 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -7.951 -4.901 -2.225 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.739 -5.415 -1.073 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.302 -5.131 -2.283 1.00 0.00 N ATOM 0 H HIS A 83 -4.161 -4.392 0.934 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.488 -3.096 -1.144 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.499 -5.513 -0.882 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.259 -5.398 0.693 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.310 -4.644 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.761 -5.641 -0.807 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -9.875 -5.089 -3.126 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.150 -2.947 1.718 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.285 -2.297 2.354 1.00 0.00 C ATOM 1412 C GLU A 84 -7.942 -0.890 2.829 1.00 0.00 C ATOM 1413 O GLU A 84 -8.835 -0.086 3.090 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.810 -3.142 3.509 1.00 0.00 C ATOM 1415 CG GLU A 84 -7.794 -3.397 4.602 1.00 0.00 C ATOM 1416 CD GLU A 84 -8.379 -4.216 5.725 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -8.753 -5.382 5.481 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -8.502 -3.677 6.840 1.00 0.00 O ATOM 0 H GLU A 84 -6.681 -3.647 2.294 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.070 -2.204 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.677 -2.645 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.154 -4.099 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.932 -3.916 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.434 -2.446 4.994 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.657 -0.591 2.954 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.238 0.765 3.266 1.00 0.00 C ATOM 1427 C ALA A 85 -6.406 1.645 2.036 1.00 0.00 C ATOM 1428 O ALA A 85 -6.920 2.759 2.117 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.796 0.793 3.749 1.00 0.00 C ATOM 0 H ALA A 85 -5.896 -1.261 2.845 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.865 1.149 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.508 1.820 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.701 0.183 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.144 0.397 2.971 1.00 0.00 H new ATOM 1435 N MET A 86 -5.996 1.117 0.891 1.00 0.00 N ATOM 1436 CA MET A 86 -6.100 1.831 -0.374 1.00 0.00 C ATOM 1437 C MET A 86 -7.563 1.973 -0.796 1.00 0.00 C ATOM 1438 O MET A 86 -7.942 2.938 -1.464 1.00 0.00 O ATOM 1439 CB MET A 86 -5.299 1.088 -1.445 1.00 0.00 C ATOM 1440 CG MET A 86 -5.247 1.798 -2.785 1.00 0.00 C ATOM 1441 SD MET A 86 -4.198 0.943 -3.978 1.00 0.00 S ATOM 1442 CE MET A 86 -2.614 1.016 -3.144 1.00 0.00 C ATOM 0 H MET A 86 -5.584 0.187 0.813 1.00 0.00 H new ATOM 0 HA MET A 86 -5.689 2.833 -0.252 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.281 0.940 -1.085 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.734 0.098 -1.587 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.256 1.882 -3.188 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.876 2.813 -2.641 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.812 0.935 -3.878 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.525 1.964 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.539 0.194 -2.432 1.00 0.00 H new ATOM 1452 N SER A 87 -8.385 1.017 -0.373 1.00 0.00 N ATOM 1453 CA SER A 87 -9.811 1.035 -0.674 1.00 0.00 C ATOM 1454 C SER A 87 -10.493 2.251 -0.042 1.00 0.00 C ATOM 1455 O SER A 87 -11.546 2.691 -0.503 1.00 0.00 O ATOM 1456 CB SER A 87 -10.467 -0.258 -0.184 1.00 0.00 C ATOM 1457 OG SER A 87 -9.878 -1.391 -0.802 1.00 0.00 O ATOM 0 H SER A 87 -8.084 0.216 0.182 1.00 0.00 H new ATOM 0 HA SER A 87 -9.931 1.107 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.364 -0.335 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.535 -0.234 -0.402 1.00 0.00 H new ATOM 0 HG SER A 87 -8.979 -1.531 -0.439 1.00 0.00 H new ATOM 1463 N GLN A 88 -9.879 2.810 0.998 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.426 3.991 1.653 1.00 0.00 C ATOM 1465 C GLN A 88 -10.286 5.208 0.743 1.00 0.00 C ATOM 1466 O GLN A 88 -11.091 6.133 0.804 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.730 4.242 2.992 1.00 0.00 C ATOM 1468 CG GLN A 88 -9.898 3.107 3.992 1.00 0.00 C ATOM 1469 CD GLN A 88 -11.352 2.807 4.316 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -11.990 1.975 3.673 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -11.884 3.484 5.321 1.00 0.00 N ATOM 0 H GLN A 88 -9.008 2.465 1.402 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.484 3.818 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.667 4.403 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.123 5.160 3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.428 2.208 3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.372 3.361 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.322 4.166 5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.856 3.324 5.586 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.267 5.189 -0.113 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.067 6.249 -1.096 1.00 0.00 C ATOM 1482 C ALA A 89 -10.063 6.087 -2.237 1.00 0.00 C ATOM 1483 O ALA A 89 -10.549 7.064 -2.812 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.638 6.221 -1.618 1.00 0.00 C ATOM 0 H ALA A 89 -8.566 4.449 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.235 7.215 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.503 7.017 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.945 6.368 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.441 5.258 -2.088 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.362 4.833 -2.540 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.388 4.478 -3.512 1.00 0.00 C ATOM 1492 C ARG A 90 -12.739 5.045 -3.083 1.00 0.00 C ATOM 1493 O ARG A 90 -13.428 5.703 -3.865 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.456 2.953 -3.624 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.652 2.411 -4.390 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.511 2.590 -5.893 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.124 3.827 -6.377 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.342 3.885 -6.915 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -15.120 2.809 -6.915 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.790 5.023 -7.430 1.00 0.00 N ATOM 0 H ARG A 90 -9.899 4.029 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.138 4.902 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.545 2.600 -4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.468 2.531 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.775 1.352 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.556 2.916 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.453 2.587 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.969 1.741 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.590 4.692 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.786 1.938 -6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.052 2.854 -7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.202 5.856 -7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.723 5.065 -7.841 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.095 4.811 -1.825 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.362 5.288 -1.282 1.00 0.00 C ATOM 1516 C GLU A 91 -14.287 6.773 -0.931 1.00 0.00 C ATOM 1517 O GLU A 91 -15.277 7.376 -0.518 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.754 4.472 -0.049 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.956 2.991 -0.333 1.00 0.00 C ATOM 1520 CD GLU A 91 -16.004 2.740 -1.397 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -17.144 3.227 -1.238 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.694 2.057 -2.395 1.00 0.00 O ATOM 0 H GLU A 91 -12.522 4.292 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.126 5.159 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.981 4.585 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.674 4.881 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.009 2.553 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.249 2.485 0.587 1.00 0.00 H new ATOM 1529 N SER A 92 -13.105 7.357 -1.091 1.00 0.00 N ATOM 1530 CA SER A 92 -12.925 8.782 -0.866 1.00 0.00 C ATOM 1531 C SER A 92 -13.138 9.544 -2.173 1.00 0.00 C ATOM 1532 O SER A 92 -13.149 10.777 -2.196 1.00 0.00 O ATOM 1533 CB SER A 92 -11.527 9.066 -0.300 1.00 0.00 C ATOM 1534 OG SER A 92 -11.380 10.429 0.068 1.00 0.00 O ATOM 0 H SER A 92 -12.259 6.864 -1.376 1.00 0.00 H new ATOM 0 HA SER A 92 -13.662 9.119 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.350 8.433 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.773 8.806 -1.043 1.00 0.00 H new ATOM 0 HG SER A 92 -11.939 10.987 -0.512 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.287 8.800 -3.263 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.581 9.410 -4.545 1.00 0.00 C ATOM 1542 C GLY A 93 -12.356 9.991 -5.222 1.00 0.00 C ATOM 1543 O GLY A 93 -12.471 10.671 -6.240 1.00 0.00 O ATOM 0 H GLY A 93 -13.209 7.783 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.032 8.665 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.320 10.199 -4.404 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.182 9.735 -4.661 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.947 10.241 -5.245 1.00 0.00 C ATOM 1549 C LEU A 94 -9.253 9.144 -6.043 1.00 0.00 C ATOM 1550 O LEU A 94 -8.300 9.396 -6.778 1.00 0.00 O ATOM 1551 CB LEU A 94 -9.026 10.811 -4.155 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.531 9.814 -3.103 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.253 9.127 -3.561 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.312 10.516 -1.775 1.00 0.00 C ATOM 0 H LEU A 94 -11.059 9.185 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.189 11.054 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.158 11.259 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.556 11.615 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.296 9.048 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.923 8.424 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.442 8.589 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.477 9.875 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.960 9.796 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.568 11.303 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.251 10.954 -1.436 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.745 7.926 -5.886 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.234 6.791 -6.629 1.00 0.00 C ATOM 1568 C LEU A 95 -10.374 6.138 -7.389 1.00 0.00 C ATOM 1569 O LEU A 95 -11.421 5.846 -6.814 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.580 5.783 -5.683 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.904 4.592 -6.358 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.779 5.059 -7.272 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.376 3.624 -5.310 1.00 0.00 C ATOM 0 H LEU A 95 -10.505 7.699 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.477 7.134 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.838 6.306 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.340 5.407 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.644 4.074 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.311 4.195 -7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.184 5.716 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.036 5.601 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.896 2.779 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.650 4.134 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.203 3.264 -4.697 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.171 5.925 -8.676 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.212 5.385 -9.539 1.00 0.00 C ATOM 1587 C LEU A 96 -11.342 3.871 -9.381 1.00 0.00 C ATOM 1588 O LEU A 96 -12.446 3.329 -9.423 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.944 5.746 -11.011 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.677 5.145 -11.645 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -9.724 5.298 -13.156 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.417 5.807 -11.105 1.00 0.00 C ATOM 0 H LEU A 96 -9.290 6.118 -9.152 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.155 5.837 -9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.804 5.430 -11.602 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.884 6.831 -11.091 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.647 4.087 -11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.822 4.869 -13.593 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.599 4.779 -13.547 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.784 6.356 -13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.541 5.359 -11.574 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.442 6.874 -11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.364 5.663 -10.026 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.215 3.195 -9.188 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.194 1.738 -9.070 1.00 0.00 C ATOM 1606 C GLN A 97 -9.037 1.316 -8.180 1.00 0.00 C ATOM 1607 O GLN A 97 -8.005 1.980 -8.158 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.027 1.067 -10.445 1.00 0.00 C ATOM 1609 CG GLN A 97 -11.132 1.376 -11.444 1.00 0.00 C ATOM 1610 CD GLN A 97 -10.908 0.713 -12.793 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -9.649 0.543 -13.171 1.00 0.00 O flip ATOM 1612 NE2 GLN A 97 -11.861 0.373 -13.497 1.00 0.00 N flip ATOM 0 H GLN A 97 -9.298 3.634 -9.109 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.144 1.424 -8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.073 1.378 -10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.976 -0.013 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.087 1.046 -11.036 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.200 2.455 -11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.816 0.521 -13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.695 -0.057 -14.407 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.210 0.227 -7.442 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.118 -0.326 -6.648 1.00 0.00 C ATOM 1623 C ASN A 98 -7.177 -1.120 -7.548 1.00 0.00 C ATOM 1624 O ASN A 98 -7.566 -2.149 -8.103 1.00 0.00 O ATOM 1625 CB ASN A 98 -8.636 -1.233 -5.522 1.00 0.00 C ATOM 1626 CG ASN A 98 -9.188 -0.471 -4.332 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -8.445 -0.071 -3.437 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -10.499 -0.296 -4.291 1.00 0.00 N ATOM 0 H ASN A 98 -10.088 -0.288 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.584 0.508 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.416 -1.883 -5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -7.825 -1.878 -5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.925 0.184 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.084 -0.642 -5.052 1.00 0.00 H new ATOM 1635 N PRO A 99 -5.927 -0.657 -7.709 1.00 0.00 N ATOM 1636 CA PRO A 99 -4.928 -1.339 -8.538 1.00 0.00 C ATOM 1637 C PRO A 99 -4.577 -2.720 -7.985 1.00 0.00 C ATOM 1638 O PRO A 99 -4.017 -3.559 -8.691 1.00 0.00 O ATOM 1639 CB PRO A 99 -3.708 -0.409 -8.492 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.234 0.901 -8.013 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.390 0.574 -7.113 1.00 0.00 C ATOM 0 HA PRO A 99 -5.291 -1.516 -9.550 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.943 -0.796 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.248 -0.313 -9.476 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.466 1.458 -7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.553 1.523 -8.849 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.069 0.418 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.131 1.373 -7.099 1.00 0.00 H new ATOM 1649 N THR A 100 -4.929 -2.953 -6.723 1.00 0.00 N ATOM 1650 CA THR A 100 -4.694 -4.235 -6.076 1.00 0.00 C ATOM 1651 C THR A 100 -5.542 -5.334 -6.712 1.00 0.00 C ATOM 1652 O THR A 100 -5.167 -6.505 -6.705 1.00 0.00 O ATOM 1653 CB THR A 100 -5.036 -4.160 -4.577 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.359 -3.633 -4.413 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.039 -3.289 -3.826 1.00 0.00 C ATOM 0 H THR A 100 -5.382 -2.261 -6.126 1.00 0.00 H new ATOM 0 HA THR A 100 -3.637 -4.471 -6.203 1.00 0.00 H new ATOM 0 HB THR A 100 -4.984 -5.167 -4.163 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.374 -3.020 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.308 -3.256 -2.770 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.038 -3.707 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.056 -2.279 -4.237 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.679 -4.937 -7.279 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.648 -5.892 -7.807 1.00 0.00 C ATOM 1665 C GLU A 101 -7.218 -6.401 -9.179 1.00 0.00 C ATOM 1666 O GLU A 101 -7.685 -7.440 -9.644 1.00 0.00 O ATOM 1667 CB GLU A 101 -9.033 -5.241 -7.903 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.424 -4.426 -6.674 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.502 -5.242 -5.396 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -8.501 -5.890 -5.031 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -10.563 -5.223 -4.736 1.00 0.00 O ATOM 0 H GLU A 101 -6.951 -3.960 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.697 -6.740 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.058 -4.593 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.779 -6.020 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.700 -3.623 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.391 -3.957 -6.854 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.332 -5.655 -9.822 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.852 -6.012 -11.149 1.00 0.00 C ATOM 1680 C ALA A 102 -4.453 -6.613 -11.073 1.00 0.00 C ATOM 1681 O ALA A 102 -3.868 -6.991 -12.088 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.868 -4.791 -12.059 1.00 0.00 C ATOM 0 H ALA A 102 -5.930 -4.797 -9.445 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.518 -6.765 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.507 -5.070 -13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.886 -4.410 -12.138 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.222 -4.018 -11.642 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.925 -6.705 -9.862 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.598 -7.256 -9.648 1.00 0.00 C ATOM 1690 C ALA A 103 -2.670 -8.765 -9.459 1.00 0.00 C ATOM 1691 O ALA A 103 -3.759 -9.338 -9.411 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.945 -6.601 -8.441 1.00 0.00 C ATOM 0 H ALA A 103 -4.398 -6.404 -9.010 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.991 -7.049 -10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.951 -7.023 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.862 -5.527 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.553 -6.783 -7.555 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.512 -9.407 -9.365 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.454 -10.845 -9.124 1.00 0.00 C ATOM 1700 C LYS A 104 -0.873 -11.125 -7.741 1.00 0.00 C ATOM 1701 O LYS A 104 0.323 -11.384 -7.598 1.00 0.00 O ATOM 1702 CB LYS A 104 -0.615 -11.542 -10.194 1.00 0.00 C ATOM 1703 CG LYS A 104 -1.153 -11.368 -11.604 1.00 0.00 C ATOM 1704 CD LYS A 104 -0.295 -12.095 -12.633 1.00 0.00 C ATOM 1705 CE LYS A 104 -0.598 -13.590 -12.701 1.00 0.00 C ATOM 1706 NZ LYS A 104 -0.242 -14.315 -11.451 1.00 0.00 N ATOM 0 H LYS A 104 -0.601 -8.956 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.469 -11.239 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.403 -11.155 -10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.561 -12.606 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.175 -11.745 -11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.193 -10.307 -11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.457 -11.650 -13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.758 -11.952 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.659 -13.731 -12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.051 -14.028 -13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.012 -15.304 -11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.582 -13.860 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.047 -14.289 -10.793 1.00 0.00 H new ATOM 1720 N PRO A 105 -1.708 -11.036 -6.700 1.00 0.00 N ATOM 1721 CA PRO A 105 -1.292 -11.209 -5.324 1.00 0.00 C ATOM 1722 C PRO A 105 -1.627 -12.592 -4.764 1.00 0.00 C ATOM 1723 O PRO A 105 -2.435 -13.329 -5.337 1.00 0.00 O ATOM 1724 CB PRO A 105 -2.131 -10.136 -4.632 1.00 0.00 C ATOM 1725 CG PRO A 105 -3.398 -10.043 -5.441 1.00 0.00 C ATOM 1726 CD PRO A 105 -3.138 -10.726 -6.765 1.00 0.00 C ATOM 0 HA PRO A 105 -0.214 -11.125 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.343 -10.408 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.607 -9.180 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -4.225 -10.523 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -3.680 -9.001 -5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.741 -11.626 -6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.372 -10.075 -7.608 1.00 0.00 H new ATOM 1734 N PRO A 106 -0.998 -12.965 -3.636 1.00 0.00 N ATOM 1735 CA PRO A 106 -1.329 -14.202 -2.921 1.00 0.00 C ATOM 1736 C PRO A 106 -2.799 -14.233 -2.505 1.00 0.00 C ATOM 1737 O PRO A 106 -3.367 -13.208 -2.108 1.00 0.00 O ATOM 1738 CB PRO A 106 -0.421 -14.162 -1.687 1.00 0.00 C ATOM 1739 CG PRO A 106 0.696 -13.249 -2.062 1.00 0.00 C ATOM 1740 CD PRO A 106 0.097 -12.227 -2.983 1.00 0.00 C ATOM 0 HA PRO A 106 -1.179 -15.089 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.958 -13.792 -0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.051 -15.156 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.127 -12.776 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.500 -13.796 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.272 -11.359 -2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.825 -11.862 -3.707 1.00 0.00 H new ATOM 1748 N ARG A 107 -3.406 -15.406 -2.594 1.00 0.00 N ATOM 1749 CA ARG A 107 -4.824 -15.559 -2.315 1.00 0.00 C ATOM 1750 C ARG A 107 -5.080 -15.596 -0.811 1.00 0.00 C ATOM 1751 O ARG A 107 -4.599 -16.484 -0.107 1.00 0.00 O ATOM 1752 CB ARG A 107 -5.357 -16.826 -2.992 1.00 0.00 C ATOM 1753 CG ARG A 107 -6.844 -17.045 -2.781 1.00 0.00 C ATOM 1754 CD ARG A 107 -7.387 -18.166 -3.654 1.00 0.00 C ATOM 1755 NE ARG A 107 -6.801 -19.473 -3.340 1.00 0.00 N ATOM 1756 CZ ARG A 107 -7.519 -20.538 -2.973 1.00 0.00 C ATOM 1757 NH1 ARG A 107 -8.825 -20.418 -2.768 1.00 0.00 N ATOM 1758 NH2 ARG A 107 -6.933 -21.718 -2.802 1.00 0.00 N ATOM 0 H ARG A 107 -2.935 -16.271 -2.859 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.355 -14.698 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.154 -16.770 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.813 -17.689 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.030 -17.280 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.381 -16.122 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.469 -18.221 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.194 -17.930 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.788 -19.575 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.279 -19.513 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.374 -21.231 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.929 -21.815 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.487 -22.527 -2.522 1.00 0.00 H new ATOM 1772 N HIS A 108 -5.817 -14.607 -0.324 1.00 0.00 N ATOM 1773 CA HIS A 108 -6.149 -14.507 1.092 1.00 0.00 C ATOM 1774 C HIS A 108 -7.257 -13.478 1.289 1.00 0.00 C ATOM 1775 O HIS A 108 -7.121 -12.332 0.861 1.00 0.00 O ATOM 1776 CB HIS A 108 -4.904 -14.122 1.911 1.00 0.00 C ATOM 1777 CG HIS A 108 -5.170 -13.840 3.367 1.00 0.00 C ATOM 1778 ND1 HIS A 108 -5.429 -14.818 4.302 1.00 0.00 N ATOM 1779 CD2 HIS A 108 -5.206 -12.668 4.042 1.00 0.00 C ATOM 1780 CE1 HIS A 108 -5.618 -14.256 5.484 1.00 0.00 C ATOM 1781 NE2 HIS A 108 -5.488 -12.949 5.352 1.00 0.00 N ATOM 0 H HIS A 108 -6.200 -13.854 -0.896 1.00 0.00 H new ATOM 0 HA HIS A 108 -6.500 -15.477 1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.175 -14.929 1.839 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.449 -13.240 1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -5.042 -11.686 3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -5.841 -14.778 6.403 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -5.582 -12.263 6.101 1.00 0.00 H new ATOM 1790 N PRO A 109 -8.371 -13.882 1.914 1.00 0.00 N ATOM 1791 CA PRO A 109 -9.487 -12.978 2.205 1.00 0.00 C ATOM 1792 C PRO A 109 -9.108 -11.924 3.238 1.00 0.00 C ATOM 1793 O PRO A 109 -8.092 -12.047 3.919 1.00 0.00 O ATOM 1794 CB PRO A 109 -10.570 -13.904 2.758 1.00 0.00 C ATOM 1795 CG PRO A 109 -9.828 -15.085 3.282 1.00 0.00 C ATOM 1796 CD PRO A 109 -8.635 -15.253 2.383 1.00 0.00 C ATOM 0 HA PRO A 109 -9.803 -12.421 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -11.144 -13.416 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -11.277 -14.194 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.519 -14.926 4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.455 -15.977 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -7.781 -15.666 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.847 -15.928 1.554 1.00 0.00 H new ATOM 1804 N LEU A 110 -9.928 -10.895 3.356 1.00 0.00 N ATOM 1805 CA LEU A 110 -9.619 -9.780 4.239 1.00 0.00 C ATOM 1806 C LEU A 110 -10.115 -10.060 5.653 1.00 0.00 C ATOM 1807 O LEU A 110 -11.261 -10.467 5.843 1.00 0.00 O ATOM 1808 CB LEU A 110 -10.262 -8.474 3.734 1.00 0.00 C ATOM 1809 CG LEU A 110 -9.999 -8.094 2.267 1.00 0.00 C ATOM 1810 CD1 LEU A 110 -8.554 -8.364 1.883 1.00 0.00 C ATOM 1811 CD2 LEU A 110 -10.957 -8.822 1.331 1.00 0.00 C ATOM 0 H LEU A 110 -10.811 -10.806 2.854 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.535 -9.664 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -11.340 -8.548 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.912 -7.657 4.365 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.179 -7.024 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.396 -8.086 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.892 -7.776 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.335 -9.424 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.748 -8.534 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.825 -9.898 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.984 -8.555 1.581 1.00 0.00 H new ATOM 1823 N GLU A 111 -9.247 -9.862 6.638 1.00 0.00 N ATOM 1824 CA GLU A 111 -9.669 -9.883 8.036 1.00 0.00 C ATOM 1825 C GLU A 111 -10.341 -8.558 8.393 1.00 0.00 C ATOM 1826 O GLU A 111 -10.942 -8.412 9.463 1.00 0.00 O ATOM 1827 CB GLU A 111 -8.491 -10.169 8.978 1.00 0.00 C ATOM 1828 CG GLU A 111 -7.168 -9.563 8.542 1.00 0.00 C ATOM 1829 CD GLU A 111 -6.251 -10.588 7.906 1.00 0.00 C ATOM 1830 OE1 GLU A 111 -6.410 -10.873 6.703 1.00 0.00 O ATOM 1831 OE2 GLU A 111 -5.368 -11.121 8.614 1.00 0.00 O ATOM 0 H GLU A 111 -8.252 -9.686 6.498 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.387 -10.693 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.738 -9.793 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.369 -11.248 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.356 -8.757 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.671 -9.120 9.405 1.00 0.00 H new ATOM 1838 N HIS A 112 -10.218 -7.601 7.474 1.00 0.00 N ATOM 1839 CA HIS A 112 -10.923 -6.323 7.541 1.00 0.00 C ATOM 1840 C HIS A 112 -10.324 -5.389 8.582 1.00 0.00 C ATOM 1841 O HIS A 112 -9.424 -5.762 9.338 1.00 0.00 O ATOM 1842 CB HIS A 112 -12.425 -6.523 7.771 1.00 0.00 C ATOM 1843 CG HIS A 112 -13.125 -7.108 6.583 1.00 0.00 C ATOM 1844 ND1 HIS A 112 -13.559 -8.415 6.525 1.00 0.00 N ATOM 1845 CD2 HIS A 112 -13.449 -6.556 5.390 1.00 0.00 C ATOM 1846 CE1 HIS A 112 -14.119 -8.639 5.351 1.00 0.00 C ATOM 1847 NE2 HIS A 112 -14.063 -7.528 4.644 1.00 0.00 N ATOM 0 H HIS A 112 -9.619 -7.693 6.653 1.00 0.00 H new ATOM 0 HA HIS A 112 -10.795 -5.842 6.571 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.572 -7.177 8.631 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.880 -5.564 8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.259 -5.538 5.083 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -14.550 -9.574 5.025 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.419 -7.411 3.695 1.00 0.00 H new ATOM 1856 N HIS A 113 -10.853 -4.171 8.615 1.00 0.00 N ATOM 1857 CA HIS A 113 -10.237 -3.074 9.349 1.00 0.00 C ATOM 1858 C HIS A 113 -10.298 -3.265 10.856 1.00 0.00 C ATOM 1859 O HIS A 113 -11.301 -2.949 11.496 1.00 0.00 O ATOM 1860 CB HIS A 113 -10.889 -1.736 8.977 1.00 0.00 C ATOM 1861 CG HIS A 113 -10.636 -1.298 7.567 1.00 0.00 C ATOM 1862 ND1 HIS A 113 -11.619 -1.266 6.601 1.00 0.00 N ATOM 1863 CD2 HIS A 113 -9.510 -0.844 6.966 1.00 0.00 C ATOM 1864 CE1 HIS A 113 -11.110 -0.818 5.471 1.00 0.00 C ATOM 1865 NE2 HIS A 113 -9.834 -0.551 5.663 1.00 0.00 N ATOM 0 H HIS A 113 -11.717 -3.918 8.136 1.00 0.00 H new ATOM 0 HA HIS A 113 -9.186 -3.066 9.059 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -11.965 -1.814 9.133 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -10.523 -0.966 9.656 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -8.539 -0.733 7.425 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -11.648 -0.691 4.543 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -9.192 -0.186 4.959 1.00 0.00 H new ATOM 1874 N HIS A 114 -9.225 -3.799 11.409 1.00 0.00 N ATOM 1875 CA HIS A 114 -9.014 -3.771 12.843 1.00 0.00 C ATOM 1876 C HIS A 114 -8.244 -2.500 13.167 1.00 0.00 C ATOM 1877 O HIS A 114 -7.043 -2.412 12.915 1.00 0.00 O ATOM 1878 CB HIS A 114 -8.247 -5.010 13.315 1.00 0.00 C ATOM 1879 CG HIS A 114 -9.005 -6.295 13.156 1.00 0.00 C ATOM 1880 ND1 HIS A 114 -9.836 -6.802 14.132 1.00 0.00 N ATOM 1881 CD2 HIS A 114 -9.047 -7.186 12.134 1.00 0.00 C ATOM 1882 CE1 HIS A 114 -10.351 -7.945 13.721 1.00 0.00 C ATOM 1883 NE2 HIS A 114 -9.890 -8.199 12.515 1.00 0.00 N ATOM 0 H HIS A 114 -8.483 -4.260 10.883 1.00 0.00 H new ATOM 0 HA HIS A 114 -9.972 -3.779 13.363 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.313 -5.080 12.758 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -7.983 -4.883 14.365 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -10.024 -6.362 15.033 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.516 -7.112 11.196 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.035 -8.567 14.280 1.00 0.00 H new ATOM 1892 N HIS A 115 -8.950 -1.505 13.684 1.00 0.00 N ATOM 1893 CA HIS A 115 -8.410 -0.154 13.761 1.00 0.00 C ATOM 1894 C HIS A 115 -7.609 0.091 15.041 1.00 0.00 C ATOM 1895 O HIS A 115 -6.502 -0.421 15.189 1.00 0.00 O ATOM 1896 CB HIS A 115 -9.545 0.874 13.609 1.00 0.00 C ATOM 1897 CG HIS A 115 -9.093 2.307 13.569 1.00 0.00 C ATOM 1898 ND1 HIS A 115 -9.790 3.329 14.176 1.00 0.00 N ATOM 1899 CD2 HIS A 115 -8.013 2.885 12.990 1.00 0.00 C ATOM 1900 CE1 HIS A 115 -9.162 4.471 13.971 1.00 0.00 C ATOM 1901 NE2 HIS A 115 -8.080 4.229 13.257 1.00 0.00 N ATOM 0 H HIS A 115 -9.895 -1.606 14.055 1.00 0.00 H new ATOM 0 HA HIS A 115 -7.707 -0.035 12.937 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -10.095 0.655 12.694 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -10.242 0.750 14.437 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.243 2.382 12.424 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.480 5.440 14.327 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.402 4.928 12.952 1.00 0.00 H new ATOM 1910 N HIS A 116 -8.190 0.854 15.966 1.00 0.00 N ATOM 1911 CA HIS A 116 -7.452 1.442 17.083 1.00 0.00 C ATOM 1912 C HIS A 116 -8.318 2.535 17.701 1.00 0.00 C ATOM 1913 O HIS A 116 -9.295 2.960 17.084 1.00 0.00 O ATOM 1914 CB HIS A 116 -6.131 2.052 16.564 1.00 0.00 C ATOM 1915 CG HIS A 116 -5.212 2.597 17.615 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -4.358 1.970 18.459 1.00 0.00 N flip ATOM 1917 CD2 HIS A 116 -5.072 3.944 17.865 1.00 0.00 C flip ATOM 1918 CE1 HIS A 116 -3.724 2.940 19.195 1.00 0.00 C flip ATOM 1919 NE2 HIS A 116 -4.173 4.123 18.815 1.00 0.00 N flip ATOM 0 H HIS A 116 -9.184 1.082 15.962 1.00 0.00 H new ATOM 0 HA HIS A 116 -7.219 0.681 17.828 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.596 1.288 16.000 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.372 2.854 15.866 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -4.213 0.963 18.534 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.614 4.732 17.362 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -2.981 2.765 19.959 1.00 0.00 H new ATOM 1928 N HIS A 117 -7.995 2.970 18.912 1.00 0.00 N ATOM 1929 CA HIS A 117 -8.659 4.133 19.487 1.00 0.00 C ATOM 1930 C HIS A 117 -8.072 5.401 18.898 1.00 0.00 C ATOM 1931 O HIS A 117 -8.621 5.893 17.896 1.00 0.00 O ATOM 1932 CB HIS A 117 -8.532 4.163 21.011 1.00 0.00 C ATOM 1933 CG HIS A 117 -9.401 3.164 21.703 1.00 0.00 C ATOM 1934 ND1 HIS A 117 -10.570 2.598 21.325 1.00 0.00 N flip ATOM 1935 CD2 HIS A 117 -9.116 2.652 22.948 1.00 0.00 C flip ATOM 1936 CE1 HIS A 117 -10.964 1.762 22.337 1.00 0.00 C flip ATOM 1937 NE2 HIS A 117 -10.068 1.813 23.304 1.00 0.00 N flip ATOM 1938 OXT HIS A 117 -7.049 5.886 19.425 1.00 0.00 O ATOM 0 H HIS A 117 -7.287 2.542 19.509 1.00 0.00 H new ATOM 0 HA HIS A 117 -9.719 4.067 19.243 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.493 3.980 21.284 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -8.784 5.161 21.369 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -11.066 2.763 20.449 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -8.248 2.899 23.541 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -11.861 1.160 22.342 1.00 0.00 H new TER 1947 HIS A 117