USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -171:sc= -1.75! USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.89! C(o=-3.6!,f=-7.3!) USER MOD Set 2.1: A 58 TYR OH : rot 81:sc= -1.55! USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= -0.442 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= -0.226 USER MOD Set 3.2: A 65 THR OG1 : rot -124:sc= -1.44! USER MOD Set 4.1: A 34 TYR OH : rot 150:sc= 0.26 USER MOD Set 4.2: A 100 LYS NZ :NH3+ 143:sc= 0.272 (180deg=-0.512) USER MOD Set 5.1: A 32 THR OG1 : rot -94:sc= 1.3 USER MOD Set 5.2: A 92 TYR OH : rot -103:sc= 0.278 USER MOD Set 6.1: A 29 ASN : amide:sc= -0.449 K(o=-0.1,f=-2.3) USER MOD Set 6.2: A 31 THR OG1 : rot -88:sc= 0.347 USER MOD Set 7.1: A 17 HIS : no HD1:sc= 0 X(o=-0.17,f=-0.6) USER MOD Set 7.2: A 20 LYS NZ :NH3+ -131:sc= -0.166 (180deg=-0.839) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.131 (180deg=-0.659) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= -0.0486 (180deg=-0.257) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.97! C(o=-6.6!,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= -1.74! (180deg=-1.79!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 22 THR OG1 : rot 46:sc= 0.376 USER MOD Single : A 25 HIS : no HE2:sc= -2.02 K(o=-2,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 138:sc= -1.82! (180deg=-3.37!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -2.27! (180deg=-3.87!) USER MOD Single : A 48 SER OG : rot 53:sc= -0.176 USER MOD Single : A 56 CYS SG : rot 180:sc= -2.47! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -140:sc= -0.147 (180deg=-0.717) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0546 (180deg=-0.273) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -4.99 K(o=-5,f=-13!) USER MOD Single : A 93 THR OG1 : rot -130:sc= -2.85 USER MOD Single : A 103 ASN :FLIP amide:sc= -6.72! C(o=-7.6!,f=-6.7!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.723 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 111 ASN : amide:sc= -0.846 X(o=-0.85,f=-0.45) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -8.262 -15.203 35.813 1.00 0.00 N ATOM 2 CA GLY A -2 -7.205 -15.365 34.776 1.00 0.00 C ATOM 3 C GLY A -2 -7.677 -14.951 33.396 1.00 0.00 C ATOM 4 O GLY A -2 -8.344 -13.929 33.242 1.00 0.00 O ATOM 0 H1 GLY A -2 -7.889 -15.499 36.738 1.00 0.00 H new ATOM 0 H2 GLY A -2 -8.552 -14.205 35.860 1.00 0.00 H new ATOM 0 H3 GLY A -2 -9.083 -15.791 35.566 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -6.335 -14.770 35.053 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -6.883 -16.406 34.749 1.00 0.00 H new ATOM 10 N SER A -1 -7.329 -15.748 32.391 1.00 0.00 N ATOM 11 CA SER A -1 -7.720 -15.461 31.016 1.00 0.00 C ATOM 12 C SER A -1 -8.108 -16.741 30.281 1.00 0.00 C ATOM 13 O SER A -1 -7.471 -17.781 30.450 1.00 0.00 O ATOM 14 CB SER A -1 -6.580 -14.759 30.275 1.00 0.00 C ATOM 15 OG SER A -1 -6.248 -13.531 30.896 1.00 0.00 O ATOM 0 H SER A -1 -6.777 -16.598 32.503 1.00 0.00 H new ATOM 0 HA SER A -1 -8.588 -14.802 31.042 1.00 0.00 H new ATOM 0 HB2 SER A -1 -5.704 -15.407 30.252 1.00 0.00 H new ATOM 0 HB3 SER A -1 -6.871 -14.580 29.240 1.00 0.00 H new ATOM 0 HG SER A -1 -5.516 -13.103 30.404 1.00 0.00 H new ATOM 21 N HIS A 0 -9.154 -16.655 29.467 1.00 0.00 N ATOM 22 CA HIS A 0 -9.627 -17.805 28.706 1.00 0.00 C ATOM 23 C HIS A 0 -9.540 -17.539 27.207 1.00 0.00 C ATOM 24 O HIS A 0 -10.197 -16.635 26.688 1.00 0.00 O ATOM 25 CB HIS A 0 -11.069 -18.142 29.092 1.00 0.00 C ATOM 26 CG HIS A 0 -11.239 -18.467 30.543 1.00 0.00 C ATOM 27 ND1 HIS A 0 -11.788 -17.588 31.453 1.00 0.00 N ATOM 28 CD2 HIS A 0 -10.933 -19.586 31.243 1.00 0.00 C ATOM 29 CE1 HIS A 0 -11.809 -18.151 32.649 1.00 0.00 C ATOM 30 NE2 HIS A 0 -11.297 -19.363 32.548 1.00 0.00 N ATOM 0 H HIS A 0 -9.691 -15.801 29.317 1.00 0.00 H new ATOM 0 HA HIS A 0 -8.986 -18.654 28.945 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -11.711 -17.298 28.839 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -11.408 -18.990 28.496 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -10.486 -20.486 30.848 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -12.182 -17.696 33.555 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -11.189 -20.027 33.315 1.00 0.00 H new ATOM 39 N MET A 1 -8.723 -18.331 26.517 1.00 0.00 N ATOM 40 CA MET A 1 -8.544 -18.187 25.075 1.00 0.00 C ATOM 41 C MET A 1 -8.049 -16.787 24.722 1.00 0.00 C ATOM 42 O MET A 1 -7.703 -15.999 25.603 1.00 0.00 O ATOM 43 CB MET A 1 -9.856 -18.478 24.343 1.00 0.00 C ATOM 44 CG MET A 1 -10.390 -19.880 24.585 1.00 0.00 C ATOM 45 SD MET A 1 -11.944 -20.192 23.726 1.00 0.00 S ATOM 46 CE MET A 1 -11.436 -19.995 22.020 1.00 0.00 C ATOM 0 H MET A 1 -8.173 -19.081 26.935 1.00 0.00 H new ATOM 0 HA MET A 1 -7.792 -18.908 24.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.607 -17.753 24.658 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.705 -18.336 23.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.647 -20.608 24.259 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.535 -20.029 25.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.165 -20.473 21.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.373 -18.934 21.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.460 -20.458 21.875 1.00 0.00 H new ATOM 56 N ILE A 2 -8.015 -16.486 23.427 1.00 0.00 N ATOM 57 CA ILE A 2 -7.562 -15.183 22.957 1.00 0.00 C ATOM 58 C ILE A 2 -8.717 -14.187 22.916 1.00 0.00 C ATOM 59 O ILE A 2 -8.557 -13.022 23.282 1.00 0.00 O ATOM 60 CB ILE A 2 -6.923 -15.276 21.554 1.00 0.00 C ATOM 61 CG1 ILE A 2 -5.678 -16.168 21.584 1.00 0.00 C ATOM 62 CG2 ILE A 2 -6.567 -13.889 21.036 1.00 0.00 C ATOM 63 CD1 ILE A 2 -5.986 -17.649 21.622 1.00 0.00 C ATOM 0 H ILE A 2 -8.296 -17.127 22.685 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.808 -14.836 23.663 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.651 -15.723 20.878 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.070 -15.956 20.705 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.078 -15.909 22.457 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.118 -13.974 20.046 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.470 -13.281 20.974 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.858 -13.417 21.717 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.054 -18.214 21.642 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.567 -17.877 22.515 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.559 -17.924 20.736 1.00 0.00 H new ATOM 75 N ALA A 3 -9.879 -14.655 22.468 1.00 0.00 N ATOM 76 CA ALA A 3 -11.066 -13.811 22.374 1.00 0.00 C ATOM 77 C ALA A 3 -10.809 -12.595 21.484 1.00 0.00 C ATOM 78 O ALA A 3 -10.385 -11.545 21.967 1.00 0.00 O ATOM 79 CB ALA A 3 -11.511 -13.369 23.761 1.00 0.00 C ATOM 0 H ALA A 3 -10.024 -15.618 22.163 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.863 -14.398 21.919 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.397 -12.740 23.676 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.745 -14.246 24.365 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.710 -12.804 24.237 1.00 0.00 H new ATOM 85 N PRO A 4 -11.058 -12.726 20.168 1.00 0.00 N ATOM 86 CA PRO A 4 -10.853 -11.630 19.213 1.00 0.00 C ATOM 87 C PRO A 4 -11.664 -10.389 19.572 1.00 0.00 C ATOM 88 O PRO A 4 -12.880 -10.462 19.753 1.00 0.00 O ATOM 89 CB PRO A 4 -11.333 -12.213 17.879 1.00 0.00 C ATOM 90 CG PRO A 4 -11.255 -13.690 18.056 1.00 0.00 C ATOM 91 CD PRO A 4 -11.551 -13.946 19.505 1.00 0.00 C ATOM 0 HA PRO A 4 -9.814 -11.299 19.197 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.351 -11.895 17.652 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.704 -11.880 17.053 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.974 -14.199 17.414 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.267 -14.064 17.787 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.617 -14.096 19.678 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.040 -14.837 19.869 1.00 0.00 H new ATOM 99 N LEU A 5 -10.984 -9.252 19.672 1.00 0.00 N ATOM 100 CA LEU A 5 -11.640 -7.993 20.008 1.00 0.00 C ATOM 101 C LEU A 5 -11.167 -6.871 19.090 1.00 0.00 C ATOM 102 O LEU A 5 -11.948 -6.319 18.315 1.00 0.00 O ATOM 103 CB LEU A 5 -11.368 -7.623 21.468 1.00 0.00 C ATOM 104 CG LEU A 5 -11.914 -8.611 22.503 1.00 0.00 C ATOM 105 CD1 LEU A 5 -11.491 -8.201 23.905 1.00 0.00 C ATOM 106 CD2 LEU A 5 -13.430 -8.701 22.409 1.00 0.00 C ATOM 0 H LEU A 5 -9.978 -9.176 19.525 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.713 -8.124 19.869 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.291 -7.532 21.609 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.799 -6.641 21.664 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.498 -9.596 22.291 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.888 -8.914 24.628 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.403 -8.188 23.968 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.879 -7.207 24.126 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.799 -9.408 23.152 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.865 -7.719 22.595 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.713 -9.041 21.413 1.00 0.00 H new ATOM 118 N SER A 6 -9.883 -6.539 19.183 1.00 0.00 N ATOM 119 CA SER A 6 -9.305 -5.482 18.360 1.00 0.00 C ATOM 120 C SER A 6 -7.819 -5.729 18.121 1.00 0.00 C ATOM 121 O SER A 6 -7.209 -5.108 17.250 1.00 0.00 O ATOM 122 CB SER A 6 -9.507 -4.120 19.027 1.00 0.00 C ATOM 123 OG SER A 6 -10.884 -3.835 19.200 1.00 0.00 O ATOM 0 H SER A 6 -9.223 -6.986 19.820 1.00 0.00 H new ATOM 0 HA SER A 6 -9.815 -5.486 17.396 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.006 -4.108 19.995 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.045 -3.342 18.419 1.00 0.00 H new ATOM 0 HG SER A 6 -10.986 -2.960 19.630 1.00 0.00 H new ATOM 129 N VAL A 7 -7.242 -6.639 18.901 1.00 0.00 N ATOM 130 CA VAL A 7 -5.828 -6.967 18.774 1.00 0.00 C ATOM 131 C VAL A 7 -5.624 -8.175 17.864 1.00 0.00 C ATOM 132 O VAL A 7 -6.295 -9.195 18.012 1.00 0.00 O ATOM 133 CB VAL A 7 -5.194 -7.259 20.148 1.00 0.00 C ATOM 134 CG1 VAL A 7 -3.720 -7.605 19.998 1.00 0.00 C ATOM 135 CG2 VAL A 7 -5.375 -6.071 21.082 1.00 0.00 C ATOM 0 H VAL A 7 -7.733 -7.161 19.627 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.339 -6.098 18.334 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.702 -8.119 20.584 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.292 -7.807 20.980 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.616 -8.488 19.368 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.195 -6.768 19.539 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.921 -6.295 22.047 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.895 -5.193 20.651 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.438 -5.874 21.218 1.00 0.00 H new ATOM 145 N LYS A 8 -4.691 -8.049 16.924 1.00 0.00 N ATOM 146 CA LYS A 8 -4.391 -9.115 15.989 1.00 0.00 C ATOM 147 C LYS A 8 -2.891 -9.147 15.722 1.00 0.00 C ATOM 148 O LYS A 8 -2.105 -8.597 16.494 1.00 0.00 O ATOM 149 CB LYS A 8 -5.163 -8.901 14.682 1.00 0.00 C ATOM 150 CG LYS A 8 -6.674 -8.899 14.855 1.00 0.00 C ATOM 151 CD LYS A 8 -7.193 -10.268 15.267 1.00 0.00 C ATOM 152 CE LYS A 8 -8.699 -10.254 15.469 1.00 0.00 C ATOM 153 NZ LYS A 8 -9.424 -9.856 14.231 1.00 0.00 N ATOM 0 H LYS A 8 -4.128 -7.208 16.794 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.697 -10.070 16.417 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.856 -7.953 14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.888 -9.685 13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.953 -8.162 15.608 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.147 -8.596 13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.934 -11.002 14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.704 -10.581 16.189 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.032 -11.244 15.782 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.950 -9.564 16.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.439 -10.053 14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.285 -8.840 14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.055 -10.397 13.423 1.00 0.00 H new ATOM 167 N ASP A 9 -2.497 -9.787 14.635 1.00 0.00 N ATOM 168 CA ASP A 9 -1.089 -9.873 14.275 1.00 0.00 C ATOM 169 C ASP A 9 -0.862 -9.292 12.887 1.00 0.00 C ATOM 170 O ASP A 9 -1.252 -9.886 11.881 1.00 0.00 O ATOM 171 CB ASP A 9 -0.607 -11.321 14.318 1.00 0.00 C ATOM 172 CG ASP A 9 0.902 -11.432 14.210 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.575 -11.406 15.262 1.00 0.00 O ATOM 174 OD2 ASP A 9 1.408 -11.545 13.074 1.00 0.00 O ATOM 0 H ASP A 9 -3.130 -10.255 13.986 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.517 -9.295 15.000 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.937 -11.783 15.248 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.069 -11.879 13.504 1.00 0.00 H new ATOM 179 N ASN A 10 -0.231 -8.128 12.839 1.00 0.00 N ATOM 180 CA ASN A 10 0.034 -7.453 11.581 1.00 0.00 C ATOM 181 C ASN A 10 1.495 -7.044 11.446 1.00 0.00 C ATOM 182 O ASN A 10 2.307 -7.778 10.883 1.00 0.00 O ATOM 183 CB ASN A 10 -0.855 -6.222 11.471 1.00 0.00 C ATOM 184 CG ASN A 10 -1.412 -5.778 12.811 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.710 -4.861 13.469 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -2.462 -6.250 13.247 1.00 0.00 N flip ATOM 0 H ASN A 10 0.108 -7.631 13.663 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.186 -8.153 10.775 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.283 -5.405 11.031 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.681 -6.435 10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.968 -6.952 12.708 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.826 -5.939 14.148 1.00 0.00 H new ATOM 193 N ASP A 11 1.799 -5.858 11.961 1.00 0.00 N ATOM 194 CA ASP A 11 3.140 -5.294 11.914 1.00 0.00 C ATOM 195 C ASP A 11 4.215 -6.368 11.925 1.00 0.00 C ATOM 196 O ASP A 11 4.468 -7.009 12.943 1.00 0.00 O ATOM 197 CB ASP A 11 3.349 -4.333 13.081 1.00 0.00 C ATOM 198 CG ASP A 11 2.622 -4.779 14.335 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.038 -5.793 14.935 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.639 -4.113 14.720 1.00 0.00 O ATOM 0 H ASP A 11 1.117 -5.258 12.425 1.00 0.00 H new ATOM 0 HA ASP A 11 3.230 -4.751 10.973 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.415 -4.249 13.293 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.002 -3.340 12.797 1.00 0.00 H new ATOM 205 N LYS A 12 4.830 -6.560 10.768 1.00 0.00 N ATOM 206 CA LYS A 12 5.896 -7.534 10.613 1.00 0.00 C ATOM 207 C LYS A 12 7.253 -6.853 10.776 1.00 0.00 C ATOM 208 O LYS A 12 7.750 -6.196 9.860 1.00 0.00 O ATOM 209 CB LYS A 12 5.795 -8.214 9.247 1.00 0.00 C ATOM 210 CG LYS A 12 7.037 -8.992 8.867 1.00 0.00 C ATOM 211 CD LYS A 12 6.864 -9.716 7.543 1.00 0.00 C ATOM 212 CE LYS A 12 8.141 -10.426 7.130 1.00 0.00 C ATOM 213 NZ LYS A 12 8.481 -11.543 8.056 1.00 0.00 N ATOM 0 H LYS A 12 4.605 -6.047 9.915 1.00 0.00 H new ATOM 0 HA LYS A 12 5.795 -8.297 11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.939 -8.889 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.603 -7.457 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.886 -8.312 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.267 -9.715 9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.053 -10.440 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.576 -9.002 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.029 -10.815 6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.963 -9.710 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.438 -11.891 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.447 -11.202 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.796 -12.316 7.934 1.00 0.00 H new ATOM 227 N TRP A 13 7.839 -7.014 11.955 1.00 0.00 N ATOM 228 CA TRP A 13 9.120 -6.411 12.280 1.00 0.00 C ATOM 229 C TRP A 13 10.278 -7.270 11.786 1.00 0.00 C ATOM 230 O TRP A 13 10.621 -8.279 12.407 1.00 0.00 O ATOM 231 CB TRP A 13 9.195 -6.203 13.795 1.00 0.00 C ATOM 232 CG TRP A 13 7.862 -5.840 14.396 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.821 -6.689 14.645 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.422 -4.538 14.813 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.755 -5.995 15.163 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.099 -4.675 15.282 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.013 -3.273 14.833 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.357 -3.593 15.757 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.280 -2.202 15.310 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.964 -2.367 15.764 1.00 0.00 C ATOM 0 H TRP A 13 7.437 -7.567 12.712 1.00 0.00 H new ATOM 0 HA TRP A 13 9.203 -5.448 11.776 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.566 -7.114 14.265 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.915 -5.415 14.015 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.834 -7.753 14.461 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.853 -6.398 15.418 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.025 -3.134 14.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.343 -3.719 16.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.730 -1.220 15.333 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.418 -1.509 16.127 1.00 0.00 H new ATOM 251 N VAL A 14 10.882 -6.866 10.666 1.00 0.00 N ATOM 252 CA VAL A 14 12.000 -7.621 10.091 1.00 0.00 C ATOM 253 C VAL A 14 12.999 -6.707 9.396 1.00 0.00 C ATOM 254 O VAL A 14 12.942 -5.488 9.535 1.00 0.00 O ATOM 255 CB VAL A 14 11.510 -8.672 9.075 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.597 -9.688 9.744 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.809 -7.998 7.905 1.00 0.00 C ATOM 0 H VAL A 14 10.620 -6.030 10.143 1.00 0.00 H new ATOM 0 HA VAL A 14 12.489 -8.122 10.926 1.00 0.00 H new ATOM 0 HB VAL A 14 12.379 -9.206 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.264 -10.419 9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.140 -10.197 10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.731 -9.177 10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.470 -8.756 7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.951 -7.434 8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.503 -7.321 7.406 1.00 0.00 H new ATOM 267 N ASP A 15 13.919 -7.319 8.651 1.00 0.00 N ATOM 268 CA ASP A 15 14.945 -6.585 7.917 1.00 0.00 C ATOM 269 C ASP A 15 14.738 -6.738 6.413 1.00 0.00 C ATOM 270 O ASP A 15 13.798 -7.406 5.979 1.00 0.00 O ATOM 271 CB ASP A 15 16.328 -7.095 8.316 1.00 0.00 C ATOM 272 CG ASP A 15 16.632 -8.461 7.733 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.303 -9.472 8.388 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.201 -8.519 6.622 1.00 0.00 O ATOM 0 H ASP A 15 13.973 -8.332 8.541 1.00 0.00 H new ATOM 0 HA ASP A 15 14.869 -5.527 8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.084 -6.384 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.394 -7.144 9.403 1.00 0.00 H new ATOM 279 N THR A 16 15.617 -6.127 5.615 1.00 0.00 N ATOM 280 CA THR A 16 15.497 -6.211 4.161 1.00 0.00 C ATOM 281 C THR A 16 16.667 -5.541 3.444 1.00 0.00 C ATOM 282 O THR A 16 17.643 -5.126 4.070 1.00 0.00 O ATOM 283 CB THR A 16 14.185 -5.563 3.680 1.00 0.00 C ATOM 284 OG1 THR A 16 13.842 -6.049 2.377 1.00 0.00 O ATOM 285 CG2 THR A 16 14.302 -4.046 3.642 1.00 0.00 C ATOM 0 H THR A 16 16.409 -5.576 5.947 1.00 0.00 H new ATOM 0 HA THR A 16 15.501 -7.273 3.914 1.00 0.00 H new ATOM 0 HB THR A 16 13.401 -5.832 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.006 -5.632 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.361 -3.617 3.299 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.528 -3.673 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.102 -3.760 2.959 1.00 0.00 H new ATOM 293 N HIS A 17 16.551 -5.444 2.120 1.00 0.00 N ATOM 294 CA HIS A 17 17.577 -4.822 1.292 1.00 0.00 C ATOM 295 C HIS A 17 17.023 -3.571 0.614 1.00 0.00 C ATOM 296 O HIS A 17 15.983 -3.053 1.015 1.00 0.00 O ATOM 297 CB HIS A 17 18.085 -5.816 0.246 1.00 0.00 C ATOM 298 CG HIS A 17 19.207 -6.677 0.733 1.00 0.00 C ATOM 299 ND1 HIS A 17 19.035 -7.988 1.129 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.526 -6.411 0.887 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.198 -8.489 1.506 1.00 0.00 C ATOM 302 NE2 HIS A 17 21.119 -7.553 1.367 1.00 0.00 N ATOM 0 H HIS A 17 15.748 -5.793 1.596 1.00 0.00 H new ATOM 0 HA HIS A 17 18.412 -4.530 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.259 -6.454 -0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.416 -5.266 -0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 17 21.020 -5.475 0.672 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.367 -9.493 1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 17 22.110 -7.661 1.581 1.00 0.00 H new ATOM 311 N VAL A 18 17.714 -3.088 -0.415 1.00 0.00 N ATOM 312 CA VAL A 18 17.279 -1.887 -1.125 1.00 0.00 C ATOM 313 C VAL A 18 16.413 -2.219 -2.337 1.00 0.00 C ATOM 314 O VAL A 18 16.710 -3.140 -3.098 1.00 0.00 O ATOM 315 CB VAL A 18 18.480 -1.037 -1.583 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.007 0.271 -2.200 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.423 -0.776 -0.419 1.00 0.00 C ATOM 0 H VAL A 18 18.572 -3.506 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 18 16.682 -1.315 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 18 19.025 -1.593 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.870 0.857 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.376 0.059 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.436 0.836 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.265 -0.174 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.891 -0.241 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.790 -1.725 -0.028 1.00 0.00 H new ATOM 327 N GLY A 19 15.341 -1.448 -2.501 1.00 0.00 N ATOM 328 CA GLY A 19 14.426 -1.638 -3.616 1.00 0.00 C ATOM 329 C GLY A 19 13.857 -3.036 -3.697 1.00 0.00 C ATOM 330 O GLY A 19 13.310 -3.420 -4.731 1.00 0.00 O ATOM 0 H GLY A 19 15.087 -0.685 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.606 -0.925 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.947 -1.412 -4.546 1.00 0.00 H new ATOM 334 N LYS A 20 13.991 -3.807 -2.623 1.00 0.00 N ATOM 335 CA LYS A 20 13.456 -5.159 -2.597 1.00 0.00 C ATOM 336 C LYS A 20 11.940 -5.107 -2.710 1.00 0.00 C ATOM 337 O LYS A 20 11.228 -5.160 -1.707 1.00 0.00 O ATOM 338 CB LYS A 20 13.871 -5.877 -1.312 1.00 0.00 C ATOM 339 CG LYS A 20 14.289 -7.316 -1.531 1.00 0.00 C ATOM 340 CD LYS A 20 15.720 -7.378 -2.014 1.00 0.00 C ATOM 341 CE LYS A 20 16.324 -8.759 -1.815 1.00 0.00 C ATOM 342 NZ LYS A 20 16.328 -9.162 -0.381 1.00 0.00 N ATOM 0 H LYS A 20 14.463 -3.519 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 20 13.860 -5.717 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.696 -5.333 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.040 -5.852 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.187 -7.877 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.631 -7.786 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.759 -7.113 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.317 -6.640 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.760 -9.489 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.345 -8.767 -2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.273 -9.511 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.087 -8.342 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.627 -9.915 -0.230 1.00 0.00 H new ATOM 356 N THR A 21 11.457 -4.984 -3.943 1.00 0.00 N ATOM 357 CA THR A 21 10.030 -4.896 -4.210 1.00 0.00 C ATOM 358 C THR A 21 9.254 -5.974 -3.467 1.00 0.00 C ATOM 359 O THR A 21 9.175 -7.119 -3.912 1.00 0.00 O ATOM 360 CB THR A 21 9.730 -5.013 -5.715 1.00 0.00 C ATOM 361 OG1 THR A 21 10.666 -4.229 -6.465 1.00 0.00 O ATOM 362 CG2 THR A 21 8.316 -4.543 -6.016 1.00 0.00 C ATOM 0 H THR A 21 12.041 -4.943 -4.778 1.00 0.00 H new ATOM 0 HA THR A 21 9.710 -3.916 -3.855 1.00 0.00 H new ATOM 0 HB THR A 21 9.822 -6.060 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.469 -4.311 -7.421 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.122 -4.633 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.603 -5.157 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.207 -3.501 -5.714 1.00 0.00 H new ATOM 370 N THR A 22 8.687 -5.598 -2.328 1.00 0.00 N ATOM 371 CA THR A 22 7.909 -6.525 -1.522 1.00 0.00 C ATOM 372 C THR A 22 6.440 -6.464 -1.908 1.00 0.00 C ATOM 373 O THR A 22 5.713 -5.556 -1.502 1.00 0.00 O ATOM 374 CB THR A 22 8.063 -6.234 -0.015 1.00 0.00 C ATOM 375 OG1 THR A 22 9.429 -6.410 0.379 1.00 0.00 O ATOM 376 CG2 THR A 22 7.172 -7.147 0.815 1.00 0.00 C ATOM 0 H THR A 22 8.752 -4.656 -1.942 1.00 0.00 H new ATOM 0 HA THR A 22 8.292 -7.527 -1.717 1.00 0.00 H new ATOM 0 HB THR A 22 7.759 -5.202 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.016 -5.967 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.302 -6.919 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.130 -6.991 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.445 -8.186 0.632 1.00 0.00 H new ATOM 384 N GLU A 23 6.025 -7.431 -2.716 1.00 0.00 N ATOM 385 CA GLU A 23 4.657 -7.522 -3.177 1.00 0.00 C ATOM 386 C GLU A 23 3.778 -8.178 -2.129 1.00 0.00 C ATOM 387 O GLU A 23 4.107 -9.240 -1.599 1.00 0.00 O ATOM 388 CB GLU A 23 4.616 -8.327 -4.469 1.00 0.00 C ATOM 389 CG GLU A 23 3.235 -8.401 -5.082 1.00 0.00 C ATOM 390 CD GLU A 23 3.252 -8.972 -6.487 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.411 -10.203 -6.626 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.104 -8.188 -7.447 1.00 0.00 O ATOM 0 H GLU A 23 6.632 -8.172 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 23 4.277 -6.516 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.303 -7.881 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.973 -9.338 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.594 -9.016 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.797 -7.403 -5.104 1.00 0.00 H new ATOM 399 N ILE A 24 2.657 -7.540 -1.831 1.00 0.00 N ATOM 400 CA ILE A 24 1.733 -8.061 -0.843 1.00 0.00 C ATOM 401 C ILE A 24 0.294 -8.006 -1.329 1.00 0.00 C ATOM 402 O ILE A 24 -0.316 -6.937 -1.379 1.00 0.00 O ATOM 403 CB ILE A 24 1.832 -7.276 0.471 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.282 -7.233 0.953 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.923 -7.894 1.524 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.477 -6.461 2.241 1.00 0.00 C ATOM 0 H ILE A 24 2.368 -6.661 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 24 2.014 -9.101 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 24 1.502 -6.252 0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.638 -8.253 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.900 -6.785 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.003 -7.327 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.109 -7.871 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.223 -8.927 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.531 -6.476 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.153 -5.430 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.887 -6.921 3.034 1.00 0.00 H new ATOM 418 N HIS A 25 -0.234 -9.162 -1.701 1.00 0.00 N ATOM 419 CA HIS A 25 -1.612 -9.264 -2.147 1.00 0.00 C ATOM 420 C HIS A 25 -2.519 -9.442 -0.939 1.00 0.00 C ATOM 421 O HIS A 25 -2.691 -10.553 -0.438 1.00 0.00 O ATOM 422 CB HIS A 25 -1.787 -10.444 -3.097 1.00 0.00 C ATOM 423 CG HIS A 25 -0.648 -10.636 -4.049 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.114 -11.783 -4.087 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.151 -9.824 -5.011 1.00 0.00 C ATOM 426 CE1 HIS A 25 1.031 -11.669 -5.031 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.891 -10.490 -5.607 1.00 0.00 N ATOM 0 H HIS A 25 0.275 -10.046 -1.702 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.877 -8.351 -2.680 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.913 -11.354 -2.510 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.704 -10.304 -3.668 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.010 -12.594 -3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.508 -8.836 -5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.770 -12.414 -5.288 1.00 0.00 H new ATOM 436 N LEU A 26 -3.090 -8.343 -0.470 1.00 0.00 N ATOM 437 CA LEU A 26 -3.963 -8.378 0.694 1.00 0.00 C ATOM 438 C LEU A 26 -5.407 -8.569 0.268 1.00 0.00 C ATOM 439 O LEU A 26 -5.829 -8.060 -0.765 1.00 0.00 O ATOM 440 CB LEU A 26 -3.831 -7.085 1.495 1.00 0.00 C ATOM 441 CG LEU A 26 -2.417 -6.753 1.980 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.313 -5.278 2.337 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.045 -7.615 3.179 1.00 0.00 C ATOM 0 H LEU A 26 -2.965 -7.416 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.664 -9.218 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.189 -6.259 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.489 -7.146 2.362 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.717 -6.967 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.302 -5.057 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.538 -4.674 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.024 -5.044 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.037 -7.364 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.749 -7.432 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.083 -8.667 2.897 1.00 0.00 H new ATOM 455 N LYS A 27 -6.165 -9.293 1.073 1.00 0.00 N ATOM 456 CA LYS A 27 -7.563 -9.547 0.763 1.00 0.00 C ATOM 457 C LYS A 27 -8.465 -8.628 1.573 1.00 0.00 C ATOM 458 O LYS A 27 -8.039 -8.039 2.567 1.00 0.00 O ATOM 459 CB LYS A 27 -7.917 -11.007 1.034 1.00 0.00 C ATOM 460 CG LYS A 27 -6.871 -11.986 0.526 1.00 0.00 C ATOM 461 CD LYS A 27 -7.341 -13.427 0.651 1.00 0.00 C ATOM 462 CE LYS A 27 -7.502 -13.841 2.105 1.00 0.00 C ATOM 463 NZ LYS A 27 -7.944 -15.257 2.235 1.00 0.00 N ATOM 0 H LYS A 27 -5.839 -9.714 1.943 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.720 -9.343 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.046 -11.149 2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.874 -11.234 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.644 -11.767 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.946 -11.855 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.292 -13.546 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.625 -14.087 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.555 -13.707 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.228 -13.188 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.042 -15.499 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.860 -15.380 1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.239 -15.882 1.795 1.00 0.00 H new ATOM 477 N GLY A 28 -9.712 -8.513 1.142 1.00 0.00 N ATOM 478 CA GLY A 28 -10.656 -7.656 1.829 1.00 0.00 C ATOM 479 C GLY A 28 -12.013 -7.628 1.155 1.00 0.00 C ATOM 480 O GLY A 28 -12.491 -8.652 0.665 1.00 0.00 O ATOM 0 H GLY A 28 -10.088 -8.999 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.772 -7.999 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.256 -6.643 1.874 1.00 0.00 H new ATOM 484 N ASN A 29 -12.630 -6.451 1.126 1.00 0.00 N ATOM 485 CA ASN A 29 -13.941 -6.284 0.508 1.00 0.00 C ATOM 486 C ASN A 29 -14.348 -4.810 0.501 1.00 0.00 C ATOM 487 O ASN A 29 -14.897 -4.308 1.481 1.00 0.00 O ATOM 488 CB ASN A 29 -14.987 -7.115 1.254 1.00 0.00 C ATOM 489 CG ASN A 29 -16.339 -7.097 0.571 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.429 -6.970 -0.651 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.401 -7.226 1.358 1.00 0.00 N ATOM 0 H ASN A 29 -12.242 -5.596 1.525 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.883 -6.632 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.638 -8.145 1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.092 -6.734 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.338 -7.222 0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.280 -7.329 2.366 1.00 0.00 H new ATOM 498 N PRO A 30 -14.074 -4.092 -0.606 1.00 0.00 N ATOM 499 CA PRO A 30 -14.406 -2.666 -0.732 1.00 0.00 C ATOM 500 C PRO A 30 -15.876 -2.361 -0.449 1.00 0.00 C ATOM 501 O PRO A 30 -16.245 -1.207 -0.230 1.00 0.00 O ATOM 502 CB PRO A 30 -14.075 -2.350 -2.193 1.00 0.00 C ATOM 503 CG PRO A 30 -13.060 -3.365 -2.583 1.00 0.00 C ATOM 504 CD PRO A 30 -13.412 -4.610 -1.820 1.00 0.00 C ATOM 0 HA PRO A 30 -13.854 -2.067 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.962 -2.416 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.683 -1.338 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.081 -3.546 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.054 -3.027 -2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.074 -5.259 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.526 -5.196 -1.576 1.00 0.00 H new ATOM 512 N THR A 31 -16.713 -3.394 -0.454 1.00 0.00 N ATOM 513 CA THR A 31 -18.140 -3.218 -0.206 1.00 0.00 C ATOM 514 C THR A 31 -18.462 -3.246 1.286 1.00 0.00 C ATOM 515 O THR A 31 -19.625 -3.353 1.674 1.00 0.00 O ATOM 516 CB THR A 31 -18.970 -4.301 -0.917 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.662 -5.590 -0.377 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.698 -4.294 -2.412 1.00 0.00 C ATOM 0 H THR A 31 -16.429 -4.358 -0.626 1.00 0.00 H new ATOM 0 HA THR A 31 -18.404 -2.239 -0.607 1.00 0.00 H new ATOM 0 HB THR A 31 -20.026 -4.084 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.903 -5.975 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.296 -5.068 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.963 -3.321 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.640 -4.489 -2.590 1.00 0.00 H new ATOM 526 N THR A 32 -17.430 -3.145 2.119 1.00 0.00 N ATOM 527 CA THR A 32 -17.619 -3.156 3.566 1.00 0.00 C ATOM 528 C THR A 32 -17.688 -1.738 4.121 1.00 0.00 C ATOM 529 O THR A 32 -18.678 -1.352 4.743 1.00 0.00 O ATOM 530 CB THR A 32 -16.487 -3.917 4.280 1.00 0.00 C ATOM 531 OG1 THR A 32 -15.216 -3.364 3.919 1.00 0.00 O ATOM 532 CG2 THR A 32 -16.525 -5.396 3.928 1.00 0.00 C ATOM 0 H THR A 32 -16.459 -3.055 1.819 1.00 0.00 H new ATOM 0 HA THR A 32 -18.563 -3.667 3.755 1.00 0.00 H new ATOM 0 HB THR A 32 -16.631 -3.812 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.840 -3.871 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.716 -5.914 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.481 -5.819 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.405 -5.517 2.851 1.00 0.00 H new ATOM 540 N GLY A 33 -16.630 -0.966 3.894 1.00 0.00 N ATOM 541 CA GLY A 33 -16.591 0.400 4.378 1.00 0.00 C ATOM 542 C GLY A 33 -15.176 0.905 4.579 1.00 0.00 C ATOM 543 O GLY A 33 -14.915 2.102 4.454 1.00 0.00 O ATOM 0 H GLY A 33 -15.799 -1.263 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.107 1.048 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.133 0.463 5.321 1.00 0.00 H new ATOM 547 N TYR A 34 -14.260 -0.008 4.890 1.00 0.00 N ATOM 548 CA TYR A 34 -12.865 0.358 5.109 1.00 0.00 C ATOM 549 C TYR A 34 -12.031 0.119 3.852 1.00 0.00 C ATOM 550 O TYR A 34 -12.555 -0.264 2.806 1.00 0.00 O ATOM 551 CB TYR A 34 -12.279 -0.431 6.283 1.00 0.00 C ATOM 552 CG TYR A 34 -12.930 -0.127 7.616 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.195 -0.617 7.916 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.279 0.642 8.577 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.795 -0.348 9.132 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.875 0.914 9.794 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.132 0.417 10.066 1.00 0.00 C ATOM 558 OH TYR A 34 -14.726 0.685 11.278 1.00 0.00 O ATOM 0 H TYR A 34 -14.458 -1.003 4.996 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.833 1.421 5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.378 -1.497 6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.212 -0.218 6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.718 -1.218 7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.294 1.032 8.368 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.779 -0.736 9.349 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.358 1.513 10.529 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.035 0.789 11.965 1.00 0.00 H new ATOM 568 N MET A 35 -10.728 0.352 3.971 1.00 0.00 N ATOM 569 CA MET A 35 -9.802 0.186 2.876 1.00 0.00 C ATOM 570 C MET A 35 -8.440 -0.224 3.403 1.00 0.00 C ATOM 571 O MET A 35 -8.066 0.128 4.519 1.00 0.00 O ATOM 572 CB MET A 35 -9.662 1.500 2.113 1.00 0.00 C ATOM 573 CG MET A 35 -8.301 1.670 1.466 1.00 0.00 C ATOM 574 SD MET A 35 -8.091 3.276 0.674 1.00 0.00 S ATOM 575 CE MET A 35 -9.394 3.227 -0.554 1.00 0.00 C ATOM 0 H MET A 35 -10.290 0.663 4.838 1.00 0.00 H new ATOM 0 HA MET A 35 -10.184 -0.589 2.211 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.432 1.550 1.343 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.839 2.331 2.796 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.527 1.540 2.222 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.157 0.884 0.725 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.896 4.194 -0.591 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.965 3.003 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.115 2.454 -0.289 1.00 0.00 H new ATOM 585 N TRP A 36 -7.694 -0.947 2.588 1.00 0.00 N ATOM 586 CA TRP A 36 -6.362 -1.374 2.966 1.00 0.00 C ATOM 587 C TRP A 36 -5.320 -0.568 2.208 1.00 0.00 C ATOM 588 O TRP A 36 -4.862 -0.972 1.138 1.00 0.00 O ATOM 589 CB TRP A 36 -6.173 -2.857 2.692 1.00 0.00 C ATOM 590 CG TRP A 36 -6.310 -3.711 3.912 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.212 -4.715 4.117 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.523 -3.628 5.101 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.032 -5.260 5.365 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.000 -4.609 5.987 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.458 -2.817 5.501 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.451 -4.800 7.249 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.914 -3.009 6.753 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.412 -3.994 7.614 1.00 0.00 C ATOM 0 H TRP A 36 -7.989 -1.250 1.660 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.238 -1.203 4.035 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.904 -3.177 1.950 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.186 -3.015 2.256 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.957 -5.034 3.403 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.578 -6.024 5.763 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.069 -2.055 4.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.832 -5.558 7.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.090 -2.389 7.075 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.964 -4.119 8.589 1.00 0.00 H new ATOM 609 N THR A 37 -4.956 0.580 2.763 1.00 0.00 N ATOM 610 CA THR A 37 -3.973 1.451 2.131 1.00 0.00 C ATOM 611 C THR A 37 -2.923 1.888 3.154 1.00 0.00 C ATOM 612 O THR A 37 -2.860 1.327 4.247 1.00 0.00 O ATOM 613 CB THR A 37 -4.651 2.684 1.504 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.700 3.437 0.741 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.256 3.566 2.580 1.00 0.00 C ATOM 0 H THR A 37 -5.325 0.930 3.647 1.00 0.00 H new ATOM 0 HA THR A 37 -3.483 0.891 1.334 1.00 0.00 H new ATOM 0 HB THR A 37 -5.447 2.338 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.142 4.217 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.730 4.431 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.001 2.999 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.472 3.902 3.259 1.00 0.00 H new ATOM 623 N ARG A 38 -2.101 2.883 2.818 1.00 0.00 N ATOM 624 CA ARG A 38 -1.069 3.345 3.742 1.00 0.00 C ATOM 625 C ARG A 38 -1.606 4.438 4.667 1.00 0.00 C ATOM 626 O ARG A 38 -2.500 5.197 4.295 1.00 0.00 O ATOM 627 CB ARG A 38 0.163 3.842 2.982 1.00 0.00 C ATOM 628 CG ARG A 38 1.239 2.796 2.802 1.00 0.00 C ATOM 629 CD ARG A 38 2.316 3.270 1.841 1.00 0.00 C ATOM 630 NE ARG A 38 2.824 4.601 2.154 1.00 0.00 N ATOM 631 CZ ARG A 38 3.964 4.814 2.806 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.665 3.789 3.273 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.406 6.050 2.994 1.00 0.00 N ATOM 0 H ARG A 38 -2.129 3.377 1.926 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.772 2.496 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.148 4.200 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.585 4.695 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.688 2.563 3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.794 1.875 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.143 2.560 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.914 3.271 0.828 1.00 0.00 H new ATOM 0 HE ARG A 38 2.277 5.410 1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.330 2.836 3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.539 3.954 3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.871 6.842 2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.281 6.208 3.495 1.00 0.00 H new ATOM 647 N VAL A 39 -1.048 4.506 5.874 1.00 0.00 N ATOM 648 CA VAL A 39 -1.468 5.489 6.869 1.00 0.00 C ATOM 649 C VAL A 39 -1.061 6.904 6.468 1.00 0.00 C ATOM 650 O VAL A 39 0.086 7.148 6.099 1.00 0.00 O ATOM 651 CB VAL A 39 -0.864 5.179 8.253 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.473 6.080 9.316 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.056 3.713 8.612 1.00 0.00 C ATOM 0 H VAL A 39 -0.300 3.888 6.187 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.555 5.428 6.922 1.00 0.00 H new ATOM 0 HB VAL A 39 0.207 5.377 8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.034 5.846 10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.272 7.122 9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.550 5.918 9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.622 3.519 9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.121 3.480 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.563 3.088 7.867 1.00 0.00 H new ATOM 663 N GLY A 40 -2.009 7.834 6.555 1.00 0.00 N ATOM 664 CA GLY A 40 -1.731 9.215 6.202 1.00 0.00 C ATOM 665 C GLY A 40 -1.801 9.459 4.708 1.00 0.00 C ATOM 666 O GLY A 40 -1.480 10.548 4.234 1.00 0.00 O ATOM 0 H GLY A 40 -2.965 7.655 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.445 9.866 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.740 9.487 6.565 1.00 0.00 H new ATOM 670 N PHE A 41 -2.224 8.442 3.967 1.00 0.00 N ATOM 671 CA PHE A 41 -2.337 8.543 2.517 1.00 0.00 C ATOM 672 C PHE A 41 -3.695 8.049 2.054 1.00 0.00 C ATOM 673 O PHE A 41 -4.002 8.055 0.862 1.00 0.00 O ATOM 674 CB PHE A 41 -1.229 7.734 1.853 1.00 0.00 C ATOM 675 CG PHE A 41 0.133 8.115 2.345 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.748 9.271 1.898 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.787 7.324 3.270 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.998 9.630 2.364 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.036 7.677 3.743 1.00 0.00 C ATOM 680 CZ PHE A 41 2.643 8.832 3.289 1.00 0.00 C ATOM 0 H PHE A 41 -2.495 7.535 4.348 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.235 9.590 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.396 6.673 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.275 7.878 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.246 9.899 1.177 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.317 6.420 3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.470 10.533 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.537 7.051 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.620 9.110 3.656 1.00 0.00 H new ATOM 690 N VAL A 42 -4.500 7.615 3.012 1.00 0.00 N ATOM 691 CA VAL A 42 -5.837 7.119 2.726 1.00 0.00 C ATOM 692 C VAL A 42 -6.650 8.152 1.954 1.00 0.00 C ATOM 693 O VAL A 42 -7.129 9.134 2.524 1.00 0.00 O ATOM 694 CB VAL A 42 -6.580 6.755 4.023 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.858 5.997 3.704 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.675 5.954 4.947 1.00 0.00 C ATOM 0 H VAL A 42 -4.248 7.597 4.000 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.726 6.223 2.115 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.856 7.673 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.373 5.746 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.505 6.619 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.613 5.081 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.216 5.705 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.365 5.036 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.795 6.546 5.197 1.00 0.00 H new ATOM 706 N GLY A 43 -6.798 7.925 0.652 1.00 0.00 N ATOM 707 CA GLY A 43 -7.547 8.847 -0.184 1.00 0.00 C ATOM 708 C GLY A 43 -6.650 9.629 -1.121 1.00 0.00 C ATOM 709 O GLY A 43 -7.071 10.029 -2.207 1.00 0.00 O ATOM 0 H GLY A 43 -6.412 7.119 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.282 8.291 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.101 9.540 0.449 1.00 0.00 H new ATOM 713 N LYS A 44 -5.409 9.848 -0.698 1.00 0.00 N ATOM 714 CA LYS A 44 -4.440 10.581 -1.497 1.00 0.00 C ATOM 715 C LYS A 44 -4.128 9.843 -2.796 1.00 0.00 C ATOM 716 O LYS A 44 -4.556 8.705 -2.992 1.00 0.00 O ATOM 717 CB LYS A 44 -3.157 10.788 -0.693 1.00 0.00 C ATOM 718 CG LYS A 44 -3.352 11.631 0.559 1.00 0.00 C ATOM 719 CD LYS A 44 -2.028 11.952 1.237 1.00 0.00 C ATOM 720 CE LYS A 44 -1.313 13.116 0.564 1.00 0.00 C ATOM 721 NZ LYS A 44 -0.871 12.783 -0.818 1.00 0.00 N ATOM 0 H LYS A 44 -5.051 9.525 0.201 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.869 11.550 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.756 9.815 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.412 11.265 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.860 12.559 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.999 11.100 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.206 12.192 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.387 11.071 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.978 13.979 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.447 13.402 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.025 13.270 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.733 11.756 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.596 13.090 -1.498 1.00 0.00 H new ATOM 735 N ASP A 45 -3.379 10.497 -3.679 1.00 0.00 N ATOM 736 CA ASP A 45 -3.009 9.900 -4.959 1.00 0.00 C ATOM 737 C ASP A 45 -1.987 8.793 -4.762 1.00 0.00 C ATOM 738 O ASP A 45 -2.196 7.653 -5.178 1.00 0.00 O ATOM 739 CB ASP A 45 -2.432 10.960 -5.899 1.00 0.00 C ATOM 740 CG ASP A 45 -2.219 10.432 -7.304 1.00 0.00 C ATOM 741 OD1 ASP A 45 -3.180 10.462 -8.102 1.00 0.00 O ATOM 742 OD2 ASP A 45 -1.091 9.991 -7.608 1.00 0.00 O ATOM 0 H ASP A 45 -3.017 11.439 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.911 9.477 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.106 11.816 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.483 11.317 -5.500 1.00 0.00 H new ATOM 747 N VAL A 46 -0.878 9.140 -4.121 1.00 0.00 N ATOM 748 CA VAL A 46 0.190 8.187 -3.871 1.00 0.00 C ATOM 749 C VAL A 46 0.415 7.977 -2.384 1.00 0.00 C ATOM 750 O VAL A 46 0.328 8.911 -1.587 1.00 0.00 O ATOM 751 CB VAL A 46 1.507 8.646 -4.523 1.00 0.00 C ATOM 752 CG1 VAL A 46 2.681 7.799 -4.047 1.00 0.00 C ATOM 753 CG2 VAL A 46 1.382 8.586 -6.031 1.00 0.00 C ATOM 0 H VAL A 46 -0.697 10.078 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.121 7.242 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 46 1.700 9.676 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.597 8.146 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.779 7.888 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.508 6.756 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.317 8.912 -6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.166 7.563 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.573 9.240 -6.355 1.00 0.00 H new ATOM 763 N LEU A 47 0.706 6.737 -2.026 1.00 0.00 N ATOM 764 CA LEU A 47 0.961 6.379 -0.643 1.00 0.00 C ATOM 765 C LEU A 47 2.436 6.581 -0.321 1.00 0.00 C ATOM 766 O LEU A 47 2.791 7.154 0.709 1.00 0.00 O ATOM 767 CB LEU A 47 0.557 4.929 -0.403 1.00 0.00 C ATOM 768 CG LEU A 47 -0.721 4.477 -1.119 1.00 0.00 C ATOM 769 CD1 LEU A 47 -1.015 3.016 -0.813 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.900 5.352 -0.721 1.00 0.00 C ATOM 0 H LEU A 47 0.771 5.957 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 47 0.370 7.020 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.377 4.284 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.426 4.778 0.669 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.565 4.581 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.926 2.712 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.183 2.399 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.148 2.889 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.796 5.013 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.057 5.283 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.693 6.387 -0.992 1.00 0.00 H new ATOM 782 N SER A 48 3.286 6.094 -1.217 1.00 0.00 N ATOM 783 CA SER A 48 4.735 6.224 -1.076 1.00 0.00 C ATOM 784 C SER A 48 5.149 7.690 -0.950 1.00 0.00 C ATOM 785 O SER A 48 4.307 8.587 -0.978 1.00 0.00 O ATOM 786 CB SER A 48 5.427 5.598 -2.288 1.00 0.00 C ATOM 787 OG SER A 48 6.835 5.712 -2.192 1.00 0.00 O ATOM 0 H SER A 48 2.994 5.599 -2.060 1.00 0.00 H new ATOM 0 HA SER A 48 5.037 5.704 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.150 4.547 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.082 6.086 -3.199 1.00 0.00 H new ATOM 0 HG SER A 48 7.134 5.357 -1.329 1.00 0.00 H new ATOM 793 N ASP A 49 6.455 7.927 -0.818 1.00 0.00 N ATOM 794 CA ASP A 49 6.976 9.285 -0.692 1.00 0.00 C ATOM 795 C ASP A 49 8.477 9.334 -0.968 1.00 0.00 C ATOM 796 O ASP A 49 8.901 9.549 -2.103 1.00 0.00 O ATOM 797 CB ASP A 49 6.683 9.847 0.701 1.00 0.00 C ATOM 798 CG ASP A 49 5.589 10.896 0.683 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.406 10.523 0.821 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.917 12.092 0.532 1.00 0.00 O ATOM 0 H ASP A 49 7.168 7.198 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 49 6.472 9.900 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.391 9.033 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.593 10.283 1.113 1.00 0.00 H new ATOM 805 N GLU A 50 9.275 9.133 0.077 1.00 0.00 N ATOM 806 CA GLU A 50 10.726 9.164 -0.048 1.00 0.00 C ATOM 807 C GLU A 50 11.363 7.935 0.592 1.00 0.00 C ATOM 808 O GLU A 50 12.345 7.395 0.084 1.00 0.00 O ATOM 809 CB GLU A 50 11.266 10.430 0.613 1.00 0.00 C ATOM 810 CG GLU A 50 11.000 10.495 2.110 1.00 0.00 C ATOM 811 CD GLU A 50 11.562 11.750 2.748 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.834 12.763 2.807 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.730 11.720 3.190 1.00 0.00 O ATOM 0 H GLU A 50 8.938 8.947 1.022 1.00 0.00 H new ATOM 0 HA GLU A 50 10.980 9.162 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.341 10.490 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.817 11.300 0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.925 10.452 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.437 9.620 2.591 1.00 0.00 H new ATOM 820 N ILE A 51 10.795 7.505 1.711 1.00 0.00 N ATOM 821 CA ILE A 51 11.302 6.349 2.441 1.00 0.00 C ATOM 822 C ILE A 51 11.208 5.081 1.606 1.00 0.00 C ATOM 823 O ILE A 51 12.206 4.605 1.067 1.00 0.00 O ATOM 824 CB ILE A 51 10.518 6.145 3.747 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.418 7.467 4.509 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.173 5.071 4.602 1.00 0.00 C ATOM 827 CD1 ILE A 51 11.749 7.986 5.013 1.00 0.00 C ATOM 0 H ILE A 51 9.977 7.942 2.136 1.00 0.00 H new ATOM 0 HA ILE A 51 12.349 6.547 2.669 1.00 0.00 H new ATOM 0 HB ILE A 51 9.510 5.810 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.969 8.217 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.745 7.337 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.604 4.941 5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.193 4.130 4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.192 5.371 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.596 8.926 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.191 7.256 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.419 8.150 4.169 1.00 0.00 H new ATOM 839 N LEU A 52 10.004 4.532 1.514 1.00 0.00 N ATOM 840 CA LEU A 52 9.778 3.314 0.741 1.00 0.00 C ATOM 841 C LEU A 52 8.944 3.595 -0.502 1.00 0.00 C ATOM 842 O LEU A 52 7.864 4.172 -0.407 1.00 0.00 O ATOM 843 CB LEU A 52 9.050 2.261 1.585 1.00 0.00 C ATOM 844 CG LEU A 52 9.708 1.896 2.916 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.862 0.870 3.655 1.00 0.00 C ATOM 846 CD2 LEU A 52 11.116 1.368 2.696 1.00 0.00 C ATOM 0 H LEU A 52 9.169 4.908 1.963 1.00 0.00 H new ATOM 0 HA LEU A 52 10.757 2.939 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.041 2.621 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.951 1.353 0.990 1.00 0.00 H new ATOM 0 HG LEU A 52 9.777 2.797 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.340 0.618 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.873 1.285 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.766 -0.029 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.564 1.115 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.077 0.478 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.718 2.132 2.205 1.00 0.00 H new ATOM 858 N GLU A 53 9.460 3.206 -1.666 1.00 0.00 N ATOM 859 CA GLU A 53 8.732 3.374 -2.916 1.00 0.00 C ATOM 860 C GLU A 53 7.531 2.438 -2.929 1.00 0.00 C ATOM 861 O GLU A 53 7.518 1.434 -3.642 1.00 0.00 O ATOM 862 CB GLU A 53 9.641 3.075 -4.106 1.00 0.00 C ATOM 863 CG GLU A 53 10.076 4.315 -4.857 1.00 0.00 C ATOM 864 CD GLU A 53 9.259 4.558 -6.111 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.647 4.044 -7.182 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.232 5.263 -6.023 1.00 0.00 O ATOM 0 H GLU A 53 10.378 2.773 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 53 8.390 4.406 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.525 2.544 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.120 2.407 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.991 5.181 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.128 4.221 -5.127 1.00 0.00 H new ATOM 873 N VAL A 54 6.529 2.770 -2.127 1.00 0.00 N ATOM 874 CA VAL A 54 5.340 1.945 -2.016 1.00 0.00 C ATOM 875 C VAL A 54 4.419 2.095 -3.215 1.00 0.00 C ATOM 876 O VAL A 54 3.490 2.902 -3.201 1.00 0.00 O ATOM 877 CB VAL A 54 4.536 2.266 -0.747 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.585 1.123 -0.440 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.460 2.544 0.428 1.00 0.00 C ATOM 0 H VAL A 54 6.518 3.607 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 54 5.704 0.919 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 54 3.951 3.169 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.017 1.355 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.900 0.985 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.155 0.207 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.865 2.768 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.079 1.668 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.099 3.396 0.195 1.00 0.00 H new ATOM 889 N VAL A 55 4.687 1.322 -4.255 1.00 0.00 N ATOM 890 CA VAL A 55 3.854 1.340 -5.438 1.00 0.00 C ATOM 891 C VAL A 55 2.677 0.404 -5.231 1.00 0.00 C ATOM 892 O VAL A 55 2.710 -0.762 -5.623 1.00 0.00 O ATOM 893 CB VAL A 55 4.618 0.912 -6.694 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.737 1.074 -7.922 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.905 1.713 -6.837 1.00 0.00 C ATOM 0 H VAL A 55 5.475 0.676 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 55 3.516 2.365 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 55 4.887 -0.140 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.290 0.767 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.847 0.453 -7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.441 2.118 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.434 1.394 -7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.667 2.774 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.537 1.545 -5.965 1.00 0.00 H new ATOM 905 N CYS A 56 1.651 0.928 -4.593 1.00 0.00 N ATOM 906 CA CYS A 56 0.458 0.154 -4.290 1.00 0.00 C ATOM 907 C CYS A 56 -0.651 0.434 -5.290 1.00 0.00 C ATOM 908 O CYS A 56 -0.768 1.541 -5.817 1.00 0.00 O ATOM 909 CB CYS A 56 -0.030 0.465 -2.876 1.00 0.00 C ATOM 910 SG CYS A 56 -1.616 -0.298 -2.456 1.00 0.00 S ATOM 0 H CYS A 56 1.617 1.895 -4.270 1.00 0.00 H new ATOM 0 HA CYS A 56 0.721 -0.902 -4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.722 0.130 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.118 1.546 -2.763 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.943 0.022 -1.239 1.00 0.00 H new ATOM 916 N LYS A 57 -1.462 -0.582 -5.544 1.00 0.00 N ATOM 917 CA LYS A 57 -2.571 -0.461 -6.471 1.00 0.00 C ATOM 918 C LYS A 57 -3.802 -1.156 -5.914 1.00 0.00 C ATOM 919 O LYS A 57 -3.841 -2.383 -5.794 1.00 0.00 O ATOM 920 CB LYS A 57 -2.205 -1.062 -7.825 1.00 0.00 C ATOM 921 CG LYS A 57 -0.769 -0.792 -8.245 1.00 0.00 C ATOM 922 CD LYS A 57 -0.458 -1.395 -9.606 1.00 0.00 C ATOM 923 CE LYS A 57 -1.164 -0.645 -10.725 1.00 0.00 C ATOM 924 NZ LYS A 57 -0.887 -1.247 -12.058 1.00 0.00 N ATOM 0 H LYS A 57 -1.370 -1.504 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.791 0.598 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.368 -2.139 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.878 -0.662 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.595 0.284 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.088 -1.204 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.618 -1.375 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.763 -2.441 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.239 -0.647 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.843 0.397 -10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.386 -0.707 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.136 -1.222 -12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.217 -2.233 -12.069 1.00 0.00 H new ATOM 938 N TYR A 58 -4.799 -0.361 -5.561 1.00 0.00 N ATOM 939 CA TYR A 58 -6.042 -0.886 -5.022 1.00 0.00 C ATOM 940 C TYR A 58 -6.878 -1.467 -6.158 1.00 0.00 C ATOM 941 O TYR A 58 -7.501 -0.730 -6.923 1.00 0.00 O ATOM 942 CB TYR A 58 -6.809 0.226 -4.290 1.00 0.00 C ATOM 943 CG TYR A 58 -7.958 -0.260 -3.433 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.904 -1.152 -3.933 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.103 0.186 -2.123 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.961 -1.584 -3.159 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.159 -0.245 -1.342 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.086 -1.127 -1.865 1.00 0.00 C ATOM 949 OH TYR A 58 -11.135 -1.552 -1.084 1.00 0.00 O ATOM 0 H TYR A 58 -4.771 0.656 -5.639 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.827 -1.677 -4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.111 0.777 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.195 0.929 -5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.808 -1.512 -4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.382 0.877 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.685 -2.275 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.260 0.106 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.929 -2.435 -0.712 1.00 0.00 H new ATOM 959 N THR A 59 -6.881 -2.792 -6.267 1.00 0.00 N ATOM 960 CA THR A 59 -7.619 -3.472 -7.325 1.00 0.00 C ATOM 961 C THR A 59 -8.947 -4.033 -6.828 1.00 0.00 C ATOM 962 O THR A 59 -8.976 -4.995 -6.064 1.00 0.00 O ATOM 963 CB THR A 59 -6.797 -4.627 -7.921 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.486 -4.167 -8.272 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.483 -5.201 -9.153 1.00 0.00 C ATOM 0 H THR A 59 -6.380 -3.416 -5.635 1.00 0.00 H new ATOM 0 HA THR A 59 -7.815 -2.720 -8.090 1.00 0.00 H new ATOM 0 HB THR A 59 -6.718 -5.412 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.969 -4.909 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.883 -6.016 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.469 -5.577 -8.879 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.589 -4.421 -9.907 1.00 0.00 H new ATOM 973 N PRO A 60 -10.067 -3.431 -7.259 1.00 0.00 N ATOM 974 CA PRO A 60 -11.398 -3.863 -6.895 1.00 0.00 C ATOM 975 C PRO A 60 -12.034 -4.687 -8.012 1.00 0.00 C ATOM 976 O PRO A 60 -12.588 -4.135 -8.964 1.00 0.00 O ATOM 977 CB PRO A 60 -12.106 -2.523 -6.726 1.00 0.00 C ATOM 978 CG PRO A 60 -11.462 -1.622 -7.738 1.00 0.00 C ATOM 979 CD PRO A 60 -10.142 -2.247 -8.120 1.00 0.00 C ATOM 0 HA PRO A 60 -11.438 -4.506 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.177 -2.616 -6.904 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.983 -2.135 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.101 -1.509 -8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.310 -0.625 -7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.115 -2.515 -9.176 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.309 -1.567 -7.942 1.00 0.00 H new ATOM 987 N THR A 61 -11.936 -6.007 -7.904 1.00 0.00 N ATOM 988 CA THR A 61 -12.488 -6.898 -8.919 1.00 0.00 C ATOM 989 C THR A 61 -14.008 -6.996 -8.806 1.00 0.00 C ATOM 990 O THR A 61 -14.554 -7.033 -7.704 1.00 0.00 O ATOM 991 CB THR A 61 -11.886 -8.312 -8.810 1.00 0.00 C ATOM 992 OG1 THR A 61 -10.665 -8.269 -8.062 1.00 0.00 O ATOM 993 CG2 THR A 61 -11.614 -8.896 -10.188 1.00 0.00 C ATOM 0 H THR A 61 -11.481 -6.484 -7.126 1.00 0.00 H new ATOM 0 HA THR A 61 -12.228 -6.470 -9.887 1.00 0.00 H new ATOM 0 HB THR A 61 -12.608 -8.948 -8.298 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.290 -9.172 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.189 -9.894 -10.083 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.547 -8.956 -10.748 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.910 -8.257 -10.722 1.00 0.00 H new ATOM 1001 N PRO A 62 -14.714 -7.041 -9.952 1.00 0.00 N ATOM 1002 CA PRO A 62 -16.178 -7.137 -9.979 1.00 0.00 C ATOM 1003 C PRO A 62 -16.680 -8.440 -9.370 1.00 0.00 C ATOM 1004 O PRO A 62 -15.893 -9.266 -8.906 1.00 0.00 O ATOM 1005 CB PRO A 62 -16.526 -7.081 -11.473 1.00 0.00 C ATOM 1006 CG PRO A 62 -15.307 -6.545 -12.142 1.00 0.00 C ATOM 1007 CD PRO A 62 -14.146 -6.999 -11.309 1.00 0.00 C ATOM 0 HA PRO A 62 -16.643 -6.343 -9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.781 -8.070 -11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.388 -6.438 -11.652 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.225 -6.919 -13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -15.342 -5.457 -12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.780 -7.976 -11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.306 -6.307 -11.375 1.00 0.00 H new ATOM 1015 N SER A 63 -17.996 -8.616 -9.375 1.00 0.00 N ATOM 1016 CA SER A 63 -18.611 -9.819 -8.824 1.00 0.00 C ATOM 1017 C SER A 63 -19.919 -10.137 -9.542 1.00 0.00 C ATOM 1018 O SER A 63 -20.463 -9.298 -10.260 1.00 0.00 O ATOM 1019 CB SER A 63 -18.863 -9.644 -7.325 1.00 0.00 C ATOM 1020 OG SER A 63 -19.544 -10.765 -6.787 1.00 0.00 O ATOM 0 H SER A 63 -18.659 -7.940 -9.755 1.00 0.00 H new ATOM 0 HA SER A 63 -17.925 -10.653 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.914 -9.509 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 63 -19.451 -8.742 -7.155 1.00 0.00 H new ATOM 0 HG SER A 63 -19.691 -10.629 -5.828 1.00 0.00 H new ATOM 1026 N SER A 64 -20.418 -11.355 -9.344 1.00 0.00 N ATOM 1027 CA SER A 64 -21.665 -11.783 -9.971 1.00 0.00 C ATOM 1028 C SER A 64 -22.799 -10.824 -9.625 1.00 0.00 C ATOM 1029 O SER A 64 -23.759 -10.681 -10.381 1.00 0.00 O ATOM 1030 CB SER A 64 -22.025 -13.201 -9.524 1.00 0.00 C ATOM 1031 OG SER A 64 -22.195 -13.266 -8.119 1.00 0.00 O ATOM 0 H SER A 64 -19.978 -12.062 -8.755 1.00 0.00 H new ATOM 0 HA SER A 64 -21.523 -11.777 -11.052 1.00 0.00 H new ATOM 0 HB2 SER A 64 -22.942 -13.520 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 64 -21.240 -13.892 -9.831 1.00 0.00 H new ATOM 0 HG SER A 64 -22.426 -14.182 -7.860 1.00 0.00 H new ATOM 1037 N THR A 65 -22.676 -10.171 -8.474 1.00 0.00 N ATOM 1038 CA THR A 65 -23.681 -9.218 -8.019 1.00 0.00 C ATOM 1039 C THR A 65 -23.814 -8.055 -9.002 1.00 0.00 C ATOM 1040 O THR A 65 -22.920 -7.821 -9.815 1.00 0.00 O ATOM 1041 CB THR A 65 -23.323 -8.667 -6.625 1.00 0.00 C ATOM 1042 OG1 THR A 65 -22.025 -8.065 -6.656 1.00 0.00 O ATOM 1043 CG2 THR A 65 -23.348 -9.774 -5.583 1.00 0.00 C ATOM 0 H THR A 65 -21.887 -10.285 -7.838 1.00 0.00 H new ATOM 0 HA THR A 65 -24.632 -9.747 -7.961 1.00 0.00 H new ATOM 0 HB THR A 65 -24.066 -7.917 -6.353 1.00 0.00 H new ATOM 0 HG1 THR A 65 -21.455 -8.481 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 -23.092 -9.361 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 65 -24.345 -10.212 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 65 -22.625 -10.544 -5.852 1.00 0.00 H new ATOM 1051 N PRO A 66 -24.935 -7.309 -8.944 1.00 0.00 N ATOM 1052 CA PRO A 66 -25.171 -6.167 -9.837 1.00 0.00 C ATOM 1053 C PRO A 66 -24.186 -5.027 -9.584 1.00 0.00 C ATOM 1054 O PRO A 66 -23.062 -5.256 -9.135 1.00 0.00 O ATOM 1055 CB PRO A 66 -26.603 -5.740 -9.497 1.00 0.00 C ATOM 1056 CG PRO A 66 -26.816 -6.218 -8.107 1.00 0.00 C ATOM 1057 CD PRO A 66 -26.059 -7.512 -8.007 1.00 0.00 C ATOM 0 HA PRO A 66 -25.035 -6.428 -10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -26.721 -4.659 -9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -27.323 -6.185 -10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -26.449 -5.492 -7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -27.876 -6.367 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -25.710 -7.699 -6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -26.675 -8.364 -8.294 1.00 0.00 H new ATOM 1065 N MET A 67 -24.610 -3.804 -9.879 1.00 0.00 N ATOM 1066 CA MET A 67 -23.766 -2.626 -9.688 1.00 0.00 C ATOM 1067 C MET A 67 -23.233 -2.550 -8.261 1.00 0.00 C ATOM 1068 O MET A 67 -22.285 -1.815 -7.982 1.00 0.00 O ATOM 1069 CB MET A 67 -24.547 -1.355 -10.023 1.00 0.00 C ATOM 1070 CG MET A 67 -25.060 -1.312 -11.453 1.00 0.00 C ATOM 1071 SD MET A 67 -25.968 0.201 -11.823 1.00 0.00 S ATOM 1072 CE MET A 67 -27.322 0.079 -10.656 1.00 0.00 C ATOM 0 H MET A 67 -25.537 -3.600 -10.253 1.00 0.00 H new ATOM 0 HA MET A 67 -22.915 -2.713 -10.363 1.00 0.00 H new ATOM 0 HB2 MET A 67 -25.392 -1.268 -9.340 1.00 0.00 H new ATOM 0 HB3 MET A 67 -23.907 -0.490 -9.850 1.00 0.00 H new ATOM 0 HG2 MET A 67 -24.218 -1.402 -12.139 1.00 0.00 H new ATOM 0 HG3 MET A 67 -25.707 -2.171 -11.628 1.00 0.00 H new ATOM 0 HE1 MET A 67 -28.244 0.412 -11.132 1.00 0.00 H new ATOM 0 HE2 MET A 67 -27.433 -0.957 -10.335 1.00 0.00 H new ATOM 0 HE3 MET A 67 -27.114 0.707 -9.790 1.00 0.00 H new ATOM 1082 N VAL A 68 -23.846 -3.310 -7.364 1.00 0.00 N ATOM 1083 CA VAL A 68 -23.433 -3.330 -5.966 1.00 0.00 C ATOM 1084 C VAL A 68 -22.652 -4.601 -5.644 1.00 0.00 C ATOM 1085 O VAL A 68 -23.238 -5.663 -5.435 1.00 0.00 O ATOM 1086 CB VAL A 68 -24.644 -3.229 -5.019 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -24.189 -3.197 -3.568 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -25.480 -2.002 -5.350 1.00 0.00 C ATOM 0 H VAL A 68 -24.633 -3.922 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 68 -22.791 -2.463 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 68 -25.265 -4.113 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -25.059 -3.125 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -23.638 -4.109 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -23.544 -2.333 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -26.331 -1.947 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -24.870 -1.106 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -25.839 -2.073 -6.377 1.00 0.00 H new ATOM 1098 N GLY A 69 -21.328 -4.485 -5.610 1.00 0.00 N ATOM 1099 CA GLY A 69 -20.491 -5.632 -5.311 1.00 0.00 C ATOM 1100 C GLY A 69 -19.234 -5.675 -6.160 1.00 0.00 C ATOM 1101 O GLY A 69 -19.292 -5.975 -7.352 1.00 0.00 O ATOM 0 H GLY A 69 -20.820 -3.618 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.213 -5.609 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.063 -6.546 -5.470 1.00 0.00 H new ATOM 1105 N VAL A 70 -18.097 -5.374 -5.542 1.00 0.00 N ATOM 1106 CA VAL A 70 -16.820 -5.379 -6.239 1.00 0.00 C ATOM 1107 C VAL A 70 -15.676 -5.707 -5.278 1.00 0.00 C ATOM 1108 O VAL A 70 -15.046 -4.816 -4.705 1.00 0.00 O ATOM 1109 CB VAL A 70 -16.563 -4.024 -6.931 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -16.698 -2.872 -5.945 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -15.199 -4.009 -7.608 1.00 0.00 C ATOM 0 H VAL A 70 -18.036 -5.123 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.863 -6.154 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 70 -17.321 -3.892 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.512 -1.929 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.705 -2.866 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.974 -2.995 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.042 -3.043 -8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -14.421 -4.174 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -15.156 -4.799 -8.358 1.00 0.00 H new ATOM 1121 N GLY A 71 -15.421 -6.999 -5.099 1.00 0.00 N ATOM 1122 CA GLY A 71 -14.362 -7.432 -4.204 1.00 0.00 C ATOM 1123 C GLY A 71 -13.059 -7.722 -4.924 1.00 0.00 C ATOM 1124 O GLY A 71 -13.044 -8.408 -5.945 1.00 0.00 O ATOM 0 H GLY A 71 -15.929 -7.755 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.192 -6.661 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.685 -8.328 -3.674 1.00 0.00 H new ATOM 1128 N GLY A 72 -11.963 -7.197 -4.384 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.657 -7.411 -4.980 1.00 0.00 C ATOM 1130 C GLY A 72 -9.574 -7.581 -3.934 1.00 0.00 C ATOM 1131 O GLY A 72 -9.771 -8.284 -2.942 1.00 0.00 O ATOM 0 H GLY A 72 -11.957 -6.624 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.689 -8.296 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.410 -6.566 -5.623 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.429 -6.937 -4.147 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.327 -7.018 -3.205 1.00 0.00 C ATOM 1137 C ILE A 73 -6.547 -5.713 -3.166 1.00 0.00 C ATOM 1138 O ILE A 73 -6.997 -4.688 -3.679 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.344 -8.158 -3.533 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.777 -8.016 -4.942 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -6.993 -9.517 -3.345 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.392 -8.615 -5.071 1.00 0.00 C ATOM 0 H ILE A 73 -8.245 -6.355 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.782 -7.220 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.514 -8.083 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.447 -8.502 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.740 -6.960 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.274 -10.300 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.317 -9.626 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.856 -9.603 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.034 -8.488 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.712 -8.112 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.431 -9.677 -4.830 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.374 -5.763 -2.550 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.518 -4.597 -2.428 1.00 0.00 C ATOM 1156 C TYR A 74 -3.068 -4.978 -2.718 1.00 0.00 C ATOM 1157 O TYR A 74 -2.382 -5.533 -1.860 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.651 -4.012 -1.021 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.055 -4.128 -0.456 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.473 -5.285 0.191 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.963 -3.084 -0.574 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.750 -5.399 0.702 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.243 -3.193 -0.062 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.631 -4.351 0.574 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.904 -4.460 1.082 1.00 0.00 O ATOM 0 H TYR A 74 -4.993 -6.608 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.825 -3.844 -3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.955 -4.522 -0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.360 -2.962 -1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.785 -6.111 0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.665 -2.174 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.056 -6.307 1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.937 -2.371 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.398 -3.631 0.908 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.614 -4.686 -3.936 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.251 -5.010 -4.346 1.00 0.00 C ATOM 1177 C VAL A 75 -0.281 -3.915 -3.925 1.00 0.00 C ATOM 1178 O VAL A 75 -0.217 -2.858 -4.547 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.151 -5.214 -5.872 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.298 -5.409 -6.296 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.001 -6.395 -6.307 1.00 0.00 C ATOM 0 H VAL A 75 -3.171 -4.225 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.984 -5.942 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.530 -4.318 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.345 -5.551 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.879 -4.529 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.708 -6.287 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.919 -6.525 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.653 -7.298 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.042 -6.211 -6.042 1.00 0.00 H new ATOM 1191 N VAL A 76 0.472 -4.181 -2.869 1.00 0.00 N ATOM 1192 CA VAL A 76 1.432 -3.210 -2.357 1.00 0.00 C ATOM 1193 C VAL A 76 2.874 -3.594 -2.687 1.00 0.00 C ATOM 1194 O VAL A 76 3.353 -4.652 -2.279 1.00 0.00 O ATOM 1195 CB VAL A 76 1.301 -3.053 -0.830 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.193 -1.927 -0.332 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.147 -2.811 -0.436 1.00 0.00 C ATOM 0 H VAL A 76 0.439 -5.058 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 76 1.200 -2.265 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 76 1.628 -3.981 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.088 -1.830 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.231 -2.150 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.900 -0.992 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.216 -2.703 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.507 -1.901 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.757 -3.655 -0.756 1.00 0.00 H new ATOM 1207 N LEU A 77 3.558 -2.726 -3.436 1.00 0.00 N ATOM 1208 CA LEU A 77 4.955 -2.951 -3.795 1.00 0.00 C ATOM 1209 C LEU A 77 5.842 -1.971 -3.050 1.00 0.00 C ATOM 1210 O LEU A 77 5.991 -0.824 -3.459 1.00 0.00 O ATOM 1211 CB LEU A 77 5.173 -2.791 -5.301 1.00 0.00 C ATOM 1212 CG LEU A 77 4.521 -3.873 -6.166 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.795 -3.613 -7.640 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.019 -5.252 -5.764 1.00 0.00 C ATOM 0 H LEU A 77 3.164 -1.860 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 77 5.215 -3.972 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.786 -1.819 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.245 -2.785 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 77 3.443 -3.839 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.324 -4.392 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.387 -2.642 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.871 -3.619 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.544 -6.007 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.100 -5.301 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.770 -5.438 -4.719 1.00 0.00 H new ATOM 1226 N VAL A 78 6.439 -2.425 -1.962 1.00 0.00 N ATOM 1227 CA VAL A 78 7.289 -1.557 -1.164 1.00 0.00 C ATOM 1228 C VAL A 78 8.756 -1.718 -1.545 1.00 0.00 C ATOM 1229 O VAL A 78 9.399 -2.705 -1.186 1.00 0.00 O ATOM 1230 CB VAL A 78 7.111 -1.825 0.342 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.709 -0.545 1.071 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.084 -2.921 0.578 1.00 0.00 C ATOM 0 H VAL A 78 6.353 -3.380 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 78 6.983 -0.532 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 78 8.067 -2.163 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.588 -0.754 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.484 0.209 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.768 -0.175 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.975 -3.093 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.124 -2.617 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.415 -3.840 0.095 1.00 0.00 H new ATOM 1242 N LYS A 79 9.272 -0.739 -2.285 1.00 0.00 N ATOM 1243 CA LYS A 79 10.663 -0.755 -2.725 1.00 0.00 C ATOM 1244 C LYS A 79 11.515 0.193 -1.883 1.00 0.00 C ATOM 1245 O LYS A 79 11.493 1.404 -2.091 1.00 0.00 O ATOM 1246 CB LYS A 79 10.755 -0.366 -4.200 1.00 0.00 C ATOM 1247 CG LYS A 79 10.590 -1.541 -5.148 1.00 0.00 C ATOM 1248 CD LYS A 79 10.760 -1.118 -6.600 1.00 0.00 C ATOM 1249 CE LYS A 79 9.657 -0.167 -7.041 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.817 0.247 -8.463 1.00 0.00 N ATOM 0 H LYS A 79 8.744 0.078 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 79 11.046 -1.767 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.989 0.378 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.720 0.106 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.322 -2.311 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.604 -1.984 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.729 -0.636 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.757 -2.001 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.688 -0.649 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.663 0.717 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.046 0.894 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.730 0.729 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.786 -0.593 -9.075 1.00 0.00 H new ATOM 1264 N PRO A 80 12.282 -0.353 -0.922 1.00 0.00 N ATOM 1265 CA PRO A 80 13.138 0.446 -0.039 1.00 0.00 C ATOM 1266 C PRO A 80 13.975 1.482 -0.785 1.00 0.00 C ATOM 1267 O PRO A 80 15.027 1.164 -1.340 1.00 0.00 O ATOM 1268 CB PRO A 80 14.044 -0.598 0.610 1.00 0.00 C ATOM 1269 CG PRO A 80 13.238 -1.850 0.610 1.00 0.00 C ATOM 1270 CD PRO A 80 12.372 -1.794 -0.619 1.00 0.00 C ATOM 0 HA PRO A 80 12.546 1.029 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.970 -0.723 0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.322 -0.306 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.884 -2.728 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.630 -1.921 1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.815 -2.350 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.388 -2.226 -0.435 1.00 0.00 H new ATOM 1278 N ARG A 81 13.498 2.723 -0.798 1.00 0.00 N ATOM 1279 CA ARG A 81 14.212 3.810 -1.456 1.00 0.00 C ATOM 1280 C ARG A 81 15.417 4.231 -0.626 1.00 0.00 C ATOM 1281 O ARG A 81 16.468 4.579 -1.164 1.00 0.00 O ATOM 1282 CB ARG A 81 13.287 5.007 -1.662 1.00 0.00 C ATOM 1283 CG ARG A 81 12.962 5.275 -3.118 1.00 0.00 C ATOM 1284 CD ARG A 81 12.041 6.471 -3.265 1.00 0.00 C ATOM 1285 NE ARG A 81 11.815 6.819 -4.667 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.950 7.745 -5.067 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.228 8.414 -4.179 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.803 8.002 -6.360 1.00 0.00 N ATOM 0 H ARG A 81 12.620 3.000 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 81 14.555 3.455 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.359 4.838 -1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.752 5.894 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.884 5.453 -3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.491 4.395 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.086 6.254 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.471 7.326 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 81 12.352 6.323 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.335 8.219 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.565 9.124 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.354 7.489 -7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.139 8.713 -6.666 1.00 0.00 H new ATOM 1302 N LYS A 82 15.251 4.192 0.692 1.00 0.00 N ATOM 1303 CA LYS A 82 16.311 4.565 1.615 1.00 0.00 C ATOM 1304 C LYS A 82 16.800 3.347 2.393 1.00 0.00 C ATOM 1305 O LYS A 82 16.214 2.268 2.305 1.00 0.00 O ATOM 1306 CB LYS A 82 15.806 5.635 2.585 1.00 0.00 C ATOM 1307 CG LYS A 82 15.335 6.908 1.902 1.00 0.00 C ATOM 1308 CD LYS A 82 14.980 7.985 2.914 1.00 0.00 C ATOM 1309 CE LYS A 82 14.515 9.260 2.231 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.562 9.827 1.339 1.00 0.00 N ATOM 0 H LYS A 82 14.384 3.903 1.145 1.00 0.00 H new ATOM 0 HA LYS A 82 17.145 4.967 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.984 5.223 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.604 5.883 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.116 7.276 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.466 6.689 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.195 7.619 3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.848 8.201 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.616 9.053 1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.243 9.998 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.299 10.796 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.473 9.843 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.647 9.239 0.486 1.00 0.00 H new ATOM 1324 N ARG A 83 17.878 3.525 3.149 1.00 0.00 N ATOM 1325 CA ARG A 83 18.442 2.439 3.942 1.00 0.00 C ATOM 1326 C ARG A 83 18.426 2.786 5.428 1.00 0.00 C ATOM 1327 O ARG A 83 19.003 3.790 5.846 1.00 0.00 O ATOM 1328 CB ARG A 83 19.871 2.152 3.490 1.00 0.00 C ATOM 1329 CG ARG A 83 19.994 1.907 1.995 1.00 0.00 C ATOM 1330 CD ARG A 83 21.443 1.924 1.547 1.00 0.00 C ATOM 1331 NE ARG A 83 21.578 1.664 0.117 1.00 0.00 N ATOM 1332 CZ ARG A 83 22.748 1.582 -0.512 1.00 0.00 C ATOM 1333 NH1 ARG A 83 23.879 1.739 0.162 1.00 0.00 N ATOM 1334 NH2 ARG A 83 22.786 1.343 -1.815 1.00 0.00 N ATOM 0 H ARG A 83 18.378 4.410 3.229 1.00 0.00 H new ATOM 0 HA ARG A 83 17.830 1.550 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.507 2.993 3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.245 1.280 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.546 0.945 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.435 2.670 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.883 2.893 1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.004 1.175 2.106 1.00 0.00 H new ATOM 0 HE ARG A 83 20.727 1.538 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.854 1.923 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.774 1.676 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 83 21.918 1.222 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 83 23.683 1.280 -2.296 1.00 0.00 H new ATOM 1348 N GLY A 84 17.762 1.950 6.222 1.00 0.00 N ATOM 1349 CA GLY A 84 17.687 2.188 7.652 1.00 0.00 C ATOM 1350 C GLY A 84 16.317 1.880 8.222 1.00 0.00 C ATOM 1351 O GLY A 84 15.607 1.009 7.716 1.00 0.00 O ATOM 0 H GLY A 84 17.275 1.113 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.433 1.576 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.936 3.229 7.857 1.00 0.00 H new ATOM 1355 N HIS A 85 15.942 2.596 9.279 1.00 0.00 N ATOM 1356 CA HIS A 85 14.648 2.394 9.919 1.00 0.00 C ATOM 1357 C HIS A 85 13.511 2.792 8.985 1.00 0.00 C ATOM 1358 O HIS A 85 13.174 3.971 8.865 1.00 0.00 O ATOM 1359 CB HIS A 85 14.564 3.199 11.217 1.00 0.00 C ATOM 1360 CG HIS A 85 15.617 2.836 12.217 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.753 3.590 12.422 1.00 0.00 N ATOM 1362 CD2 HIS A 85 15.702 1.791 13.076 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.491 3.026 13.361 1.00 0.00 C ATOM 1364 NE2 HIS A 85 16.875 1.934 13.774 1.00 0.00 N ATOM 0 H HIS A 85 16.517 3.321 9.709 1.00 0.00 H new ATOM 0 HA HIS A 85 14.549 1.334 10.152 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.648 4.260 10.983 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.582 3.048 11.665 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.981 0.995 13.190 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.437 3.395 13.728 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.216 1.299 14.496 1.00 0.00 H new ATOM 1373 N HIS A 86 12.925 1.801 8.323 1.00 0.00 N ATOM 1374 CA HIS A 86 11.825 2.039 7.394 1.00 0.00 C ATOM 1375 C HIS A 86 10.690 1.056 7.649 1.00 0.00 C ATOM 1376 O HIS A 86 10.909 -0.023 8.198 1.00 0.00 O ATOM 1377 CB HIS A 86 12.320 1.916 5.954 1.00 0.00 C ATOM 1378 CG HIS A 86 13.492 2.801 5.658 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.631 4.065 6.192 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.588 2.600 4.889 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.759 4.601 5.766 1.00 0.00 C ATOM 1382 NE2 HIS A 86 15.360 3.732 4.975 1.00 0.00 N ATOM 0 H HIS A 86 13.194 0.821 8.413 1.00 0.00 H new ATOM 0 HA HIS A 86 11.447 3.049 7.551 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.596 0.880 5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.505 2.163 5.274 1.00 0.00 H new ATOM 0 HD1 HIS A 86 12.965 4.516 6.819 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.813 1.714 4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.128 5.584 6.021 1.00 0.00 H new ATOM 1391 N THR A 87 9.476 1.427 7.249 1.00 0.00 N ATOM 1392 CA THR A 87 8.318 0.566 7.457 1.00 0.00 C ATOM 1393 C THR A 87 7.170 0.908 6.510 1.00 0.00 C ATOM 1394 O THR A 87 7.067 2.031 6.018 1.00 0.00 O ATOM 1395 CB THR A 87 7.810 0.675 8.907 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.846 0.295 9.818 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.587 -0.203 9.127 1.00 0.00 C ATOM 0 H THR A 87 9.271 2.311 6.783 1.00 0.00 H new ATOM 0 HA THR A 87 8.648 -0.452 7.252 1.00 0.00 H new ATOM 0 HB THR A 87 7.526 1.712 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.476 0.221 10.722 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.250 -0.106 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.789 0.110 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.845 -1.243 8.926 1.00 0.00 H new ATOM 1405 N LEU A 88 6.314 -0.079 6.265 1.00 0.00 N ATOM 1406 CA LEU A 88 5.154 0.097 5.402 1.00 0.00 C ATOM 1407 C LEU A 88 3.892 0.202 6.246 1.00 0.00 C ATOM 1408 O LEU A 88 3.295 -0.808 6.619 1.00 0.00 O ATOM 1409 CB LEU A 88 5.026 -1.070 4.427 1.00 0.00 C ATOM 1410 CG LEU A 88 3.692 -1.144 3.679 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.549 0.032 2.726 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.571 -2.461 2.932 1.00 0.00 C ATOM 0 H LEU A 88 6.405 -1.016 6.657 1.00 0.00 H new ATOM 0 HA LEU A 88 5.285 1.016 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.832 -1.004 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.170 -2.000 4.976 1.00 0.00 H new ATOM 0 HG LEU A 88 2.884 -1.092 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.595 -0.037 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.587 0.964 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.362 0.014 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.617 -2.495 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.385 -2.547 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.625 -3.287 3.641 1.00 0.00 H new ATOM 1424 N GLU A 89 3.501 1.428 6.554 1.00 0.00 N ATOM 1425 CA GLU A 89 2.320 1.669 7.362 1.00 0.00 C ATOM 1426 C GLU A 89 1.034 1.408 6.592 1.00 0.00 C ATOM 1427 O GLU A 89 0.562 2.267 5.856 1.00 0.00 O ATOM 1428 CB GLU A 89 2.331 3.105 7.874 1.00 0.00 C ATOM 1429 CG GLU A 89 3.397 3.349 8.920 1.00 0.00 C ATOM 1430 CD GLU A 89 3.452 4.794 9.376 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.745 5.138 10.347 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.202 5.583 8.763 1.00 0.00 O ATOM 0 H GLU A 89 3.987 2.273 6.255 1.00 0.00 H new ATOM 0 HA GLU A 89 2.348 0.973 8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.490 3.783 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.354 3.343 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.208 2.708 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.368 3.063 8.516 1.00 0.00 H new ATOM 1439 N LEU A 90 0.479 0.213 6.761 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.779 -0.141 6.113 1.00 0.00 C ATOM 1441 C LEU A 90 -1.862 -0.293 7.168 1.00 0.00 C ATOM 1442 O LEU A 90 -1.639 -0.908 8.212 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.653 -1.429 5.293 1.00 0.00 C ATOM 1444 CG LEU A 90 0.113 -1.292 3.975 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.157 -2.627 3.246 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.520 -0.225 3.092 1.00 0.00 C ATOM 0 H LEU A 90 0.879 -0.526 7.340 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.045 0.659 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.158 -2.183 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.654 -1.801 5.076 1.00 0.00 H new ATOM 0 HG LEU A 90 1.134 -0.986 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.705 -2.513 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.657 -3.367 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.859 -2.959 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.040 -0.144 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.552 -0.500 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.502 0.734 3.610 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.032 0.267 6.898 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.128 0.213 7.851 1.00 0.00 C ATOM 1460 C VAL A 91 -5.479 0.033 7.153 1.00 0.00 C ATOM 1461 O VAL A 91 -5.641 0.389 5.978 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.162 1.507 8.689 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.324 2.721 7.782 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.264 1.457 9.739 1.00 0.00 C ATOM 0 H VAL A 91 -3.245 0.761 6.032 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.957 -0.649 8.496 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.212 1.596 9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.346 3.627 8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.486 2.770 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.256 2.635 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.262 2.384 10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.230 1.337 9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.090 0.615 10.409 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.437 -0.538 7.887 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.788 -0.748 7.378 1.00 0.00 C ATOM 1476 C TYR A 92 -8.689 0.377 7.882 1.00 0.00 C ATOM 1477 O TYR A 92 -9.306 0.262 8.940 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.319 -2.109 7.839 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.434 -2.673 6.984 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.385 -2.596 5.597 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.533 -3.293 7.566 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.399 -3.119 4.816 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.549 -3.820 6.792 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.478 -3.731 5.419 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.488 -4.255 4.644 1.00 0.00 O ATOM 0 H TYR A 92 -6.297 -0.864 8.843 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.776 -0.739 6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.494 -2.821 7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.677 -2.016 8.864 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.541 -2.120 5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.594 -3.364 8.642 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.346 -3.049 3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.395 -4.300 7.261 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.262 -3.654 4.666 1.00 0.00 H new ATOM 1495 N THR A 93 -8.754 1.465 7.120 1.00 0.00 N ATOM 1496 CA THR A 93 -9.536 2.637 7.513 1.00 0.00 C ATOM 1497 C THR A 93 -10.666 2.951 6.543 1.00 0.00 C ATOM 1498 O THR A 93 -10.766 2.360 5.479 1.00 0.00 O ATOM 1499 CB THR A 93 -8.630 3.870 7.587 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.411 5.043 7.833 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.861 4.029 6.286 1.00 0.00 C ATOM 0 H THR A 93 -8.274 1.561 6.225 1.00 0.00 H new ATOM 0 HA THR A 93 -9.970 2.399 8.484 1.00 0.00 H new ATOM 0 HB THR A 93 -7.924 3.736 8.406 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.169 5.738 7.186 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.220 4.908 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.248 3.144 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.563 4.149 5.461 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.506 3.910 6.924 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.622 4.336 6.090 1.00 0.00 C ATOM 1511 C ARG A 94 -12.295 5.663 5.403 1.00 0.00 C ATOM 1512 O ARG A 94 -12.510 6.729 5.978 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.890 4.491 6.931 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.392 3.187 7.527 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.666 3.395 8.329 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.745 3.944 7.512 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.946 4.256 7.989 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.222 4.072 9.273 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.874 4.750 7.181 1.00 0.00 N ATOM 0 H ARG A 94 -11.432 4.408 7.811 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.792 3.573 5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.696 5.198 7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.676 4.923 6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.577 2.468 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.622 2.759 8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.984 2.444 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.464 4.068 9.162 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.567 4.097 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.512 3.690 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.144 4.312 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.667 4.891 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.795 4.989 7.548 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.755 5.616 4.170 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.400 6.821 3.413 1.00 0.00 C ATOM 1535 C PRO A 95 -12.473 7.903 3.490 1.00 0.00 C ATOM 1536 O PRO A 95 -12.167 9.096 3.521 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.274 6.295 1.988 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.787 4.898 2.158 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.441 4.385 3.414 1.00 0.00 C ATOM 0 HA PRO A 95 -10.499 7.299 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.231 6.323 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.575 6.892 1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.055 4.283 1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.701 4.870 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.340 3.811 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.774 3.729 3.974 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.730 7.476 3.518 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.854 8.403 3.589 1.00 0.00 C ATOM 1549 C PHE A 96 -14.954 9.049 4.969 1.00 0.00 C ATOM 1550 O PHE A 96 -15.249 10.240 5.085 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.157 7.670 3.257 1.00 0.00 C ATOM 1552 CG PHE A 96 -17.393 8.481 3.524 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -17.851 9.399 2.595 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -18.095 8.323 4.709 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -18.989 10.147 2.841 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -19.232 9.066 4.961 1.00 0.00 C ATOM 1557 CZ PHE A 96 -19.679 9.980 4.025 1.00 0.00 C ATOM 0 H PHE A 96 -13.997 6.492 3.493 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.687 9.194 2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.143 7.381 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.204 6.750 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -17.314 9.533 1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.749 7.611 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -19.337 10.860 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -19.771 8.933 5.888 1.00 0.00 H new ATOM 0 HZ PHE A 96 -20.567 10.563 4.220 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.709 8.262 6.012 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.786 8.755 7.377 1.00 0.00 C ATOM 1569 C GLU A 97 -13.407 9.150 7.906 1.00 0.00 C ATOM 1570 O GLU A 97 -13.102 10.335 8.049 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.409 7.682 8.273 1.00 0.00 C ATOM 1572 CG GLU A 97 -15.181 7.913 9.751 1.00 0.00 C ATOM 1573 CD GLU A 97 -15.814 9.197 10.251 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -16.989 9.157 10.670 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -15.133 10.244 10.222 1.00 0.00 O ATOM 0 H GLU A 97 -14.455 7.277 5.934 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.411 9.648 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -16.481 7.641 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -14.999 6.710 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.587 7.071 10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -14.109 7.941 9.948 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.582 8.150 8.192 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.250 8.401 8.712 1.00 0.00 C ATOM 1584 C GLY A 98 -10.649 7.169 9.344 1.00 0.00 C ATOM 1585 O GLY A 98 -11.290 6.120 9.411 1.00 0.00 O ATOM 0 H GLY A 98 -12.813 7.164 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.604 8.746 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.294 9.202 9.450 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.418 7.298 9.808 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.721 6.183 10.424 1.00 0.00 C ATOM 1591 C ILE A 99 -8.952 6.145 11.927 1.00 0.00 C ATOM 1592 O ILE A 99 -9.112 7.182 12.571 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.217 6.252 10.132 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.984 6.696 8.684 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.578 4.895 10.394 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.583 7.203 8.421 1.00 0.00 C ATOM 0 H ILE A 99 -8.881 8.164 9.770 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.126 5.269 9.991 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.753 6.985 10.792 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.188 5.857 8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.698 7.481 8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.510 4.949 10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.730 4.616 11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.036 4.146 9.748 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.493 7.499 7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.381 8.063 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.864 6.413 8.637 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.968 4.938 12.479 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.196 4.746 13.902 1.00 0.00 C ATOM 1610 C LYS A 100 -8.200 3.749 14.490 1.00 0.00 C ATOM 1611 O LYS A 100 -7.566 2.989 13.758 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.627 4.254 14.117 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.670 5.133 13.445 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.041 4.477 13.441 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.623 4.410 12.037 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.954 3.745 12.017 1.00 0.00 N ATOM 0 H LYS A 100 -8.825 4.073 11.957 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.052 5.698 14.414 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.716 3.238 13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.833 4.210 15.187 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.727 6.091 13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.364 5.342 12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.965 3.471 13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.715 5.037 14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.715 5.419 11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.937 3.868 11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.567 4.216 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.839 2.745 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.388 3.809 12.960 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.049 3.747 15.824 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.128 2.840 16.515 1.00 0.00 C ATOM 1632 C PRO A 101 -7.595 1.390 16.454 1.00 0.00 C ATOM 1633 O PRO A 101 -6.792 0.477 16.261 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.145 3.347 17.960 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.456 4.039 18.104 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.767 4.628 16.760 1.00 0.00 C ATOM 0 HA PRO A 101 -6.137 2.841 16.062 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.052 2.524 18.669 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.315 4.028 18.150 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.234 3.340 18.412 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.405 4.816 18.867 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.839 4.634 16.563 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.423 5.659 16.684 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.898 1.188 16.621 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.476 -0.149 16.581 1.00 0.00 C ATOM 1646 C GLU A 102 -9.320 -0.769 15.197 1.00 0.00 C ATOM 1647 O GLU A 102 -9.297 -1.992 15.052 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.950 -0.101 16.967 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.735 0.903 16.154 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.199 0.958 16.541 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.547 1.756 17.437 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.999 0.205 15.946 1.00 0.00 O ATOM 0 H GLU A 102 -9.574 1.934 16.785 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.940 -0.770 17.299 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.388 -1.090 16.835 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.036 0.148 18.025 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.293 1.891 16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.653 0.651 15.097 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.218 0.084 14.182 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.060 -0.373 12.804 1.00 0.00 C ATOM 1661 C ASN A 103 -7.889 -1.342 12.671 1.00 0.00 C ATOM 1662 O ASN A 103 -6.909 -1.251 13.411 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.851 0.822 11.874 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.127 1.609 11.635 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.083 1.488 12.550 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.254 2.313 10.634 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.242 1.098 14.288 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.971 -0.899 12.520 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.097 1.482 12.302 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.462 0.470 10.919 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.494 2.378 9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.119 2.832 10.482 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.001 -2.269 11.722 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.957 -3.254 11.483 1.00 0.00 C ATOM 1675 C GLU A 104 -5.621 -2.574 11.205 1.00 0.00 C ATOM 1676 O GLU A 104 -5.575 -1.394 10.856 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.345 -4.151 10.309 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.929 -5.598 10.488 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.773 -6.556 9.668 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.900 -6.873 10.104 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.308 -6.988 8.593 1.00 0.00 O ATOM 0 H GLU A 104 -8.809 -2.356 11.106 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.848 -3.865 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.425 -4.107 10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.890 -3.761 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.882 -5.709 10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.004 -5.865 11.542 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.540 -3.329 11.356 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.198 -2.799 11.137 1.00 0.00 C ATOM 1690 C ARG A 105 -2.376 -3.738 10.259 1.00 0.00 C ATOM 1691 O ARG A 105 -2.751 -4.890 10.047 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.494 -2.605 12.489 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.075 -2.067 12.384 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.071 -0.552 12.391 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.571 -0.024 13.655 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.594 1.270 13.959 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.144 2.166 13.092 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.067 1.668 15.133 1.00 0.00 N ATOM 0 H ARG A 105 -4.565 -4.311 11.629 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.285 -1.840 10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.085 -1.921 13.098 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.470 -3.560 13.013 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.477 -2.440 13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.610 -2.432 11.468 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.058 -0.189 12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.686 -0.181 11.571 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.924 -0.686 14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.779 1.863 12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.163 3.158 13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.413 0.981 15.803 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.084 2.661 15.366 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.280 -3.214 9.718 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.359 -3.991 8.896 1.00 0.00 C ATOM 1714 C TYR A 106 0.874 -3.151 8.584 1.00 0.00 C ATOM 1715 O TYR A 106 1.071 -2.693 7.460 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.036 -4.478 7.614 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.216 -5.472 6.830 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.310 -6.827 7.101 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.643 -5.061 5.820 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.428 -7.749 6.391 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.387 -5.978 5.103 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.276 -7.322 5.393 1.00 0.00 C ATOM 1723 OH TYR A 106 2.015 -8.239 4.681 1.00 0.00 O ATOM 0 H TYR A 106 -1.006 -2.239 9.837 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.052 -4.877 9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.993 -4.933 7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.251 -3.618 6.979 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.973 -7.167 7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.731 -4.009 5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.342 -8.802 6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.052 -5.644 4.320 1.00 0.00 H new ATOM 0 HH TYR A 106 1.527 -9.088 4.636 1.00 0.00 H new ATOM 1733 N THR A 107 1.693 -2.934 9.609 1.00 0.00 N ATOM 1734 CA THR A 107 2.906 -2.142 9.473 1.00 0.00 C ATOM 1735 C THR A 107 4.116 -3.030 9.211 1.00 0.00 C ATOM 1736 O THR A 107 4.778 -3.482 10.144 1.00 0.00 O ATOM 1737 CB THR A 107 3.162 -1.305 10.739 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.055 -1.427 11.639 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.372 0.160 10.390 1.00 0.00 C ATOM 0 H THR A 107 1.535 -3.299 10.548 1.00 0.00 H new ATOM 0 HA THR A 107 2.761 -1.475 8.623 1.00 0.00 H new ATOM 0 HB THR A 107 4.066 -1.682 11.217 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.226 -0.893 12.443 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.551 0.729 11.302 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.232 0.257 9.727 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.484 0.546 9.890 1.00 0.00 H new ATOM 1747 N LEU A 108 4.401 -3.282 7.938 1.00 0.00 N ATOM 1748 CA LEU A 108 5.535 -4.118 7.571 1.00 0.00 C ATOM 1749 C LEU A 108 6.849 -3.399 7.848 1.00 0.00 C ATOM 1750 O LEU A 108 7.369 -2.679 6.995 1.00 0.00 O ATOM 1751 CB LEU A 108 5.456 -4.524 6.097 1.00 0.00 C ATOM 1752 CG LEU A 108 6.694 -5.243 5.549 1.00 0.00 C ATOM 1753 CD1 LEU A 108 7.050 -6.439 6.419 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.464 -5.674 4.110 1.00 0.00 C ATOM 0 H LEU A 108 3.865 -2.921 7.148 1.00 0.00 H new ATOM 0 HA LEU A 108 5.498 -5.020 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.590 -5.172 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.281 -3.629 5.499 1.00 0.00 H new ATOM 0 HG LEU A 108 7.533 -4.548 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.931 -6.935 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.259 -6.101 7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.215 -7.139 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.352 -6.183 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.612 -6.352 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.263 -4.797 3.495 1.00 0.00 H new ATOM 1766 N HIS A 109 7.377 -3.592 9.052 1.00 0.00 N ATOM 1767 CA HIS A 109 8.630 -2.964 9.443 1.00 0.00 C ATOM 1768 C HIS A 109 9.802 -3.612 8.720 1.00 0.00 C ATOM 1769 O HIS A 109 9.806 -4.817 8.468 1.00 0.00 O ATOM 1770 CB HIS A 109 8.815 -3.026 10.954 1.00 0.00 C ATOM 1771 CG HIS A 109 8.056 -1.965 11.688 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.647 -0.819 12.176 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.744 -1.875 12.008 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.732 -0.069 12.763 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.569 -0.687 12.676 1.00 0.00 N ATOM 0 H HIS A 109 6.956 -4.178 9.772 1.00 0.00 H new ATOM 0 HA HIS A 109 8.594 -1.914 9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.496 -4.005 11.312 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.876 -2.931 11.187 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.978 -2.601 11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.906 0.887 13.234 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.684 -0.339 13.045 1.00 0.00 H new ATOM 1784 N LEU A 110 10.802 -2.799 8.409 1.00 0.00 N ATOM 1785 CA LEU A 110 11.972 -3.259 7.674 1.00 0.00 C ATOM 1786 C LEU A 110 13.235 -2.525 8.110 1.00 0.00 C ATOM 1787 O LEU A 110 13.352 -1.312 7.934 1.00 0.00 O ATOM 1788 CB LEU A 110 11.758 -3.035 6.173 1.00 0.00 C ATOM 1789 CG LEU A 110 10.587 -3.808 5.556 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.383 -3.392 4.107 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.816 -5.308 5.655 1.00 0.00 C ATOM 0 H LEU A 110 10.826 -1.810 8.657 1.00 0.00 H new ATOM 0 HA LEU A 110 12.101 -4.320 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.600 -1.970 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.672 -3.312 5.647 1.00 0.00 H new ATOM 0 HG LEU A 110 9.684 -3.567 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.548 -3.950 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.167 -2.325 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.288 -3.603 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.972 -5.835 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.730 -5.572 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.911 -5.593 6.703 1.00 0.00 H new ATOM 1803 N ASN A 111 14.176 -3.266 8.683 1.00 0.00 N ATOM 1804 CA ASN A 111 15.446 -2.697 9.107 1.00 0.00 C ATOM 1805 C ASN A 111 16.383 -2.659 7.907 1.00 0.00 C ATOM 1806 O ASN A 111 17.518 -3.132 7.965 1.00 0.00 O ATOM 1807 CB ASN A 111 16.054 -3.527 10.241 1.00 0.00 C ATOM 1808 CG ASN A 111 17.261 -2.859 10.872 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.126 -2.038 11.779 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.450 -3.214 10.399 1.00 0.00 N ATOM 0 H ASN A 111 14.081 -4.265 8.864 1.00 0.00 H new ATOM 0 HA ASN A 111 15.291 -1.686 9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.297 -3.699 11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.345 -4.504 9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.298 -2.802 10.789 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.516 -3.899 9.646 1.00 0.00 H new ATOM 1817 N VAL A 112 15.872 -2.092 6.817 1.00 0.00 N ATOM 1818 CA VAL A 112 16.604 -1.984 5.561 1.00 0.00 C ATOM 1819 C VAL A 112 18.091 -1.731 5.791 1.00 0.00 C ATOM 1820 O VAL A 112 18.473 -0.746 6.424 1.00 0.00 O ATOM 1821 CB VAL A 112 16.034 -0.851 4.685 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.445 -1.038 3.236 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.520 -0.781 4.810 1.00 0.00 C ATOM 0 H VAL A 112 14.934 -1.693 6.782 1.00 0.00 H new ATOM 0 HA VAL A 112 16.486 -2.939 5.048 1.00 0.00 H new ATOM 0 HB VAL A 112 16.447 0.094 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.033 -0.228 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.532 -1.028 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.065 -1.992 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.140 0.026 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.084 -1.727 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.249 -0.592 5.849 1.00 0.00 H new ATOM 1833 N LYS A 113 18.925 -2.629 5.275 1.00 0.00 N ATOM 1834 CA LYS A 113 20.370 -2.508 5.422 1.00 0.00 C ATOM 1835 C LYS A 113 20.888 -1.256 4.724 1.00 0.00 C ATOM 1836 O LYS A 113 21.122 -1.314 3.498 1.00 0.00 O ATOM 1837 CB LYS A 113 21.064 -3.748 4.855 1.00 0.00 C ATOM 1838 CG LYS A 113 20.728 -5.030 5.602 1.00 0.00 C ATOM 1839 CD LYS A 113 21.250 -4.998 7.031 1.00 0.00 C ATOM 1840 CE LYS A 113 20.889 -6.266 7.785 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.418 -6.256 9.177 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.057 -0.225 5.409 1.00 0.00 O ATOM 0 H LYS A 113 18.623 -3.450 4.750 1.00 0.00 H new ATOM 0 HA LYS A 113 20.596 -2.426 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.784 -3.864 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.143 -3.594 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.648 -5.174 5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.158 -5.882 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.333 -4.875 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.836 -4.134 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.805 -6.377 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.286 -7.130 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.150 -7.139 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.455 -6.176 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.020 -5.446 9.694 1.00 0.00 H new TER 1856 LYS A 113