USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 34 SER OG : rot 180:sc= -0.0302 USER MOD Set 1.2: A 41 ASN :FLIP amide:sc= -0.414 F(o=-1.8,f=-0.44) USER MOD Single : A 23 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= -2.29! USER MOD Single : A 39 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.26) USER MOD Single : A 42 MET CE :methyl 168:sc= 0 (180deg=-0.175) USER MOD Single : A 43 TYR OH : rot 180:sc=-0.00167 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= -6.1! (180deg=-8.62!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -41:sc= 0.844 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 0.0987 (180deg=0.0905) USER MOD Single : A 62 MET CE :methyl 177:sc= -3.43! (180deg=-3.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -9.19! C(o=-9.2!,f=-10!) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0312 F(o=-0.59,f=-0.031) USER MOD Single : A 75 TYR OH : rot 145:sc= 0.146 USER MOD Single : A 79 GLN : amide:sc= -2.03 K(o=-2,f=-15!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.207 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.047) USER MOD Single : A 94 ASN : amide:sc= -1.33 K(o=-1.3,f=-3!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 158:sc= -1.18 (180deg=-2.44) USER MOD Single : A 100 ASN : amide:sc= -3.53! C(o=-3.5!,f=-6.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -23:sc= 0.373 USER MOD Single : A 104 ASN :FLIP amide:sc= -0.568 F(o=-1.8,f=-0.57) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -114:sc= 1.3 (180deg=-0.703) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 63.803 12.263 -18.741 1.00 0.00 N ATOM 2 CA GLN A 23 63.656 10.952 -19.363 1.00 0.00 C ATOM 3 C GLN A 23 64.196 9.842 -18.440 1.00 0.00 C ATOM 4 O GLN A 23 65.381 9.529 -18.459 1.00 0.00 O ATOM 5 CB GLN A 23 64.420 10.920 -20.695 1.00 0.00 C ATOM 6 CG GLN A 23 63.616 11.524 -21.856 1.00 0.00 C ATOM 7 CD GLN A 23 64.345 11.259 -23.187 1.00 0.00 C ATOM 8 OE1 GLN A 23 64.996 10.247 -23.369 1.00 0.00 O ATOM 9 NE2 GLN A 23 64.189 12.242 -24.097 1.00 0.00 N ATOM 0 HA GLN A 23 62.595 10.775 -19.540 1.00 0.00 H new ATOM 0 HB2 GLN A 23 65.357 11.466 -20.585 1.00 0.00 H new ATOM 0 HB3 GLN A 23 64.679 9.889 -20.936 1.00 0.00 H new ATOM 0 HG2 GLN A 23 62.617 11.088 -21.885 1.00 0.00 H new ATOM 0 HG3 GLN A 23 63.492 12.596 -21.706 1.00 0.00 H new ATOM 0 HE21 GLN A 23 63.627 13.062 -23.870 1.00 0.00 H new ATOM 0 HE22 GLN A 23 64.633 12.165 -25.012 1.00 0.00 H new ATOM 17 N GLN A 24 63.259 9.267 -17.654 1.00 0.00 N ATOM 18 CA GLN A 24 63.587 8.215 -16.691 1.00 0.00 C ATOM 19 C GLN A 24 62.886 6.915 -17.097 1.00 0.00 C ATOM 20 O GLN A 24 61.733 6.918 -17.516 1.00 0.00 O ATOM 21 CB GLN A 24 63.132 8.664 -15.292 1.00 0.00 C ATOM 22 CG GLN A 24 64.322 8.947 -14.369 1.00 0.00 C ATOM 23 CD GLN A 24 63.857 9.677 -13.101 1.00 0.00 C ATOM 24 OE1 GLN A 24 63.967 10.879 -12.980 1.00 0.00 O ATOM 25 NE2 GLN A 24 63.321 8.853 -12.172 1.00 0.00 N ATOM 0 H GLN A 24 62.271 9.520 -17.675 1.00 0.00 H new ATOM 0 HA GLN A 24 64.662 8.037 -16.676 1.00 0.00 H new ATOM 0 HB2 GLN A 24 62.519 9.561 -15.380 1.00 0.00 H new ATOM 0 HB3 GLN A 24 62.504 7.891 -14.849 1.00 0.00 H new ATOM 0 HG2 GLN A 24 64.811 8.011 -14.098 1.00 0.00 H new ATOM 0 HG3 GLN A 24 65.061 9.552 -14.894 1.00 0.00 H new ATOM 0 HE21 GLN A 24 63.265 7.850 -12.351 1.00 0.00 H new ATOM 0 HE22 GLN A 24 62.973 9.234 -11.292 1.00 0.00 H new ATOM 34 N VAL A 25 63.660 5.814 -16.957 1.00 0.00 N ATOM 35 CA VAL A 25 63.186 4.498 -17.378 1.00 0.00 C ATOM 36 C VAL A 25 63.658 3.471 -16.333 1.00 0.00 C ATOM 37 O VAL A 25 64.438 3.798 -15.442 1.00 0.00 O ATOM 38 CB VAL A 25 63.702 4.195 -18.809 1.00 0.00 C ATOM 39 CG1 VAL A 25 62.889 3.072 -19.474 1.00 0.00 C ATOM 40 CG2 VAL A 25 63.674 5.443 -19.714 1.00 0.00 C ATOM 0 H VAL A 25 64.600 5.821 -16.561 1.00 0.00 H new ATOM 0 HA VAL A 25 62.098 4.455 -17.428 1.00 0.00 H new ATOM 0 HB VAL A 25 64.737 3.872 -18.695 1.00 0.00 H new ATOM 0 HG11 VAL A 25 63.277 2.886 -20.475 1.00 0.00 H new ATOM 0 HG12 VAL A 25 62.970 2.163 -18.878 1.00 0.00 H new ATOM 0 HG13 VAL A 25 61.843 3.371 -19.540 1.00 0.00 H new ATOM 0 HG21 VAL A 25 64.044 5.182 -20.705 1.00 0.00 H new ATOM 0 HG22 VAL A 25 62.651 5.812 -19.794 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.307 6.219 -19.283 1.00 0.00 H new ATOM 50 N GLY A 26 63.154 2.223 -16.487 1.00 0.00 N ATOM 51 CA GLY A 26 63.582 1.117 -15.630 1.00 0.00 C ATOM 52 C GLY A 26 65.113 0.990 -15.629 1.00 0.00 C ATOM 53 O GLY A 26 65.748 1.181 -16.661 1.00 0.00 O ATOM 0 H GLY A 26 62.460 1.970 -17.190 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.225 1.280 -14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.135 0.186 -15.979 1.00 0.00 H new ATOM 57 N ASP A 27 65.661 0.714 -14.424 1.00 0.00 N ATOM 58 CA ASP A 27 67.111 0.758 -14.250 1.00 0.00 C ATOM 59 C ASP A 27 67.479 0.277 -12.833 1.00 0.00 C ATOM 60 O ASP A 27 67.231 0.951 -11.842 1.00 0.00 O ATOM 61 CB ASP A 27 67.638 2.204 -14.475 1.00 0.00 C ATOM 62 CG ASP A 27 68.205 2.471 -15.886 1.00 0.00 C ATOM 63 OD1 ASP A 27 68.643 1.534 -16.552 1.00 0.00 O ATOM 64 OD2 ASP A 27 68.199 3.628 -16.305 1.00 0.00 O ATOM 0 H ASP A 27 65.132 0.467 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 27 67.576 0.100 -14.984 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.826 2.906 -14.286 1.00 0.00 H new ATOM 0 HB3 ASP A 27 68.416 2.411 -13.740 1.00 0.00 H new ATOM 69 N CYS A 28 68.102 -0.918 -12.809 1.00 0.00 N ATOM 70 CA CYS A 28 68.496 -1.540 -11.551 1.00 0.00 C ATOM 71 C CYS A 28 69.742 -2.404 -11.779 1.00 0.00 C ATOM 72 O CYS A 28 70.002 -2.865 -12.890 1.00 0.00 O ATOM 73 CB CYS A 28 67.324 -2.392 -11.045 1.00 0.00 C ATOM 74 SG CYS A 28 66.679 -3.486 -12.329 1.00 0.00 S ATOM 0 H CYS A 28 68.337 -1.458 -13.642 1.00 0.00 H new ATOM 0 HA CYS A 28 68.738 -0.783 -10.805 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.650 -2.987 -10.192 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.527 -1.738 -10.691 1.00 0.00 H new ATOM 0 HG CYS A 28 65.693 -4.184 -11.849 1.00 0.00 H new ATOM 80 N CYS A 29 70.499 -2.579 -10.677 1.00 0.00 N ATOM 81 CA CYS A 29 71.754 -3.320 -10.724 1.00 0.00 C ATOM 82 C CYS A 29 72.006 -3.967 -9.358 1.00 0.00 C ATOM 83 O CYS A 29 71.495 -3.499 -8.350 1.00 0.00 O ATOM 84 CB CYS A 29 72.892 -2.348 -11.060 1.00 0.00 C ATOM 85 SG CYS A 29 73.286 -1.194 -9.724 1.00 0.00 S ATOM 0 H CYS A 29 70.257 -2.216 -9.755 1.00 0.00 H new ATOM 0 HA CYS A 29 71.705 -4.098 -11.486 1.00 0.00 H new ATOM 0 HB2 CYS A 29 73.785 -2.921 -11.308 1.00 0.00 H new ATOM 0 HB3 CYS A 29 72.621 -1.780 -11.950 1.00 0.00 H new ATOM 0 HG CYS A 29 74.258 -0.415 -10.096 1.00 0.00 H new ATOM 91 N ILE A 30 72.808 -5.050 -9.366 1.00 0.00 N ATOM 92 CA ILE A 30 73.112 -5.769 -8.129 1.00 0.00 C ATOM 93 C ILE A 30 74.492 -5.322 -7.634 1.00 0.00 C ATOM 94 O ILE A 30 75.491 -5.411 -8.338 1.00 0.00 O ATOM 95 CB ILE A 30 73.096 -7.283 -8.391 1.00 0.00 C ATOM 96 CG1 ILE A 30 71.699 -7.743 -8.836 1.00 0.00 C ATOM 97 CG2 ILE A 30 73.569 -8.118 -7.184 1.00 0.00 C ATOM 98 CD1 ILE A 30 71.687 -9.196 -9.309 1.00 0.00 C ATOM 0 H ILE A 30 73.246 -5.435 -10.203 1.00 0.00 H new ATOM 0 HA ILE A 30 72.364 -5.547 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 30 73.812 -7.458 -9.194 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.000 -7.628 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.347 -7.099 -9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.533 -9.177 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.592 -7.841 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 30 72.917 -7.927 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 30 70.677 -9.472 -9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.364 -9.308 -10.156 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.012 -9.846 -8.496 1.00 0.00 H new ATOM 110 N ILE A 31 74.464 -4.861 -6.371 1.00 0.00 N ATOM 111 CA ILE A 31 75.646 -4.373 -5.682 1.00 0.00 C ATOM 112 C ILE A 31 75.895 -5.266 -4.449 1.00 0.00 C ATOM 113 O ILE A 31 74.980 -5.879 -3.915 1.00 0.00 O ATOM 114 CB ILE A 31 75.358 -2.911 -5.289 1.00 0.00 C ATOM 115 CG1 ILE A 31 74.045 -2.788 -4.488 1.00 0.00 C ATOM 116 CG2 ILE A 31 75.305 -1.982 -6.525 1.00 0.00 C ATOM 117 CD1 ILE A 31 74.124 -1.772 -3.346 1.00 0.00 C ATOM 0 H ILE A 31 73.614 -4.821 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 31 76.542 -4.409 -6.301 1.00 0.00 H new ATOM 0 HB ILE A 31 76.186 -2.593 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 31 73.240 -2.501 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.785 -3.764 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 31 75.100 -0.961 -6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 31 76.262 -2.013 -7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.515 -2.316 -7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 31 73.168 -1.736 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.907 -2.069 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 31 74.354 -0.787 -3.751 1.00 0.00 H new ATOM 129 N ARG A 32 77.182 -5.307 -4.041 1.00 0.00 N ATOM 130 CA ARG A 32 77.602 -6.065 -2.871 1.00 0.00 C ATOM 131 C ARG A 32 77.699 -5.092 -1.689 1.00 0.00 C ATOM 132 O ARG A 32 78.094 -3.941 -1.886 1.00 0.00 O ATOM 133 CB ARG A 32 78.926 -6.782 -3.200 1.00 0.00 C ATOM 134 CG ARG A 32 80.212 -5.973 -2.968 1.00 0.00 C ATOM 135 CD ARG A 32 81.409 -6.825 -2.590 1.00 0.00 C ATOM 136 NE ARG A 32 81.986 -7.416 -3.777 1.00 0.00 N ATOM 137 CZ ARG A 32 83.216 -7.937 -3.653 1.00 0.00 C ATOM 138 NH1 ARG A 32 84.257 -7.140 -3.418 1.00 0.00 N ATOM 139 NH2 ARG A 32 83.379 -9.250 -3.751 1.00 0.00 N ATOM 0 H ARG A 32 77.941 -4.818 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 32 76.889 -6.841 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.981 -7.691 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 32 78.899 -7.089 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 32 80.447 -5.413 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 32 80.034 -5.242 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 32 82.153 -6.215 -2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 32 81.105 -7.607 -1.895 1.00 0.00 H new ATOM 0 HE ARG A 32 81.483 -7.436 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 32 84.119 -6.133 -3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 32 85.192 -7.537 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 32 82.574 -9.853 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 32 84.310 -9.657 -3.658 1.00 0.00 H new ATOM 153 N VAL A 33 77.326 -5.558 -0.482 1.00 0.00 N ATOM 154 CA VAL A 33 77.363 -4.711 0.710 1.00 0.00 C ATOM 155 C VAL A 33 77.853 -5.514 1.938 1.00 0.00 C ATOM 156 O VAL A 33 77.363 -6.598 2.234 1.00 0.00 O ATOM 157 CB VAL A 33 75.991 -4.035 0.952 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.128 -2.657 1.627 1.00 0.00 C ATOM 159 CG2 VAL A 33 75.150 -3.937 -0.332 1.00 0.00 C ATOM 0 H VAL A 33 76.999 -6.509 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 33 78.083 -3.909 0.546 1.00 0.00 H new ATOM 0 HB VAL A 33 75.456 -4.687 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.139 -2.224 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.622 -2.772 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.721 -1.998 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.198 -3.456 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.688 -3.349 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 33 74.967 -4.937 -0.724 1.00 0.00 H new ATOM 169 N SER A 34 78.859 -4.957 2.630 1.00 0.00 N ATOM 170 CA SER A 34 79.394 -5.591 3.830 1.00 0.00 C ATOM 171 C SER A 34 79.053 -4.707 4.992 1.00 0.00 C ATOM 172 O SER A 34 78.773 -3.526 4.833 1.00 0.00 O ATOM 173 CB SER A 34 80.915 -5.714 3.739 1.00 0.00 C ATOM 174 OG SER A 34 81.550 -6.258 4.884 1.00 0.00 O ATOM 0 H SER A 34 79.310 -4.078 2.377 1.00 0.00 H new ATOM 0 HA SER A 34 78.970 -6.589 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.162 -6.335 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.332 -4.725 3.548 1.00 0.00 H new ATOM 0 HG SER A 34 82.517 -6.299 4.733 1.00 0.00 H new ATOM 180 N LEU A 35 79.116 -5.364 6.162 1.00 0.00 N ATOM 181 CA LEU A 35 78.910 -4.507 7.365 1.00 0.00 C ATOM 182 C LEU A 35 80.248 -3.963 7.901 1.00 0.00 C ATOM 183 O LEU A 35 81.313 -4.437 7.534 1.00 0.00 O ATOM 184 CB LEU A 35 78.100 -5.262 8.424 1.00 0.00 C ATOM 185 CG LEU A 35 76.658 -4.764 8.552 1.00 0.00 C ATOM 186 CD1 LEU A 35 75.971 -4.774 7.190 1.00 0.00 C ATOM 187 CD2 LEU A 35 75.925 -5.632 9.576 1.00 0.00 C ATOM 0 H LEU A 35 79.285 -6.359 6.310 1.00 0.00 H new ATOM 0 HA LEU A 35 78.325 -3.633 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 35 78.090 -6.323 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 35 78.597 -5.165 9.389 1.00 0.00 H new ATOM 0 HG LEU A 35 76.644 -3.733 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 35 74.946 -4.417 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 35 76.513 -4.122 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 35 75.962 -5.790 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 35 74.896 -5.286 9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 35 75.929 -6.670 9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.427 -5.559 10.541 1.00 0.00 H new ATOM 199 N ASP A 36 80.108 -2.949 8.793 1.00 0.00 N ATOM 200 CA ASP A 36 81.209 -2.349 9.551 1.00 0.00 C ATOM 201 C ASP A 36 81.850 -3.320 10.560 1.00 0.00 C ATOM 202 O ASP A 36 81.675 -3.195 11.765 1.00 0.00 O ATOM 203 CB ASP A 36 80.645 -1.141 10.314 1.00 0.00 C ATOM 204 CG ASP A 36 79.354 -1.412 11.145 1.00 0.00 C ATOM 205 OD1 ASP A 36 79.077 -2.555 11.505 1.00 0.00 O ATOM 206 OD2 ASP A 36 78.630 -0.465 11.426 1.00 0.00 O ATOM 0 H ASP A 36 79.204 -2.525 9.001 1.00 0.00 H new ATOM 0 HA ASP A 36 81.990 -2.067 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.417 -0.766 10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 36 80.434 -0.347 9.597 1.00 0.00 H new ATOM 211 N VAL A 37 82.588 -4.296 9.995 1.00 0.00 N ATOM 212 CA VAL A 37 83.026 -5.421 10.817 1.00 0.00 C ATOM 213 C VAL A 37 84.502 -5.659 10.593 1.00 0.00 C ATOM 214 O VAL A 37 85.310 -5.418 11.493 1.00 0.00 O ATOM 215 CB VAL A 37 82.174 -6.695 10.587 1.00 0.00 C ATOM 216 CG1 VAL A 37 82.092 -7.522 11.882 1.00 0.00 C ATOM 217 CG2 VAL A 37 80.780 -6.403 10.022 1.00 0.00 C ATOM 0 H VAL A 37 82.878 -4.324 9.018 1.00 0.00 H new ATOM 0 HA VAL A 37 82.871 -5.166 11.865 1.00 0.00 H new ATOM 0 HB VAL A 37 82.683 -7.280 9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 37 81.491 -8.414 11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 37 83.095 -7.816 12.190 1.00 0.00 H new ATOM 0 HG13 VAL A 37 81.632 -6.923 12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.239 -7.339 9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.233 -5.765 10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 37 80.875 -5.896 9.062 1.00 0.00 H new ATOM 227 N ASP A 38 84.807 -6.113 9.359 1.00 0.00 N ATOM 228 CA ASP A 38 86.180 -6.291 8.892 1.00 0.00 C ATOM 229 C ASP A 38 86.759 -7.638 9.366 1.00 0.00 C ATOM 230 O ASP A 38 87.328 -8.385 8.568 1.00 0.00 O ATOM 231 CB ASP A 38 87.090 -5.101 9.269 1.00 0.00 C ATOM 232 CG ASP A 38 86.373 -3.748 9.047 1.00 0.00 C ATOM 233 OD1 ASP A 38 86.047 -3.432 7.903 1.00 0.00 O ATOM 234 OD2 ASP A 38 86.135 -3.036 10.023 1.00 0.00 O ATOM 0 H ASP A 38 84.102 -6.364 8.666 1.00 0.00 H new ATOM 0 HA ASP A 38 86.149 -6.313 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 38 87.391 -5.188 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 38 88.001 -5.134 8.671 1.00 0.00 H new ATOM 239 N ASN A 39 86.576 -7.898 10.680 1.00 0.00 N ATOM 240 CA ASN A 39 86.988 -9.116 11.374 1.00 0.00 C ATOM 241 C ASN A 39 86.181 -10.331 10.878 1.00 0.00 C ATOM 242 O ASN A 39 85.285 -10.809 11.559 1.00 0.00 O ATOM 243 CB ASN A 39 86.715 -8.915 12.881 1.00 0.00 C ATOM 244 CG ASN A 39 86.991 -10.185 13.720 1.00 0.00 C ATOM 245 OD1 ASN A 39 86.112 -10.753 14.327 1.00 0.00 O ATOM 246 ND2 ASN A 39 88.276 -10.600 13.649 1.00 0.00 N ATOM 0 H ASN A 39 86.118 -7.232 11.302 1.00 0.00 H new ATOM 0 HA ASN A 39 88.044 -9.304 11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 39 87.336 -8.099 13.251 1.00 0.00 H new ATOM 0 HB3 ASN A 39 85.677 -8.613 13.019 1.00 0.00 H new ATOM 0 HD21 ASN A 39 88.564 -11.452 14.130 1.00 0.00 H new ATOM 0 HD22 ASN A 39 88.957 -10.061 13.114 1.00 0.00 H new ATOM 253 N GLY A 40 86.547 -10.795 9.661 1.00 0.00 N ATOM 254 CA GLY A 40 85.790 -11.857 9.018 1.00 0.00 C ATOM 255 C GLY A 40 84.321 -11.455 8.807 1.00 0.00 C ATOM 256 O GLY A 40 83.729 -10.703 9.581 1.00 0.00 O ATOM 0 H GLY A 40 87.345 -10.451 9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 40 86.244 -12.098 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 40 85.837 -12.759 9.628 1.00 0.00 H new ATOM 260 N ASN A 41 83.753 -11.969 7.711 1.00 0.00 N ATOM 261 CA ASN A 41 82.373 -11.587 7.454 1.00 0.00 C ATOM 262 C ASN A 41 81.833 -12.511 6.377 1.00 0.00 C ATOM 263 O ASN A 41 82.417 -13.537 6.056 1.00 0.00 O ATOM 264 CB ASN A 41 82.306 -10.086 7.059 1.00 0.00 C ATOM 265 CG ASN A 41 81.079 -9.347 7.633 1.00 0.00 C ATOM 266 OD1 ASN A 41 80.911 -9.527 8.965 1.00 0.00 O flip ATOM 267 ND2 ASN A 41 80.363 -8.661 6.933 1.00 0.00 N flip ATOM 0 H ASN A 41 84.189 -12.600 7.039 1.00 0.00 H new ATOM 0 HA ASN A 41 81.752 -11.694 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 41 83.213 -9.588 7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 41 82.291 -10.006 5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 41 80.556 -8.575 5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 41 79.568 -8.170 7.343 1.00 0.00 H new ATOM 274 N MET A 42 80.678 -12.067 5.849 1.00 0.00 N ATOM 275 CA MET A 42 80.026 -12.821 4.807 1.00 0.00 C ATOM 276 C MET A 42 79.766 -11.905 3.632 1.00 0.00 C ATOM 277 O MET A 42 79.928 -12.342 2.515 1.00 0.00 O ATOM 278 CB MET A 42 78.753 -13.481 5.343 1.00 0.00 C ATOM 279 CG MET A 42 78.622 -14.942 4.893 1.00 0.00 C ATOM 280 SD MET A 42 77.298 -15.766 5.791 1.00 0.00 S ATOM 281 CE MET A 42 75.893 -15.002 4.962 1.00 0.00 C ATOM 0 H MET A 42 80.201 -11.210 6.129 1.00 0.00 H new ATOM 0 HA MET A 42 80.667 -13.632 4.463 1.00 0.00 H new ATOM 0 HB2 MET A 42 78.754 -13.437 6.432 1.00 0.00 H new ATOM 0 HB3 MET A 42 77.884 -12.919 5.002 1.00 0.00 H new ATOM 0 HG2 MET A 42 78.422 -14.982 3.822 1.00 0.00 H new ATOM 0 HG3 MET A 42 79.563 -15.466 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 42 74.980 -15.535 5.227 1.00 0.00 H new ATOM 0 HE2 MET A 42 75.809 -13.961 5.273 1.00 0.00 H new ATOM 0 HE3 MET A 42 76.039 -15.047 3.883 1.00 0.00 H new ATOM 291 N TYR A 43 79.386 -10.635 3.818 1.00 0.00 N ATOM 292 CA TYR A 43 79.110 -9.850 2.601 1.00 0.00 C ATOM 293 C TYR A 43 77.839 -10.404 1.887 1.00 0.00 C ATOM 294 O TYR A 43 77.752 -11.563 1.524 1.00 0.00 O ATOM 295 CB TYR A 43 80.311 -9.902 1.604 1.00 0.00 C ATOM 296 CG TYR A 43 80.848 -8.564 1.208 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.007 -7.597 0.684 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.203 -8.287 1.365 1.00 0.00 C ATOM 299 CE1 TYR A 43 80.516 -6.350 0.351 1.00 0.00 C ATOM 300 CE2 TYR A 43 82.715 -7.045 1.019 1.00 0.00 C ATOM 301 CZ TYR A 43 81.860 -6.068 0.524 1.00 0.00 C ATOM 302 OH TYR A 43 82.323 -4.805 0.224 1.00 0.00 O ATOM 0 H TYR A 43 79.269 -10.158 4.712 1.00 0.00 H new ATOM 0 HA TYR A 43 78.951 -8.815 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 43 81.116 -10.483 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 43 79.998 -10.434 0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 43 78.959 -7.812 0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 43 82.862 -9.046 1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 43 79.857 -5.592 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 43 83.769 -6.839 1.133 1.00 0.00 H new ATOM 0 HH TYR A 43 83.286 -4.760 0.398 1.00 0.00 H new ATOM 312 N LYS A 44 76.868 -9.502 1.700 1.00 0.00 N ATOM 313 CA LYS A 44 75.593 -9.893 1.104 1.00 0.00 C ATOM 314 C LYS A 44 75.404 -9.091 -0.180 1.00 0.00 C ATOM 315 O LYS A 44 76.112 -8.129 -0.430 1.00 0.00 O ATOM 316 CB LYS A 44 74.481 -9.683 2.137 1.00 0.00 C ATOM 317 CG LYS A 44 74.670 -8.424 2.975 1.00 0.00 C ATOM 318 CD LYS A 44 74.544 -7.110 2.200 1.00 0.00 C ATOM 319 CE LYS A 44 73.251 -7.046 1.425 1.00 0.00 C ATOM 320 NZ LYS A 44 72.180 -7.444 2.308 1.00 0.00 N ATOM 0 H LYS A 44 76.941 -8.515 1.949 1.00 0.00 H new ATOM 0 HA LYS A 44 75.567 -10.948 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 44 73.522 -9.629 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 44 74.440 -10.549 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 44 73.935 -8.427 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 44 75.654 -8.460 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 44 74.595 -6.271 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 44 75.385 -7.009 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 44 73.081 -6.036 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 44 73.294 -7.704 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 71.299 -6.972 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 72.053 -8.475 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 72.415 -7.172 3.284 1.00 0.00 H new ATOM 334 N SER A 45 74.428 -9.544 -0.985 1.00 0.00 N ATOM 335 CA SER A 45 74.140 -8.898 -2.260 1.00 0.00 C ATOM 336 C SER A 45 72.649 -8.562 -2.329 1.00 0.00 C ATOM 337 O SER A 45 71.803 -9.314 -1.856 1.00 0.00 O ATOM 338 CB SER A 45 74.517 -9.882 -3.363 1.00 0.00 C ATOM 339 OG SER A 45 73.866 -11.116 -3.102 1.00 0.00 O ATOM 0 H SER A 45 73.836 -10.346 -0.772 1.00 0.00 H new ATOM 0 HA SER A 45 74.705 -7.973 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 45 74.218 -9.494 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 45 75.598 -10.022 -3.394 1.00 0.00 H new ATOM 0 HG SER A 45 74.095 -11.762 -3.803 1.00 0.00 H new ATOM 345 N ILE A 46 72.388 -7.381 -2.929 1.00 0.00 N ATOM 346 CA ILE A 46 71.033 -6.848 -3.031 1.00 0.00 C ATOM 347 C ILE A 46 70.911 -6.095 -4.365 1.00 0.00 C ATOM 348 O ILE A 46 71.904 -5.672 -4.946 1.00 0.00 O ATOM 349 CB ILE A 46 70.749 -5.915 -1.834 1.00 0.00 C ATOM 350 CG1 ILE A 46 71.818 -4.814 -1.716 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.627 -6.700 -0.518 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.387 -3.681 -0.790 1.00 0.00 C ATOM 0 H ILE A 46 73.104 -6.787 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 46 70.299 -7.653 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 46 69.789 -5.435 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.745 -5.250 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.030 -4.410 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.427 -6.009 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 46 69.809 -7.416 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.558 -7.232 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.176 -2.931 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.475 -3.224 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.201 -4.078 0.208 1.00 0.00 H new ATOM 364 N LEU A 47 69.641 -5.955 -4.804 1.00 0.00 N ATOM 365 CA LEU A 47 69.333 -5.247 -6.042 1.00 0.00 C ATOM 366 C LEU A 47 68.844 -3.824 -5.701 1.00 0.00 C ATOM 367 O LEU A 47 67.942 -3.622 -4.902 1.00 0.00 O ATOM 368 CB LEU A 47 68.244 -6.017 -6.795 1.00 0.00 C ATOM 369 CG LEU A 47 67.826 -5.350 -8.125 1.00 0.00 C ATOM 370 CD1 LEU A 47 68.399 -6.094 -9.333 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.304 -5.233 -8.216 1.00 0.00 C ATOM 0 H LEU A 47 68.825 -6.324 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 47 70.221 -5.176 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.600 -7.027 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.368 -6.112 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 47 68.245 -4.344 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 47 68.084 -5.596 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 47 69.488 -6.096 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 47 68.034 -7.121 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 47 66.031 -4.761 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 47 65.859 -6.227 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 47 65.935 -4.628 -7.388 1.00 0.00 H new ATOM 383 N VAL A 48 69.510 -2.875 -6.390 1.00 0.00 N ATOM 384 CA VAL A 48 69.273 -1.443 -6.297 1.00 0.00 C ATOM 385 C VAL A 48 68.449 -1.020 -7.536 1.00 0.00 C ATOM 386 O VAL A 48 68.612 -1.599 -8.595 1.00 0.00 O ATOM 387 CB VAL A 48 70.683 -0.785 -6.223 1.00 0.00 C ATOM 388 CG1 VAL A 48 71.156 -0.147 -7.551 1.00 0.00 C ATOM 389 CG2 VAL A 48 70.855 0.121 -4.993 1.00 0.00 C ATOM 0 H VAL A 48 70.254 -3.107 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 48 68.700 -1.134 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 48 71.378 -1.611 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 48 72.146 0.288 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 48 71.201 -0.912 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.455 0.632 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.856 0.551 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 48 70.116 0.922 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 48 70.715 -0.467 -4.086 1.00 0.00 H new ATOM 399 N THR A 49 67.574 0.001 -7.356 1.00 0.00 N ATOM 400 CA THR A 49 66.723 0.523 -8.435 1.00 0.00 C ATOM 401 C THR A 49 66.997 2.000 -8.728 1.00 0.00 C ATOM 402 O THR A 49 67.863 2.620 -8.081 1.00 0.00 O ATOM 403 CB THR A 49 65.261 0.300 -8.022 1.00 0.00 C ATOM 404 OG1 THR A 49 65.105 0.843 -6.716 1.00 0.00 O ATOM 405 CG2 THR A 49 64.912 -1.199 -8.075 1.00 0.00 C ATOM 0 H THR A 49 67.445 0.477 -6.463 1.00 0.00 H new ATOM 0 HA THR A 49 66.945 -0.007 -9.361 1.00 0.00 H new ATOM 0 HB THR A 49 64.574 0.798 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.179 0.720 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.872 -1.341 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.055 -1.570 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.561 -1.748 -7.393 1.00 0.00 H new ATOM 413 N SER A 50 66.306 2.610 -9.676 1.00 0.00 N ATOM 414 CA SER A 50 66.505 4.039 -9.953 1.00 0.00 C ATOM 415 C SER A 50 65.857 4.950 -8.867 1.00 0.00 C ATOM 416 O SER A 50 65.059 5.825 -9.205 1.00 0.00 O ATOM 417 CB SER A 50 65.921 4.351 -11.347 1.00 0.00 C ATOM 418 OG SER A 50 65.837 3.167 -12.130 1.00 0.00 O ATOM 0 H SER A 50 65.609 2.153 -10.265 1.00 0.00 H new ATOM 0 HA SER A 50 67.574 4.253 -9.932 1.00 0.00 H new ATOM 0 HB2 SER A 50 64.931 4.795 -11.242 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.547 5.085 -11.854 1.00 0.00 H new ATOM 0 HG SER A 50 66.644 2.628 -11.995 1.00 0.00 H new ATOM 424 N GLN A 51 66.184 4.716 -7.574 1.00 0.00 N ATOM 425 CA GLN A 51 65.417 5.316 -6.488 1.00 0.00 C ATOM 426 C GLN A 51 65.908 4.933 -5.104 1.00 0.00 C ATOM 427 O GLN A 51 65.788 5.729 -4.182 1.00 0.00 O ATOM 428 CB GLN A 51 63.923 4.990 -6.582 1.00 0.00 C ATOM 429 CG GLN A 51 63.146 6.158 -7.209 1.00 0.00 C ATOM 430 CD GLN A 51 61.919 6.504 -6.366 1.00 0.00 C ATOM 431 OE1 GLN A 51 61.968 7.295 -5.450 1.00 0.00 O ATOM 432 NE2 GLN A 51 60.826 5.821 -6.762 1.00 0.00 N ATOM 0 H GLN A 51 66.960 4.126 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 51 65.571 6.387 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 51 63.780 4.090 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 51 63.530 4.778 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 51 63.795 7.030 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 51 62.836 5.894 -8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 51 60.886 5.174 -7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 51 59.939 5.951 -6.275 1.00 0.00 H new ATOM 441 N ASP A 52 66.445 3.695 -5.022 1.00 0.00 N ATOM 442 CA ASP A 52 67.166 3.194 -3.850 1.00 0.00 C ATOM 443 C ASP A 52 67.798 4.325 -3.034 1.00 0.00 C ATOM 444 O ASP A 52 68.860 4.846 -3.354 1.00 0.00 O ATOM 445 CB ASP A 52 68.298 2.280 -4.326 1.00 0.00 C ATOM 446 CG ASP A 52 68.951 2.740 -5.630 1.00 0.00 C ATOM 447 OD1 ASP A 52 69.004 3.929 -5.922 1.00 0.00 O ATOM 448 OD2 ASP A 52 69.410 1.897 -6.365 1.00 0.00 O ATOM 0 H ASP A 52 66.385 3.015 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 52 66.448 2.668 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 52 69.060 2.224 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.907 1.272 -4.462 1.00 0.00 H new ATOM 453 N LYS A 53 67.069 4.697 -1.983 1.00 0.00 N ATOM 454 CA LYS A 53 67.585 5.751 -1.142 1.00 0.00 C ATOM 455 C LYS A 53 68.569 5.081 -0.203 1.00 0.00 C ATOM 456 O LYS A 53 68.427 3.882 0.089 1.00 0.00 O ATOM 457 CB LYS A 53 66.411 6.465 -0.460 1.00 0.00 C ATOM 458 CG LYS A 53 65.469 5.517 0.274 1.00 0.00 C ATOM 459 CD LYS A 53 64.342 6.239 1.004 1.00 0.00 C ATOM 460 CE LYS A 53 63.154 5.322 1.323 1.00 0.00 C ATOM 461 NZ LYS A 53 63.146 4.918 2.722 1.00 0.00 N ATOM 0 H LYS A 53 66.168 4.304 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 53 68.113 6.539 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 53 66.802 7.197 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 53 65.846 7.018 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 53 65.040 4.815 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 53 66.041 4.930 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 53 64.728 6.661 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 53 63.997 7.074 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 53 62.223 5.838 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 53 63.197 4.437 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 62.329 4.299 2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 64.024 4.404 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 63.080 5.762 3.327 1.00 0.00 H new ATOM 475 N ALA A 54 69.565 5.840 0.240 1.00 0.00 N ATOM 476 CA ALA A 54 70.489 5.368 1.267 1.00 0.00 C ATOM 477 C ALA A 54 69.798 4.527 2.378 1.00 0.00 C ATOM 478 O ALA A 54 70.127 3.367 2.534 1.00 0.00 O ATOM 479 CB ALA A 54 71.251 6.559 1.827 1.00 0.00 C ATOM 0 H ALA A 54 69.754 6.785 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 54 71.193 4.677 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 54 71.945 6.218 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 54 71.807 7.045 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.548 7.269 2.262 1.00 0.00 H new ATOM 485 N PRO A 55 68.809 5.113 3.113 1.00 0.00 N ATOM 486 CA PRO A 55 68.164 4.417 4.226 1.00 0.00 C ATOM 487 C PRO A 55 67.270 3.216 3.814 1.00 0.00 C ATOM 488 O PRO A 55 66.883 2.412 4.646 1.00 0.00 O ATOM 489 CB PRO A 55 67.350 5.521 4.927 1.00 0.00 C ATOM 490 CG PRO A 55 67.139 6.617 3.889 1.00 0.00 C ATOM 491 CD PRO A 55 68.276 6.444 2.891 1.00 0.00 C ATOM 0 HA PRO A 55 68.909 3.946 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.396 5.134 5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.883 5.906 5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 55 66.169 6.517 3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 55 67.165 7.605 4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 55 67.916 6.554 1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 55 69.045 7.202 3.042 1.00 0.00 H new ATOM 499 N ALA A 56 67.007 3.125 2.486 1.00 0.00 N ATOM 500 CA ALA A 56 66.218 2.020 1.925 1.00 0.00 C ATOM 501 C ALA A 56 67.093 0.813 1.602 1.00 0.00 C ATOM 502 O ALA A 56 66.801 -0.315 1.989 1.00 0.00 O ATOM 503 CB ALA A 56 65.549 2.433 0.616 1.00 0.00 C ATOM 0 H ALA A 56 67.331 3.802 1.795 1.00 0.00 H new ATOM 0 HA ALA A 56 65.477 1.765 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 56 64.972 1.596 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.885 3.278 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.312 2.719 -0.108 1.00 0.00 H new ATOM 509 N VAL A 57 68.176 1.099 0.870 1.00 0.00 N ATOM 510 CA VAL A 57 69.184 0.090 0.575 1.00 0.00 C ATOM 511 C VAL A 57 69.773 -0.486 1.866 1.00 0.00 C ATOM 512 O VAL A 57 70.202 -1.635 1.918 1.00 0.00 O ATOM 513 CB VAL A 57 70.256 0.744 -0.307 1.00 0.00 C ATOM 514 CG1 VAL A 57 71.568 -0.048 -0.431 1.00 0.00 C ATOM 515 CG2 VAL A 57 69.666 0.977 -1.686 1.00 0.00 C ATOM 0 H VAL A 57 68.371 2.019 0.475 1.00 0.00 H new ATOM 0 HA VAL A 57 68.741 -0.751 0.042 1.00 0.00 H new ATOM 0 HB VAL A 57 70.533 1.677 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.261 0.495 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.011 -0.174 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 57 71.363 -1.027 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 57 70.414 1.442 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 69.360 0.024 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 57 68.799 1.633 -1.605 1.00 0.00 H new ATOM 525 N ILE A 58 69.743 0.376 2.892 1.00 0.00 N ATOM 526 CA ILE A 58 70.233 -0.025 4.192 1.00 0.00 C ATOM 527 C ILE A 58 69.182 -0.864 4.898 1.00 0.00 C ATOM 528 O ILE A 58 69.537 -1.741 5.681 1.00 0.00 O ATOM 529 CB ILE A 58 70.605 1.222 4.987 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.779 1.946 4.305 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.966 0.879 6.430 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.928 3.388 4.794 1.00 0.00 C ATOM 0 H ILE A 58 69.391 1.332 2.838 1.00 0.00 H new ATOM 0 HA ILE A 58 71.127 -0.641 4.093 1.00 0.00 H new ATOM 0 HB ILE A 58 69.736 1.880 5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.703 1.401 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 58 71.628 1.943 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 58 71.226 1.791 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 58 70.114 0.403 6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.817 0.198 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.769 3.860 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 58 71.015 3.942 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.106 3.391 5.869 1.00 0.00 H new ATOM 544 N ARG A 59 67.904 -0.616 4.604 1.00 0.00 N ATOM 545 CA ARG A 59 66.855 -1.454 5.173 1.00 0.00 C ATOM 546 C ARG A 59 66.992 -2.914 4.698 1.00 0.00 C ATOM 547 O ARG A 59 66.766 -3.856 5.451 1.00 0.00 O ATOM 548 CB ARG A 59 65.506 -0.884 4.742 1.00 0.00 C ATOM 549 CG ARG A 59 64.316 -1.650 5.307 1.00 0.00 C ATOM 550 CD ARG A 59 63.076 -1.448 4.447 1.00 0.00 C ATOM 551 NE ARG A 59 61.964 -2.092 5.121 1.00 0.00 N ATOM 552 CZ ARG A 59 60.736 -1.561 5.014 1.00 0.00 C ATOM 553 NH1 ARG A 59 59.952 -1.949 4.018 1.00 0.00 N ATOM 554 NH2 ARG A 59 60.319 -0.658 5.897 1.00 0.00 N ATOM 0 H ARG A 59 67.580 0.135 3.994 1.00 0.00 H new ATOM 0 HA ARG A 59 66.939 -1.455 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.442 0.157 5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.449 -0.890 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.556 -2.712 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.115 -1.316 6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.876 -0.386 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.223 -1.877 3.456 1.00 0.00 H new ATOM 0 HE ARG A 59 62.114 -2.939 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 59 60.285 -2.641 3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.016 -1.555 3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 59 60.933 -0.367 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.385 -0.256 5.813 1.00 0.00 H new ATOM 568 N LYS A 60 67.374 -3.029 3.413 1.00 0.00 N ATOM 569 CA LYS A 60 67.540 -4.331 2.796 1.00 0.00 C ATOM 570 C LYS A 60 68.769 -5.041 3.370 1.00 0.00 C ATOM 571 O LYS A 60 68.707 -6.192 3.795 1.00 0.00 O ATOM 572 CB LYS A 60 67.692 -4.128 1.286 1.00 0.00 C ATOM 573 CG LYS A 60 67.300 -5.391 0.509 1.00 0.00 C ATOM 574 CD LYS A 60 66.031 -5.187 -0.328 1.00 0.00 C ATOM 575 CE LYS A 60 66.368 -4.838 -1.779 1.00 0.00 C ATOM 576 NZ LYS A 60 66.836 -3.464 -1.889 1.00 0.00 N ATOM 0 H LYS A 60 67.568 -2.238 2.799 1.00 0.00 H new ATOM 0 HA LYS A 60 66.671 -4.956 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.069 -3.293 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 60 68.724 -3.863 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 60 68.122 -5.682 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 60 67.143 -6.212 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 60 65.426 -6.094 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 60 65.430 -4.390 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 60 67.134 -5.518 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 60 65.486 -4.977 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 67.090 -3.262 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 66.082 -2.815 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 67.671 -3.332 -1.283 1.00 0.00 H new ATOM 590 N ALA A 61 69.863 -4.256 3.360 1.00 0.00 N ATOM 591 CA ALA A 61 71.172 -4.686 3.827 1.00 0.00 C ATOM 592 C ALA A 61 71.173 -5.086 5.312 1.00 0.00 C ATOM 593 O ALA A 61 71.862 -6.006 5.729 1.00 0.00 O ATOM 594 CB ALA A 61 72.189 -3.578 3.540 1.00 0.00 C ATOM 0 H ALA A 61 69.850 -3.294 3.021 1.00 0.00 H new ATOM 0 HA ALA A 61 71.451 -5.589 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.174 -3.890 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.225 -3.386 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 61 71.892 -2.668 4.062 1.00 0.00 H new ATOM 600 N MET A 62 70.344 -4.340 6.062 1.00 0.00 N ATOM 601 CA MET A 62 70.225 -4.510 7.501 1.00 0.00 C ATOM 602 C MET A 62 69.420 -5.748 7.851 1.00 0.00 C ATOM 603 O MET A 62 69.878 -6.592 8.605 1.00 0.00 O ATOM 604 CB MET A 62 69.533 -3.294 8.107 1.00 0.00 C ATOM 605 CG MET A 62 70.542 -2.173 8.338 1.00 0.00 C ATOM 606 SD MET A 62 69.809 -0.815 9.247 1.00 0.00 S ATOM 607 CE MET A 62 69.784 -1.592 10.862 1.00 0.00 C ATOM 0 H MET A 62 69.745 -3.608 5.680 1.00 0.00 H new ATOM 0 HA MET A 62 71.232 -4.620 7.904 1.00 0.00 H new ATOM 0 HB2 MET A 62 68.741 -2.949 7.443 1.00 0.00 H new ATOM 0 HB3 MET A 62 69.061 -3.568 9.050 1.00 0.00 H new ATOM 0 HG2 MET A 62 71.400 -2.560 8.888 1.00 0.00 H new ATOM 0 HG3 MET A 62 70.914 -1.813 7.379 1.00 0.00 H new ATOM 0 HE1 MET A 62 69.406 -0.885 11.600 1.00 0.00 H new ATOM 0 HE2 MET A 62 69.136 -2.468 10.834 1.00 0.00 H new ATOM 0 HE3 MET A 62 70.794 -1.896 11.135 1.00 0.00 H new ATOM 617 N ASP A 63 68.208 -5.805 7.262 1.00 0.00 N ATOM 618 CA ASP A 63 67.331 -6.967 7.410 1.00 0.00 C ATOM 619 C ASP A 63 68.075 -8.284 7.110 1.00 0.00 C ATOM 620 O ASP A 63 67.821 -9.327 7.715 1.00 0.00 O ATOM 621 CB ASP A 63 66.139 -6.792 6.450 1.00 0.00 C ATOM 622 CG ASP A 63 65.049 -7.869 6.632 1.00 0.00 C ATOM 623 OD1 ASP A 63 64.930 -8.428 7.724 1.00 0.00 O ATOM 624 OD2 ASP A 63 64.326 -8.138 5.674 1.00 0.00 O ATOM 0 H ASP A 63 67.822 -5.059 6.683 1.00 0.00 H new ATOM 0 HA ASP A 63 66.985 -7.027 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.697 -5.808 6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.501 -6.821 5.422 1.00 0.00 H new ATOM 629 N LYS A 64 69.014 -8.146 6.163 1.00 0.00 N ATOM 630 CA LYS A 64 69.877 -9.230 5.736 1.00 0.00 C ATOM 631 C LYS A 64 70.850 -9.666 6.839 1.00 0.00 C ATOM 632 O LYS A 64 71.057 -10.847 7.082 1.00 0.00 O ATOM 633 CB LYS A 64 70.632 -8.736 4.499 1.00 0.00 C ATOM 634 CG LYS A 64 70.290 -9.574 3.273 1.00 0.00 C ATOM 635 CD LYS A 64 71.256 -10.749 3.150 1.00 0.00 C ATOM 636 CE LYS A 64 71.157 -11.389 1.771 1.00 0.00 C ATOM 637 NZ LYS A 64 70.057 -12.339 1.754 1.00 0.00 N ATOM 0 H LYS A 64 69.188 -7.268 5.675 1.00 0.00 H new ATOM 0 HA LYS A 64 69.280 -10.112 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.382 -7.692 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.705 -8.779 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 64 69.267 -9.942 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.341 -8.957 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 64 72.276 -10.407 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 64 71.033 -11.491 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 64 71.000 -10.622 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 64 72.091 -11.894 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 69.990 -12.776 0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 70.225 -13.077 2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 69.168 -11.845 1.971 1.00 0.00 H new ATOM 651 N HIS A 65 71.423 -8.629 7.474 1.00 0.00 N ATOM 652 CA HIS A 65 72.397 -8.837 8.533 1.00 0.00 C ATOM 653 C HIS A 65 71.775 -8.903 9.931 1.00 0.00 C ATOM 654 O HIS A 65 72.506 -8.938 10.918 1.00 0.00 O ATOM 655 CB HIS A 65 73.371 -7.673 8.516 1.00 0.00 C ATOM 656 CG HIS A 65 74.371 -7.854 7.414 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.459 -7.083 6.344 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.449 -8.784 7.378 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.531 -7.476 5.666 1.00 0.00 C ATOM 660 NE2 HIS A 65 76.142 -8.527 6.253 1.00 0.00 N ATOM 0 H HIS A 65 71.224 -7.650 7.267 1.00 0.00 H new ATOM 0 HA HIS A 65 72.878 -9.796 8.341 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.829 -6.738 8.376 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.884 -7.604 9.475 1.00 0.00 H new ATOM 0 HD1 HIS A 65 73.823 -6.328 6.087 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.668 -9.547 8.111 1.00 0.00 H new ATOM 0 HE1 HIS A 65 75.873 -7.010 4.754 1.00 0.00 H new ATOM 668 N ASN A 66 70.425 -8.921 9.996 1.00 0.00 N ATOM 669 CA ASN A 66 69.759 -9.055 11.292 1.00 0.00 C ATOM 670 C ASN A 66 70.071 -7.868 12.235 1.00 0.00 C ATOM 671 O ASN A 66 70.171 -8.021 13.445 1.00 0.00 O ATOM 672 CB ASN A 66 70.148 -10.414 11.935 1.00 0.00 C ATOM 673 CG ASN A 66 69.092 -11.519 11.789 1.00 0.00 C ATOM 674 OD1 ASN A 66 68.336 -11.430 10.673 1.00 0.00 O flip ATOM 675 ND2 ASN A 66 68.979 -12.389 12.629 1.00 0.00 N flip ATOM 0 H ASN A 66 69.802 -8.847 9.192 1.00 0.00 H new ATOM 0 HA ASN A 66 68.682 -9.035 11.129 1.00 0.00 H new ATOM 0 HB2 ASN A 66 71.080 -10.759 11.487 1.00 0.00 H new ATOM 0 HB3 ASN A 66 70.344 -10.256 12.995 1.00 0.00 H new ATOM 0 HD21 ASN A 66 69.588 -12.390 13.447 1.00 0.00 H new ATOM 0 HD22 ASN A 66 68.275 -13.119 12.516 1.00 0.00 H new ATOM 682 N LEU A 67 70.212 -6.682 11.607 1.00 0.00 N ATOM 683 CA LEU A 67 70.578 -5.479 12.349 1.00 0.00 C ATOM 684 C LEU A 67 69.355 -4.726 12.899 1.00 0.00 C ATOM 685 O LEU A 67 69.368 -3.511 13.068 1.00 0.00 O ATOM 686 CB LEU A 67 71.374 -4.571 11.412 1.00 0.00 C ATOM 687 CG LEU A 67 72.879 -4.798 11.452 1.00 0.00 C ATOM 688 CD1 LEU A 67 73.526 -3.824 10.455 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.408 -4.606 12.884 1.00 0.00 C ATOM 0 H LEU A 67 70.079 -6.542 10.605 1.00 0.00 H new ATOM 0 HA LEU A 67 71.173 -5.773 13.214 1.00 0.00 H new ATOM 0 HB2 LEU A 67 71.022 -4.723 10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.168 -3.532 11.669 1.00 0.00 H new ATOM 0 HG LEU A 67 73.130 -5.819 11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 67 74.607 -3.963 10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.140 -4.018 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 67 73.290 -2.799 10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.485 -4.771 12.899 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.192 -3.592 13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 67 72.922 -5.319 13.550 1.00 0.00 H new ATOM 701 N GLU A 68 68.317 -5.520 13.201 1.00 0.00 N ATOM 702 CA GLU A 68 67.060 -5.002 13.720 1.00 0.00 C ATOM 703 C GLU A 68 67.202 -4.238 15.034 1.00 0.00 C ATOM 704 O GLU A 68 66.343 -3.430 15.380 1.00 0.00 O ATOM 705 CB GLU A 68 66.129 -6.197 13.924 1.00 0.00 C ATOM 706 CG GLU A 68 65.897 -6.991 12.631 1.00 0.00 C ATOM 707 CD GLU A 68 65.477 -6.067 11.469 1.00 0.00 C ATOM 708 OE1 GLU A 68 64.283 -5.827 11.307 1.00 0.00 O ATOM 709 OE2 GLU A 68 66.354 -5.590 10.745 1.00 0.00 O ATOM 0 H GLU A 68 68.333 -6.534 13.090 1.00 0.00 H new ATOM 0 HA GLU A 68 66.668 -4.283 13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 68 66.552 -6.858 14.681 1.00 0.00 H new ATOM 0 HB3 GLU A 68 65.171 -5.845 14.307 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.808 -7.525 12.362 1.00 0.00 H new ATOM 0 HG3 GLU A 68 65.125 -7.742 12.797 1.00 0.00 H new ATOM 716 N GLU A 69 68.337 -4.512 15.709 1.00 0.00 N ATOM 717 CA GLU A 69 68.747 -3.814 16.922 1.00 0.00 C ATOM 718 C GLU A 69 68.496 -2.294 16.853 1.00 0.00 C ATOM 719 O GLU A 69 68.157 -1.659 17.859 1.00 0.00 O ATOM 720 CB GLU A 69 70.238 -4.114 17.166 1.00 0.00 C ATOM 721 CG GLU A 69 71.196 -3.507 16.113 1.00 0.00 C ATOM 722 CD GLU A 69 72.685 -3.639 16.481 1.00 0.00 C ATOM 723 OE1 GLU A 69 73.006 -4.237 17.508 1.00 0.00 O ATOM 724 OE2 GLU A 69 73.516 -3.123 15.735 1.00 0.00 O ATOM 0 H GLU A 69 68.995 -5.234 15.415 1.00 0.00 H new ATOM 0 HA GLU A 69 68.141 -4.175 17.753 1.00 0.00 H new ATOM 0 HB2 GLU A 69 70.515 -3.737 18.151 1.00 0.00 H new ATOM 0 HB3 GLU A 69 70.379 -5.195 17.187 1.00 0.00 H new ATOM 0 HG2 GLU A 69 71.023 -3.995 15.154 1.00 0.00 H new ATOM 0 HG3 GLU A 69 70.956 -2.452 15.982 1.00 0.00 H new ATOM 731 N GLU A 70 68.682 -1.760 15.632 1.00 0.00 N ATOM 732 CA GLU A 70 68.568 -0.337 15.368 1.00 0.00 C ATOM 733 C GLU A 70 67.819 -0.155 14.047 1.00 0.00 C ATOM 734 O GLU A 70 67.495 -1.107 13.341 1.00 0.00 O ATOM 735 CB GLU A 70 69.985 0.250 15.295 1.00 0.00 C ATOM 736 CG GLU A 70 70.740 0.147 16.639 1.00 0.00 C ATOM 737 CD GLU A 70 72.267 0.058 16.499 1.00 0.00 C ATOM 738 OE1 GLU A 70 72.762 -0.221 15.409 1.00 0.00 O ATOM 739 OE2 GLU A 70 72.950 0.242 17.503 1.00 0.00 O ATOM 0 H GLU A 70 68.915 -2.314 14.808 1.00 0.00 H new ATOM 0 HA GLU A 70 68.017 0.179 16.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.551 -0.272 14.523 1.00 0.00 H new ATOM 0 HB3 GLU A 70 69.926 1.296 14.995 1.00 0.00 H new ATOM 0 HG2 GLU A 70 70.493 1.016 17.249 1.00 0.00 H new ATOM 0 HG3 GLU A 70 70.384 -0.732 17.176 1.00 0.00 H new ATOM 746 N GLU A 71 67.563 1.135 13.781 1.00 0.00 N ATOM 747 CA GLU A 71 66.837 1.585 12.611 1.00 0.00 C ATOM 748 C GLU A 71 67.811 1.801 11.438 1.00 0.00 C ATOM 749 O GLU A 71 69.020 1.749 11.627 1.00 0.00 O ATOM 750 CB GLU A 71 66.170 2.892 13.046 1.00 0.00 C ATOM 751 CG GLU A 71 64.801 2.665 13.702 1.00 0.00 C ATOM 752 CD GLU A 71 64.858 2.890 15.223 1.00 0.00 C ATOM 753 OE1 GLU A 71 65.708 2.291 15.880 1.00 0.00 O ATOM 754 OE2 GLU A 71 64.051 3.667 15.732 1.00 0.00 O ATOM 0 H GLU A 71 67.864 1.896 14.389 1.00 0.00 H new ATOM 0 HA GLU A 71 66.099 0.862 12.262 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.823 3.413 13.746 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.050 3.541 12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.069 3.341 13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 71 64.462 1.650 13.496 1.00 0.00 H new ATOM 761 N PRO A 72 67.246 2.043 10.216 1.00 0.00 N ATOM 762 CA PRO A 72 68.077 2.268 9.025 1.00 0.00 C ATOM 763 C PRO A 72 68.751 3.638 8.999 1.00 0.00 C ATOM 764 O PRO A 72 69.907 3.786 8.605 1.00 0.00 O ATOM 765 CB PRO A 72 67.072 2.226 7.864 1.00 0.00 C ATOM 766 CG PRO A 72 65.717 2.569 8.486 1.00 0.00 C ATOM 767 CD PRO A 72 65.807 2.065 9.924 1.00 0.00 C ATOM 0 HA PRO A 72 68.878 1.530 8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 72 67.340 2.942 7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 72 67.052 1.241 7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.528 3.642 8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 72 64.901 2.086 7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.273 2.723 10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 72 65.366 1.073 10.025 1.00 0.00 H new ATOM 775 N GLU A 73 67.959 4.602 9.484 1.00 0.00 N ATOM 776 CA GLU A 73 68.363 5.994 9.655 1.00 0.00 C ATOM 777 C GLU A 73 69.674 6.139 10.450 1.00 0.00 C ATOM 778 O GLU A 73 70.389 7.134 10.306 1.00 0.00 O ATOM 779 CB GLU A 73 67.238 6.729 10.396 1.00 0.00 C ATOM 780 CG GLU A 73 66.707 5.914 11.588 1.00 0.00 C ATOM 781 CD GLU A 73 66.226 6.783 12.756 1.00 0.00 C ATOM 782 OE1 GLU A 73 65.363 7.632 12.543 1.00 0.00 O ATOM 783 OE2 GLU A 73 66.719 6.597 13.869 1.00 0.00 O ATOM 0 H GLU A 73 66.997 4.427 9.774 1.00 0.00 H new ATOM 0 HA GLU A 73 68.541 6.420 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 73 67.605 7.692 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 73 66.421 6.934 9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 73 65.883 5.285 11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 73 67.493 5.247 11.941 1.00 0.00 H new ATOM 790 N ASP A 74 69.951 5.111 11.280 1.00 0.00 N ATOM 791 CA ASP A 74 71.133 5.114 12.128 1.00 0.00 C ATOM 792 C ASP A 74 72.323 4.441 11.433 1.00 0.00 C ATOM 793 O ASP A 74 73.165 3.851 12.093 1.00 0.00 O ATOM 794 CB ASP A 74 70.797 4.360 13.434 1.00 0.00 C ATOM 795 CG ASP A 74 71.585 4.878 14.659 1.00 0.00 C ATOM 796 OD1 ASP A 74 72.159 5.967 14.601 1.00 0.00 O ATOM 797 OD2 ASP A 74 71.610 4.179 15.671 1.00 0.00 O ATOM 0 H ASP A 74 69.368 4.279 11.371 1.00 0.00 H new ATOM 0 HA ASP A 74 71.415 6.145 12.340 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.729 4.450 13.633 1.00 0.00 H new ATOM 0 HB3 ASP A 74 71.007 3.299 13.297 1.00 0.00 H new ATOM 802 N TYR A 75 72.346 4.535 10.089 1.00 0.00 N ATOM 803 CA TYR A 75 73.371 3.854 9.310 1.00 0.00 C ATOM 804 C TYR A 75 73.635 4.674 8.027 1.00 0.00 C ATOM 805 O TYR A 75 72.716 5.159 7.382 1.00 0.00 O ATOM 806 CB TYR A 75 72.887 2.438 8.957 1.00 0.00 C ATOM 807 CG TYR A 75 73.162 1.391 10.006 1.00 0.00 C ATOM 808 CD1 TYR A 75 74.353 0.681 9.987 1.00 0.00 C ATOM 809 CD2 TYR A 75 72.244 1.120 11.010 1.00 0.00 C ATOM 810 CE1 TYR A 75 74.658 -0.232 10.981 1.00 0.00 C ATOM 811 CE2 TYR A 75 72.529 0.189 12.000 1.00 0.00 C ATOM 812 CZ TYR A 75 73.750 -0.483 11.993 1.00 0.00 C ATOM 813 OH TYR A 75 74.090 -1.388 12.978 1.00 0.00 O ATOM 0 H TYR A 75 71.674 5.069 9.538 1.00 0.00 H new ATOM 0 HA TYR A 75 74.295 3.770 9.882 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.813 2.473 8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.361 2.130 8.025 1.00 0.00 H new ATOM 0 HD1 TYR A 75 75.055 0.843 9.182 1.00 0.00 H new ATOM 0 HD2 TYR A 75 71.297 1.639 11.022 1.00 0.00 H new ATOM 0 HE1 TYR A 75 75.606 -0.749 10.966 1.00 0.00 H new ATOM 0 HE2 TYR A 75 71.805 -0.014 12.775 1.00 0.00 H new ATOM 0 HH TYR A 75 73.715 -1.095 13.835 1.00 0.00 H new ATOM 823 N GLU A 76 74.947 4.790 7.720 1.00 0.00 N ATOM 824 CA GLU A 76 75.479 5.533 6.588 1.00 0.00 C ATOM 825 C GLU A 76 75.936 4.553 5.501 1.00 0.00 C ATOM 826 O GLU A 76 76.341 3.433 5.787 1.00 0.00 O ATOM 827 CB GLU A 76 76.646 6.413 7.066 1.00 0.00 C ATOM 828 CG GLU A 76 77.852 5.636 7.639 1.00 0.00 C ATOM 829 CD GLU A 76 77.871 5.649 9.181 1.00 0.00 C ATOM 830 OE1 GLU A 76 76.816 5.497 9.787 1.00 0.00 O ATOM 831 OE2 GLU A 76 78.944 5.811 9.763 1.00 0.00 O ATOM 0 H GLU A 76 75.676 4.349 8.280 1.00 0.00 H new ATOM 0 HA GLU A 76 74.708 6.177 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 76 76.989 7.023 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 76 76.277 7.098 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 76 77.819 4.605 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.777 6.073 7.262 1.00 0.00 H new ATOM 838 N LEU A 77 75.833 5.048 4.243 1.00 0.00 N ATOM 839 CA LEU A 77 76.162 4.193 3.111 1.00 0.00 C ATOM 840 C LEU A 77 77.432 4.694 2.447 1.00 0.00 C ATOM 841 O LEU A 77 77.602 5.889 2.250 1.00 0.00 O ATOM 842 CB LEU A 77 75.025 4.311 2.110 1.00 0.00 C ATOM 843 CG LEU A 77 74.973 3.168 1.094 1.00 0.00 C ATOM 844 CD1 LEU A 77 74.940 1.809 1.803 1.00 0.00 C ATOM 845 CD2 LEU A 77 73.750 3.355 0.193 1.00 0.00 C ATOM 0 H LEU A 77 75.537 5.995 4.007 1.00 0.00 H new ATOM 0 HA LEU A 77 76.304 3.164 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.080 4.346 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.121 5.256 1.575 1.00 0.00 H new ATOM 0 HG LEU A 77 75.873 3.188 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 77 74.903 1.012 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 75.836 1.695 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 77 74.057 1.752 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 73.706 2.544 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 77 72.845 3.347 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 77 73.826 4.308 -0.331 1.00 0.00 H new ATOM 857 N LEU A 78 78.302 3.725 2.121 1.00 0.00 N ATOM 858 CA LEU A 78 79.588 4.047 1.545 1.00 0.00 C ATOM 859 C LEU A 78 79.758 3.142 0.341 1.00 0.00 C ATOM 860 O LEU A 78 79.295 2.006 0.352 1.00 0.00 O ATOM 861 CB LEU A 78 80.718 3.839 2.578 1.00 0.00 C ATOM 862 CG LEU A 78 80.483 4.425 3.989 1.00 0.00 C ATOM 863 CD1 LEU A 78 79.949 5.852 3.977 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.602 3.540 4.868 1.00 0.00 C ATOM 0 H LEU A 78 78.128 2.728 2.250 1.00 0.00 H new ATOM 0 HA LEU A 78 79.639 5.094 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.894 2.768 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.632 4.276 2.176 1.00 0.00 H new ATOM 0 HG LEU A 78 81.478 4.453 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 78 79.809 6.197 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 78 80.661 6.503 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 78 78.995 5.879 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.476 4.008 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.627 3.415 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 78 80.073 2.565 4.991 1.00 0.00 H new ATOM 876 N GLN A 79 80.410 3.680 -0.696 1.00 0.00 N ATOM 877 CA GLN A 79 80.751 2.861 -1.845 1.00 0.00 C ATOM 878 C GLN A 79 82.258 2.608 -1.778 1.00 0.00 C ATOM 879 O GLN A 79 83.007 3.452 -1.306 1.00 0.00 O ATOM 880 CB GLN A 79 80.340 3.613 -3.106 1.00 0.00 C ATOM 881 CG GLN A 79 80.202 2.676 -4.320 1.00 0.00 C ATOM 882 CD GLN A 79 80.935 3.225 -5.531 1.00 0.00 C ATOM 883 OE1 GLN A 79 81.321 4.371 -5.556 1.00 0.00 O ATOM 884 NE2 GLN A 79 81.091 2.330 -6.528 1.00 0.00 N ATOM 0 H GLN A 79 80.702 4.655 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 79 80.234 1.902 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.392 4.122 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 79 81.079 4.383 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 79 80.598 1.692 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.147 2.543 -4.561 1.00 0.00 H new ATOM 0 HE21 GLN A 79 80.733 1.381 -6.422 1.00 0.00 H new ATOM 0 HE22 GLN A 79 81.567 2.602 -7.388 1.00 0.00 H new ATOM 893 N ILE A 80 82.676 1.426 -2.237 1.00 0.00 N ATOM 894 CA ILE A 80 84.091 1.080 -2.252 1.00 0.00 C ATOM 895 C ILE A 80 84.558 1.240 -3.680 1.00 0.00 C ATOM 896 O ILE A 80 83.884 0.787 -4.604 1.00 0.00 O ATOM 897 CB ILE A 80 84.240 -0.369 -1.793 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.017 -0.484 -0.283 1.00 0.00 C ATOM 899 CG2 ILE A 80 85.559 -1.041 -2.223 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.007 -1.574 0.044 1.00 0.00 C ATOM 0 H ILE A 80 82.057 0.701 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 80 84.681 1.713 -1.589 1.00 0.00 H new ATOM 0 HB ILE A 80 83.460 -0.927 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 80 84.964 -0.702 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.665 0.470 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 80 85.581 -2.067 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 80 85.628 -1.044 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.401 -0.488 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 80 82.870 -1.631 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.054 -1.341 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 80 83.372 -2.532 -0.327 1.00 0.00 H new ATOM 912 N LEU A 81 85.721 1.935 -3.769 1.00 0.00 N ATOM 913 CA LEU A 81 86.332 2.336 -5.033 1.00 0.00 C ATOM 914 C LEU A 81 87.697 1.657 -5.196 1.00 0.00 C ATOM 915 O LEU A 81 87.827 0.685 -5.933 1.00 0.00 O ATOM 916 CB LEU A 81 86.410 3.874 -5.138 1.00 0.00 C ATOM 917 CG LEU A 81 85.344 4.579 -4.300 1.00 0.00 C ATOM 918 CD1 LEU A 81 85.487 6.088 -4.395 1.00 0.00 C ATOM 919 CD2 LEU A 81 83.933 4.177 -4.730 1.00 0.00 C ATOM 0 H LEU A 81 86.254 2.228 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 81 85.707 2.002 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.397 4.206 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.299 4.169 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 81 85.496 4.267 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.716 6.565 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.470 6.384 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 81 85.377 6.399 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 81 83.202 4.698 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 81 83.781 4.445 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.809 3.101 -4.610 1.00 0.00 H new ATOM 931 N SER A 82 88.694 2.219 -4.475 1.00 0.00 N ATOM 932 CA SER A 82 90.047 1.673 -4.468 1.00 0.00 C ATOM 933 C SER A 82 90.198 0.888 -3.163 1.00 0.00 C ATOM 934 O SER A 82 89.285 0.843 -2.344 1.00 0.00 O ATOM 935 CB SER A 82 91.088 2.805 -4.653 1.00 0.00 C ATOM 936 OG SER A 82 91.951 3.044 -3.555 1.00 0.00 O ATOM 0 H SER A 82 88.575 3.049 -3.895 1.00 0.00 H new ATOM 0 HA SER A 82 90.226 0.995 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 82 91.699 2.570 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 82 90.554 3.729 -4.877 1.00 0.00 H new ATOM 0 HG SER A 82 92.567 3.773 -3.776 1.00 0.00 H new ATOM 942 N ASP A 83 91.401 0.287 -3.037 1.00 0.00 N ATOM 943 CA ASP A 83 91.824 -0.499 -1.876 1.00 0.00 C ATOM 944 C ASP A 83 91.248 0.043 -0.547 1.00 0.00 C ATOM 945 O ASP A 83 90.458 -0.619 0.116 1.00 0.00 O ATOM 946 CB ASP A 83 93.364 -0.561 -1.822 1.00 0.00 C ATOM 947 CG ASP A 83 93.960 -0.955 -3.189 1.00 0.00 C ATOM 948 OD1 ASP A 83 93.757 -2.091 -3.617 1.00 0.00 O ATOM 949 OD2 ASP A 83 94.614 -0.118 -3.812 1.00 0.00 O ATOM 0 H ASP A 83 92.116 0.341 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 83 91.423 -1.505 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 83 93.758 0.409 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 83 93.674 -1.283 -1.066 1.00 0.00 H new ATOM 954 N ASP A 84 91.672 1.289 -0.235 1.00 0.00 N ATOM 955 CA ASP A 84 91.249 1.965 0.994 1.00 0.00 C ATOM 956 C ASP A 84 90.496 3.278 0.719 1.00 0.00 C ATOM 957 O ASP A 84 90.331 4.104 1.610 1.00 0.00 O ATOM 958 CB ASP A 84 92.500 2.238 1.847 1.00 0.00 C ATOM 959 CG ASP A 84 92.985 0.976 2.587 1.00 0.00 C ATOM 960 OD1 ASP A 84 92.162 0.135 2.949 1.00 0.00 O ATOM 961 OD2 ASP A 84 94.189 0.850 2.803 1.00 0.00 O ATOM 0 H ASP A 84 92.303 1.837 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 84 90.551 1.316 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 84 93.299 2.612 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.279 3.021 2.573 1.00 0.00 H new ATOM 966 N ARG A 85 90.036 3.417 -0.535 1.00 0.00 N ATOM 967 CA ARG A 85 89.269 4.589 -0.926 1.00 0.00 C ATOM 968 C ARG A 85 87.783 4.224 -0.923 1.00 0.00 C ATOM 969 O ARG A 85 87.344 3.347 -1.658 1.00 0.00 O ATOM 970 CB ARG A 85 89.739 4.969 -2.322 1.00 0.00 C ATOM 971 CG ARG A 85 88.799 5.902 -3.096 1.00 0.00 C ATOM 972 CD ARG A 85 89.310 6.227 -4.509 1.00 0.00 C ATOM 973 NE ARG A 85 90.690 6.673 -4.374 1.00 0.00 N ATOM 974 CZ ARG A 85 90.924 7.994 -4.316 1.00 0.00 C ATOM 975 NH1 ARG A 85 90.587 8.769 -5.345 1.00 0.00 N ATOM 976 NH2 ARG A 85 91.473 8.521 -3.228 1.00 0.00 N ATOM 0 H ARG A 85 90.184 2.736 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 85 89.411 5.427 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.715 5.448 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.878 4.057 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.815 5.440 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 85 88.675 6.830 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 85 89.250 5.349 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 85 88.698 7.002 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 85 91.456 6.002 -4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 85 90.153 8.359 -6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 85 90.762 9.773 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 85 91.716 7.923 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 85 91.652 9.524 -3.182 1.00 0.00 H new ATOM 990 N LYS A 86 87.055 4.972 -0.073 1.00 0.00 N ATOM 991 CA LYS A 86 85.615 4.809 0.060 1.00 0.00 C ATOM 992 C LYS A 86 84.938 6.182 -0.065 1.00 0.00 C ATOM 993 O LYS A 86 85.447 7.197 0.395 1.00 0.00 O ATOM 994 CB LYS A 86 85.344 4.177 1.426 1.00 0.00 C ATOM 995 CG LYS A 86 85.425 2.648 1.375 1.00 0.00 C ATOM 996 CD LYS A 86 85.422 2.049 2.781 1.00 0.00 C ATOM 997 CE LYS A 86 86.802 2.133 3.442 1.00 0.00 C ATOM 998 NZ LYS A 86 86.678 2.208 4.889 1.00 0.00 N ATOM 0 H LYS A 86 87.452 5.694 0.529 1.00 0.00 H new ATOM 0 HA LYS A 86 85.212 4.166 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 86 86.066 4.555 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 86 84.356 4.477 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 86 84.582 2.255 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 86 86.331 2.346 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 86 84.692 2.574 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 86 85.107 1.007 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 86 87.395 1.260 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 86 87.335 3.009 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 87.625 2.264 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 86.131 3.054 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 86.190 1.360 5.240 1.00 0.00 H new ATOM 1012 N LEU A 87 83.759 6.131 -0.717 1.00 0.00 N ATOM 1013 CA LEU A 87 82.899 7.283 -0.944 1.00 0.00 C ATOM 1014 C LEU A 87 81.711 7.203 0.000 1.00 0.00 C ATOM 1015 O LEU A 87 81.419 6.147 0.547 1.00 0.00 O ATOM 1016 CB LEU A 87 82.429 7.266 -2.408 1.00 0.00 C ATOM 1017 CG LEU A 87 83.185 8.303 -3.249 1.00 0.00 C ATOM 1018 CD1 LEU A 87 83.081 7.980 -4.744 1.00 0.00 C ATOM 1019 CD2 LEU A 87 82.687 9.717 -2.967 1.00 0.00 C ATOM 0 H LEU A 87 83.381 5.266 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 87 83.438 8.211 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.581 6.272 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.359 7.470 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 87 84.235 8.255 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 87 83.625 8.730 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 87 83.510 6.996 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 87 82.033 7.983 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 87 83.243 10.427 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 87 81.626 9.784 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 87 82.836 9.952 -1.913 1.00 0.00 H new ATOM 1031 N LYS A 88 81.059 8.373 0.159 1.00 0.00 N ATOM 1032 CA LYS A 88 79.900 8.501 1.033 1.00 0.00 C ATOM 1033 C LYS A 88 78.675 8.906 0.225 1.00 0.00 C ATOM 1034 O LYS A 88 78.759 9.712 -0.695 1.00 0.00 O ATOM 1035 CB LYS A 88 80.213 9.550 2.101 1.00 0.00 C ATOM 1036 CG LYS A 88 79.627 9.217 3.480 1.00 0.00 C ATOM 1037 CD LYS A 88 80.692 9.333 4.573 1.00 0.00 C ATOM 1038 CE LYS A 88 81.365 10.710 4.564 1.00 0.00 C ATOM 1039 NZ LYS A 88 81.592 11.193 5.913 1.00 0.00 N ATOM 0 H LYS A 88 81.325 9.238 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 88 79.684 7.545 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 88 81.294 9.654 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.826 10.515 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.800 9.892 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 88 79.219 8.206 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 88 80.235 9.158 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.446 8.559 4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 88 82.314 10.650 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 88 80.740 11.419 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 82.049 12.127 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.682 11.272 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 82.208 10.527 6.421 1.00 0.00 H new ATOM 1053 N ILE A 89 77.542 8.289 0.626 1.00 0.00 N ATOM 1054 CA ILE A 89 76.287 8.475 -0.085 1.00 0.00 C ATOM 1055 C ILE A 89 75.291 9.202 0.838 1.00 0.00 C ATOM 1056 O ILE A 89 75.155 8.840 2.007 1.00 0.00 O ATOM 1057 CB ILE A 89 75.710 7.122 -0.529 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.834 6.233 -1.087 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.557 7.282 -1.523 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.360 5.048 -1.916 1.00 0.00 C ATOM 0 H ILE A 89 77.484 7.666 1.432 1.00 0.00 H new ATOM 0 HA ILE A 89 76.465 9.074 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 89 75.283 6.630 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.493 6.847 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.430 5.860 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.183 6.299 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.754 7.856 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 89 74.912 7.806 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.222 4.481 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.727 4.406 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 89 75.791 5.408 -2.773 1.00 0.00 H new ATOM 1072 N PRO A 90 74.583 10.213 0.231 1.00 0.00 N ATOM 1073 CA PRO A 90 73.521 10.980 0.902 1.00 0.00 C ATOM 1074 C PRO A 90 72.336 10.063 1.214 1.00 0.00 C ATOM 1075 O PRO A 90 72.329 8.913 0.808 1.00 0.00 O ATOM 1076 CB PRO A 90 73.080 12.015 -0.147 1.00 0.00 C ATOM 1077 CG PRO A 90 73.434 11.344 -1.459 1.00 0.00 C ATOM 1078 CD PRO A 90 74.713 10.589 -1.181 1.00 0.00 C ATOM 0 HA PRO A 90 73.860 11.427 1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.014 12.230 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 90 73.604 12.963 -0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.641 10.670 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 90 73.574 12.078 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.811 9.714 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.592 11.210 -1.353 1.00 0.00 H new ATOM 1086 N GLU A 91 71.359 10.644 1.947 1.00 0.00 N ATOM 1087 CA GLU A 91 70.212 9.894 2.448 1.00 0.00 C ATOM 1088 C GLU A 91 69.116 9.636 1.382 1.00 0.00 C ATOM 1089 O GLU A 91 68.227 8.821 1.612 1.00 0.00 O ATOM 1090 CB GLU A 91 69.630 10.642 3.649 1.00 0.00 C ATOM 1091 CG GLU A 91 68.473 9.881 4.312 1.00 0.00 C ATOM 1092 CD GLU A 91 67.964 10.584 5.574 1.00 0.00 C ATOM 1093 OE1 GLU A 91 67.520 11.728 5.469 1.00 0.00 O ATOM 1094 OE2 GLU A 91 68.007 9.981 6.646 1.00 0.00 O ATOM 0 H GLU A 91 71.353 11.632 2.199 1.00 0.00 H new ATOM 0 HA GLU A 91 70.568 8.906 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 91 70.417 10.811 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.278 11.622 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.654 9.778 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 91 68.802 8.874 4.567 1.00 0.00 H new ATOM 1101 N ASN A 92 69.154 10.329 0.230 1.00 0.00 N ATOM 1102 CA ASN A 92 68.040 10.118 -0.709 1.00 0.00 C ATOM 1103 C ASN A 92 68.473 10.328 -2.158 1.00 0.00 C ATOM 1104 O ASN A 92 67.667 10.673 -3.017 1.00 0.00 O ATOM 1105 CB ASN A 92 66.882 11.072 -0.365 1.00 0.00 C ATOM 1106 CG ASN A 92 65.466 10.564 -0.748 1.00 0.00 C ATOM 1107 OD1 ASN A 92 64.494 10.917 -0.113 1.00 0.00 O ATOM 1108 ND2 ASN A 92 65.403 9.732 -1.814 1.00 0.00 N ATOM 0 H ASN A 92 69.878 10.987 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 92 67.709 9.084 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 92 66.902 11.268 0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 92 67.056 12.024 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 92 64.502 9.366 -2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.256 9.471 -2.308 1.00 0.00 H new ATOM 1115 N ALA A 93 69.770 10.100 -2.402 1.00 0.00 N ATOM 1116 CA ALA A 93 70.189 10.140 -3.792 1.00 0.00 C ATOM 1117 C ALA A 93 70.102 8.719 -4.291 1.00 0.00 C ATOM 1118 O ALA A 93 70.633 7.812 -3.655 1.00 0.00 O ATOM 1119 CB ALA A 93 71.612 10.658 -3.900 1.00 0.00 C ATOM 0 H ALA A 93 70.492 9.901 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 93 69.561 10.808 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 93 71.912 10.682 -4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 93 71.666 11.664 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.282 10.000 -3.346 1.00 0.00 H new ATOM 1125 N ASN A 94 69.413 8.587 -5.447 1.00 0.00 N ATOM 1126 CA ASN A 94 69.324 7.318 -6.159 1.00 0.00 C ATOM 1127 C ASN A 94 70.722 6.710 -6.192 1.00 0.00 C ATOM 1128 O ASN A 94 71.585 7.213 -6.923 1.00 0.00 O ATOM 1129 CB ASN A 94 68.832 7.567 -7.602 1.00 0.00 C ATOM 1130 CG ASN A 94 67.591 8.483 -7.606 1.00 0.00 C ATOM 1131 OD1 ASN A 94 66.670 8.319 -6.832 1.00 0.00 O ATOM 1132 ND2 ASN A 94 67.658 9.495 -8.494 1.00 0.00 N ATOM 0 H ASN A 94 68.913 9.354 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 94 68.624 6.646 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 94 69.629 8.024 -8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 94 68.590 6.617 -8.078 1.00 0.00 H new ATOM 0 HD21 ASN A 94 66.905 10.181 -8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 94 68.462 9.575 -9.117 1.00 0.00 H new ATOM 1139 N VAL A 95 70.936 5.691 -5.342 1.00 0.00 N ATOM 1140 CA VAL A 95 72.214 5.009 -5.198 1.00 0.00 C ATOM 1141 C VAL A 95 72.815 4.760 -6.581 1.00 0.00 C ATOM 1142 O VAL A 95 73.908 5.234 -6.838 1.00 0.00 O ATOM 1143 CB VAL A 95 72.080 3.736 -4.335 1.00 0.00 C ATOM 1144 CG1 VAL A 95 73.354 2.878 -4.310 1.00 0.00 C ATOM 1145 CG2 VAL A 95 71.624 4.060 -2.902 1.00 0.00 C ATOM 0 H VAL A 95 70.209 5.320 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 95 72.913 5.644 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 95 71.306 3.141 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 95 73.189 2.000 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.599 2.561 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 95 74.179 3.463 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.542 3.137 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.353 4.718 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 95 70.653 4.555 -2.932 1.00 0.00 H new ATOM 1155 N PHE A 96 72.042 4.104 -7.474 1.00 0.00 N ATOM 1156 CA PHE A 96 72.460 3.864 -8.868 1.00 0.00 C ATOM 1157 C PHE A 96 73.372 4.987 -9.460 1.00 0.00 C ATOM 1158 O PHE A 96 74.359 4.716 -10.149 1.00 0.00 O ATOM 1159 CB PHE A 96 71.189 3.656 -9.727 1.00 0.00 C ATOM 1160 CG PHE A 96 71.472 2.951 -11.023 1.00 0.00 C ATOM 1161 CD1 PHE A 96 72.245 3.553 -12.022 1.00 0.00 C ATOM 1162 CD2 PHE A 96 70.981 1.665 -11.264 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.552 2.890 -13.187 1.00 0.00 C ATOM 1164 CE2 PHE A 96 71.267 1.006 -12.441 1.00 0.00 C ATOM 1165 CZ PHE A 96 72.065 1.607 -13.412 1.00 0.00 C ATOM 0 H PHE A 96 71.120 3.730 -7.250 1.00 0.00 H new ATOM 0 HA PHE A 96 73.084 2.970 -8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.461 3.080 -9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.735 4.625 -9.937 1.00 0.00 H new ATOM 0 HD1 PHE A 96 72.608 4.559 -11.875 1.00 0.00 H new ATOM 0 HD2 PHE A 96 70.369 1.180 -10.518 1.00 0.00 H new ATOM 0 HE1 PHE A 96 73.174 3.367 -13.930 1.00 0.00 H new ATOM 0 HE2 PHE A 96 70.869 0.016 -12.611 1.00 0.00 H new ATOM 0 HZ PHE A 96 72.302 1.084 -14.327 1.00 0.00 H new ATOM 1175 N TYR A 97 72.995 6.235 -9.128 1.00 0.00 N ATOM 1176 CA TYR A 97 73.673 7.460 -9.543 1.00 0.00 C ATOM 1177 C TYR A 97 74.792 7.931 -8.588 1.00 0.00 C ATOM 1178 O TYR A 97 75.888 8.242 -9.035 1.00 0.00 O ATOM 1179 CB TYR A 97 72.606 8.548 -9.710 1.00 0.00 C ATOM 1180 CG TYR A 97 72.081 8.505 -11.112 1.00 0.00 C ATOM 1181 CD1 TYR A 97 72.758 9.200 -12.108 1.00 0.00 C ATOM 1182 CD2 TYR A 97 70.950 7.766 -11.439 1.00 0.00 C ATOM 1183 CE1 TYR A 97 72.311 9.158 -13.418 1.00 0.00 C ATOM 1184 CE2 TYR A 97 70.501 7.722 -12.753 1.00 0.00 C ATOM 1185 CZ TYR A 97 71.186 8.419 -13.744 1.00 0.00 C ATOM 1186 OH TYR A 97 70.759 8.384 -15.056 1.00 0.00 O ATOM 0 H TYR A 97 72.180 6.416 -8.542 1.00 0.00 H new ATOM 0 HA TYR A 97 74.188 7.252 -10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 97 71.795 8.392 -8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 97 73.032 9.529 -9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 97 73.637 9.776 -11.859 1.00 0.00 H new ATOM 0 HD2 TYR A 97 70.419 7.225 -10.670 1.00 0.00 H new ATOM 0 HE1 TYR A 97 72.840 9.702 -14.186 1.00 0.00 H new ATOM 0 HE2 TYR A 97 69.622 7.148 -13.005 1.00 0.00 H new ATOM 0 HH TYR A 97 69.958 7.823 -15.125 1.00 0.00 H new ATOM 1196 N ALA A 98 74.466 7.988 -7.277 1.00 0.00 N ATOM 1197 CA ALA A 98 75.382 8.524 -6.262 1.00 0.00 C ATOM 1198 C ALA A 98 76.704 7.733 -6.122 1.00 0.00 C ATOM 1199 O ALA A 98 77.629 8.148 -5.428 1.00 0.00 O ATOM 1200 CB ALA A 98 74.649 8.505 -4.921 1.00 0.00 C ATOM 0 H ALA A 98 73.573 7.667 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 98 75.663 9.529 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 98 75.303 8.898 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 98 73.753 9.122 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 98 74.367 7.481 -4.675 1.00 0.00 H new ATOM 1206 N MET A 99 76.725 6.580 -6.808 1.00 0.00 N ATOM 1207 CA MET A 99 77.856 5.681 -6.790 1.00 0.00 C ATOM 1208 C MET A 99 78.806 6.077 -7.905 1.00 0.00 C ATOM 1209 O MET A 99 78.419 6.670 -8.912 1.00 0.00 O ATOM 1210 CB MET A 99 77.345 4.273 -7.055 1.00 0.00 C ATOM 1211 CG MET A 99 76.222 3.894 -6.103 1.00 0.00 C ATOM 1212 SD MET A 99 75.100 2.654 -6.813 1.00 0.00 S ATOM 1213 CE MET A 99 76.203 1.660 -7.825 1.00 0.00 C ATOM 0 H MET A 99 75.950 6.257 -7.387 1.00 0.00 H new ATOM 0 HA MET A 99 78.369 5.725 -5.830 1.00 0.00 H new ATOM 0 HB2 MET A 99 76.990 4.202 -8.083 1.00 0.00 H new ATOM 0 HB3 MET A 99 78.165 3.563 -6.951 1.00 0.00 H new ATOM 0 HG2 MET A 99 76.649 3.506 -5.178 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.654 4.787 -5.842 1.00 0.00 H new ATOM 0 HE1 MET A 99 75.759 0.679 -7.991 1.00 0.00 H new ATOM 0 HE2 MET A 99 76.361 2.154 -8.784 1.00 0.00 H new ATOM 0 HE3 MET A 99 77.159 1.544 -7.315 1.00 0.00 H new ATOM 1223 N ASN A 100 80.060 5.694 -7.660 1.00 0.00 N ATOM 1224 CA ASN A 100 81.117 5.881 -8.626 1.00 0.00 C ATOM 1225 C ASN A 100 81.025 4.730 -9.627 1.00 0.00 C ATOM 1226 O ASN A 100 81.492 3.606 -9.343 1.00 0.00 O ATOM 1227 CB ASN A 100 82.465 5.916 -7.888 1.00 0.00 C ATOM 1228 CG ASN A 100 83.591 6.336 -8.831 1.00 0.00 C ATOM 1229 OD1 ASN A 100 83.368 7.061 -9.786 1.00 0.00 O ATOM 1230 ND2 ASN A 100 84.799 5.810 -8.530 1.00 0.00 N ATOM 0 H ASN A 100 80.359 5.250 -6.791 1.00 0.00 H new ATOM 0 HA ASN A 100 81.024 6.823 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 100 82.408 6.611 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 100 82.682 4.932 -7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 100 85.605 6.012 -9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 100 84.905 5.211 -7.711 1.00 0.00 H new ATOM 1237 N SER A 101 80.414 5.026 -10.777 1.00 0.00 N ATOM 1238 CA SER A 101 80.216 4.075 -11.872 1.00 0.00 C ATOM 1239 C SER A 101 81.509 3.312 -12.256 1.00 0.00 C ATOM 1240 O SER A 101 81.496 2.100 -12.449 1.00 0.00 O ATOM 1241 CB SER A 101 79.656 4.836 -13.083 1.00 0.00 C ATOM 1242 OG SER A 101 78.926 3.967 -13.939 1.00 0.00 O ATOM 0 H SER A 101 80.036 5.952 -10.976 1.00 0.00 H new ATOM 0 HA SER A 101 79.511 3.314 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 101 79.009 5.644 -12.742 1.00 0.00 H new ATOM 0 HB3 SER A 101 80.474 5.296 -13.638 1.00 0.00 H new ATOM 0 HG SER A 101 78.578 4.475 -14.701 1.00 0.00 H new ATOM 1248 N THR A 102 82.613 4.092 -12.332 1.00 0.00 N ATOM 1249 CA THR A 102 83.937 3.575 -12.714 1.00 0.00 C ATOM 1250 C THR A 102 84.573 2.623 -11.661 1.00 0.00 C ATOM 1251 O THR A 102 85.658 2.084 -11.878 1.00 0.00 O ATOM 1252 CB THR A 102 84.867 4.787 -12.946 1.00 0.00 C ATOM 1253 OG1 THR A 102 86.154 4.416 -13.412 1.00 0.00 O ATOM 1254 CG2 THR A 102 85.066 5.590 -11.660 1.00 0.00 C ATOM 0 H THR A 102 82.605 5.092 -12.130 1.00 0.00 H new ATOM 0 HA THR A 102 83.810 2.975 -13.615 1.00 0.00 H new ATOM 0 HB THR A 102 84.366 5.385 -13.707 1.00 0.00 H new ATOM 0 HG1 THR A 102 86.338 3.487 -13.159 1.00 0.00 H new ATOM 0 HG21 THR A 102 85.725 6.435 -11.857 1.00 0.00 H new ATOM 0 HG22 THR A 102 84.102 5.956 -11.307 1.00 0.00 H new ATOM 0 HG23 THR A 102 85.513 4.952 -10.898 1.00 0.00 H new ATOM 1262 N ALA A 103 83.868 2.464 -10.527 1.00 0.00 N ATOM 1263 CA ALA A 103 84.282 1.619 -9.419 1.00 0.00 C ATOM 1264 C ALA A 103 83.278 0.471 -9.336 1.00 0.00 C ATOM 1265 O ALA A 103 82.090 0.644 -9.579 1.00 0.00 O ATOM 1266 CB ALA A 103 84.281 2.445 -8.122 1.00 0.00 C ATOM 0 H ALA A 103 82.978 2.934 -10.363 1.00 0.00 H new ATOM 0 HA ALA A 103 85.289 1.227 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.591 1.814 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 103 84.974 3.280 -8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.277 2.827 -7.934 1.00 0.00 H new ATOM 1272 N ASN A 104 83.846 -0.694 -8.951 1.00 0.00 N ATOM 1273 CA ASN A 104 83.085 -1.888 -8.577 1.00 0.00 C ATOM 1274 C ASN A 104 81.842 -1.520 -7.736 1.00 0.00 C ATOM 1275 O ASN A 104 81.822 -0.524 -7.021 1.00 0.00 O ATOM 1276 CB ASN A 104 83.996 -2.884 -7.822 1.00 0.00 C ATOM 1277 CG ASN A 104 84.951 -2.273 -6.765 1.00 0.00 C ATOM 1278 OD1 ASN A 104 84.564 -1.086 -6.269 1.00 0.00 O flip ATOM 1279 ND2 ASN A 104 85.977 -2.836 -6.438 1.00 0.00 N flip ATOM 0 H ASN A 104 84.856 -0.824 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 104 82.728 -2.368 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 104 83.362 -3.620 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 104 84.596 -3.423 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 104 86.218 -3.737 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 104 86.597 -2.407 -5.751 1.00 0.00 H new ATOM 1286 N TYR A 105 80.801 -2.355 -7.884 1.00 0.00 N ATOM 1287 CA TYR A 105 79.547 -2.053 -7.209 1.00 0.00 C ATOM 1288 C TYR A 105 79.546 -2.561 -5.767 1.00 0.00 C ATOM 1289 O TYR A 105 78.609 -3.243 -5.367 1.00 0.00 O ATOM 1290 CB TYR A 105 78.422 -2.695 -8.040 1.00 0.00 C ATOM 1291 CG TYR A 105 78.156 -1.945 -9.319 1.00 0.00 C ATOM 1292 CD1 TYR A 105 78.052 -0.557 -9.325 1.00 0.00 C ATOM 1293 CD2 TYR A 105 78.014 -2.629 -10.520 1.00 0.00 C ATOM 1294 CE1 TYR A 105 77.829 0.140 -10.501 1.00 0.00 C ATOM 1295 CE2 TYR A 105 77.785 -1.938 -11.702 1.00 0.00 C ATOM 1296 CZ TYR A 105 77.700 -0.551 -11.694 1.00 0.00 C ATOM 1297 OH TYR A 105 77.488 0.137 -12.869 1.00 0.00 O ATOM 0 H TYR A 105 80.806 -3.208 -8.443 1.00 0.00 H new ATOM 0 HA TYR A 105 79.401 -0.975 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 105 78.689 -3.725 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.509 -2.730 -7.446 1.00 0.00 H new ATOM 0 HD1 TYR A 105 78.147 -0.014 -8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 105 78.082 -3.707 -10.534 1.00 0.00 H new ATOM 0 HE1 TYR A 105 77.756 1.217 -10.488 1.00 0.00 H new ATOM 0 HE2 TYR A 105 77.673 -2.479 -12.630 1.00 0.00 H new ATOM 0 HH TYR A 105 77.422 -0.498 -13.612 1.00 0.00 H new ATOM 1307 N ASP A 106 80.602 -2.193 -4.999 1.00 0.00 N ATOM 1308 CA ASP A 106 80.738 -2.725 -3.647 1.00 0.00 C ATOM 1309 C ASP A 106 80.450 -1.584 -2.668 1.00 0.00 C ATOM 1310 O ASP A 106 80.635 -0.429 -3.014 1.00 0.00 O ATOM 1311 CB ASP A 106 82.161 -3.284 -3.467 1.00 0.00 C ATOM 1312 CG ASP A 106 82.711 -4.144 -4.632 1.00 0.00 C ATOM 1313 OD1 ASP A 106 81.953 -4.606 -5.486 1.00 0.00 O ATOM 1314 OD2 ASP A 106 83.924 -4.337 -4.673 1.00 0.00 O ATOM 0 H ASP A 106 81.340 -1.553 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 106 80.037 -3.539 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 106 82.841 -2.446 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.180 -3.886 -2.558 1.00 0.00 H new ATOM 1319 N PHE A 107 79.911 -1.947 -1.480 1.00 0.00 N ATOM 1320 CA PHE A 107 79.331 -0.953 -0.572 1.00 0.00 C ATOM 1321 C PHE A 107 79.619 -1.380 0.868 1.00 0.00 C ATOM 1322 O PHE A 107 79.674 -2.561 1.177 1.00 0.00 O ATOM 1323 CB PHE A 107 77.806 -0.827 -0.808 1.00 0.00 C ATOM 1324 CG PHE A 107 77.509 -0.116 -2.083 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.656 -0.770 -3.303 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.100 1.218 -2.082 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.476 -0.118 -4.489 1.00 0.00 C ATOM 1328 CE2 PHE A 107 76.858 1.852 -3.272 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.066 1.193 -4.474 1.00 0.00 C ATOM 0 H PHE A 107 79.870 -2.908 -1.140 1.00 0.00 H new ATOM 0 HA PHE A 107 79.778 0.023 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.357 -1.820 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.351 -0.290 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 107 77.919 -1.818 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 107 76.975 1.747 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.653 -0.626 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.503 2.872 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 107 76.904 1.714 -5.406 1.00 0.00 H new ATOM 1339 N VAL A 108 79.830 -0.369 1.729 1.00 0.00 N ATOM 1340 CA VAL A 108 79.992 -0.580 3.157 1.00 0.00 C ATOM 1341 C VAL A 108 78.807 0.092 3.843 1.00 0.00 C ATOM 1342 O VAL A 108 78.394 1.192 3.502 1.00 0.00 O ATOM 1343 CB VAL A 108 81.354 -0.012 3.598 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.494 0.172 5.115 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.494 -0.885 3.079 1.00 0.00 C ATOM 0 H VAL A 108 79.891 0.609 1.445 1.00 0.00 H new ATOM 0 HA VAL A 108 79.997 -1.635 3.430 1.00 0.00 H new ATOM 0 HB VAL A 108 81.410 0.984 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.481 0.576 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 108 80.729 0.862 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 108 81.372 -0.791 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.448 -0.467 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.388 -1.895 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.461 -0.917 1.990 1.00 0.00 H new ATOM 1355 N LEU A 109 78.294 -0.659 4.823 1.00 0.00 N ATOM 1356 CA LEU A 109 77.203 -0.211 5.658 1.00 0.00 C ATOM 1357 C LEU A 109 77.755 -0.025 7.068 1.00 0.00 C ATOM 1358 O LEU A 109 78.149 -0.984 7.722 1.00 0.00 O ATOM 1359 CB LEU A 109 76.158 -1.321 5.668 1.00 0.00 C ATOM 1360 CG LEU A 109 74.986 -1.049 6.625 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.142 0.086 6.074 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.096 -2.270 6.871 1.00 0.00 C ATOM 0 H LEU A 109 78.632 -1.594 5.050 1.00 0.00 H new ATOM 0 HA LEU A 109 76.765 0.720 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 109 75.769 -1.453 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.637 -2.258 5.950 1.00 0.00 H new ATOM 0 HG LEU A 109 75.424 -0.784 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.310 0.282 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.754 0.983 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 109 73.755 -0.191 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.291 -2.002 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 109 73.671 -2.607 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.691 -3.072 7.307 1.00 0.00 H new ATOM 1374 N LYS A 110 77.743 1.250 7.494 1.00 0.00 N ATOM 1375 CA LYS A 110 78.279 1.589 8.800 1.00 0.00 C ATOM 1376 C LYS A 110 77.195 2.230 9.648 1.00 0.00 C ATOM 1377 O LYS A 110 76.267 2.821 9.106 1.00 0.00 O ATOM 1378 CB LYS A 110 79.447 2.548 8.607 1.00 0.00 C ATOM 1379 CG LYS A 110 80.728 2.058 9.248 1.00 0.00 C ATOM 1380 CD LYS A 110 81.686 3.205 9.535 1.00 0.00 C ATOM 1381 CE LYS A 110 83.092 2.912 9.034 1.00 0.00 C ATOM 1382 NZ LYS A 110 83.965 4.009 9.409 1.00 0.00 N ATOM 0 H LYS A 110 77.375 2.037 6.960 1.00 0.00 H new ATOM 0 HA LYS A 110 78.626 0.692 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.615 2.697 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 110 79.186 3.519 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 110 80.495 1.537 10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 110 81.211 1.336 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 110 81.315 4.114 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.715 3.393 10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 110 83.457 1.978 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 110 83.088 2.788 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 84.929 3.817 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 83.617 4.891 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 83.975 4.106 10.444 1.00 0.00 H new ATOM 1396 N LYS A 111 77.335 2.090 10.976 1.00 0.00 N ATOM 1397 CA LYS A 111 76.372 2.644 11.915 1.00 0.00 C ATOM 1398 C LYS A 111 76.838 4.048 12.311 1.00 0.00 C ATOM 1399 O LYS A 111 78.028 4.336 12.317 1.00 0.00 O ATOM 1400 CB LYS A 111 76.259 1.697 13.121 1.00 0.00 C ATOM 1401 CG LYS A 111 74.934 1.844 13.873 1.00 0.00 C ATOM 1402 CD LYS A 111 74.991 2.924 14.945 1.00 0.00 C ATOM 1403 CE LYS A 111 75.101 2.375 16.363 1.00 0.00 C ATOM 1404 NZ LYS A 111 73.943 2.790 17.130 1.00 0.00 N ATOM 0 H LYS A 111 78.111 1.595 11.415 1.00 0.00 H new ATOM 0 HA LYS A 111 75.380 2.733 11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.364 0.667 12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 111 77.084 1.891 13.807 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.141 2.082 13.164 1.00 0.00 H new ATOM 0 HG3 LYS A 111 74.674 0.891 14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.844 3.573 14.749 1.00 0.00 H new ATOM 0 HD3 LYS A 111 74.097 3.543 14.873 1.00 0.00 H new ATOM 0 HE2 LYS A 111 75.165 1.287 16.340 1.00 0.00 H new ATOM 0 HE3 LYS A 111 76.014 2.738 16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 74.242 3.439 17.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 73.268 3.275 16.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 73.488 1.955 17.550 1.00 0.00 H new ATOM 1418 N ARG A 112 75.833 4.899 12.626 1.00 0.00 N ATOM 1419 CA ARG A 112 76.073 6.262 13.084 1.00 0.00 C ATOM 1420 C ARG A 112 76.324 6.270 14.593 1.00 0.00 C ATOM 1421 O ARG A 112 75.729 7.026 15.355 1.00 0.00 O ATOM 1422 CB ARG A 112 74.856 7.126 12.720 1.00 0.00 C ATOM 1423 CG ARG A 112 75.149 8.086 11.564 1.00 0.00 C ATOM 1424 CD ARG A 112 73.849 8.498 10.863 1.00 0.00 C ATOM 1425 NE ARG A 112 72.923 9.017 11.862 1.00 0.00 N ATOM 1426 CZ ARG A 112 73.222 10.150 12.533 1.00 0.00 C ATOM 1427 NH1 ARG A 112 74.024 11.068 11.986 1.00 0.00 N ATOM 1428 NH2 ARG A 112 72.748 10.340 13.755 1.00 0.00 N ATOM 0 H ARG A 112 74.846 4.650 12.566 1.00 0.00 H new ATOM 0 HA ARG A 112 76.958 6.672 12.598 1.00 0.00 H new ATOM 0 HB2 ARG A 112 74.022 6.479 12.449 1.00 0.00 H new ATOM 0 HB3 ARG A 112 74.545 7.698 13.594 1.00 0.00 H new ATOM 0 HG2 ARG A 112 75.662 8.971 11.940 1.00 0.00 H new ATOM 0 HG3 ARG A 112 75.819 7.609 10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 112 74.052 9.256 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 112 73.410 7.643 10.349 1.00 0.00 H new ATOM 0 HE ARG A 112 72.050 8.525 12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 112 74.414 10.915 11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 112 74.246 11.922 12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 112 72.157 9.631 14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 112 72.974 11.196 14.262 1.00 0.00 H new ATOM 1442 N THR A 113 77.281 5.395 14.969 1.00 0.00 N ATOM 1443 CA THR A 113 77.685 5.244 16.353 1.00 0.00 C ATOM 1444 C THR A 113 78.315 6.567 16.771 1.00 0.00 C ATOM 1445 O THR A 113 78.352 7.488 15.970 1.00 0.00 O ATOM 1446 CB THR A 113 78.673 4.061 16.478 1.00 0.00 C ATOM 1447 OG1 THR A 113 78.476 3.102 15.450 1.00 0.00 O ATOM 1448 CG2 THR A 113 78.516 3.336 17.824 1.00 0.00 C ATOM 0 H THR A 113 77.780 4.788 14.319 1.00 0.00 H new ATOM 0 HA THR A 113 76.842 5.018 17.006 1.00 0.00 H new ATOM 0 HB THR A 113 79.670 4.494 16.398 1.00 0.00 H new ATOM 0 HG1 THR A 113 79.118 2.370 15.559 1.00 0.00 H new ATOM 0 HG21 THR A 113 79.226 2.510 17.878 1.00 0.00 H new ATOM 0 HG22 THR A 113 78.710 4.034 18.638 1.00 0.00 H new ATOM 0 HG23 THR A 113 77.501 2.948 17.912 1.00 0.00 H new ATOM 1456 N PHE A 114 78.803 6.608 18.028 1.00 0.00 N ATOM 1457 CA PHE A 114 79.524 7.756 18.583 1.00 0.00 C ATOM 1458 C PHE A 114 80.384 8.487 17.542 1.00 0.00 C ATOM 1459 O PHE A 114 81.553 8.166 17.349 1.00 0.00 O ATOM 1460 CB PHE A 114 80.436 7.227 19.716 1.00 0.00 C ATOM 1461 CG PHE A 114 80.003 7.643 21.079 1.00 0.00 C ATOM 1462 CD1 PHE A 114 78.646 7.752 21.421 1.00 0.00 C ATOM 1463 CD2 PHE A 114 80.952 7.946 22.056 1.00 0.00 C ATOM 1464 CE1 PHE A 114 78.268 8.165 22.671 1.00 0.00 C ATOM 1465 CE2 PHE A 114 80.577 8.348 23.312 1.00 0.00 C ATOM 1466 CZ PHE A 114 79.223 8.469 23.636 1.00 0.00 C ATOM 0 H PHE A 114 78.703 5.835 18.686 1.00 0.00 H new ATOM 0 HA PHE A 114 78.793 8.479 18.944 1.00 0.00 H new ATOM 0 HB2 PHE A 114 80.463 6.138 19.670 1.00 0.00 H new ATOM 0 HB3 PHE A 114 81.453 7.579 19.545 1.00 0.00 H new ATOM 0 HD1 PHE A 114 77.890 7.507 20.689 1.00 0.00 H new ATOM 0 HD2 PHE A 114 82.002 7.862 21.818 1.00 0.00 H new ATOM 0 HE1 PHE A 114 77.219 8.256 22.910 1.00 0.00 H new ATOM 0 HE2 PHE A 114 81.330 8.572 24.053 1.00 0.00 H new ATOM 0 HZ PHE A 114 78.922 8.794 24.621 1.00 0.00 H new ATOM 1476 N THR A 115 79.725 9.461 16.870 1.00 0.00 N ATOM 1477 CA THR A 115 80.370 10.196 15.785 1.00 0.00 C ATOM 1478 C THR A 115 80.813 9.264 14.606 1.00 0.00 C ATOM 1479 O THR A 115 80.715 8.041 14.709 1.00 0.00 O ATOM 1480 CB THR A 115 81.503 11.022 16.428 1.00 0.00 C ATOM 1481 OG1 THR A 115 80.918 11.720 17.519 1.00 0.00 O ATOM 1482 CG2 THR A 115 82.187 11.998 15.470 1.00 0.00 C ATOM 1483 OXT THR A 115 81.243 9.776 13.575 1.00 0.00 O ATOM 0 H THR A 115 78.764 9.744 17.064 1.00 0.00 H new ATOM 0 HA THR A 115 79.674 10.876 15.293 1.00 0.00 H new ATOM 0 HB THR A 115 82.298 10.346 16.742 1.00 0.00 H new ATOM 0 HG1 THR A 115 81.602 12.262 17.965 1.00 0.00 H new ATOM 0 HG21 THR A 115 82.971 12.539 16.000 1.00 0.00 H new ATOM 0 HG22 THR A 115 82.626 11.445 14.639 1.00 0.00 H new ATOM 0 HG23 THR A 115 81.453 12.706 15.087 1.00 0.00 H new TER 1491 THR A 115