USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 749 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 25 LYS NZ :NH3+ 168:sc=-0.00594 (180deg=-0.136) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 67 SER OG : rot -54:sc= 0.323 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.206 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -175:sc= -0.0208 (180deg=-0.186) USER MOD Single : A 1 VAL N :NH3+ -122:sc= 0.00923 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 63:sc= 1 USER MOD Single : A 8 LYS NZ :NH3+ -127:sc= -0.732 (180deg=-3.49!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.257 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.21 K(o=-1.2,f=-4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -150:sc= 0.384 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -97:sc= 1.13 USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= -1.7! (180deg=-3.61!) USER MOD Single : A 52 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -159:sc= -4.09! (180deg=-6.12!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.65 K(o=-3.6,f=-11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.3!) USER MOD Single : A 72 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.4!) USER MOD Single : A 73 MET CE :methyl 159:sc= -0.0198 (180deg=-0.283) USER MOD Single : A 75 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.8!) USER MOD Single : A 76 THR OG1 : rot 13:sc= 0.0824 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.347 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.919! USER MOD Single : A 82 GLN : amide:sc= -0.411 K(o=-0.41,f=-2.4!) USER MOD Single : A 83 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.25 F(o=-0.79,f=-0.25) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.433 6.014 -22.575 1.00 0.00 N ATOM 2 CA VAL A 1 -6.155 4.768 -22.389 1.00 0.00 C ATOM 3 C VAL A 1 -7.624 4.973 -22.767 1.00 0.00 C ATOM 4 O VAL A 1 -8.182 6.046 -22.540 1.00 0.00 O ATOM 5 CB VAL A 1 -5.971 4.265 -20.955 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.025 4.868 -20.023 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.002 2.736 -20.902 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.651 5.866 -23.244 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.079 6.737 -22.952 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.051 6.334 -21.662 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.756 3.994 -23.044 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.991 4.592 -20.608 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.872 4.494 -19.011 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -6.935 5.954 -20.026 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -8.020 4.585 -20.367 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.869 2.405 -19.872 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.961 2.378 -21.277 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.198 2.334 -21.519 1.00 0.00 H new ATOM 17 N GLY A 2 -8.207 3.929 -23.336 1.00 0.00 N ATOM 18 CA GLY A 2 -9.600 3.982 -23.747 1.00 0.00 C ATOM 19 C GLY A 2 -10.523 4.135 -22.536 1.00 0.00 C ATOM 20 O GLY A 2 -10.183 4.822 -21.575 1.00 0.00 O ATOM 0 H GLY A 2 -7.741 3.041 -23.522 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.750 4.818 -24.431 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.857 3.074 -24.292 1.00 0.00 H new ATOM 24 N SER A 3 -11.674 3.484 -22.624 1.00 0.00 N ATOM 25 CA SER A 3 -12.649 3.539 -21.549 1.00 0.00 C ATOM 26 C SER A 3 -12.858 4.988 -21.106 1.00 0.00 C ATOM 27 O SER A 3 -12.311 5.910 -21.708 1.00 0.00 O ATOM 28 CB SER A 3 -12.209 2.680 -20.361 1.00 0.00 C ATOM 29 OG SER A 3 -13.312 2.033 -19.732 1.00 0.00 O ATOM 0 H SER A 3 -11.953 2.916 -23.424 1.00 0.00 H new ATOM 0 HA SER A 3 -13.592 3.140 -21.922 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.495 1.930 -20.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.692 3.306 -19.633 1.00 0.00 H new ATOM 0 HG SER A 3 -12.989 1.494 -18.980 1.00 0.00 H new ATOM 35 N GLU A 4 -13.651 5.145 -20.056 1.00 0.00 N ATOM 36 CA GLU A 4 -13.940 6.467 -19.526 1.00 0.00 C ATOM 37 C GLU A 4 -12.913 6.845 -18.458 1.00 0.00 C ATOM 38 O GLU A 4 -12.677 6.085 -17.520 1.00 0.00 O ATOM 39 CB GLU A 4 -15.363 6.534 -18.967 1.00 0.00 C ATOM 40 CG GLU A 4 -15.593 5.444 -17.918 1.00 0.00 C ATOM 41 CD GLU A 4 -16.394 4.280 -18.506 1.00 0.00 C ATOM 42 OE1 GLU A 4 -17.607 4.483 -18.730 1.00 0.00 O ATOM 43 OE2 GLU A 4 -15.777 3.214 -18.716 1.00 0.00 O ATOM 0 H GLU A 4 -14.103 4.378 -19.558 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.871 7.188 -20.341 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.537 7.514 -18.522 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.082 6.420 -19.778 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.634 5.081 -17.549 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.126 5.862 -17.064 1.00 0.00 H new ATOM 50 N VAL A 5 -12.327 8.021 -18.636 1.00 0.00 N ATOM 51 CA VAL A 5 -11.330 8.510 -17.699 1.00 0.00 C ATOM 52 C VAL A 5 -11.375 10.039 -17.666 1.00 0.00 C ATOM 53 O VAL A 5 -11.611 10.679 -18.690 1.00 0.00 O ATOM 54 CB VAL A 5 -9.951 7.960 -18.068 1.00 0.00 C ATOM 55 CG1 VAL A 5 -9.221 8.905 -19.026 1.00 0.00 C ATOM 56 CG2 VAL A 5 -9.113 7.694 -16.816 1.00 0.00 C ATOM 0 H VAL A 5 -12.524 8.649 -19.415 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.547 8.156 -16.691 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.097 7.010 -18.581 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.244 8.490 -19.272 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.806 9.021 -19.938 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.093 9.877 -18.551 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.138 7.304 -17.107 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.981 8.623 -16.262 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.622 6.965 -16.186 1.00 0.00 H new ATOM 66 N SER A 6 -11.142 10.581 -16.479 1.00 0.00 N ATOM 67 CA SER A 6 -11.153 12.023 -16.299 1.00 0.00 C ATOM 68 C SER A 6 -11.562 12.368 -14.866 1.00 0.00 C ATOM 69 O SER A 6 -11.293 13.468 -14.388 1.00 0.00 O ATOM 70 CB SER A 6 -12.097 12.695 -17.298 1.00 0.00 C ATOM 71 OG SER A 6 -11.426 13.066 -18.500 1.00 0.00 O ATOM 0 H SER A 6 -10.944 10.047 -15.633 1.00 0.00 H new ATOM 0 HA SER A 6 -10.146 12.399 -16.483 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.917 12.017 -17.535 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.538 13.581 -16.841 1.00 0.00 H new ATOM 0 HG SER A 6 -11.087 12.262 -18.947 1.00 0.00 H new ATOM 77 N ASP A 7 -12.207 11.407 -14.221 1.00 0.00 N ATOM 78 CA ASP A 7 -12.657 11.596 -12.852 1.00 0.00 C ATOM 79 C ASP A 7 -12.004 10.544 -11.955 1.00 0.00 C ATOM 80 O ASP A 7 -11.770 10.789 -10.773 1.00 0.00 O ATOM 81 CB ASP A 7 -14.174 11.433 -12.743 1.00 0.00 C ATOM 82 CG ASP A 7 -14.932 12.698 -12.334 1.00 0.00 C ATOM 83 OD1 ASP A 7 -14.448 13.792 -12.695 1.00 0.00 O ATOM 84 OD2 ASP A 7 -15.979 12.541 -11.669 1.00 0.00 O ATOM 0 H ASP A 7 -12.429 10.495 -14.621 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.379 12.604 -12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.558 11.092 -13.705 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.389 10.648 -12.018 1.00 0.00 H new ATOM 89 N LYS A 8 -11.726 9.393 -12.552 1.00 0.00 N ATOM 90 CA LYS A 8 -11.104 8.302 -11.822 1.00 0.00 C ATOM 91 C LYS A 8 -9.965 8.853 -10.963 1.00 0.00 C ATOM 92 O LYS A 8 -9.542 9.995 -11.143 1.00 0.00 O ATOM 93 CB LYS A 8 -10.669 7.194 -12.783 1.00 0.00 C ATOM 94 CG LYS A 8 -11.835 6.256 -13.102 1.00 0.00 C ATOM 95 CD LYS A 8 -12.195 6.313 -14.588 1.00 0.00 C ATOM 96 CE LYS A 8 -13.623 6.824 -14.786 1.00 0.00 C ATOM 97 NZ LYS A 8 -13.611 8.238 -15.228 1.00 0.00 N ATOM 0 H LYS A 8 -11.921 9.193 -13.533 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.821 7.840 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.290 7.635 -13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.850 6.625 -12.342 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.570 5.235 -12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.703 6.532 -12.503 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.496 6.965 -15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.095 5.321 -15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.136 6.210 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.181 6.733 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.218 8.803 -14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.639 8.605 -15.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.968 8.300 -16.203 1.00 0.00 H new ATOM 111 N ARG A 9 -9.499 8.017 -10.047 1.00 0.00 N ATOM 112 CA ARG A 9 -8.416 8.407 -9.160 1.00 0.00 C ATOM 113 C ARG A 9 -7.304 7.357 -9.186 1.00 0.00 C ATOM 114 O ARG A 9 -6.210 7.618 -9.685 1.00 0.00 O ATOM 115 CB ARG A 9 -8.915 8.576 -7.723 1.00 0.00 C ATOM 116 CG ARG A 9 -8.010 9.525 -6.936 1.00 0.00 C ATOM 117 CD ARG A 9 -7.132 8.753 -5.949 1.00 0.00 C ATOM 118 NE ARG A 9 -6.889 9.571 -4.740 1.00 0.00 N ATOM 119 CZ ARG A 9 -6.150 10.689 -4.725 1.00 0.00 C ATOM 120 NH1 ARG A 9 -5.578 11.129 -5.855 1.00 0.00 N ATOM 121 NH2 ARG A 9 -5.985 11.368 -3.582 1.00 0.00 N ATOM 0 H ARG A 9 -9.851 7.071 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.027 9.362 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.934 8.963 -7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.947 7.605 -7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.380 10.088 -7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.619 10.250 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.617 7.817 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.183 8.494 -6.419 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.310 9.265 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.705 10.613 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.016 11.980 -5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.422 11.034 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.423 12.219 -3.571 1.00 0.00 H new ATOM 135 N THR A 10 -7.621 6.191 -8.642 1.00 0.00 N ATOM 136 CA THR A 10 -6.662 5.100 -8.597 1.00 0.00 C ATOM 137 C THR A 10 -6.993 4.055 -9.665 1.00 0.00 C ATOM 138 O THR A 10 -6.143 3.711 -10.486 1.00 0.00 O ATOM 139 CB THR A 10 -6.657 4.534 -7.175 1.00 0.00 C ATOM 140 OG1 THR A 10 -5.654 5.292 -6.504 1.00 0.00 O ATOM 141 CG2 THR A 10 -6.137 3.096 -7.120 1.00 0.00 C ATOM 0 H THR A 10 -8.529 5.978 -8.229 1.00 0.00 H new ATOM 0 HA THR A 10 -5.655 5.448 -8.828 1.00 0.00 H new ATOM 0 HB THR A 10 -7.666 4.571 -6.765 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.585 4.992 -5.574 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.154 2.742 -6.089 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.771 2.456 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.115 3.064 -7.498 1.00 0.00 H new ATOM 149 N CYS A 11 -8.229 3.581 -9.622 1.00 0.00 N ATOM 150 CA CYS A 11 -8.682 2.583 -10.576 1.00 0.00 C ATOM 151 C CYS A 11 -10.042 3.023 -11.121 1.00 0.00 C ATOM 152 O CYS A 11 -10.350 4.213 -11.144 1.00 0.00 O ATOM 153 CB CYS A 11 -8.742 1.188 -9.950 1.00 0.00 C ATOM 154 SG CYS A 11 -10.199 0.887 -8.884 1.00 0.00 S ATOM 0 H CYS A 11 -8.931 3.870 -8.941 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.969 2.510 -11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.734 0.446 -10.749 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.839 1.031 -9.360 1.00 0.00 H new ATOM 159 N VAL A 12 -10.819 2.038 -11.548 1.00 0.00 N ATOM 160 CA VAL A 12 -12.139 2.308 -12.093 1.00 0.00 C ATOM 161 C VAL A 12 -13.196 2.013 -11.026 1.00 0.00 C ATOM 162 O VAL A 12 -13.723 2.931 -10.398 1.00 0.00 O ATOM 163 CB VAL A 12 -12.348 1.507 -13.379 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.777 1.670 -13.900 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.327 1.907 -14.446 1.00 0.00 C ATOM 0 H VAL A 12 -10.560 1.052 -11.528 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.233 3.360 -12.363 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.194 0.453 -13.146 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.899 1.090 -14.815 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.481 1.314 -13.148 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.970 2.722 -14.109 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.498 1.323 -15.350 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.435 2.967 -14.674 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.320 1.716 -14.075 1.00 0.00 H new ATOM 175 N SER A 13 -13.474 0.729 -10.853 1.00 0.00 N ATOM 176 CA SER A 13 -14.458 0.302 -9.874 1.00 0.00 C ATOM 177 C SER A 13 -13.793 -0.574 -8.811 1.00 0.00 C ATOM 178 O SER A 13 -12.570 -0.576 -8.679 1.00 0.00 O ATOM 179 CB SER A 13 -15.608 -0.455 -10.542 1.00 0.00 C ATOM 180 OG SER A 13 -16.066 0.201 -11.721 1.00 0.00 O ATOM 0 H SER A 13 -13.035 -0.029 -11.375 1.00 0.00 H new ATOM 0 HA SER A 13 -14.872 1.190 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.280 -1.464 -10.793 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.434 -0.554 -9.838 1.00 0.00 H new ATOM 0 HG SER A 13 -16.799 -0.314 -12.118 1.00 0.00 H new ATOM 186 N LEU A 14 -14.627 -1.298 -8.080 1.00 0.00 N ATOM 187 CA LEU A 14 -14.135 -2.176 -7.033 1.00 0.00 C ATOM 188 C LEU A 14 -14.211 -3.628 -7.511 1.00 0.00 C ATOM 189 O LEU A 14 -15.293 -4.211 -7.569 1.00 0.00 O ATOM 190 CB LEU A 14 -14.884 -1.921 -5.723 1.00 0.00 C ATOM 191 CG LEU A 14 -14.318 -0.815 -4.830 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.231 -0.557 -3.630 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.885 -1.137 -4.401 1.00 0.00 C ATOM 0 H LEU A 14 -15.641 -1.294 -8.192 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.087 -1.964 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.919 -1.674 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.901 -2.849 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.282 0.107 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.805 0.233 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.216 -0.251 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.323 -1.469 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.506 -0.335 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.874 -2.075 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.253 -1.231 -5.284 1.00 0.00 H new ATOM 205 N THR A 15 -13.049 -4.169 -7.845 1.00 0.00 N ATOM 206 CA THR A 15 -12.970 -5.541 -8.318 1.00 0.00 C ATOM 207 C THR A 15 -13.453 -5.634 -9.766 1.00 0.00 C ATOM 208 O THR A 15 -13.033 -4.849 -10.616 1.00 0.00 O ATOM 209 CB THR A 15 -13.770 -6.419 -7.354 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.404 -5.939 -6.062 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.295 -7.875 -7.357 1.00 0.00 C ATOM 0 H THR A 15 -12.154 -3.682 -7.798 1.00 0.00 H new ATOM 0 HA THR A 15 -11.940 -5.898 -8.328 1.00 0.00 H new ATOM 0 HB THR A 15 -14.826 -6.380 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.879 -6.452 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.895 -8.455 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.403 -8.291 -8.359 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.248 -7.917 -7.058 1.00 0.00 H new ATOM 219 N THR A 16 -14.328 -6.601 -10.004 1.00 0.00 N ATOM 220 CA THR A 16 -14.873 -6.806 -11.336 1.00 0.00 C ATOM 221 C THR A 16 -13.864 -7.548 -12.215 1.00 0.00 C ATOM 222 O THR A 16 -14.146 -7.844 -13.375 1.00 0.00 O ATOM 223 CB THR A 16 -15.280 -5.442 -11.896 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.436 -5.721 -12.680 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.267 -4.897 -12.905 1.00 0.00 C ATOM 0 H THR A 16 -14.673 -7.251 -9.297 1.00 0.00 H new ATOM 0 HA THR A 16 -15.760 -7.439 -11.308 1.00 0.00 H new ATOM 0 HB THR A 16 -15.393 -4.732 -11.077 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.768 -4.890 -13.080 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.604 -3.927 -13.271 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.296 -4.785 -12.422 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.178 -5.590 -13.742 1.00 0.00 H new ATOM 233 N GLN A 17 -12.708 -7.826 -11.630 1.00 0.00 N ATOM 234 CA GLN A 17 -11.656 -8.527 -12.345 1.00 0.00 C ATOM 235 C GLN A 17 -10.725 -9.237 -11.360 1.00 0.00 C ATOM 236 O GLN A 17 -9.566 -8.851 -11.207 1.00 0.00 O ATOM 237 CB GLN A 17 -10.874 -7.570 -13.246 1.00 0.00 C ATOM 238 CG GLN A 17 -10.006 -6.622 -12.417 1.00 0.00 C ATOM 239 CD GLN A 17 -10.020 -5.210 -13.005 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.988 -4.474 -12.899 1.00 0.00 O ATOM 241 NE2 GLN A 17 -8.896 -4.873 -13.630 1.00 0.00 N ATOM 0 H GLN A 17 -12.477 -7.578 -10.668 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.118 -9.280 -12.984 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.245 -8.141 -13.929 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.567 -6.993 -13.858 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.369 -6.595 -11.390 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.983 -6.996 -12.384 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.123 -5.537 -13.683 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.807 -3.951 -14.057 1.00 0.00 H new ATOM 250 N ARG A 18 -11.266 -10.261 -10.716 1.00 0.00 N ATOM 251 CA ARG A 18 -10.498 -11.026 -9.749 1.00 0.00 C ATOM 252 C ARG A 18 -9.255 -11.623 -10.412 1.00 0.00 C ATOM 253 O ARG A 18 -9.330 -12.670 -11.053 1.00 0.00 O ATOM 254 CB ARG A 18 -11.338 -12.156 -9.148 1.00 0.00 C ATOM 255 CG ARG A 18 -10.452 -13.320 -8.701 1.00 0.00 C ATOM 256 CD ARG A 18 -11.124 -14.121 -7.584 1.00 0.00 C ATOM 257 NE ARG A 18 -11.129 -15.561 -7.927 1.00 0.00 N ATOM 258 CZ ARG A 18 -10.060 -16.362 -7.822 1.00 0.00 C ATOM 259 NH1 ARG A 18 -8.894 -15.869 -7.384 1.00 0.00 N ATOM 260 NH2 ARG A 18 -10.157 -17.657 -8.157 1.00 0.00 N ATOM 0 H ARG A 18 -12.227 -10.578 -10.845 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.199 -10.346 -8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.906 -11.779 -8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.062 -12.507 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.247 -13.973 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.492 -12.939 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.595 -13.964 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.145 -13.770 -7.437 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.001 -15.969 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.820 -14.884 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.080 -16.479 -7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.045 -18.032 -8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.343 -18.267 -8.077 1.00 0.00 H new ATOM 274 N LEU A 19 -8.139 -10.931 -10.235 1.00 0.00 N ATOM 275 CA LEU A 19 -6.881 -11.379 -10.808 1.00 0.00 C ATOM 276 C LEU A 19 -6.143 -12.248 -9.788 1.00 0.00 C ATOM 277 O LEU A 19 -6.349 -12.110 -8.584 1.00 0.00 O ATOM 278 CB LEU A 19 -6.063 -10.185 -11.305 1.00 0.00 C ATOM 279 CG LEU A 19 -5.324 -9.385 -10.232 1.00 0.00 C ATOM 280 CD1 LEU A 19 -4.284 -8.454 -10.860 1.00 0.00 C ATOM 281 CD2 LEU A 19 -6.307 -8.625 -9.339 1.00 0.00 C ATOM 0 H LEU A 19 -8.080 -10.063 -9.703 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.061 -12.000 -11.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.332 -10.547 -12.028 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.731 -9.509 -11.838 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.786 -10.087 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.773 -7.897 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.557 -9.044 -11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.780 -7.757 -11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.755 -8.065 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.893 -7.935 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.975 -9.333 -8.848 1.00 0.00 H new ATOM 293 N PRO A 20 -5.273 -13.148 -10.321 1.00 0.00 N ATOM 294 CA PRO A 20 -4.503 -14.039 -9.471 1.00 0.00 C ATOM 295 C PRO A 20 -3.359 -13.290 -8.786 1.00 0.00 C ATOM 296 O PRO A 20 -2.728 -12.425 -9.390 1.00 0.00 O ATOM 297 CB PRO A 20 -4.019 -15.144 -10.397 1.00 0.00 C ATOM 298 CG PRO A 20 -4.142 -14.590 -11.807 1.00 0.00 C ATOM 299 CD PRO A 20 -5.003 -13.339 -11.743 1.00 0.00 C ATOM 0 HA PRO A 20 -5.091 -14.452 -8.652 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.988 -15.417 -10.173 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.621 -16.045 -10.278 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.158 -14.356 -12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.592 -15.329 -12.470 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.484 -12.479 -12.167 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.927 -13.464 -12.308 1.00 0.00 H new ATOM 307 N VAL A 21 -3.126 -13.650 -7.532 1.00 0.00 N ATOM 308 CA VAL A 21 -2.069 -13.022 -6.757 1.00 0.00 C ATOM 309 C VAL A 21 -0.760 -13.081 -7.547 1.00 0.00 C ATOM 310 O VAL A 21 0.060 -12.168 -7.465 1.00 0.00 O ATOM 311 CB VAL A 21 -1.967 -13.683 -5.380 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.947 -14.823 -5.394 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.624 -12.652 -4.302 1.00 0.00 C ATOM 0 H VAL A 21 -3.651 -14.368 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.296 -11.970 -6.582 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.941 -14.109 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.894 -15.276 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.252 -15.575 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.033 -14.431 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.557 -13.147 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.668 -12.184 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.402 -11.890 -4.267 1.00 0.00 H new ATOM 323 N SER A 22 -0.605 -14.164 -8.294 1.00 0.00 N ATOM 324 CA SER A 22 0.590 -14.353 -9.098 1.00 0.00 C ATOM 325 C SER A 22 0.666 -13.278 -10.184 1.00 0.00 C ATOM 326 O SER A 22 1.737 -13.021 -10.734 1.00 0.00 O ATOM 327 CB SER A 22 0.615 -15.747 -9.728 1.00 0.00 C ATOM 328 OG SER A 22 1.339 -15.766 -10.955 1.00 0.00 O ATOM 0 H SER A 22 -1.287 -14.920 -8.359 1.00 0.00 H new ATOM 0 HA SER A 22 1.459 -14.263 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.066 -16.452 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.407 -16.083 -9.905 1.00 0.00 H new ATOM 0 HG SER A 22 1.333 -16.674 -11.324 1.00 0.00 H new ATOM 334 N ARG A 23 -0.483 -12.680 -10.461 1.00 0.00 N ATOM 335 CA ARG A 23 -0.559 -11.638 -11.472 1.00 0.00 C ATOM 336 C ARG A 23 -0.530 -10.258 -10.814 1.00 0.00 C ATOM 337 O ARG A 23 -0.769 -9.246 -11.473 1.00 0.00 O ATOM 338 CB ARG A 23 -1.836 -11.772 -12.305 1.00 0.00 C ATOM 339 CG ARG A 23 -1.510 -12.169 -13.746 1.00 0.00 C ATOM 340 CD ARG A 23 -0.868 -13.557 -13.801 1.00 0.00 C ATOM 341 NE ARG A 23 -0.917 -14.083 -15.183 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.309 -15.209 -15.580 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.399 -15.934 -14.704 1.00 0.00 N ATOM 344 NH2 ARG A 23 -0.407 -15.609 -16.855 1.00 0.00 N ATOM 0 H ARG A 23 -1.369 -12.896 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 23 0.303 -11.749 -12.129 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.490 -12.520 -11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.380 -10.827 -12.298 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.421 -12.162 -14.344 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.835 -11.435 -14.185 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.166 -13.502 -13.460 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.390 -14.235 -13.126 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.447 -13.555 -15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.476 -15.629 -13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.861 -16.791 -15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.944 -15.056 -17.523 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.056 -16.466 -17.158 1.00 0.00 H new ATOM 358 N ILE A 24 -0.236 -10.259 -9.522 1.00 0.00 N ATOM 359 CA ILE A 24 -0.173 -9.018 -8.768 1.00 0.00 C ATOM 360 C ILE A 24 1.240 -8.834 -8.213 1.00 0.00 C ATOM 361 O ILE A 24 1.952 -9.812 -7.980 1.00 0.00 O ATOM 362 CB ILE A 24 -1.264 -8.988 -7.695 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.607 -9.449 -8.264 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.360 -7.603 -7.050 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.554 -9.887 -7.145 1.00 0.00 C ATOM 0 H ILE A 24 -0.039 -11.099 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.373 -8.166 -9.418 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.989 -9.692 -6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.062 -8.639 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.448 -10.276 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.142 -7.608 -6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.406 -7.351 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.600 -6.862 -7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.502 -10.210 -7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.106 -10.713 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.729 -9.050 -6.469 1.00 0.00 H new ATOM 377 N LYS A 25 1.606 -7.576 -8.017 1.00 0.00 N ATOM 378 CA LYS A 25 2.923 -7.253 -7.493 1.00 0.00 C ATOM 379 C LYS A 25 2.794 -6.814 -6.034 1.00 0.00 C ATOM 380 O LYS A 25 3.129 -7.570 -5.122 1.00 0.00 O ATOM 381 CB LYS A 25 3.615 -6.220 -8.387 1.00 0.00 C ATOM 382 CG LYS A 25 5.083 -6.589 -8.614 1.00 0.00 C ATOM 383 CD LYS A 25 5.913 -6.336 -7.354 1.00 0.00 C ATOM 384 CE LYS A 25 6.769 -5.076 -7.504 1.00 0.00 C ATOM 385 NZ LYS A 25 7.095 -4.510 -6.177 1.00 0.00 N ATOM 0 H LYS A 25 1.014 -6.768 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 25 3.565 -8.134 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.099 -6.159 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.551 -5.234 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.158 -7.639 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.485 -6.005 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.252 -6.230 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.555 -7.195 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.688 -5.315 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.236 -4.336 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.834 -3.786 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.243 -4.079 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.438 -5.267 -5.551 1.00 0.00 H new ATOM 399 N THR A 26 2.306 -5.595 -5.856 1.00 0.00 N ATOM 400 CA THR A 26 2.128 -5.048 -4.523 1.00 0.00 C ATOM 401 C THR A 26 0.680 -4.595 -4.320 1.00 0.00 C ATOM 402 O THR A 26 -0.073 -4.464 -5.284 1.00 0.00 O ATOM 403 CB THR A 26 3.148 -3.923 -4.332 1.00 0.00 C ATOM 404 OG1 THR A 26 3.452 -3.962 -2.941 1.00 0.00 O ATOM 405 CG2 THR A 26 2.537 -2.537 -4.543 1.00 0.00 C ATOM 0 H THR A 26 2.028 -4.971 -6.614 1.00 0.00 H new ATOM 0 HA THR A 26 2.309 -5.804 -3.759 1.00 0.00 H new ATOM 0 HB THR A 26 3.977 -4.063 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.108 -3.266 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.303 -1.775 -4.396 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.143 -2.464 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.729 -2.383 -3.827 1.00 0.00 H new ATOM 413 N TYR A 27 0.335 -4.367 -3.062 1.00 0.00 N ATOM 414 CA TYR A 27 -1.009 -3.931 -2.721 1.00 0.00 C ATOM 415 C TYR A 27 -0.975 -2.819 -1.672 1.00 0.00 C ATOM 416 O TYR A 27 -0.018 -2.710 -0.907 1.00 0.00 O ATOM 417 CB TYR A 27 -1.711 -5.154 -2.129 1.00 0.00 C ATOM 418 CG TYR A 27 -1.048 -5.701 -0.863 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.186 -6.315 -0.942 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.683 -5.579 0.356 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.809 -6.830 0.250 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.058 -6.093 1.547 1.00 0.00 C ATOM 423 CZ TYR A 27 0.158 -6.693 1.435 1.00 0.00 C ATOM 424 OH TYR A 27 0.747 -7.179 2.561 1.00 0.00 O ATOM 0 H TYR A 27 0.963 -4.476 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.521 -3.540 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.744 -4.892 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.740 -5.943 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.683 -6.409 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.648 -5.098 0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.773 -7.315 0.203 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.544 -6.004 2.508 1.00 0.00 H new ATOM 0 HH TYR A 27 0.167 -7.009 3.333 1.00 0.00 H new ATOM 434 N THR A 28 -2.033 -2.020 -1.667 1.00 0.00 N ATOM 435 CA THR A 28 -2.136 -0.920 -0.725 1.00 0.00 C ATOM 436 C THR A 28 -3.567 -0.804 -0.195 1.00 0.00 C ATOM 437 O THR A 28 -4.503 -0.599 -0.966 1.00 0.00 O ATOM 438 CB THR A 28 -1.642 0.349 -1.421 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.331 0.546 -0.897 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.411 1.596 -0.981 1.00 0.00 C ATOM 0 H THR A 28 -2.826 -2.114 -2.301 1.00 0.00 H new ATOM 0 HA THR A 28 -1.510 -1.091 0.151 1.00 0.00 H new ATOM 0 HB THR A 28 -1.733 0.229 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.064 1.349 -1.297 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.020 2.468 -1.505 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.468 1.474 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.293 1.736 0.094 1.00 0.00 H new ATOM 448 N ILE A 29 -3.691 -0.941 1.118 1.00 0.00 N ATOM 449 CA ILE A 29 -4.991 -0.854 1.759 1.00 0.00 C ATOM 450 C ILE A 29 -5.143 0.521 2.411 1.00 0.00 C ATOM 451 O ILE A 29 -4.211 1.019 3.043 1.00 0.00 O ATOM 452 CB ILE A 29 -5.188 -2.020 2.730 1.00 0.00 C ATOM 453 CG1 ILE A 29 -4.398 -3.250 2.278 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.674 -2.331 2.920 1.00 0.00 C ATOM 455 CD1 ILE A 29 -4.970 -3.821 0.979 1.00 0.00 C ATOM 0 H ILE A 29 -2.912 -1.112 1.754 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.787 -0.946 1.020 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.794 -1.724 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.352 -2.981 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.426 -4.011 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.786 -3.164 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.181 -1.453 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.116 -2.598 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.391 -4.694 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.009 -4.111 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.918 -3.065 0.195 1.00 0.00 H new ATOM 467 N THR A 30 -6.323 1.097 2.237 1.00 0.00 N ATOM 468 CA THR A 30 -6.609 2.405 2.800 1.00 0.00 C ATOM 469 C THR A 30 -7.573 2.279 3.981 1.00 0.00 C ATOM 470 O THR A 30 -8.272 1.275 4.111 1.00 0.00 O ATOM 471 CB THR A 30 -7.138 3.299 1.677 1.00 0.00 C ATOM 472 OG1 THR A 30 -7.967 2.433 0.906 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.039 3.728 0.703 1.00 0.00 C ATOM 0 H THR A 30 -7.093 0.681 1.713 1.00 0.00 H new ATOM 0 HA THR A 30 -5.708 2.866 3.204 1.00 0.00 H new ATOM 0 HB THR A 30 -7.606 4.184 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.964 2.725 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.468 4.361 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.272 4.285 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.592 2.845 0.246 1.00 0.00 H new ATOM 481 N GLU A 31 -7.580 3.311 4.812 1.00 0.00 N ATOM 482 CA GLU A 31 -8.447 3.327 5.978 1.00 0.00 C ATOM 483 C GLU A 31 -9.420 4.505 5.898 1.00 0.00 C ATOM 484 O GLU A 31 -10.454 4.507 6.565 1.00 0.00 O ATOM 485 CB GLU A 31 -7.628 3.379 7.269 1.00 0.00 C ATOM 486 CG GLU A 31 -7.798 2.091 8.078 1.00 0.00 C ATOM 487 CD GLU A 31 -6.685 1.092 7.758 1.00 0.00 C ATOM 488 OE1 GLU A 31 -6.855 0.350 6.767 1.00 0.00 O ATOM 489 OE2 GLU A 31 -5.688 1.092 8.514 1.00 0.00 O ATOM 0 H GLU A 31 -6.999 4.142 4.701 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.025 2.403 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.575 3.526 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.941 4.234 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.789 2.322 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.767 1.644 7.857 1.00 0.00 H new ATOM 496 N GLY A 32 -9.056 5.479 5.077 1.00 0.00 N ATOM 497 CA GLY A 32 -9.883 6.660 4.903 1.00 0.00 C ATOM 498 C GLY A 32 -11.195 6.311 4.196 1.00 0.00 C ATOM 499 O GLY A 32 -11.507 5.136 4.003 1.00 0.00 O ATOM 0 H GLY A 32 -8.199 5.474 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.097 7.105 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.340 7.406 4.323 1.00 0.00 H new ATOM 503 N SER A 33 -11.928 7.351 3.829 1.00 0.00 N ATOM 504 CA SER A 33 -13.199 7.169 3.148 1.00 0.00 C ATOM 505 C SER A 33 -13.063 6.097 2.065 1.00 0.00 C ATOM 506 O SER A 33 -14.040 5.438 1.713 1.00 0.00 O ATOM 507 CB SER A 33 -13.690 8.483 2.537 1.00 0.00 C ATOM 508 OG SER A 33 -14.827 8.999 3.223 1.00 0.00 O ATOM 0 H SER A 33 -11.666 8.324 3.990 1.00 0.00 H new ATOM 0 HA SER A 33 -13.937 6.844 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.886 9.218 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.941 8.324 1.488 1.00 0.00 H new ATOM 0 HG SER A 33 -15.109 9.839 2.804 1.00 0.00 H new ATOM 514 N LEU A 34 -11.843 5.955 1.567 1.00 0.00 N ATOM 515 CA LEU A 34 -11.566 4.975 0.531 1.00 0.00 C ATOM 516 C LEU A 34 -11.764 3.569 1.101 1.00 0.00 C ATOM 517 O LEU A 34 -12.524 2.773 0.549 1.00 0.00 O ATOM 518 CB LEU A 34 -10.179 5.207 -0.069 1.00 0.00 C ATOM 519 CG LEU A 34 -10.147 5.693 -1.520 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.720 6.028 -1.955 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.808 4.676 -2.453 1.00 0.00 C ATOM 0 H LEU A 34 -11.035 6.503 1.862 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.267 5.086 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.655 5.936 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.618 4.275 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.727 6.614 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.726 6.371 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.319 6.814 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.096 5.138 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.772 5.045 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.277 3.726 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.847 4.531 -2.156 1.00 0.00 H new ATOM 533 N ARG A 35 -11.067 3.305 2.195 1.00 0.00 N ATOM 534 CA ARG A 35 -11.156 2.009 2.845 1.00 0.00 C ATOM 535 C ARG A 35 -11.282 0.899 1.800 1.00 0.00 C ATOM 536 O ARG A 35 -12.210 0.094 1.853 1.00 0.00 O ATOM 537 CB ARG A 35 -12.357 1.948 3.791 1.00 0.00 C ATOM 538 CG ARG A 35 -12.141 0.900 4.885 1.00 0.00 C ATOM 539 CD ARG A 35 -12.587 1.432 6.249 1.00 0.00 C ATOM 540 NE ARG A 35 -13.563 0.504 6.859 1.00 0.00 N ATOM 541 CZ ARG A 35 -14.426 0.848 7.825 1.00 0.00 C ATOM 542 NH1 ARG A 35 -14.436 2.102 8.298 1.00 0.00 N ATOM 543 NH2 ARG A 35 -15.276 -0.062 8.321 1.00 0.00 N ATOM 0 H ARG A 35 -10.437 3.967 2.649 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.244 1.866 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.516 2.926 4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.258 1.709 3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.699 -0.004 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.088 0.623 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.723 1.547 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.034 2.420 6.135 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.581 -0.459 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.787 2.794 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.093 2.365 9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.266 -1.017 7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.932 0.201 9.056 1.00 0.00 H new ATOM 557 N ALA A 36 -10.333 0.891 0.875 1.00 0.00 N ATOM 558 CA ALA A 36 -10.326 -0.107 -0.181 1.00 0.00 C ATOM 559 C ALA A 36 -8.899 -0.621 -0.382 1.00 0.00 C ATOM 560 O ALA A 36 -7.936 0.060 -0.035 1.00 0.00 O ATOM 561 CB ALA A 36 -10.913 0.496 -1.459 1.00 0.00 C ATOM 0 H ALA A 36 -9.564 1.560 0.835 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.948 -0.959 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.907 -0.253 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.937 0.819 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.313 1.353 -1.766 1.00 0.00 H new ATOM 567 N VAL A 37 -8.809 -1.818 -0.943 1.00 0.00 N ATOM 568 CA VAL A 37 -7.515 -2.430 -1.194 1.00 0.00 C ATOM 569 C VAL A 37 -7.093 -2.148 -2.637 1.00 0.00 C ATOM 570 O VAL A 37 -7.824 -2.466 -3.574 1.00 0.00 O ATOM 571 CB VAL A 37 -7.572 -3.925 -0.869 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.197 -4.163 0.507 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.327 -4.693 -1.954 1.00 0.00 C ATOM 0 H VAL A 37 -9.610 -2.380 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.755 -1.997 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.549 -4.302 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.226 -5.233 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.600 -3.662 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.211 -3.764 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.353 -5.752 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.346 -4.312 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.821 -4.563 -2.911 1.00 0.00 H new ATOM 583 N ILE A 38 -5.917 -1.554 -2.771 1.00 0.00 N ATOM 584 CA ILE A 38 -5.389 -1.225 -4.084 1.00 0.00 C ATOM 585 C ILE A 38 -4.361 -2.281 -4.495 1.00 0.00 C ATOM 586 O ILE A 38 -3.298 -2.387 -3.887 1.00 0.00 O ATOM 587 CB ILE A 38 -4.843 0.204 -4.100 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.934 1.212 -3.732 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.194 0.527 -5.447 1.00 0.00 C ATOM 590 CD1 ILE A 38 -7.178 1.016 -4.601 1.00 0.00 C ATOM 0 H ILE A 38 -5.314 -1.292 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.184 -1.246 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.065 0.281 -3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.199 1.099 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.554 2.226 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.814 1.549 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.371 -0.164 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.934 0.427 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.938 1.745 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.915 1.154 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.569 0.009 -4.455 1.00 0.00 H new ATOM 602 N PHE A 39 -4.715 -3.037 -5.525 1.00 0.00 N ATOM 603 CA PHE A 39 -3.836 -4.080 -6.024 1.00 0.00 C ATOM 604 C PHE A 39 -3.036 -3.592 -7.233 1.00 0.00 C ATOM 605 O PHE A 39 -3.613 -3.207 -8.249 1.00 0.00 O ATOM 606 CB PHE A 39 -4.727 -5.248 -6.454 1.00 0.00 C ATOM 607 CG PHE A 39 -5.220 -6.115 -5.295 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.330 -6.625 -4.402 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.548 -6.377 -5.158 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.787 -7.431 -3.325 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.005 -7.183 -4.081 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.115 -7.693 -3.188 1.00 0.00 C ATOM 0 H PHE A 39 -5.598 -2.947 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.128 -4.372 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.589 -4.854 -6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.174 -5.875 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.276 -6.417 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.254 -5.972 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.081 -7.836 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.059 -7.391 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.463 -8.306 -2.370 1.00 0.00 H new ATOM 622 N ILE A 40 -1.719 -3.623 -7.083 1.00 0.00 N ATOM 623 CA ILE A 40 -0.835 -3.188 -8.151 1.00 0.00 C ATOM 624 C ILE A 40 -0.170 -4.411 -8.786 1.00 0.00 C ATOM 625 O ILE A 40 0.228 -5.340 -8.085 1.00 0.00 O ATOM 626 CB ILE A 40 0.160 -2.148 -7.631 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.532 -1.139 -6.713 1.00 0.00 C ATOM 628 CG2 ILE A 40 0.892 -1.464 -8.787 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.472 -0.127 -6.156 1.00 0.00 C ATOM 0 H ILE A 40 -1.244 -3.942 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.402 -2.689 -8.937 1.00 0.00 H new ATOM 0 HB ILE A 40 0.912 -2.663 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.313 -0.616 -7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.019 -1.664 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.593 -0.730 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.437 -2.210 -9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.168 -0.964 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.045 0.579 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.238 -0.651 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.939 0.413 -6.980 1.00 0.00 H new ATOM 641 N THR A 41 -0.071 -4.371 -10.107 1.00 0.00 N ATOM 642 CA THR A 41 0.538 -5.465 -10.845 1.00 0.00 C ATOM 643 C THR A 41 1.990 -5.130 -11.191 1.00 0.00 C ATOM 644 O THR A 41 2.422 -3.989 -11.035 1.00 0.00 O ATOM 645 CB THR A 41 -0.330 -5.749 -12.072 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.564 -4.461 -12.637 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.726 -6.250 -11.698 1.00 0.00 C ATOM 0 H THR A 41 -0.402 -3.599 -10.685 1.00 0.00 H new ATOM 0 HA THR A 41 0.581 -6.373 -10.244 1.00 0.00 H new ATOM 0 HB THR A 41 0.164 -6.488 -12.703 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.437 -4.128 -12.341 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.301 -6.436 -12.605 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.640 -7.174 -11.127 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.233 -5.497 -11.095 1.00 0.00 H new ATOM 655 N LYS A 42 2.704 -6.144 -11.657 1.00 0.00 N ATOM 656 CA LYS A 42 4.098 -5.973 -12.028 1.00 0.00 C ATOM 657 C LYS A 42 4.181 -5.127 -13.300 1.00 0.00 C ATOM 658 O LYS A 42 5.242 -4.600 -13.631 1.00 0.00 O ATOM 659 CB LYS A 42 4.793 -7.331 -12.144 1.00 0.00 C ATOM 660 CG LYS A 42 4.139 -8.190 -13.228 1.00 0.00 C ATOM 661 CD LYS A 42 3.804 -9.585 -12.692 1.00 0.00 C ATOM 662 CE LYS A 42 2.519 -9.558 -11.862 1.00 0.00 C ATOM 663 NZ LYS A 42 1.358 -9.212 -12.713 1.00 0.00 N ATOM 0 H LYS A 42 2.342 -7.089 -11.786 1.00 0.00 H new ATOM 0 HA LYS A 42 4.637 -5.433 -11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.848 -7.185 -12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.747 -7.850 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.230 -7.705 -13.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.809 -8.276 -14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.690 -10.280 -13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.629 -9.952 -12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.359 -10.531 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.615 -8.831 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.653 -8.699 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.672 -8.611 -13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.932 -10.083 -13.090 1.00 0.00 H new ATOM 677 N ARG A 43 3.049 -5.026 -13.981 1.00 0.00 N ATOM 678 CA ARG A 43 2.982 -4.254 -15.211 1.00 0.00 C ATOM 679 C ARG A 43 2.821 -2.766 -14.895 1.00 0.00 C ATOM 680 O ARG A 43 3.068 -1.916 -15.749 1.00 0.00 O ATOM 681 CB ARG A 43 1.812 -4.712 -16.085 1.00 0.00 C ATOM 682 CG ARG A 43 2.306 -5.202 -17.447 1.00 0.00 C ATOM 683 CD ARG A 43 1.630 -6.519 -17.834 1.00 0.00 C ATOM 684 NE ARG A 43 2.643 -7.492 -18.299 1.00 0.00 N ATOM 685 CZ ARG A 43 2.361 -8.589 -19.013 1.00 0.00 C ATOM 686 NH1 ARG A 43 1.092 -8.862 -19.347 1.00 0.00 N ATOM 687 NH2 ARG A 43 3.345 -9.415 -19.392 1.00 0.00 N ATOM 0 H ARG A 43 2.171 -5.466 -13.705 1.00 0.00 H new ATOM 0 HA ARG A 43 3.913 -4.415 -15.755 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.268 -5.512 -15.582 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.112 -3.888 -16.223 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.100 -4.447 -18.206 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.387 -5.339 -17.418 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.090 -6.925 -16.979 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.896 -6.343 -18.620 1.00 0.00 H new ATOM 0 HE ARG A 43 3.619 -7.316 -18.060 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.342 -8.234 -19.057 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.876 -9.697 -19.891 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.311 -9.209 -19.137 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.129 -10.250 -19.936 1.00 0.00 H new ATOM 701 N GLY A 44 2.408 -2.496 -13.665 1.00 0.00 N ATOM 702 CA GLY A 44 2.211 -1.124 -13.226 1.00 0.00 C ATOM 703 C GLY A 44 0.724 -0.773 -13.175 1.00 0.00 C ATOM 704 O GLY A 44 0.357 0.344 -12.811 1.00 0.00 O ATOM 0 H GLY A 44 2.204 -3.203 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.655 -0.987 -12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.726 -0.444 -13.905 1.00 0.00 H new ATOM 708 N LEU A 45 -0.096 -1.747 -13.546 1.00 0.00 N ATOM 709 CA LEU A 45 -1.535 -1.555 -13.547 1.00 0.00 C ATOM 710 C LEU A 45 -2.069 -1.722 -12.122 1.00 0.00 C ATOM 711 O LEU A 45 -1.972 -2.802 -11.542 1.00 0.00 O ATOM 712 CB LEU A 45 -2.199 -2.484 -14.565 1.00 0.00 C ATOM 713 CG LEU A 45 -2.580 -1.849 -15.904 1.00 0.00 C ATOM 714 CD1 LEU A 45 -1.689 -2.373 -17.032 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.066 -2.053 -16.205 1.00 0.00 C ATOM 0 H LEU A 45 0.211 -2.672 -13.848 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.784 -0.542 -13.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.525 -3.318 -14.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.099 -2.901 -14.114 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.411 -0.775 -15.833 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.981 -1.906 -17.973 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.648 -2.133 -16.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.803 -3.454 -17.113 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.310 -1.592 -17.162 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.285 -3.120 -16.250 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.663 -1.593 -15.418 1.00 0.00 H new ATOM 727 N LYS A 46 -2.621 -0.636 -11.600 1.00 0.00 N ATOM 728 CA LYS A 46 -3.170 -0.648 -10.256 1.00 0.00 C ATOM 729 C LYS A 46 -4.698 -0.672 -10.333 1.00 0.00 C ATOM 730 O LYS A 46 -5.293 0.035 -11.144 1.00 0.00 O ATOM 731 CB LYS A 46 -2.614 0.519 -9.438 1.00 0.00 C ATOM 732 CG LYS A 46 -3.368 1.814 -9.750 1.00 0.00 C ATOM 733 CD LYS A 46 -2.704 3.013 -9.068 1.00 0.00 C ATOM 734 CE LYS A 46 -2.602 2.796 -7.557 1.00 0.00 C ATOM 735 NZ LYS A 46 -2.779 4.076 -6.836 1.00 0.00 N ATOM 0 H LYS A 46 -2.699 0.258 -12.085 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.863 -1.551 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.695 0.294 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.554 0.649 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.394 1.973 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.402 1.727 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.709 3.168 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.279 3.916 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.360 2.082 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.632 2.364 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.623 3.926 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.094 4.773 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.745 4.430 -6.989 1.00 0.00 H new ATOM 749 N VAL A 47 -5.289 -1.493 -9.479 1.00 0.00 N ATOM 750 CA VAL A 47 -6.737 -1.619 -9.440 1.00 0.00 C ATOM 751 C VAL A 47 -7.213 -1.532 -7.988 1.00 0.00 C ATOM 752 O VAL A 47 -6.403 -1.547 -7.063 1.00 0.00 O ATOM 753 CB VAL A 47 -7.168 -2.912 -10.134 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.244 -4.071 -9.138 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.502 -2.726 -10.861 1.00 0.00 C ATOM 0 H VAL A 47 -4.792 -2.078 -8.808 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.207 -0.801 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.412 -3.160 -10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.553 -4.978 -9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.264 -4.227 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.969 -3.835 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.785 -3.660 -11.346 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.271 -2.442 -10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.401 -1.943 -11.613 1.00 0.00 H new ATOM 765 N CYS A 48 -8.526 -1.442 -7.835 1.00 0.00 N ATOM 766 CA CYS A 48 -9.120 -1.352 -6.512 1.00 0.00 C ATOM 767 C CYS A 48 -9.988 -2.594 -6.290 1.00 0.00 C ATOM 768 O CYS A 48 -10.476 -3.193 -7.246 1.00 0.00 O ATOM 769 CB CYS A 48 -9.920 -0.060 -6.338 1.00 0.00 C ATOM 770 SG CYS A 48 -9.230 1.393 -7.211 1.00 0.00 S ATOM 0 H CYS A 48 -9.195 -1.429 -8.605 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.333 -1.319 -5.759 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.937 -0.229 -6.691 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.985 0.170 -5.275 1.00 0.00 H new ATOM 775 N ALA A 49 -10.151 -2.942 -5.022 1.00 0.00 N ATOM 776 CA ALA A 49 -10.950 -4.101 -4.662 1.00 0.00 C ATOM 777 C ALA A 49 -11.517 -3.907 -3.255 1.00 0.00 C ATOM 778 O ALA A 49 -10.948 -3.172 -2.448 1.00 0.00 O ATOM 779 CB ALA A 49 -10.096 -5.366 -4.777 1.00 0.00 C ATOM 0 H ALA A 49 -9.744 -2.442 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.792 -4.213 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.695 -6.235 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.742 -5.474 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.242 -5.291 -4.104 1.00 0.00 H new ATOM 785 N ASP A 50 -12.630 -4.579 -3.001 1.00 0.00 N ATOM 786 CA ASP A 50 -13.280 -4.490 -1.705 1.00 0.00 C ATOM 787 C ASP A 50 -12.646 -5.503 -0.750 1.00 0.00 C ATOM 788 O ASP A 50 -12.518 -6.679 -1.083 1.00 0.00 O ATOM 789 CB ASP A 50 -14.772 -4.812 -1.813 1.00 0.00 C ATOM 790 CG ASP A 50 -15.699 -3.595 -1.812 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.781 -2.944 -0.748 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.305 -3.342 -2.875 1.00 0.00 O ATOM 0 H ASP A 50 -13.099 -5.188 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.157 -3.472 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.941 -5.377 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.049 -5.461 -0.982 1.00 0.00 H new ATOM 797 N PRO A 51 -12.254 -4.994 0.449 1.00 0.00 N ATOM 798 CA PRO A 51 -11.636 -5.841 1.455 1.00 0.00 C ATOM 799 C PRO A 51 -12.676 -6.735 2.134 1.00 0.00 C ATOM 800 O PRO A 51 -12.353 -7.476 3.061 1.00 0.00 O ATOM 801 CB PRO A 51 -10.959 -4.879 2.418 1.00 0.00 C ATOM 802 CG PRO A 51 -11.610 -3.526 2.181 1.00 0.00 C ATOM 803 CD PRO A 51 -12.389 -3.605 0.878 1.00 0.00 C ATOM 0 HA PRO A 51 -10.910 -6.536 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.093 -5.201 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.885 -4.834 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.274 -3.272 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.854 -2.743 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.435 -3.336 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.985 -2.919 0.133 1.00 0.00 H new ATOM 811 N GLN A 52 -13.904 -6.635 1.645 1.00 0.00 N ATOM 812 CA GLN A 52 -14.993 -7.425 2.194 1.00 0.00 C ATOM 813 C GLN A 52 -14.966 -8.841 1.614 1.00 0.00 C ATOM 814 O GLN A 52 -15.614 -9.744 2.141 1.00 0.00 O ATOM 815 CB GLN A 52 -16.342 -6.752 1.936 1.00 0.00 C ATOM 816 CG GLN A 52 -17.343 -7.087 3.044 1.00 0.00 C ATOM 817 CD GLN A 52 -17.618 -5.863 3.921 1.00 0.00 C ATOM 818 OE1 GLN A 52 -16.767 -5.389 4.655 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.852 -5.381 3.804 1.00 0.00 N ATOM 0 H GLN A 52 -14.168 -6.020 0.876 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.859 -7.493 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.208 -5.672 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.737 -7.078 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.275 -7.440 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.953 -7.899 3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.516 -5.826 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.135 -4.566 4.348 1.00 0.00 H new ATOM 828 N ALA A 53 -14.210 -8.990 0.536 1.00 0.00 N ATOM 829 CA ALA A 53 -14.091 -10.281 -0.121 1.00 0.00 C ATOM 830 C ALA A 53 -13.029 -11.117 0.594 1.00 0.00 C ATOM 831 O ALA A 53 -11.956 -10.612 0.925 1.00 0.00 O ATOM 832 CB ALA A 53 -13.768 -10.071 -1.603 1.00 0.00 C ATOM 0 H ALA A 53 -13.674 -8.239 0.101 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.032 -10.828 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.679 -11.039 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.567 -9.497 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.828 -9.528 -1.697 1.00 0.00 H new ATOM 838 N THR A 54 -13.363 -12.380 0.812 1.00 0.00 N ATOM 839 CA THR A 54 -12.450 -13.291 1.484 1.00 0.00 C ATOM 840 C THR A 54 -11.255 -13.606 0.582 1.00 0.00 C ATOM 841 O THR A 54 -10.119 -13.667 1.051 1.00 0.00 O ATOM 842 CB THR A 54 -13.242 -14.531 1.900 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.935 -14.122 3.077 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.338 -15.670 2.377 1.00 0.00 C ATOM 0 H THR A 54 -14.253 -12.795 0.536 1.00 0.00 H new ATOM 0 HA THR A 54 -12.029 -12.841 2.383 1.00 0.00 H new ATOM 0 HB THR A 54 -13.846 -14.874 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.476 -14.867 3.414 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.950 -16.526 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.661 -15.958 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.758 -15.338 3.238 1.00 0.00 H new ATOM 852 N TRP A 55 -11.552 -13.802 -0.694 1.00 0.00 N ATOM 853 CA TRP A 55 -10.516 -14.111 -1.665 1.00 0.00 C ATOM 854 C TRP A 55 -9.530 -12.941 -1.693 1.00 0.00 C ATOM 855 O TRP A 55 -8.319 -13.146 -1.744 1.00 0.00 O ATOM 856 CB TRP A 55 -11.122 -14.414 -3.037 1.00 0.00 C ATOM 857 CG TRP A 55 -11.469 -13.169 -3.853 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.626 -12.493 -3.876 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.599 -12.472 -4.771 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.567 -11.416 -4.737 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.295 -11.403 -5.299 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.269 -12.736 -5.142 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.743 -10.514 -6.229 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.733 -11.838 -6.072 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.419 -10.757 -6.613 1.00 0.00 C ATOM 0 H TRP A 55 -12.496 -13.753 -1.078 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.977 -15.014 -1.379 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.421 -15.024 -3.606 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.025 -15.009 -2.900 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.496 -12.758 -3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.318 -10.752 -4.926 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.706 -13.566 -4.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.308 -9.685 -6.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.714 -11.996 -6.392 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.933 -10.108 -7.326 1.00 0.00 H new ATOM 876 N VAL A 56 -10.087 -11.739 -1.658 1.00 0.00 N ATOM 877 CA VAL A 56 -9.272 -10.536 -1.679 1.00 0.00 C ATOM 878 C VAL A 56 -8.311 -10.555 -0.489 1.00 0.00 C ATOM 879 O VAL A 56 -7.113 -10.325 -0.649 1.00 0.00 O ATOM 880 CB VAL A 56 -10.169 -9.297 -1.702 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.371 -8.036 -1.364 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.871 -9.154 -3.054 1.00 0.00 C ATOM 0 H VAL A 56 -11.092 -11.573 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.667 -10.501 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.935 -9.424 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.032 -7.170 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.938 -8.135 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.573 -7.903 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.502 -8.266 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.125 -9.060 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.486 -10.034 -3.239 1.00 0.00 H new ATOM 892 N ARG A 57 -8.871 -10.833 0.680 1.00 0.00 N ATOM 893 CA ARG A 57 -8.079 -10.885 1.896 1.00 0.00 C ATOM 894 C ARG A 57 -7.121 -12.078 1.855 1.00 0.00 C ATOM 895 O ARG A 57 -6.015 -12.010 2.390 1.00 0.00 O ATOM 896 CB ARG A 57 -8.974 -11.002 3.132 1.00 0.00 C ATOM 897 CG ARG A 57 -8.809 -9.786 4.045 1.00 0.00 C ATOM 898 CD ARG A 57 -10.092 -9.513 4.831 1.00 0.00 C ATOM 899 NE ARG A 57 -9.806 -9.513 6.284 1.00 0.00 N ATOM 900 CZ ARG A 57 -9.732 -10.620 7.035 1.00 0.00 C ATOM 901 NH1 ARG A 57 -9.923 -11.823 6.476 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.467 -10.524 8.345 1.00 0.00 N ATOM 0 H ARG A 57 -9.864 -11.025 0.810 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.509 -9.958 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.016 -11.091 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.725 -11.910 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.984 -9.955 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.551 -8.911 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.512 -8.552 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.839 -10.272 4.599 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.656 -8.614 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.125 -11.896 5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.867 -12.666 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.322 -9.608 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.411 -11.367 8.917 1.00 0.00 H new ATOM 916 N ASP A 58 -7.579 -13.143 1.214 1.00 0.00 N ATOM 917 CA ASP A 58 -6.777 -14.347 1.094 1.00 0.00 C ATOM 918 C ASP A 58 -5.535 -14.048 0.252 1.00 0.00 C ATOM 919 O ASP A 58 -4.425 -14.426 0.621 1.00 0.00 O ATOM 920 CB ASP A 58 -7.560 -15.465 0.401 1.00 0.00 C ATOM 921 CG ASP A 58 -7.617 -16.787 1.170 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.535 -17.387 1.349 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.742 -17.168 1.561 1.00 0.00 O ATOM 0 H ASP A 58 -8.497 -13.196 0.772 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.502 -14.668 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.579 -15.120 0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.113 -15.649 -0.576 1.00 0.00 H new ATOM 928 N VAL A 59 -5.765 -13.371 -0.863 1.00 0.00 N ATOM 929 CA VAL A 59 -4.679 -13.015 -1.761 1.00 0.00 C ATOM 930 C VAL A 59 -3.796 -11.960 -1.092 1.00 0.00 C ATOM 931 O VAL A 59 -2.578 -11.966 -1.265 1.00 0.00 O ATOM 932 CB VAL A 59 -5.242 -12.558 -3.108 1.00 0.00 C ATOM 933 CG1 VAL A 59 -6.056 -13.672 -3.768 1.00 0.00 C ATOM 934 CG2 VAL A 59 -6.079 -11.287 -2.949 1.00 0.00 C ATOM 0 H VAL A 59 -6.688 -13.059 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.051 -13.882 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.401 -12.326 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.445 -13.321 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.418 -14.540 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.886 -13.950 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.468 -10.983 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.910 -11.481 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.457 -10.490 -2.542 1.00 0.00 H new ATOM 944 N VAL A 60 -4.444 -11.079 -0.344 1.00 0.00 N ATOM 945 CA VAL A 60 -3.732 -10.021 0.350 1.00 0.00 C ATOM 946 C VAL A 60 -2.673 -10.638 1.265 1.00 0.00 C ATOM 947 O VAL A 60 -1.554 -10.135 1.355 1.00 0.00 O ATOM 948 CB VAL A 60 -4.723 -9.129 1.101 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.066 -8.487 2.325 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.313 -8.064 0.174 1.00 0.00 C ATOM 0 H VAL A 60 -5.454 -11.077 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.212 -9.380 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.541 -9.759 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.792 -7.858 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.717 -9.267 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.220 -7.878 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.014 -7.444 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.511 -7.440 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.835 -8.549 -0.651 1.00 0.00 H new ATOM 960 N ARG A 61 -3.063 -11.720 1.923 1.00 0.00 N ATOM 961 CA ARG A 61 -2.161 -12.412 2.827 1.00 0.00 C ATOM 962 C ARG A 61 -0.921 -12.897 2.073 1.00 0.00 C ATOM 963 O ARG A 61 0.202 -12.735 2.548 1.00 0.00 O ATOM 964 CB ARG A 61 -2.850 -13.610 3.483 1.00 0.00 C ATOM 965 CG ARG A 61 -2.229 -13.922 4.847 1.00 0.00 C ATOM 966 CD ARG A 61 -1.003 -14.825 4.697 1.00 0.00 C ATOM 967 NE ARG A 61 -1.049 -15.910 5.702 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.699 -17.069 5.529 1.00 0.00 C ATOM 969 NH1 ARG A 61 -2.364 -17.299 4.389 1.00 0.00 N ATOM 970 NH2 ARG A 61 -1.687 -17.996 6.497 1.00 0.00 N ATOM 0 H ARG A 61 -3.992 -12.134 1.848 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.866 -11.706 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.913 -13.402 3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.767 -14.482 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.943 -12.994 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.968 -14.408 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.974 -15.249 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.092 -14.240 4.823 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.554 -15.767 6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.375 -16.592 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.859 -18.181 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.183 -17.819 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.182 -18.878 6.365 1.00 0.00 H new ATOM 984 N SER A 62 -1.166 -13.481 0.909 1.00 0.00 N ATOM 985 CA SER A 62 -0.084 -13.991 0.085 1.00 0.00 C ATOM 986 C SER A 62 0.665 -12.828 -0.572 1.00 0.00 C ATOM 987 O SER A 62 1.889 -12.863 -0.692 1.00 0.00 O ATOM 988 CB SER A 62 -0.609 -14.954 -0.981 1.00 0.00 C ATOM 989 OG SER A 62 0.325 -15.988 -1.273 1.00 0.00 O ATOM 0 H SER A 62 -2.099 -13.612 0.517 1.00 0.00 H new ATOM 0 HA SER A 62 0.603 -14.543 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.545 -15.397 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.832 -14.399 -1.892 1.00 0.00 H new ATOM 0 HG SER A 62 -0.048 -16.583 -1.957 1.00 0.00 H new ATOM 995 N MET A 63 -0.102 -11.828 -0.979 1.00 0.00 N ATOM 996 CA MET A 63 0.474 -10.658 -1.621 1.00 0.00 C ATOM 997 C MET A 63 1.734 -10.195 -0.888 1.00 0.00 C ATOM 998 O MET A 63 2.700 -9.765 -1.517 1.00 0.00 O ATOM 999 CB MET A 63 -0.555 -9.526 -1.635 1.00 0.00 C ATOM 1000 CG MET A 63 -1.471 -9.631 -2.855 1.00 0.00 C ATOM 1001 SD MET A 63 -0.508 -9.507 -4.354 1.00 0.00 S ATOM 1002 CE MET A 63 0.393 -8.003 -4.019 1.00 0.00 C ATOM 0 H MET A 63 -1.117 -11.803 -0.877 1.00 0.00 H new ATOM 0 HA MET A 63 0.748 -10.924 -2.642 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.152 -9.562 -0.724 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.042 -8.564 -1.643 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.009 -10.579 -2.836 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.220 -8.839 -2.827 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.747 -7.575 -4.957 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.262 -7.290 -3.519 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.245 -8.225 -3.377 1.00 0.00 H new ATOM 1012 N ASP A 64 1.685 -10.298 0.432 1.00 0.00 N ATOM 1013 CA ASP A 64 2.810 -9.895 1.258 1.00 0.00 C ATOM 1014 C ASP A 64 4.050 -10.688 0.841 1.00 0.00 C ATOM 1015 O ASP A 64 5.150 -10.139 0.777 1.00 0.00 O ATOM 1016 CB ASP A 64 2.539 -10.182 2.735 1.00 0.00 C ATOM 1017 CG ASP A 64 3.299 -9.286 3.717 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.103 -8.463 3.229 1.00 0.00 O ATOM 1019 OD2 ASP A 64 3.059 -9.447 4.933 1.00 0.00 O ATOM 0 H ASP A 64 0.882 -10.655 0.950 1.00 0.00 H new ATOM 0 HA ASP A 64 2.964 -8.824 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.470 -10.075 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.796 -11.221 2.941 1.00 0.00 H new ATOM 1024 N ARG A 65 3.834 -11.967 0.570 1.00 0.00 N ATOM 1025 CA ARG A 65 4.921 -12.840 0.163 1.00 0.00 C ATOM 1026 C ARG A 65 5.397 -12.474 -1.244 1.00 0.00 C ATOM 1027 O ARG A 65 6.596 -12.489 -1.521 1.00 0.00 O ATOM 1028 CB ARG A 65 4.485 -14.307 0.182 1.00 0.00 C ATOM 1029 CG ARG A 65 5.385 -15.157 -0.717 1.00 0.00 C ATOM 1030 CD ARG A 65 5.528 -16.577 -0.165 1.00 0.00 C ATOM 1031 NE ARG A 65 6.645 -16.633 0.803 1.00 0.00 N ATOM 1032 CZ ARG A 65 6.791 -17.591 1.729 1.00 0.00 C ATOM 1033 NH1 ARG A 65 5.888 -18.579 1.818 1.00 0.00 N ATOM 1034 NH2 ARG A 65 7.836 -17.562 2.565 1.00 0.00 N ATOM 0 H ARG A 65 2.921 -12.419 0.625 1.00 0.00 H new ATOM 0 HA ARG A 65 5.738 -12.706 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.521 -14.688 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.451 -14.387 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.968 -15.195 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.368 -14.693 -0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.601 -16.883 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.708 -17.277 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 65 7.349 -15.896 0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.091 -18.601 1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.998 -19.309 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.522 -16.810 2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.946 -18.292 3.269 1.00 0.00 H new ATOM 1048 N LYS A 66 4.433 -12.155 -2.096 1.00 0.00 N ATOM 1049 CA LYS A 66 4.739 -11.786 -3.467 1.00 0.00 C ATOM 1050 C LYS A 66 5.633 -10.544 -3.470 1.00 0.00 C ATOM 1051 O LYS A 66 6.520 -10.415 -4.312 1.00 0.00 O ATOM 1052 CB LYS A 66 3.452 -11.618 -4.277 1.00 0.00 C ATOM 1053 CG LYS A 66 3.280 -12.762 -5.277 1.00 0.00 C ATOM 1054 CD LYS A 66 2.390 -13.865 -4.701 1.00 0.00 C ATOM 1055 CE LYS A 66 3.110 -14.621 -3.581 1.00 0.00 C ATOM 1056 NZ LYS A 66 3.297 -16.041 -3.952 1.00 0.00 N ATOM 0 H LYS A 66 3.440 -12.145 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 66 5.297 -12.582 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.596 -11.587 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.474 -10.666 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.842 -12.381 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.256 -13.174 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.468 -13.430 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.109 -14.560 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.078 -14.159 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.533 -14.553 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.787 -16.539 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.369 -16.482 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.866 -16.101 -4.820 1.00 0.00 H new ATOM 1070 N SER A 67 5.370 -9.663 -2.517 1.00 0.00 N ATOM 1071 CA SER A 67 6.140 -8.436 -2.398 1.00 0.00 C ATOM 1072 C SER A 67 6.599 -8.244 -0.951 1.00 0.00 C ATOM 1073 O SER A 67 6.415 -7.173 -0.375 1.00 0.00 O ATOM 1074 CB SER A 67 5.324 -7.228 -2.861 1.00 0.00 C ATOM 1075 OG SER A 67 6.104 -6.034 -2.882 1.00 0.00 O ATOM 0 H SER A 67 4.634 -9.774 -1.819 1.00 0.00 H new ATOM 0 HA SER A 67 7.016 -8.518 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.927 -7.419 -3.858 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.470 -7.092 -2.198 1.00 0.00 H new ATOM 0 HG SER A 67 6.521 -5.900 -2.005 1.00 0.00 H new ATOM 1081 N ASN A 68 7.187 -9.298 -0.406 1.00 0.00 N ATOM 1082 CA ASN A 68 7.674 -9.259 0.963 1.00 0.00 C ATOM 1083 C ASN A 68 9.077 -8.649 0.983 1.00 0.00 C ATOM 1084 O ASN A 68 9.319 -7.662 1.675 1.00 0.00 O ATOM 1085 CB ASN A 68 7.761 -10.667 1.558 1.00 0.00 C ATOM 1086 CG ASN A 68 6.849 -10.803 2.779 1.00 0.00 C ATOM 1087 OD1 ASN A 68 5.848 -11.500 2.764 1.00 0.00 O ATOM 1088 ND2 ASN A 68 7.251 -10.100 3.835 1.00 0.00 N ATOM 0 H ASN A 68 7.338 -10.185 -0.887 1.00 0.00 H new ATOM 0 HA ASN A 68 6.978 -8.662 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.478 -11.402 0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.791 -10.882 1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.711 -10.125 4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.100 -9.537 3.780 1.00 0.00 H new ATOM 1095 N THR A 69 9.966 -9.265 0.218 1.00 0.00 N ATOM 1096 CA THR A 69 11.338 -8.796 0.139 1.00 0.00 C ATOM 1097 C THR A 69 11.496 -7.795 -1.008 1.00 0.00 C ATOM 1098 O THR A 69 12.152 -6.767 -0.854 1.00 0.00 O ATOM 1099 CB THR A 69 12.249 -10.018 0.007 1.00 0.00 C ATOM 1100 OG1 THR A 69 12.517 -10.399 1.355 1.00 0.00 O ATOM 1101 CG2 THR A 69 13.626 -9.664 -0.560 1.00 0.00 C ATOM 0 H THR A 69 9.762 -10.085 -0.353 1.00 0.00 H new ATOM 0 HA THR A 69 11.622 -8.256 1.042 1.00 0.00 H new ATOM 0 HB THR A 69 11.771 -10.758 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.101 -11.186 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.232 -10.567 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.510 -9.224 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.118 -8.949 0.099 1.00 0.00 H new ATOM 1109 N ARG A 70 10.880 -8.131 -2.132 1.00 0.00 N ATOM 1110 CA ARG A 70 10.943 -7.274 -3.305 1.00 0.00 C ATOM 1111 C ARG A 70 10.753 -5.810 -2.903 1.00 0.00 C ATOM 1112 O ARG A 70 11.275 -4.910 -3.559 1.00 0.00 O ATOM 1113 CB ARG A 70 9.871 -7.659 -4.326 1.00 0.00 C ATOM 1114 CG ARG A 70 10.451 -7.697 -5.741 1.00 0.00 C ATOM 1115 CD ARG A 70 9.956 -6.509 -6.569 1.00 0.00 C ATOM 1116 NE ARG A 70 10.492 -6.592 -7.945 1.00 0.00 N ATOM 1117 CZ ARG A 70 9.978 -7.372 -8.906 1.00 0.00 C ATOM 1118 NH1 ARG A 70 8.912 -8.141 -8.645 1.00 0.00 N ATOM 1119 NH2 ARG A 70 10.530 -7.384 -10.126 1.00 0.00 N ATOM 0 H ARG A 70 10.335 -8.984 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 70 11.925 -7.405 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.456 -8.635 -4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.050 -6.943 -4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.540 -7.682 -5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.167 -8.629 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.866 -6.502 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.270 -5.575 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 70 11.304 -6.020 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.492 -8.132 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.520 -8.735 -9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.342 -6.799 -10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.138 -7.978 -10.857 1.00 0.00 H new ATOM 1133 N ASN A 71 10.004 -5.617 -1.827 1.00 0.00 N ATOM 1134 CA ASN A 71 9.739 -4.278 -1.331 1.00 0.00 C ATOM 1135 C ASN A 71 11.030 -3.683 -0.765 1.00 0.00 C ATOM 1136 O ASN A 71 11.491 -2.640 -1.227 1.00 0.00 O ATOM 1137 CB ASN A 71 8.699 -4.302 -0.208 1.00 0.00 C ATOM 1138 CG ASN A 71 7.825 -3.047 -0.242 1.00 0.00 C ATOM 1139 OD1 ASN A 71 7.726 -2.355 -1.242 1.00 0.00 O ATOM 1140 ND2 ASN A 71 7.198 -2.793 0.902 1.00 0.00 N ATOM 0 H ASN A 71 9.573 -6.366 -1.285 1.00 0.00 H new ATOM 0 HA ASN A 71 9.361 -3.680 -2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.072 -5.188 -0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.202 -4.373 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.590 -1.978 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.325 -3.413 1.702 1.00 0.00 H new ATOM 1147 N ASN A 72 11.577 -4.371 0.225 1.00 0.00 N ATOM 1148 CA ASN A 72 12.806 -3.924 0.858 1.00 0.00 C ATOM 1149 C ASN A 72 14.003 -4.552 0.140 1.00 0.00 C ATOM 1150 O ASN A 72 14.894 -5.107 0.781 1.00 0.00 O ATOM 1151 CB ASN A 72 12.858 -4.352 2.325 1.00 0.00 C ATOM 1152 CG ASN A 72 11.578 -3.947 3.060 1.00 0.00 C ATOM 1153 OD1 ASN A 72 10.470 -4.208 2.621 1.00 0.00 O ATOM 1154 ND2 ASN A 72 11.792 -3.296 4.200 1.00 0.00 N ATOM 0 H ASN A 72 11.192 -5.236 0.605 1.00 0.00 H new ATOM 0 HA ASN A 72 12.839 -2.836 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 72 12.992 -5.432 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 72 13.720 -3.895 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.002 -2.983 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.746 -3.110 4.510 1.00 0.00 H new ATOM 1161 N MET A 73 13.983 -4.445 -1.181 1.00 0.00 N ATOM 1162 CA MET A 73 15.055 -4.996 -1.992 1.00 0.00 C ATOM 1163 C MET A 73 16.158 -3.960 -2.220 1.00 0.00 C ATOM 1164 O MET A 73 15.949 -2.968 -2.917 1.00 0.00 O ATOM 1165 CB MET A 73 14.493 -5.448 -3.341 1.00 0.00 C ATOM 1166 CG MET A 73 14.836 -6.914 -3.614 1.00 0.00 C ATOM 1167 SD MET A 73 15.619 -7.071 -5.211 1.00 0.00 S ATOM 1168 CE MET A 73 17.178 -6.271 -4.873 1.00 0.00 C ATOM 0 H MET A 73 13.242 -3.985 -1.709 1.00 0.00 H new ATOM 0 HA MET A 73 15.485 -5.847 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.411 -5.316 -3.351 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.898 -4.822 -4.136 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.499 -7.292 -2.836 1.00 0.00 H new ATOM 0 HG3 MET A 73 13.930 -7.520 -3.583 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.918 -6.593 -5.605 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.053 -5.190 -4.934 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.516 -6.541 -3.873 1.00 0.00 H new ATOM 1178 N ILE A 74 17.308 -4.226 -1.620 1.00 0.00 N ATOM 1179 CA ILE A 74 18.445 -3.329 -1.748 1.00 0.00 C ATOM 1180 C ILE A 74 19.674 -4.130 -2.184 1.00 0.00 C ATOM 1181 O ILE A 74 19.628 -5.357 -2.248 1.00 0.00 O ATOM 1182 CB ILE A 74 18.652 -2.538 -0.455 1.00 0.00 C ATOM 1183 CG1 ILE A 74 19.164 -3.444 0.665 1.00 0.00 C ATOM 1184 CG2 ILE A 74 17.375 -1.796 -0.056 1.00 0.00 C ATOM 1185 CD1 ILE A 74 18.002 -4.025 1.474 1.00 0.00 C ATOM 0 H ILE A 74 17.478 -5.050 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 74 18.258 -2.585 -2.522 1.00 0.00 H new ATOM 0 HB ILE A 74 19.419 -1.784 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.757 -4.254 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.823 -2.878 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.549 -1.242 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.094 -1.102 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.570 -2.514 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 74 18.393 -4.666 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 74 17.425 -3.213 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.358 -4.611 0.817 1.00 0.00 H new ATOM 1197 N GLN A 75 20.743 -3.401 -2.471 1.00 0.00 N ATOM 1198 CA GLN A 75 21.982 -4.029 -2.898 1.00 0.00 C ATOM 1199 C GLN A 75 23.042 -3.913 -1.801 1.00 0.00 C ATOM 1200 O GLN A 75 24.085 -3.294 -2.002 1.00 0.00 O ATOM 1201 CB GLN A 75 22.482 -3.418 -4.209 1.00 0.00 C ATOM 1202 CG GLN A 75 22.881 -1.954 -4.015 1.00 0.00 C ATOM 1203 CD GLN A 75 24.260 -1.675 -4.615 1.00 0.00 C ATOM 1204 OE1 GLN A 75 25.096 -2.554 -4.748 1.00 0.00 O ATOM 1205 NE2 GLN A 75 24.450 -0.408 -4.969 1.00 0.00 N ATOM 0 H GLN A 75 20.777 -2.383 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 75 21.787 -5.086 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 75 23.337 -3.986 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 75 21.703 -3.489 -4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 75 22.140 -1.307 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 75 22.888 -1.714 -2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 75 23.707 0.277 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 75 25.338 -0.121 -5.380 1.00 0.00 H new ATOM 1214 N THR A 76 22.736 -4.519 -0.662 1.00 0.00 N ATOM 1215 CA THR A 76 23.649 -4.492 0.468 1.00 0.00 C ATOM 1216 C THR A 76 23.642 -5.840 1.192 1.00 0.00 C ATOM 1217 O THR A 76 22.881 -6.037 2.139 1.00 0.00 O ATOM 1218 CB THR A 76 23.255 -3.318 1.366 1.00 0.00 C ATOM 1219 OG1 THR A 76 23.836 -2.184 0.729 1.00 0.00 O ATOM 1220 CG2 THR A 76 23.942 -3.370 2.733 1.00 0.00 C ATOM 0 H THR A 76 21.869 -5.031 -0.498 1.00 0.00 H new ATOM 0 HA THR A 76 24.678 -4.339 0.142 1.00 0.00 H new ATOM 0 HB THR A 76 22.174 -3.313 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.125 -2.429 -0.175 1.00 0.00 H new ATOM 0 HG21 THR A 76 23.628 -2.514 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 76 23.665 -4.292 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.023 -3.341 2.598 1.00 0.00 H new ATOM 1228 N LYS A 77 24.497 -6.734 0.720 1.00 0.00 N ATOM 1229 CA LYS A 77 24.598 -8.059 1.310 1.00 0.00 C ATOM 1230 C LYS A 77 25.993 -8.627 1.040 1.00 0.00 C ATOM 1231 O LYS A 77 26.170 -9.443 0.135 1.00 0.00 O ATOM 1232 CB LYS A 77 23.462 -8.955 0.813 1.00 0.00 C ATOM 1233 CG LYS A 77 22.803 -9.699 1.977 1.00 0.00 C ATOM 1234 CD LYS A 77 21.837 -10.770 1.465 1.00 0.00 C ATOM 1235 CE LYS A 77 22.444 -12.167 1.604 1.00 0.00 C ATOM 1236 NZ LYS A 77 22.547 -12.822 0.281 1.00 0.00 N ATOM 0 H LYS A 77 25.127 -6.568 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 77 24.479 -8.005 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.718 -8.351 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.850 -9.673 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 77 23.570 -10.162 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 77 22.266 -8.991 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.902 -10.719 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.595 -10.577 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.432 -12.097 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.829 -12.773 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.961 -13.769 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 21.599 -12.906 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 23.153 -12.251 -0.343 1.00 0.00 H new ATOM 1250 N PRO A 78 26.972 -8.163 1.861 1.00 0.00 N ATOM 1251 CA PRO A 78 28.345 -8.617 1.720 1.00 0.00 C ATOM 1252 C PRO A 78 28.513 -10.036 2.266 1.00 0.00 C ATOM 1253 O PRO A 78 27.968 -10.368 3.318 1.00 0.00 O ATOM 1254 CB PRO A 78 29.177 -7.590 2.470 1.00 0.00 C ATOM 1255 CG PRO A 78 28.211 -6.862 3.390 1.00 0.00 C ATOM 1256 CD PRO A 78 26.798 -7.197 2.942 1.00 0.00 C ATOM 0 HA PRO A 78 28.661 -8.684 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 78 29.971 -8.072 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 78 29.656 -6.896 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 78 28.366 -7.168 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 78 28.380 -5.786 3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 78 26.213 -7.618 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 78 26.270 -6.308 2.597 1.00 0.00 H new ATOM 1264 N THR A 79 29.267 -10.835 1.526 1.00 0.00 N ATOM 1265 CA THR A 79 29.513 -12.211 1.923 1.00 0.00 C ATOM 1266 C THR A 79 30.813 -12.722 1.299 1.00 0.00 C ATOM 1267 O THR A 79 31.642 -11.932 0.848 1.00 0.00 O ATOM 1268 CB THR A 79 28.287 -13.041 1.537 1.00 0.00 C ATOM 1269 OG1 THR A 79 28.575 -14.342 2.044 1.00 0.00 O ATOM 1270 CG2 THR A 79 28.172 -13.247 0.025 1.00 0.00 C ATOM 0 H THR A 79 29.716 -10.556 0.654 1.00 0.00 H new ATOM 0 HA THR A 79 29.653 -12.292 3.001 1.00 0.00 H new ATOM 0 HB THR A 79 27.386 -12.551 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.830 -14.945 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 79 27.286 -13.842 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 79 28.091 -12.279 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 79 29.058 -13.767 -0.340 1.00 0.00 H new ATOM 1278 N GLY A 80 30.952 -14.040 1.293 1.00 0.00 N ATOM 1279 CA GLY A 80 32.138 -14.665 0.733 1.00 0.00 C ATOM 1280 C GLY A 80 33.234 -14.809 1.790 1.00 0.00 C ATOM 1281 O GLY A 80 33.784 -13.813 2.259 1.00 0.00 O ATOM 0 H GLY A 80 30.263 -14.692 1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 80 31.882 -15.646 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 80 32.508 -14.068 -0.101 1.00 0.00 H new ATOM 1285 N THR A 81 33.519 -16.056 2.135 1.00 0.00 N ATOM 1286 CA THR A 81 34.539 -16.343 3.128 1.00 0.00 C ATOM 1287 C THR A 81 35.413 -17.512 2.673 1.00 0.00 C ATOM 1288 O THR A 81 35.156 -18.116 1.632 1.00 0.00 O ATOM 1289 CB THR A 81 33.840 -16.591 4.467 1.00 0.00 C ATOM 1290 OG1 THR A 81 34.762 -17.398 5.195 1.00 0.00 O ATOM 1291 CG2 THR A 81 32.601 -17.477 4.324 1.00 0.00 C ATOM 0 H THR A 81 33.061 -16.879 1.744 1.00 0.00 H new ATOM 0 HA THR A 81 35.218 -15.500 3.251 1.00 0.00 H new ATOM 0 HB THR A 81 33.555 -15.637 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 81 34.390 -17.605 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 81 32.143 -17.622 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 81 31.886 -16.997 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 81 32.891 -18.444 3.912 1.00 0.00 H new ATOM 1299 N GLN A 82 36.429 -17.798 3.474 1.00 0.00 N ATOM 1300 CA GLN A 82 37.343 -18.886 3.166 1.00 0.00 C ATOM 1301 C GLN A 82 38.258 -19.164 4.360 1.00 0.00 C ATOM 1302 O GLN A 82 38.664 -18.241 5.065 1.00 0.00 O ATOM 1303 CB GLN A 82 38.159 -18.576 1.910 1.00 0.00 C ATOM 1304 CG GLN A 82 38.290 -19.815 1.021 1.00 0.00 C ATOM 1305 CD GLN A 82 37.122 -19.910 0.038 1.00 0.00 C ATOM 1306 OE1 GLN A 82 36.582 -18.918 -0.423 1.00 0.00 O ATOM 1307 NE2 GLN A 82 36.761 -21.157 -0.254 1.00 0.00 N ATOM 0 H GLN A 82 36.640 -17.295 4.336 1.00 0.00 H new ATOM 0 HA GLN A 82 36.757 -19.783 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 82 37.681 -17.772 1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 82 39.150 -18.221 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 82 39.230 -19.775 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 82 38.322 -20.711 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 82 37.256 -21.943 0.167 1.00 0.00 H new ATOM 0 HE22 GLN A 82 35.989 -21.327 -0.899 1.00 0.00 H new ATOM 1316 N GLN A 83 38.557 -20.441 4.550 1.00 0.00 N ATOM 1317 CA GLN A 83 39.416 -20.853 5.647 1.00 0.00 C ATOM 1318 C GLN A 83 40.413 -21.912 5.171 1.00 0.00 C ATOM 1319 O GLN A 83 40.082 -22.750 4.333 1.00 0.00 O ATOM 1320 CB GLN A 83 38.591 -21.368 6.827 1.00 0.00 C ATOM 1321 CG GLN A 83 39.482 -21.646 8.040 1.00 0.00 C ATOM 1322 CD GLN A 83 39.676 -20.382 8.880 1.00 0.00 C ATOM 1323 OE1 GLN A 83 38.951 -20.117 9.825 1.00 0.00 O ATOM 1324 NE2 GLN A 83 40.691 -19.620 8.483 1.00 0.00 N ATOM 0 H GLN A 83 38.220 -21.204 3.963 1.00 0.00 H new ATOM 0 HA GLN A 83 39.976 -19.983 5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 83 37.830 -20.634 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 83 38.068 -22.280 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 83 39.034 -22.429 8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 83 40.451 -22.017 7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 83 41.258 -19.902 7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 83 40.903 -18.754 8.978 1.00 0.00 H new ATOM 1333 N SER A 84 41.613 -21.840 5.726 1.00 0.00 N ATOM 1334 CA SER A 84 42.661 -22.782 5.368 1.00 0.00 C ATOM 1335 C SER A 84 43.972 -22.393 6.056 1.00 0.00 C ATOM 1336 O SER A 84 44.172 -21.232 6.407 1.00 0.00 O ATOM 1337 CB SER A 84 42.854 -22.842 3.852 1.00 0.00 C ATOM 1338 OG SER A 84 42.802 -24.178 3.359 1.00 0.00 O ATOM 0 H SER A 84 41.884 -21.144 6.421 1.00 0.00 H new ATOM 0 HA SER A 84 42.360 -23.773 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 84 42.083 -22.246 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 84 43.814 -22.396 3.591 1.00 0.00 H new ATOM 0 HG SER A 84 42.928 -24.173 2.387 1.00 0.00 H new ATOM 1344 N THR A 85 44.830 -23.388 6.228 1.00 0.00 N ATOM 1345 CA THR A 85 46.115 -23.165 6.867 1.00 0.00 C ATOM 1346 C THR A 85 47.174 -24.098 6.276 1.00 0.00 C ATOM 1347 O THR A 85 46.970 -24.680 5.211 1.00 0.00 O ATOM 1348 CB THR A 85 45.930 -23.335 8.376 1.00 0.00 C ATOM 1349 OG1 THR A 85 47.171 -22.907 8.930 1.00 0.00 O ATOM 1350 CG2 THR A 85 45.823 -24.804 8.790 1.00 0.00 C ATOM 0 H THR A 85 44.660 -24.350 5.936 1.00 0.00 H new ATOM 0 HA THR A 85 46.478 -22.154 6.682 1.00 0.00 H new ATOM 0 HB THR A 85 45.034 -22.802 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 85 47.137 -22.983 9.906 1.00 0.00 H new ATOM 0 HG21 THR A 85 45.693 -24.869 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 85 44.967 -25.261 8.293 1.00 0.00 H new ATOM 0 HG23 THR A 85 46.733 -25.330 8.502 1.00 0.00 H new ATOM 1358 N ASN A 86 48.282 -24.213 6.993 1.00 0.00 N ATOM 1359 CA ASN A 86 49.373 -25.066 6.553 1.00 0.00 C ATOM 1360 C ASN A 86 49.224 -26.448 7.193 1.00 0.00 C ATOM 1361 O ASN A 86 48.570 -26.591 8.225 1.00 0.00 O ATOM 1362 CB ASN A 86 50.726 -24.491 6.977 1.00 0.00 C ATOM 1363 CG ASN A 86 50.702 -24.056 8.443 1.00 0.00 C ATOM 1364 OD1 ASN A 86 50.865 -25.053 9.307 1.00 0.00 O flip ATOM 1365 ND2 ASN A 86 50.547 -22.889 8.768 1.00 0.00 N flip ATOM 0 H ASN A 86 48.448 -23.730 7.876 1.00 0.00 H new ATOM 0 HA ASN A 86 49.334 -25.131 5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 86 51.505 -25.238 6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 86 50.977 -23.639 6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 86 50.427 -22.172 8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 86 50.537 -22.631 9.755 1.00 0.00 H new ATOM 1372 N THR A 87 49.843 -27.430 6.555 1.00 0.00 N ATOM 1373 CA THR A 87 49.788 -28.796 7.049 1.00 0.00 C ATOM 1374 C THR A 87 51.199 -29.371 7.184 1.00 0.00 C ATOM 1375 O THR A 87 52.152 -28.823 6.633 1.00 0.00 O ATOM 1376 CB THR A 87 48.890 -29.602 6.110 1.00 0.00 C ATOM 1377 OG1 THR A 87 49.446 -29.375 4.818 1.00 0.00 O ATOM 1378 CG2 THR A 87 47.475 -29.027 6.013 1.00 0.00 C ATOM 0 H THR A 87 50.385 -27.307 5.700 1.00 0.00 H new ATOM 0 HA THR A 87 49.357 -28.838 8.049 1.00 0.00 H new ATOM 0 HB THR A 87 48.838 -30.634 6.456 1.00 0.00 H new ATOM 0 HG1 THR A 87 48.925 -29.863 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 87 46.880 -29.637 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 87 47.013 -29.028 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 87 47.522 -28.005 5.636 1.00 0.00 H new ATOM 1386 N ALA A 88 51.287 -30.469 7.921 1.00 0.00 N ATOM 1387 CA ALA A 88 52.566 -31.125 8.136 1.00 0.00 C ATOM 1388 C ALA A 88 52.358 -32.365 9.008 1.00 0.00 C ATOM 1389 O ALA A 88 52.259 -32.258 10.230 1.00 0.00 O ATOM 1390 CB ALA A 88 53.551 -30.133 8.758 1.00 0.00 C ATOM 0 H ALA A 88 50.494 -30.921 8.376 1.00 0.00 H new ATOM 0 HA ALA A 88 52.992 -31.456 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 88 54.510 -30.625 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 88 53.687 -29.285 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 88 53.159 -29.781 9.712 1.00 0.00 H new ATOM 1396 N VAL A 89 52.298 -33.511 8.347 1.00 0.00 N ATOM 1397 CA VAL A 89 52.104 -34.769 9.047 1.00 0.00 C ATOM 1398 C VAL A 89 52.847 -35.881 8.304 1.00 0.00 C ATOM 1399 O VAL A 89 52.447 -36.277 7.211 1.00 0.00 O ATOM 1400 CB VAL A 89 50.609 -35.053 9.209 1.00 0.00 C ATOM 1401 CG1 VAL A 89 49.931 -35.208 7.846 1.00 0.00 C ATOM 1402 CG2 VAL A 89 50.377 -36.288 10.080 1.00 0.00 C ATOM 0 H VAL A 89 52.380 -33.595 7.334 1.00 0.00 H new ATOM 0 HA VAL A 89 52.521 -34.715 10.052 1.00 0.00 H new ATOM 0 HB VAL A 89 50.158 -34.199 9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 89 48.869 -35.409 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 89 50.052 -34.289 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 89 50.388 -36.036 7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 89 49.306 -36.467 10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 89 50.849 -37.154 9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 89 50.810 -36.124 11.067 1.00 0.00 H new ATOM 1412 N THR A 90 53.916 -36.354 8.927 1.00 0.00 N ATOM 1413 CA THR A 90 54.720 -37.413 8.339 1.00 0.00 C ATOM 1414 C THR A 90 55.218 -38.370 9.424 1.00 0.00 C ATOM 1415 O THR A 90 55.290 -38.002 10.596 1.00 0.00 O ATOM 1416 CB THR A 90 55.848 -36.760 7.538 1.00 0.00 C ATOM 1417 OG1 THR A 90 55.231 -36.391 6.308 1.00 0.00 O ATOM 1418 CG2 THR A 90 56.929 -37.762 7.127 1.00 0.00 C ATOM 0 H THR A 90 54.245 -36.023 9.834 1.00 0.00 H new ATOM 0 HA THR A 90 54.131 -38.026 7.657 1.00 0.00 H new ATOM 0 HB THR A 90 56.298 -35.962 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 90 55.891 -35.958 5.728 1.00 0.00 H new ATOM 0 HG21 THR A 90 57.706 -37.248 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 90 57.367 -38.211 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 90 56.486 -38.542 6.508 1.00 0.00 H new ATOM 1426 N LEU A 91 55.550 -39.578 8.995 1.00 0.00 N ATOM 1427 CA LEU A 91 56.040 -40.590 9.914 1.00 0.00 C ATOM 1428 C LEU A 91 57.519 -40.860 9.629 1.00 0.00 C ATOM 1429 O LEU A 91 57.900 -41.103 8.485 1.00 0.00 O ATOM 1430 CB LEU A 91 55.163 -41.843 9.850 1.00 0.00 C ATOM 1431 CG LEU A 91 55.879 -43.175 10.081 1.00 0.00 C ATOM 1432 CD1 LEU A 91 56.480 -43.238 11.486 1.00 0.00 C ATOM 1433 CD2 LEU A 91 54.945 -44.354 9.804 1.00 0.00 C ATOM 0 H LEU A 91 55.489 -39.879 8.022 1.00 0.00 H new ATOM 0 HA LEU A 91 55.973 -40.234 10.942 1.00 0.00 H new ATOM 0 HB2 LEU A 91 54.370 -41.746 10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 91 54.682 -41.876 8.872 1.00 0.00 H new ATOM 0 HG LEU A 91 56.706 -43.246 9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 91 56.983 -44.195 11.624 1.00 0.00 H new ATOM 0 HD12 LEU A 91 57.199 -42.429 11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 91 55.686 -43.135 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 91 55.478 -45.289 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 91 54.084 -44.300 10.470 1.00 0.00 H new ATOM 0 HD23 LEU A 91 54.606 -44.314 8.769 1.00 0.00 H new ATOM 1445 N THR A 92 58.312 -40.808 10.690 1.00 0.00 N ATOM 1446 CA THR A 92 59.740 -41.043 10.567 1.00 0.00 C ATOM 1447 C THR A 92 60.005 -42.441 10.005 1.00 0.00 C ATOM 1448 O THR A 92 59.074 -43.223 9.814 1.00 0.00 O ATOM 1449 CB THR A 92 60.377 -40.810 11.939 1.00 0.00 C ATOM 1450 OG1 THR A 92 59.777 -41.797 12.773 1.00 0.00 O ATOM 1451 CG2 THR A 92 59.947 -39.481 12.565 1.00 0.00 C ATOM 0 H THR A 92 57.992 -40.607 11.637 1.00 0.00 H new ATOM 0 HA THR A 92 60.195 -40.351 9.858 1.00 0.00 H new ATOM 0 HB THR A 92 61.463 -40.833 11.844 1.00 0.00 H new ATOM 0 HG1 THR A 92 60.135 -41.719 13.682 1.00 0.00 H new ATOM 0 HG21 THR A 92 60.427 -39.364 13.537 1.00 0.00 H new ATOM 0 HG22 THR A 92 60.243 -38.659 11.913 1.00 0.00 H new ATOM 0 HG23 THR A 92 58.864 -39.472 12.691 1.00 0.00 H new ATOM 1459 N GLY A 93 61.277 -42.713 9.755 1.00 0.00 N ATOM 1460 CA GLY A 93 61.676 -44.003 9.217 1.00 0.00 C ATOM 1461 C GLY A 93 61.283 -44.128 7.744 1.00 0.00 C ATOM 1462 O GLY A 93 62.140 -44.071 6.863 1.00 0.00 O ATOM 0 H GLY A 93 62.046 -42.062 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 93 62.754 -44.127 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 93 61.206 -44.802 9.791 1.00 0.00 H new TER 1466 GLY A 93