USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 628 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 TYR OH : rot 130:sc= 0.94 USER MOD Set 2.2: A 74 TYR OH : rot 104:sc= 1.55 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0189 (180deg=-0.232) USER MOD Single : A 1 MET N :NH3+ -173:sc=-0.000852 (180deg=-0.0769) USER MOD Single : A 3 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-0.7) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00356 X(o=-0.0036,f=-0.0013) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.37 K(o=0.37,f=-2.2!) USER MOD Single : A 11 MET CE :methyl -166:sc= -0.0098 (180deg=-0.235) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.0971) USER MOD Single : A 15 THR OG1 : rot -150:sc= -1.56! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 18 TYR OH : rot 120:sc= 0.993 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0356) USER MOD Single : A 26 ASN : amide:sc= -1.25 K(o=-1.3,f=-5.6!) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.82 USER MOD Single : A 29 GLN : amide:sc= -2.09! K(o=-2.1!,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0248) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0421) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-5.3!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0307) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 50 ASN : amide:sc=-0.00407 K(o=-0.0041,f=-0.89) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.22) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.122 K(o=-0.12,f=-3.3!) USER MOD Single : A 59 SER OG : rot 69:sc= 1.1 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= -1.25! (180deg=-2.09!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.563 15.823 -17.398 1.00 0.00 N ATOM 2 CA MET A 1 -15.469 14.349 -17.331 1.00 0.00 C ATOM 3 C MET A 1 -14.421 13.835 -18.310 1.00 0.00 C ATOM 4 O MET A 1 -14.359 14.294 -19.448 1.00 0.00 O ATOM 5 CB MET A 1 -16.822 13.713 -17.662 1.00 0.00 C ATOM 6 CG MET A 1 -17.936 14.076 -16.698 1.00 0.00 C ATOM 7 SD MET A 1 -17.591 13.591 -14.992 1.00 0.00 S ATOM 8 CE MET A 1 -17.594 11.806 -15.122 1.00 0.00 C ATOM 0 H1 MET A 1 -16.193 16.165 -16.645 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.617 16.237 -17.273 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.945 16.105 -18.323 1.00 0.00 H new ATOM 0 HA MET A 1 -15.178 14.075 -16.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.115 14.014 -18.668 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.707 12.629 -17.675 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.103 15.152 -16.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.860 13.598 -17.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.626 11.369 -14.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.468 11.484 -15.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.689 11.477 -15.634 1.00 0.00 H new ATOM 20 N GLY A 2 -13.585 12.889 -17.850 1.00 0.00 N ATOM 21 CA GLY A 2 -12.576 12.275 -18.709 1.00 0.00 C ATOM 22 C GLY A 2 -11.625 13.284 -19.342 1.00 0.00 C ATOM 23 O GLY A 2 -11.529 13.369 -20.567 1.00 0.00 O ATOM 0 H GLY A 2 -13.593 12.539 -16.892 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -11.998 11.560 -18.124 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.075 11.712 -19.498 1.00 0.00 H new ATOM 27 N HIS A 3 -10.937 14.053 -18.516 1.00 0.00 N ATOM 28 CA HIS A 3 -10.000 15.061 -19.013 1.00 0.00 C ATOM 29 C HIS A 3 -8.550 14.682 -18.716 1.00 0.00 C ATOM 30 O HIS A 3 -7.623 15.290 -19.244 1.00 0.00 O ATOM 31 CB HIS A 3 -10.315 16.455 -18.427 1.00 0.00 C ATOM 32 CG HIS A 3 -10.241 16.531 -16.925 1.00 0.00 C ATOM 33 ND1 HIS A 3 -9.053 16.506 -16.223 1.00 0.00 N ATOM 34 CD2 HIS A 3 -11.222 16.621 -15.992 1.00 0.00 C ATOM 35 CE1 HIS A 3 -9.306 16.575 -14.926 1.00 0.00 C ATOM 36 NE2 HIS A 3 -10.610 16.643 -14.762 1.00 0.00 N ATOM 0 H HIS A 3 -11.005 14.004 -17.499 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.124 15.102 -20.095 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.618 17.179 -18.850 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.315 16.751 -18.745 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.284 16.667 -16.181 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.569 16.575 -14.137 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.090 16.703 -13.864 1.00 0.00 H new ATOM 44 N HIS A 4 -8.357 13.688 -17.866 1.00 0.00 N ATOM 45 CA HIS A 4 -7.016 13.263 -17.499 1.00 0.00 C ATOM 46 C HIS A 4 -6.886 11.751 -17.567 1.00 0.00 C ATOM 47 O HIS A 4 -7.656 11.023 -16.941 1.00 0.00 O ATOM 48 CB HIS A 4 -6.654 13.770 -16.088 1.00 0.00 C ATOM 49 CG HIS A 4 -5.300 13.323 -15.596 1.00 0.00 C ATOM 50 ND1 HIS A 4 -4.113 13.850 -16.068 1.00 0.00 N ATOM 51 CD2 HIS A 4 -4.950 12.386 -14.678 1.00 0.00 C ATOM 52 CE1 HIS A 4 -3.093 13.253 -15.464 1.00 0.00 C ATOM 53 NE2 HIS A 4 -3.573 12.368 -14.617 1.00 0.00 N ATOM 0 H HIS A 4 -9.108 13.162 -17.419 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.318 13.697 -18.215 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.686 14.860 -16.087 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.414 13.428 -15.386 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.625 11.770 -14.103 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.047 13.459 -15.638 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.015 11.765 -14.012 1.00 0.00 H new ATOM 61 N HIS A 5 -5.913 11.286 -18.330 1.00 0.00 N ATOM 62 CA HIS A 5 -5.626 9.863 -18.411 1.00 0.00 C ATOM 63 C HIS A 5 -4.666 9.490 -17.297 1.00 0.00 C ATOM 64 O HIS A 5 -3.707 10.217 -17.034 1.00 0.00 O ATOM 65 CB HIS A 5 -5.021 9.498 -19.775 1.00 0.00 C ATOM 66 CG HIS A 5 -6.034 9.381 -20.880 1.00 0.00 C ATOM 67 ND1 HIS A 5 -6.363 8.181 -21.478 1.00 0.00 N ATOM 68 CD2 HIS A 5 -6.791 10.324 -21.501 1.00 0.00 C ATOM 69 CE1 HIS A 5 -7.272 8.387 -22.412 1.00 0.00 C ATOM 70 NE2 HIS A 5 -7.550 9.680 -22.443 1.00 0.00 N ATOM 0 H HIS A 5 -5.307 11.873 -18.903 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.557 9.307 -18.301 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.285 10.254 -20.049 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.487 8.552 -19.683 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.794 11.383 -21.291 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.713 7.630 -23.043 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.222 10.126 -23.068 1.00 0.00 H new ATOM 78 N HIS A 6 -4.932 8.381 -16.633 1.00 0.00 N ATOM 79 CA HIS A 6 -4.106 7.944 -15.513 1.00 0.00 C ATOM 80 C HIS A 6 -2.696 7.595 -15.988 1.00 0.00 C ATOM 81 O HIS A 6 -1.703 7.923 -15.324 1.00 0.00 O ATOM 82 CB HIS A 6 -4.738 6.741 -14.809 1.00 0.00 C ATOM 83 CG HIS A 6 -4.072 6.388 -13.512 1.00 0.00 C ATOM 84 ND1 HIS A 6 -3.117 5.401 -13.387 1.00 0.00 N ATOM 85 CD2 HIS A 6 -4.238 6.902 -12.271 1.00 0.00 C ATOM 86 CE1 HIS A 6 -2.730 5.322 -12.124 1.00 0.00 C ATOM 87 NE2 HIS A 6 -3.398 6.224 -11.428 1.00 0.00 N ATOM 0 H HIS A 6 -5.714 7.762 -16.847 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.041 8.767 -14.801 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.791 6.952 -14.622 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.699 5.879 -15.475 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -4.910 7.701 -11.996 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -1.994 4.637 -11.730 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.304 6.389 -10.426 1.00 0.00 H new ATOM 95 N HIS A 7 -2.616 6.929 -17.128 1.00 0.00 N ATOM 96 CA HIS A 7 -1.339 6.567 -17.711 1.00 0.00 C ATOM 97 C HIS A 7 -0.703 7.796 -18.354 1.00 0.00 C ATOM 98 O HIS A 7 -1.313 8.451 -19.197 1.00 0.00 O ATOM 99 CB HIS A 7 -1.512 5.434 -18.742 1.00 0.00 C ATOM 100 CG HIS A 7 -0.267 5.129 -19.531 1.00 0.00 C ATOM 101 ND1 HIS A 7 0.895 4.653 -18.954 1.00 0.00 N ATOM 102 CD2 HIS A 7 -0.007 5.236 -20.853 1.00 0.00 C ATOM 103 CE1 HIS A 7 1.813 4.483 -19.885 1.00 0.00 C ATOM 104 NE2 HIS A 7 1.292 4.828 -21.048 1.00 0.00 N ATOM 0 H HIS A 7 -3.426 6.628 -17.669 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.680 6.201 -16.924 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -1.832 4.530 -18.223 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.311 5.704 -19.433 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.692 5.578 -21.615 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.819 4.123 -19.724 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.775 4.797 -21.946 1.00 0.00 H new ATOM 112 N HIS A 8 0.516 8.104 -17.946 1.00 0.00 N ATOM 113 CA HIS A 8 1.223 9.260 -18.470 1.00 0.00 C ATOM 114 C HIS A 8 1.683 9.012 -19.887 1.00 0.00 C ATOM 115 O HIS A 8 2.144 7.920 -20.219 1.00 0.00 O ATOM 116 CB HIS A 8 2.429 9.613 -17.595 1.00 0.00 C ATOM 117 CG HIS A 8 2.073 10.166 -16.249 1.00 0.00 C ATOM 118 ND1 HIS A 8 2.664 9.739 -15.077 1.00 0.00 N ATOM 119 CD2 HIS A 8 1.194 11.138 -15.888 1.00 0.00 C ATOM 120 CE1 HIS A 8 2.163 10.418 -14.061 1.00 0.00 C ATOM 121 NE2 HIS A 8 1.274 11.271 -14.527 1.00 0.00 N ATOM 0 H HIS A 8 1.038 7.569 -17.252 1.00 0.00 H new ATOM 0 HA HIS A 8 0.527 10.099 -18.463 1.00 0.00 H new ATOM 0 HB2 HIS A 8 3.038 8.719 -17.458 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.045 10.341 -18.123 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.553 11.700 -16.550 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.436 10.295 -13.023 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.732 11.926 -13.964 1.00 0.00 H new ATOM 129 N SER A 9 1.536 10.011 -20.720 1.00 0.00 N ATOM 130 CA SER A 9 1.984 9.915 -22.079 1.00 0.00 C ATOM 131 C SER A 9 3.505 10.016 -22.125 1.00 0.00 C ATOM 132 O SER A 9 4.092 10.916 -21.524 1.00 0.00 O ATOM 133 CB SER A 9 1.358 11.036 -22.906 1.00 0.00 C ATOM 134 OG SER A 9 -0.036 11.123 -22.662 1.00 0.00 O ATOM 0 H SER A 9 1.107 10.903 -20.475 1.00 0.00 H new ATOM 0 HA SER A 9 1.679 8.955 -22.495 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.835 11.985 -22.660 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.536 10.855 -23.966 1.00 0.00 H new ATOM 0 HG SER A 9 -0.418 11.848 -23.200 1.00 0.00 H new ATOM 140 N HIS A 10 4.135 9.099 -22.836 1.00 0.00 N ATOM 141 CA HIS A 10 5.591 9.089 -22.955 1.00 0.00 C ATOM 142 C HIS A 10 6.039 10.070 -24.030 1.00 0.00 C ATOM 143 O HIS A 10 7.227 10.332 -24.197 1.00 0.00 O ATOM 144 CB HIS A 10 6.109 7.665 -23.248 1.00 0.00 C ATOM 145 CG HIS A 10 5.629 7.079 -24.552 1.00 0.00 C ATOM 146 ND1 HIS A 10 4.298 6.848 -24.831 1.00 0.00 N ATOM 147 CD2 HIS A 10 6.315 6.673 -25.648 1.00 0.00 C ATOM 148 CE1 HIS A 10 4.187 6.324 -26.040 1.00 0.00 C ATOM 149 NE2 HIS A 10 5.395 6.207 -26.556 1.00 0.00 N ATOM 0 H HIS A 10 3.665 8.348 -23.342 1.00 0.00 H new ATOM 0 HA HIS A 10 6.019 9.406 -22.004 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.199 7.683 -23.252 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.804 7.007 -22.435 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.386 6.709 -25.783 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.264 6.040 -26.523 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.611 5.831 -27.479 1.00 0.00 H new ATOM 157 N MET A 11 5.070 10.596 -24.761 1.00 0.00 N ATOM 158 CA MET A 11 5.332 11.579 -25.793 1.00 0.00 C ATOM 159 C MET A 11 5.556 12.944 -25.158 1.00 0.00 C ATOM 160 O MET A 11 4.787 13.367 -24.287 1.00 0.00 O ATOM 161 CB MET A 11 4.161 11.644 -26.779 1.00 0.00 C ATOM 162 CG MET A 11 3.953 10.365 -27.580 1.00 0.00 C ATOM 163 SD MET A 11 2.600 10.496 -28.771 1.00 0.00 S ATOM 164 CE MET A 11 1.186 10.548 -27.670 1.00 0.00 C ATOM 0 H MET A 11 4.085 10.353 -24.655 1.00 0.00 H new ATOM 0 HA MET A 11 6.229 11.286 -26.339 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.248 11.868 -26.228 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.327 12.470 -27.470 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.874 10.119 -28.109 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.749 9.542 -26.895 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.273 10.379 -28.242 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.288 9.773 -26.910 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.136 11.524 -27.188 1.00 0.00 H new ATOM 174 N VAL A 12 6.591 13.628 -25.601 1.00 0.00 N ATOM 175 CA VAL A 12 6.939 14.933 -25.063 1.00 0.00 C ATOM 176 C VAL A 12 6.136 16.045 -25.732 1.00 0.00 C ATOM 177 O VAL A 12 5.935 16.035 -26.951 1.00 0.00 O ATOM 178 CB VAL A 12 8.457 15.220 -25.209 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.264 14.281 -24.325 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.902 15.087 -26.663 1.00 0.00 C ATOM 0 H VAL A 12 7.213 13.300 -26.340 1.00 0.00 H new ATOM 0 HA VAL A 12 6.689 14.914 -24.002 1.00 0.00 H new ATOM 0 HB VAL A 12 8.637 16.246 -24.889 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.326 14.496 -24.440 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.975 14.424 -23.284 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.069 13.249 -24.617 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.970 15.293 -26.737 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.703 14.074 -27.013 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.351 15.798 -27.279 1.00 0.00 H new ATOM 190 N LYS A 13 5.649 16.982 -24.925 1.00 0.00 N ATOM 191 CA LYS A 13 4.893 18.115 -25.426 1.00 0.00 C ATOM 192 C LYS A 13 5.575 19.396 -25.005 1.00 0.00 C ATOM 193 O LYS A 13 5.278 19.940 -23.935 1.00 0.00 O ATOM 194 CB LYS A 13 3.460 18.103 -24.893 1.00 0.00 C ATOM 195 CG LYS A 13 2.608 16.952 -25.392 1.00 0.00 C ATOM 196 CD LYS A 13 1.213 17.016 -24.784 1.00 0.00 C ATOM 197 CE LYS A 13 0.305 15.920 -25.324 1.00 0.00 C ATOM 198 NZ LYS A 13 0.823 14.561 -25.025 1.00 0.00 N ATOM 0 H LYS A 13 5.768 16.974 -23.912 1.00 0.00 H new ATOM 0 HA LYS A 13 4.854 18.049 -26.513 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.492 18.068 -23.804 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.977 19.041 -25.168 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.539 16.988 -26.479 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.080 16.004 -25.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.285 16.926 -23.700 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.770 17.990 -24.994 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.690 16.030 -24.893 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.200 16.037 -26.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.110 13.852 -25.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.695 14.395 -25.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.027 14.483 -24.008 1.00 0.00 H new ATOM 212 N GLU A 14 6.498 19.865 -25.839 1.00 0.00 N ATOM 213 CA GLU A 14 7.272 21.061 -25.544 1.00 0.00 C ATOM 214 C GLU A 14 8.008 20.885 -24.220 1.00 0.00 C ATOM 215 O GLU A 14 7.726 21.573 -23.227 1.00 0.00 O ATOM 216 CB GLU A 14 6.381 22.310 -25.503 1.00 0.00 C ATOM 217 CG GLU A 14 7.149 23.596 -25.234 1.00 0.00 C ATOM 218 CD GLU A 14 6.247 24.798 -25.130 1.00 0.00 C ATOM 219 OE1 GLU A 14 5.777 25.284 -26.178 1.00 0.00 O ATOM 220 OE2 GLU A 14 6.004 25.268 -23.999 1.00 0.00 O ATOM 0 H GLU A 14 6.728 19.429 -26.732 1.00 0.00 H new ATOM 0 HA GLU A 14 7.999 21.204 -26.343 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.855 22.402 -26.453 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.623 22.181 -24.730 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.715 23.490 -24.309 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.872 23.757 -26.033 1.00 0.00 H new ATOM 227 N THR A 15 8.923 19.951 -24.188 1.00 0.00 N ATOM 228 CA THR A 15 9.651 19.699 -23.005 1.00 0.00 C ATOM 229 C THR A 15 10.824 20.634 -22.888 1.00 0.00 C ATOM 230 O THR A 15 11.701 20.685 -23.758 1.00 0.00 O ATOM 231 CB THR A 15 10.128 18.270 -22.971 1.00 0.00 C ATOM 232 OG1 THR A 15 9.008 17.387 -23.116 1.00 0.00 O ATOM 233 CG2 THR A 15 10.854 17.971 -21.687 1.00 0.00 C ATOM 0 H THR A 15 9.171 19.358 -24.980 1.00 0.00 H new ATOM 0 HA THR A 15 8.985 19.869 -22.159 1.00 0.00 H new ATOM 0 HB THR A 15 10.824 18.119 -23.796 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.190 16.548 -22.644 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.187 16.933 -21.690 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.718 18.629 -21.596 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.183 18.134 -20.843 1.00 0.00 H new ATOM 241 N THR A 16 10.830 21.372 -21.824 1.00 0.00 N ATOM 242 CA THR A 16 11.877 22.304 -21.564 1.00 0.00 C ATOM 243 C THR A 16 12.883 21.737 -20.577 1.00 0.00 C ATOM 244 O THR A 16 12.644 20.706 -19.967 1.00 0.00 O ATOM 245 CB THR A 16 11.328 23.689 -21.112 1.00 0.00 C ATOM 246 OG1 THR A 16 12.386 24.558 -20.678 1.00 0.00 O ATOM 247 CG2 THR A 16 10.296 23.539 -20.010 1.00 0.00 C ATOM 0 H THR A 16 10.104 21.344 -21.108 1.00 0.00 H new ATOM 0 HA THR A 16 12.404 22.474 -22.503 1.00 0.00 H new ATOM 0 HB THR A 16 10.847 24.140 -21.980 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.009 25.420 -20.402 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.932 24.523 -19.716 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.463 22.937 -20.372 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.751 23.049 -19.149 1.00 0.00 H new ATOM 255 N TYR A 17 13.996 22.427 -20.427 1.00 0.00 N ATOM 256 CA TYR A 17 15.088 21.998 -19.558 1.00 0.00 C ATOM 257 C TYR A 17 14.612 21.894 -18.129 1.00 0.00 C ATOM 258 O TYR A 17 15.041 21.019 -17.388 1.00 0.00 O ATOM 259 CB TYR A 17 16.265 22.981 -19.679 1.00 0.00 C ATOM 260 CG TYR A 17 16.849 23.033 -21.080 1.00 0.00 C ATOM 261 CD1 TYR A 17 17.810 22.116 -21.492 1.00 0.00 C ATOM 262 CD2 TYR A 17 16.419 23.986 -22.000 1.00 0.00 C ATOM 263 CE1 TYR A 17 18.329 22.146 -22.772 1.00 0.00 C ATOM 264 CE2 TYR A 17 16.930 24.018 -23.285 1.00 0.00 C ATOM 265 CZ TYR A 17 17.886 23.095 -23.665 1.00 0.00 C ATOM 266 OH TYR A 17 18.393 23.116 -24.947 1.00 0.00 O ATOM 0 H TYR A 17 14.175 23.309 -20.906 1.00 0.00 H new ATOM 0 HA TYR A 17 15.429 21.011 -19.870 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.930 23.978 -19.393 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.046 22.693 -18.975 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.157 21.365 -20.797 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.675 24.711 -21.706 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.079 21.428 -23.070 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.584 24.761 -23.988 1.00 0.00 H new ATOM 0 HH TYR A 17 17.654 23.148 -25.590 1.00 0.00 H new ATOM 276 N TYR A 18 13.703 22.772 -17.760 1.00 0.00 N ATOM 277 CA TYR A 18 13.125 22.755 -16.458 1.00 0.00 C ATOM 278 C TYR A 18 12.221 21.529 -16.316 1.00 0.00 C ATOM 279 O TYR A 18 12.163 20.901 -15.262 1.00 0.00 O ATOM 280 CB TYR A 18 12.350 24.047 -16.245 1.00 0.00 C ATOM 281 CG TYR A 18 13.233 25.274 -16.034 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.202 25.650 -16.976 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.088 26.066 -14.898 1.00 0.00 C ATOM 284 CE1 TYR A 18 14.989 26.771 -16.779 1.00 0.00 C ATOM 285 CE2 TYR A 18 13.873 27.184 -14.697 1.00 0.00 C ATOM 286 CZ TYR A 18 14.819 27.534 -15.636 1.00 0.00 C ATOM 287 OH TYR A 18 15.601 28.652 -15.432 1.00 0.00 O ATOM 0 H TYR A 18 13.352 23.514 -18.365 1.00 0.00 H new ATOM 0 HA TYR A 18 13.902 22.688 -15.696 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.707 24.219 -17.108 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.698 23.929 -15.380 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.336 25.056 -17.868 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.346 25.800 -14.159 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.731 27.049 -17.512 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.746 27.782 -13.807 1.00 0.00 H new ATOM 0 HH TYR A 18 15.028 29.444 -15.364 1.00 0.00 H new ATOM 297 N ASP A 19 11.532 21.191 -17.408 1.00 0.00 N ATOM 298 CA ASP A 19 10.660 20.019 -17.449 1.00 0.00 C ATOM 299 C ASP A 19 11.460 18.730 -17.323 1.00 0.00 C ATOM 300 O ASP A 19 11.044 17.802 -16.638 1.00 0.00 O ATOM 301 CB ASP A 19 9.837 19.992 -18.739 1.00 0.00 C ATOM 302 CG ASP A 19 8.779 18.896 -18.706 1.00 0.00 C ATOM 303 OD1 ASP A 19 7.747 19.081 -18.016 1.00 0.00 O ATOM 304 OD2 ASP A 19 8.970 17.856 -19.348 1.00 0.00 O ATOM 0 H ASP A 19 11.563 21.718 -18.281 1.00 0.00 H new ATOM 0 HA ASP A 19 9.981 20.091 -16.599 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.356 20.959 -18.885 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.499 19.834 -19.590 1.00 0.00 H new ATOM 309 N VAL A 20 12.616 18.700 -17.985 1.00 0.00 N ATOM 310 CA VAL A 20 13.526 17.545 -17.965 1.00 0.00 C ATOM 311 C VAL A 20 13.980 17.252 -16.536 1.00 0.00 C ATOM 312 O VAL A 20 14.079 16.101 -16.119 1.00 0.00 O ATOM 313 CB VAL A 20 14.764 17.797 -18.862 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.679 16.599 -18.884 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.338 18.152 -20.263 1.00 0.00 C ATOM 0 H VAL A 20 12.953 19.477 -18.554 1.00 0.00 H new ATOM 0 HA VAL A 20 12.983 16.684 -18.355 1.00 0.00 H new ATOM 0 HB VAL A 20 15.316 18.636 -18.437 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.537 16.809 -19.522 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.023 16.385 -17.872 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.139 15.736 -19.274 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.221 18.326 -20.879 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.756 17.332 -20.685 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.728 19.055 -20.240 1.00 0.00 H new ATOM 325 N LEU A 21 14.243 18.315 -15.793 1.00 0.00 N ATOM 326 CA LEU A 21 14.670 18.202 -14.387 1.00 0.00 C ATOM 327 C LEU A 21 13.461 18.007 -13.485 1.00 0.00 C ATOM 328 O LEU A 21 13.599 17.771 -12.283 1.00 0.00 O ATOM 329 CB LEU A 21 15.446 19.462 -13.936 1.00 0.00 C ATOM 330 CG LEU A 21 16.964 19.516 -14.234 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.742 18.624 -13.295 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.271 19.135 -15.657 1.00 0.00 C ATOM 0 H LEU A 21 14.171 19.274 -16.132 1.00 0.00 H new ATOM 0 HA LEU A 21 15.330 17.338 -14.308 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.981 20.329 -14.406 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.311 19.572 -12.860 1.00 0.00 H new ATOM 0 HG LEU A 21 17.272 20.550 -14.079 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.804 18.685 -13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.580 18.948 -12.267 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.404 17.594 -13.408 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.347 19.186 -15.823 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.923 18.119 -15.845 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.766 19.823 -16.335 1.00 0.00 H new ATOM 344 N GLY A 22 12.273 18.076 -14.079 1.00 0.00 N ATOM 345 CA GLY A 22 11.066 17.905 -13.325 1.00 0.00 C ATOM 346 C GLY A 22 10.890 18.995 -12.308 1.00 0.00 C ATOM 347 O GLY A 22 10.445 18.748 -11.182 1.00 0.00 O ATOM 0 H GLY A 22 12.135 18.249 -15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.212 17.897 -14.002 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.084 16.938 -12.823 1.00 0.00 H new ATOM 351 N VAL A 23 11.236 20.201 -12.696 1.00 0.00 N ATOM 352 CA VAL A 23 11.201 21.328 -11.796 1.00 0.00 C ATOM 353 C VAL A 23 10.273 22.414 -12.364 1.00 0.00 C ATOM 354 O VAL A 23 9.849 22.332 -13.521 1.00 0.00 O ATOM 355 CB VAL A 23 12.639 21.887 -11.591 1.00 0.00 C ATOM 356 CG1 VAL A 23 12.999 22.942 -12.620 1.00 0.00 C ATOM 357 CG2 VAL A 23 12.856 22.369 -10.168 1.00 0.00 C ATOM 0 H VAL A 23 11.548 20.427 -13.640 1.00 0.00 H new ATOM 0 HA VAL A 23 10.814 21.009 -10.828 1.00 0.00 H new ATOM 0 HB VAL A 23 13.328 21.058 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.011 23.301 -12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.945 22.509 -13.619 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.300 23.775 -12.547 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.871 22.752 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.144 23.162 -9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.709 21.539 -9.476 1.00 0.00 H new ATOM 367 N LYS A 24 9.948 23.405 -11.554 1.00 0.00 N ATOM 368 CA LYS A 24 9.052 24.472 -11.974 1.00 0.00 C ATOM 369 C LYS A 24 9.813 25.543 -12.747 1.00 0.00 C ATOM 370 O LYS A 24 11.019 25.681 -12.605 1.00 0.00 O ATOM 371 CB LYS A 24 8.365 25.098 -10.765 1.00 0.00 C ATOM 372 CG LYS A 24 7.458 24.143 -9.992 1.00 0.00 C ATOM 373 CD LYS A 24 7.002 24.755 -8.674 1.00 0.00 C ATOM 374 CE LYS A 24 6.048 25.924 -8.876 1.00 0.00 C ATOM 375 NZ LYS A 24 4.716 25.479 -9.353 1.00 0.00 N ATOM 0 H LYS A 24 10.291 23.495 -10.598 1.00 0.00 H new ATOM 0 HA LYS A 24 8.295 24.039 -12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.127 25.484 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.774 25.951 -11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.588 23.893 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.989 23.211 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.512 23.990 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.873 25.093 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.934 26.465 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.476 26.621 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.068 26.292 -9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.806 25.076 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.339 24.757 -8.706 1.00 0.00 H new ATOM 389 N PRO A 25 9.105 26.329 -13.563 1.00 0.00 N ATOM 390 CA PRO A 25 9.711 27.409 -14.368 1.00 0.00 C ATOM 391 C PRO A 25 10.243 28.551 -13.497 1.00 0.00 C ATOM 392 O PRO A 25 10.955 29.435 -13.974 1.00 0.00 O ATOM 393 CB PRO A 25 8.543 27.913 -15.231 1.00 0.00 C ATOM 394 CG PRO A 25 7.508 26.841 -15.156 1.00 0.00 C ATOM 395 CD PRO A 25 7.668 26.209 -13.804 1.00 0.00 C ATOM 0 HA PRO A 25 10.566 27.053 -14.942 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.156 28.860 -14.855 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.859 28.083 -16.260 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.507 27.255 -15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.648 26.107 -15.949 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.085 26.727 -13.043 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.342 25.169 -13.802 1.00 0.00 H new ATOM 403 N ASN A 26 9.899 28.519 -12.221 1.00 0.00 N ATOM 404 CA ASN A 26 10.300 29.556 -11.287 1.00 0.00 C ATOM 405 C ASN A 26 11.223 28.972 -10.225 1.00 0.00 C ATOM 406 O ASN A 26 11.448 29.578 -9.172 1.00 0.00 O ATOM 407 CB ASN A 26 9.060 30.181 -10.633 1.00 0.00 C ATOM 408 CG ASN A 26 8.255 29.191 -9.803 1.00 0.00 C ATOM 409 OD1 ASN A 26 7.429 28.447 -10.336 1.00 0.00 O ATOM 410 ND2 ASN A 26 8.470 29.191 -8.496 1.00 0.00 N ATOM 0 H ASN A 26 9.336 27.777 -11.805 1.00 0.00 H new ATOM 0 HA ASN A 26 10.839 30.334 -11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.372 31.009 -9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.420 30.599 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.943 28.560 -7.892 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.163 29.822 -8.093 1.00 0.00 H new ATOM 417 N ALA A 27 11.774 27.804 -10.525 1.00 0.00 N ATOM 418 CA ALA A 27 12.618 27.078 -9.602 1.00 0.00 C ATOM 419 C ALA A 27 13.913 27.804 -9.291 1.00 0.00 C ATOM 420 O ALA A 27 14.471 28.515 -10.129 1.00 0.00 O ATOM 421 CB ALA A 27 12.895 25.710 -10.155 1.00 0.00 C ATOM 0 H ALA A 27 11.644 27.336 -11.422 1.00 0.00 H new ATOM 0 HA ALA A 27 12.082 26.996 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.531 25.159 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.955 25.174 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.400 25.802 -11.117 1.00 0.00 H new ATOM 427 N THR A 28 14.364 27.627 -8.076 1.00 0.00 N ATOM 428 CA THR A 28 15.576 28.248 -7.593 1.00 0.00 C ATOM 429 C THR A 28 16.776 27.432 -7.914 1.00 0.00 C ATOM 430 O THR A 28 16.665 26.282 -8.311 1.00 0.00 O ATOM 431 CB THR A 28 15.519 28.424 -6.074 1.00 0.00 C ATOM 432 OG1 THR A 28 15.482 27.140 -5.442 1.00 0.00 O ATOM 433 CG2 THR A 28 14.287 29.172 -5.714 1.00 0.00 C ATOM 0 H THR A 28 13.896 27.041 -7.384 1.00 0.00 H new ATOM 0 HA THR A 28 15.653 29.216 -8.089 1.00 0.00 H new ATOM 0 HB THR A 28 16.401 28.972 -5.741 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.133 27.234 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.242 29.300 -4.632 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.302 30.150 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.412 28.616 -6.050 1.00 0.00 H new ATOM 441 N GLN A 29 17.928 28.035 -7.743 1.00 0.00 N ATOM 442 CA GLN A 29 19.187 27.327 -7.879 1.00 0.00 C ATOM 443 C GLN A 29 19.189 26.116 -6.953 1.00 0.00 C ATOM 444 O GLN A 29 19.669 25.039 -7.310 1.00 0.00 O ATOM 445 CB GLN A 29 20.349 28.274 -7.563 1.00 0.00 C ATOM 446 CG GLN A 29 21.747 27.684 -7.779 1.00 0.00 C ATOM 447 CD GLN A 29 22.257 26.849 -6.605 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.013 25.893 -6.790 1.00 0.00 O ATOM 449 NE2 GLN A 29 21.875 27.222 -5.394 1.00 0.00 N ATOM 0 H GLN A 29 18.024 29.023 -7.507 1.00 0.00 H new ATOM 0 HA GLN A 29 19.309 26.975 -8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.249 29.166 -8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.264 28.595 -6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 29 21.734 27.063 -8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.449 28.497 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 29 21.248 28.019 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 29 22.207 26.713 -4.575 1.00 0.00 H new ATOM 458 N GLU A 30 18.617 26.308 -5.772 1.00 0.00 N ATOM 459 CA GLU A 30 18.512 25.263 -4.783 1.00 0.00 C ATOM 460 C GLU A 30 17.573 24.167 -5.283 1.00 0.00 C ATOM 461 O GLU A 30 17.860 22.966 -5.164 1.00 0.00 O ATOM 462 CB GLU A 30 17.969 25.863 -3.487 1.00 0.00 C ATOM 463 CG GLU A 30 17.775 24.855 -2.371 1.00 0.00 C ATOM 464 CD GLU A 30 19.070 24.206 -1.928 1.00 0.00 C ATOM 465 OE1 GLU A 30 20.097 24.906 -1.829 1.00 0.00 O ATOM 466 OE2 GLU A 30 19.066 22.988 -1.684 1.00 0.00 O ATOM 0 H GLU A 30 18.214 27.198 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 30 19.494 24.826 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.652 26.640 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.015 26.347 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.313 25.351 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.083 24.082 -2.704 1.00 0.00 H new ATOM 473 N GLU A 31 16.467 24.601 -5.856 1.00 0.00 N ATOM 474 CA GLU A 31 15.460 23.735 -6.371 1.00 0.00 C ATOM 475 C GLU A 31 15.968 22.960 -7.592 1.00 0.00 C ATOM 476 O GLU A 31 15.670 21.780 -7.754 1.00 0.00 O ATOM 477 CB GLU A 31 14.211 24.560 -6.679 1.00 0.00 C ATOM 478 CG GLU A 31 13.012 23.735 -7.050 1.00 0.00 C ATOM 479 CD GLU A 31 11.712 24.495 -6.904 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.683 25.699 -7.228 1.00 0.00 O ATOM 481 OE2 GLU A 31 10.721 23.904 -6.411 1.00 0.00 O ATOM 0 H GLU A 31 16.252 25.591 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 31 15.201 22.983 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.966 25.168 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.434 25.247 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.115 23.394 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.980 22.845 -6.422 1.00 0.00 H new ATOM 488 N LEU A 32 16.756 23.628 -8.426 1.00 0.00 N ATOM 489 CA LEU A 32 17.350 23.001 -9.611 1.00 0.00 C ATOM 490 C LEU A 32 18.256 21.840 -9.210 1.00 0.00 C ATOM 491 O LEU A 32 18.173 20.743 -9.772 1.00 0.00 O ATOM 492 CB LEU A 32 18.173 24.026 -10.401 1.00 0.00 C ATOM 493 CG LEU A 32 17.408 24.945 -11.349 1.00 0.00 C ATOM 494 CD1 LEU A 32 15.918 24.905 -11.073 1.00 0.00 C ATOM 495 CD2 LEU A 32 17.913 26.362 -11.226 1.00 0.00 C ATOM 0 H LEU A 32 17.002 24.610 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 32 16.538 22.625 -10.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.713 24.649 -9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.920 23.485 -10.982 1.00 0.00 H new ATOM 0 HG LEU A 32 17.577 24.589 -12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.402 25.570 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.551 23.887 -11.206 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.729 25.228 -10.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.358 27.006 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.773 26.711 -10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.973 26.394 -11.478 1.00 0.00 H new ATOM 507 N LYS A 33 19.107 22.093 -8.218 1.00 0.00 N ATOM 508 CA LYS A 33 20.039 21.103 -7.710 1.00 0.00 C ATOM 509 C LYS A 33 19.295 19.968 -7.019 1.00 0.00 C ATOM 510 O LYS A 33 19.676 18.800 -7.130 1.00 0.00 O ATOM 511 CB LYS A 33 21.060 21.774 -6.788 1.00 0.00 C ATOM 512 CG LYS A 33 22.196 20.873 -6.334 1.00 0.00 C ATOM 513 CD LYS A 33 23.265 21.684 -5.618 1.00 0.00 C ATOM 514 CE LYS A 33 24.431 20.817 -5.180 1.00 0.00 C ATOM 515 NZ LYS A 33 24.055 19.894 -4.087 1.00 0.00 N ATOM 0 H LYS A 33 19.166 22.995 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 33 20.586 20.661 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.483 22.636 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.540 22.152 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.811 20.100 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.632 20.365 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.626 22.472 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.828 22.173 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.795 20.242 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.252 21.453 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.899 19.381 -3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.653 20.437 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.349 19.214 -4.434 1.00 0.00 H new ATOM 529 N LYS A 34 18.220 20.320 -6.308 1.00 0.00 N ATOM 530 CA LYS A 34 17.387 19.335 -5.627 1.00 0.00 C ATOM 531 C LYS A 34 16.753 18.384 -6.642 1.00 0.00 C ATOM 532 O LYS A 34 16.711 17.169 -6.429 1.00 0.00 O ATOM 533 CB LYS A 34 16.304 20.025 -4.780 1.00 0.00 C ATOM 534 CG LYS A 34 15.475 19.057 -3.949 1.00 0.00 C ATOM 535 CD LYS A 34 14.462 19.783 -3.084 1.00 0.00 C ATOM 536 CE LYS A 34 13.650 18.808 -2.246 1.00 0.00 C ATOM 537 NZ LYS A 34 12.682 19.507 -1.367 1.00 0.00 N ATOM 0 H LYS A 34 17.909 21.284 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 34 18.020 18.755 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.779 20.747 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.641 20.586 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.957 18.362 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.135 18.464 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.977 20.486 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.793 20.367 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.114 18.123 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.323 18.205 -1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.148 18.807 -0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.194 20.142 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.023 20.063 -1.949 1.00 0.00 H new ATOM 551 N ALA A 35 16.284 18.946 -7.749 1.00 0.00 N ATOM 552 CA ALA A 35 15.681 18.161 -8.818 1.00 0.00 C ATOM 553 C ALA A 35 16.673 17.141 -9.362 1.00 0.00 C ATOM 554 O ALA A 35 16.340 15.966 -9.529 1.00 0.00 O ATOM 555 CB ALA A 35 15.202 19.076 -9.941 1.00 0.00 C ATOM 0 H ALA A 35 16.310 19.949 -7.930 1.00 0.00 H new ATOM 0 HA ALA A 35 14.824 17.626 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.754 18.476 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.461 19.774 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.049 19.633 -10.343 1.00 0.00 H new ATOM 561 N TYR A 36 17.903 17.591 -9.612 1.00 0.00 N ATOM 562 CA TYR A 36 18.937 16.717 -10.145 1.00 0.00 C ATOM 563 C TYR A 36 19.212 15.549 -9.209 1.00 0.00 C ATOM 564 O TYR A 36 19.293 14.411 -9.651 1.00 0.00 O ATOM 565 CB TYR A 36 20.231 17.486 -10.417 1.00 0.00 C ATOM 566 CG TYR A 36 21.375 16.604 -10.893 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.421 16.137 -12.203 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.402 16.243 -10.033 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.455 15.333 -12.642 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.442 15.439 -10.464 1.00 0.00 C ATOM 571 CZ TYR A 36 23.463 14.987 -11.770 1.00 0.00 C ATOM 572 OH TYR A 36 24.493 14.183 -12.206 1.00 0.00 O ATOM 0 H TYR A 36 18.203 18.553 -9.453 1.00 0.00 H new ATOM 0 HA TYR A 36 18.565 16.322 -11.090 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.037 18.252 -11.168 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.536 18.002 -9.506 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.633 16.408 -12.890 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.389 16.595 -9.012 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.473 14.978 -13.662 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.234 15.166 -9.783 1.00 0.00 H new ATOM 0 HH TYR A 36 25.124 14.032 -11.471 1.00 0.00 H new ATOM 582 N ARG A 37 19.351 15.831 -7.913 1.00 0.00 N ATOM 583 CA ARG A 37 19.615 14.769 -6.935 1.00 0.00 C ATOM 584 C ARG A 37 18.487 13.740 -6.931 1.00 0.00 C ATOM 585 O ARG A 37 18.736 12.537 -6.891 1.00 0.00 O ATOM 586 CB ARG A 37 19.823 15.341 -5.522 1.00 0.00 C ATOM 587 CG ARG A 37 19.987 14.266 -4.453 1.00 0.00 C ATOM 588 CD ARG A 37 20.303 14.854 -3.088 1.00 0.00 C ATOM 589 NE ARG A 37 20.378 13.813 -2.062 1.00 0.00 N ATOM 590 CZ ARG A 37 21.513 13.271 -1.609 1.00 0.00 C ATOM 591 NH1 ARG A 37 22.686 13.690 -2.063 1.00 0.00 N ATOM 592 NH2 ARG A 37 21.470 12.313 -0.691 1.00 0.00 N ATOM 0 H ARG A 37 19.287 16.769 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 37 20.538 14.273 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.706 15.980 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.973 15.973 -5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.072 13.677 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.785 13.584 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.250 15.392 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.536 15.580 -2.817 1.00 0.00 H new ATOM 0 HE ARG A 37 19.501 13.477 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 37 22.727 14.431 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 37 23.548 13.271 -1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.571 11.991 -0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.336 11.899 -0.345 1.00 0.00 H new ATOM 606 N LYS A 38 17.256 14.220 -6.991 1.00 0.00 N ATOM 607 CA LYS A 38 16.089 13.355 -7.006 1.00 0.00 C ATOM 608 C LYS A 38 16.114 12.421 -8.226 1.00 0.00 C ATOM 609 O LYS A 38 15.941 11.193 -8.100 1.00 0.00 O ATOM 610 CB LYS A 38 14.843 14.237 -7.062 1.00 0.00 C ATOM 611 CG LYS A 38 13.526 13.497 -7.150 1.00 0.00 C ATOM 612 CD LYS A 38 12.382 14.488 -7.258 1.00 0.00 C ATOM 613 CE LYS A 38 11.044 13.797 -7.409 1.00 0.00 C ATOM 614 NZ LYS A 38 9.944 14.777 -7.575 1.00 0.00 N ATOM 0 H LYS A 38 17.038 15.216 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 38 16.085 12.737 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.826 14.869 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.926 14.899 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.528 12.835 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.392 12.869 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.365 15.120 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.550 15.143 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.072 13.130 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.852 13.177 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.041 14.271 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.902 15.397 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.116 15.351 -8.425 1.00 0.00 H new ATOM 628 N LEU A 39 16.346 13.002 -9.394 1.00 0.00 N ATOM 629 CA LEU A 39 16.368 12.250 -10.637 1.00 0.00 C ATOM 630 C LEU A 39 17.546 11.310 -10.683 1.00 0.00 C ATOM 631 O LEU A 39 17.430 10.187 -11.138 1.00 0.00 O ATOM 632 CB LEU A 39 16.438 13.186 -11.806 1.00 0.00 C ATOM 633 CG LEU A 39 15.423 14.296 -11.797 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.570 15.176 -13.020 1.00 0.00 C ATOM 635 CD2 LEU A 39 14.001 13.759 -11.675 1.00 0.00 C ATOM 0 H LEU A 39 16.523 14.000 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 39 15.450 11.664 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.435 13.626 -11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.314 12.608 -12.722 1.00 0.00 H new ATOM 0 HG LEU A 39 15.616 14.907 -10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.824 15.970 -12.988 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.568 15.615 -13.034 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.424 14.577 -13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.297 14.591 -11.672 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.786 13.104 -12.519 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.903 13.197 -10.746 1.00 0.00 H new ATOM 647 N ALA A 40 18.682 11.791 -10.217 1.00 0.00 N ATOM 648 CA ALA A 40 19.922 11.003 -10.229 1.00 0.00 C ATOM 649 C ALA A 40 19.770 9.705 -9.472 1.00 0.00 C ATOM 650 O ALA A 40 20.208 8.658 -9.930 1.00 0.00 O ATOM 651 CB ALA A 40 21.078 11.808 -9.659 1.00 0.00 C ATOM 0 H ALA A 40 18.783 12.726 -9.822 1.00 0.00 H new ATOM 0 HA ALA A 40 20.138 10.760 -11.269 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.986 11.205 -9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.227 12.706 -10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.852 12.092 -8.631 1.00 0.00 H new ATOM 657 N LEU A 41 19.154 9.783 -8.321 1.00 0.00 N ATOM 658 CA LEU A 41 18.934 8.635 -7.495 1.00 0.00 C ATOM 659 C LEU A 41 17.989 7.637 -8.184 1.00 0.00 C ATOM 660 O LEU A 41 18.162 6.427 -8.066 1.00 0.00 O ATOM 661 CB LEU A 41 18.379 9.082 -6.153 1.00 0.00 C ATOM 662 CG LEU A 41 19.333 9.910 -5.287 1.00 0.00 C ATOM 663 CD1 LEU A 41 18.632 10.414 -4.042 1.00 0.00 C ATOM 664 CD2 LEU A 41 20.568 9.097 -4.913 1.00 0.00 C ATOM 0 H LEU A 41 18.790 10.653 -7.932 1.00 0.00 H new ATOM 0 HA LEU A 41 19.882 8.122 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.476 9.667 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.081 8.198 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 41 19.654 10.773 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 41 19.330 10.999 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.787 11.040 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.274 9.566 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 41 21.231 9.705 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.265 8.212 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.091 8.792 -5.819 1.00 0.00 H new ATOM 676 N LYS A 42 16.970 8.156 -8.871 1.00 0.00 N ATOM 677 CA LYS A 42 16.016 7.324 -9.582 1.00 0.00 C ATOM 678 C LYS A 42 16.543 6.753 -10.913 1.00 0.00 C ATOM 679 O LYS A 42 16.462 5.547 -11.159 1.00 0.00 O ATOM 680 CB LYS A 42 14.750 8.104 -9.826 1.00 0.00 C ATOM 681 CG LYS A 42 13.805 8.098 -8.658 1.00 0.00 C ATOM 682 CD LYS A 42 13.207 6.715 -8.449 1.00 0.00 C ATOM 683 CE LYS A 42 12.217 6.702 -7.303 1.00 0.00 C ATOM 684 NZ LYS A 42 12.887 6.905 -5.995 1.00 0.00 N ATOM 0 H LYS A 42 16.789 9.157 -8.946 1.00 0.00 H new ATOM 0 HA LYS A 42 15.826 6.463 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.009 9.135 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.241 7.691 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.333 8.410 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.007 8.821 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.710 6.391 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.005 6.000 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.473 7.484 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.683 5.752 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.202 6.756 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.670 6.227 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.260 7.875 -5.943 1.00 0.00 H new ATOM 698 N TYR A 43 17.088 7.610 -11.745 1.00 0.00 N ATOM 699 CA TYR A 43 17.501 7.227 -13.104 1.00 0.00 C ATOM 700 C TYR A 43 19.018 7.124 -13.244 1.00 0.00 C ATOM 701 O TYR A 43 19.559 7.373 -14.322 1.00 0.00 O ATOM 702 CB TYR A 43 16.940 8.223 -14.142 1.00 0.00 C ATOM 703 CG TYR A 43 15.424 8.335 -14.134 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.777 9.246 -13.303 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.643 7.531 -14.952 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.399 9.346 -13.291 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.268 7.627 -14.948 1.00 0.00 C ATOM 708 CZ TYR A 43 12.651 8.534 -14.116 1.00 0.00 C ATOM 709 OH TYR A 43 11.278 8.628 -14.105 1.00 0.00 O ATOM 0 H TYR A 43 17.263 8.588 -11.516 1.00 0.00 H new ATOM 0 HA TYR A 43 17.088 6.236 -13.293 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.368 9.208 -13.954 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.266 7.918 -15.136 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.362 9.885 -12.658 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.122 6.816 -15.605 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.911 10.056 -12.639 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.678 6.994 -15.594 1.00 0.00 H new ATOM 0 HH TYR A 43 10.901 7.988 -14.744 1.00 0.00 H new ATOM 719 N HIS A 44 19.694 6.770 -12.151 1.00 0.00 N ATOM 720 CA HIS A 44 21.154 6.586 -12.154 1.00 0.00 C ATOM 721 C HIS A 44 21.572 5.706 -13.342 1.00 0.00 C ATOM 722 O HIS A 44 21.229 4.530 -13.391 1.00 0.00 O ATOM 723 CB HIS A 44 21.601 5.932 -10.829 1.00 0.00 C ATOM 724 CG HIS A 44 23.087 5.963 -10.584 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.940 6.840 -11.219 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.863 5.228 -9.748 1.00 0.00 C ATOM 727 CE1 HIS A 44 25.174 6.646 -10.786 1.00 0.00 C ATOM 728 NE2 HIS A 44 25.151 5.671 -9.891 1.00 0.00 N ATOM 0 H HIS A 44 19.255 6.603 -11.245 1.00 0.00 H new ATOM 0 HA HIS A 44 21.635 7.559 -12.251 1.00 0.00 H new ATOM 0 HB2 HIS A 44 21.099 6.436 -10.003 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.266 4.895 -10.820 1.00 0.00 H new ATOM 0 HD2 HIS A 44 23.527 4.439 -9.091 1.00 0.00 H new ATOM 0 HE1 HIS A 44 26.050 7.190 -11.107 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.961 5.308 -9.389 1.00 0.00 H new ATOM 736 N PRO A 45 22.323 6.270 -14.312 1.00 0.00 N ATOM 737 CA PRO A 45 22.736 5.543 -15.529 1.00 0.00 C ATOM 738 C PRO A 45 23.665 4.385 -15.227 1.00 0.00 C ATOM 739 O PRO A 45 23.782 3.450 -16.008 1.00 0.00 O ATOM 740 CB PRO A 45 23.453 6.605 -16.355 1.00 0.00 C ATOM 741 CG PRO A 45 23.882 7.620 -15.369 1.00 0.00 C ATOM 742 CD PRO A 45 22.821 7.651 -14.310 1.00 0.00 C ATOM 0 HA PRO A 45 21.884 5.093 -16.039 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.306 6.184 -16.887 1.00 0.00 H new ATOM 0 HB3 PRO A 45 22.791 7.037 -17.106 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.851 7.362 -14.942 1.00 0.00 H new ATOM 0 HG3 PRO A 45 23.991 8.597 -15.839 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.227 7.934 -13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.033 8.366 -14.547 1.00 0.00 H new ATOM 750 N ASP A 46 24.315 4.450 -14.079 1.00 0.00 N ATOM 751 CA ASP A 46 25.208 3.389 -13.647 1.00 0.00 C ATOM 752 C ASP A 46 24.391 2.241 -13.037 1.00 0.00 C ATOM 753 O ASP A 46 24.890 1.140 -12.829 1.00 0.00 O ATOM 754 CB ASP A 46 26.212 3.930 -12.622 1.00 0.00 C ATOM 755 CG ASP A 46 27.320 2.947 -12.304 1.00 0.00 C ATOM 756 OD1 ASP A 46 28.276 2.838 -13.107 1.00 0.00 O ATOM 757 OD2 ASP A 46 27.249 2.296 -11.252 1.00 0.00 O ATOM 0 H ASP A 46 24.241 5.230 -13.426 1.00 0.00 H new ATOM 0 HA ASP A 46 25.760 3.013 -14.508 1.00 0.00 H new ATOM 0 HB2 ASP A 46 26.650 4.853 -13.003 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.684 4.184 -11.703 1.00 0.00 H new ATOM 762 N LYS A 47 23.121 2.519 -12.777 1.00 0.00 N ATOM 763 CA LYS A 47 22.212 1.544 -12.184 1.00 0.00 C ATOM 764 C LYS A 47 21.204 1.067 -13.241 1.00 0.00 C ATOM 765 O LYS A 47 20.845 -0.111 -13.296 1.00 0.00 O ATOM 766 CB LYS A 47 21.479 2.184 -10.991 1.00 0.00 C ATOM 767 CG LYS A 47 20.609 1.229 -10.181 1.00 0.00 C ATOM 768 CD LYS A 47 20.037 1.936 -8.958 1.00 0.00 C ATOM 769 CE LYS A 47 19.179 1.014 -8.103 1.00 0.00 C ATOM 770 NZ LYS A 47 17.933 0.607 -8.801 1.00 0.00 N ATOM 0 H LYS A 47 22.691 3.424 -12.970 1.00 0.00 H new ATOM 0 HA LYS A 47 22.778 0.683 -11.829 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.219 2.630 -10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.853 2.996 -11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.797 0.851 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.199 0.367 -9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.854 2.330 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.439 2.788 -9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.753 0.126 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.924 1.518 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.339 0.050 -8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.413 1.455 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.173 0.031 -9.633 1.00 0.00 H new ATOM 784 N ASN A 48 20.779 1.998 -14.082 1.00 0.00 N ATOM 785 CA ASN A 48 19.864 1.718 -15.184 1.00 0.00 C ATOM 786 C ASN A 48 20.438 2.299 -16.452 1.00 0.00 C ATOM 787 O ASN A 48 20.210 3.469 -16.774 1.00 0.00 O ATOM 788 CB ASN A 48 18.485 2.327 -14.938 1.00 0.00 C ATOM 789 CG ASN A 48 17.823 1.850 -13.660 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.981 0.703 -13.254 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.079 2.729 -13.014 1.00 0.00 N ATOM 0 H ASN A 48 21.060 2.977 -14.020 1.00 0.00 H new ATOM 0 HA ASN A 48 19.748 0.637 -15.268 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.579 3.412 -14.904 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.838 2.089 -15.782 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.613 2.463 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.971 3.674 -13.382 1.00 0.00 H new ATOM 798 N PRO A 49 21.204 1.502 -17.178 1.00 0.00 N ATOM 799 CA PRO A 49 21.851 1.918 -18.394 1.00 0.00 C ATOM 800 C PRO A 49 20.861 2.312 -19.483 1.00 0.00 C ATOM 801 O PRO A 49 21.183 3.101 -20.373 1.00 0.00 O ATOM 802 CB PRO A 49 22.640 0.685 -18.811 1.00 0.00 C ATOM 803 CG PRO A 49 21.963 -0.421 -18.143 1.00 0.00 C ATOM 804 CD PRO A 49 21.497 0.127 -16.862 1.00 0.00 C ATOM 0 HA PRO A 49 22.465 2.806 -18.242 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.636 0.558 -19.894 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.683 0.757 -18.502 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.129 -0.790 -18.740 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.640 -1.261 -17.988 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.615 -0.399 -16.496 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.260 0.046 -16.088 1.00 0.00 H new ATOM 812 N ASN A 50 19.651 1.774 -19.401 1.00 0.00 N ATOM 813 CA ASN A 50 18.614 2.073 -20.389 1.00 0.00 C ATOM 814 C ASN A 50 18.081 3.483 -20.217 1.00 0.00 C ATOM 815 O ASN A 50 17.534 4.065 -21.152 1.00 0.00 O ATOM 816 CB ASN A 50 17.449 1.072 -20.324 1.00 0.00 C ATOM 817 CG ASN A 50 17.853 -0.336 -20.725 1.00 0.00 C ATOM 818 OD1 ASN A 50 18.795 -0.535 -21.496 1.00 0.00 O ATOM 819 ND2 ASN A 50 17.135 -1.320 -20.220 1.00 0.00 N ATOM 0 H ASN A 50 19.361 1.130 -18.665 1.00 0.00 H new ATOM 0 HA ASN A 50 19.086 1.986 -21.368 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.049 1.054 -19.310 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.647 1.414 -20.978 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.351 -2.286 -20.464 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.363 -1.115 -19.585 1.00 0.00 H new ATOM 826 N GLU A 51 18.246 4.039 -19.017 1.00 0.00 N ATOM 827 CA GLU A 51 17.741 5.378 -18.733 1.00 0.00 C ATOM 828 C GLU A 51 18.833 6.446 -18.928 1.00 0.00 C ATOM 829 O GLU A 51 18.573 7.645 -18.787 1.00 0.00 O ATOM 830 CB GLU A 51 17.184 5.454 -17.310 1.00 0.00 C ATOM 831 CG GLU A 51 16.023 4.494 -17.037 1.00 0.00 C ATOM 832 CD GLU A 51 14.842 4.682 -17.982 1.00 0.00 C ATOM 833 OE1 GLU A 51 14.252 5.789 -18.001 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.489 3.710 -18.701 1.00 0.00 O ATOM 0 H GLU A 51 18.720 3.587 -18.235 1.00 0.00 H new ATOM 0 HA GLU A 51 16.937 5.581 -19.441 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.988 5.243 -16.605 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.851 6.474 -17.117 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.383 3.469 -17.119 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.682 4.631 -16.011 1.00 0.00 H new ATOM 841 N GLY A 52 20.045 6.005 -19.284 1.00 0.00 N ATOM 842 CA GLY A 52 21.166 6.928 -19.444 1.00 0.00 C ATOM 843 C GLY A 52 20.982 7.916 -20.586 1.00 0.00 C ATOM 844 O GLY A 52 21.439 9.051 -20.506 1.00 0.00 O ATOM 0 H GLY A 52 20.270 5.027 -19.464 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.306 7.481 -18.515 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.077 6.354 -19.614 1.00 0.00 H new ATOM 848 N GLU A 53 20.316 7.484 -21.647 1.00 0.00 N ATOM 849 CA GLU A 53 20.061 8.351 -22.794 1.00 0.00 C ATOM 850 C GLU A 53 19.199 9.540 -22.366 1.00 0.00 C ATOM 851 O GLU A 53 19.427 10.677 -22.774 1.00 0.00 O ATOM 852 CB GLU A 53 19.376 7.556 -23.908 1.00 0.00 C ATOM 853 CG GLU A 53 19.105 8.356 -25.175 1.00 0.00 C ATOM 854 CD GLU A 53 18.518 7.502 -26.278 1.00 0.00 C ATOM 855 OE1 GLU A 53 17.299 7.244 -26.251 1.00 0.00 O ATOM 856 OE2 GLU A 53 19.279 7.070 -27.170 1.00 0.00 O ATOM 0 H GLU A 53 19.942 6.540 -21.740 1.00 0.00 H new ATOM 0 HA GLU A 53 21.008 8.731 -23.176 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.998 6.698 -24.161 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.431 7.165 -23.531 1.00 0.00 H new ATOM 0 HG2 GLU A 53 18.420 9.173 -24.947 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.034 8.807 -25.523 1.00 0.00 H new ATOM 863 N LYS A 54 18.225 9.252 -21.533 1.00 0.00 N ATOM 864 CA LYS A 54 17.362 10.249 -20.957 1.00 0.00 C ATOM 865 C LYS A 54 18.146 11.139 -19.997 1.00 0.00 C ATOM 866 O LYS A 54 17.940 12.357 -19.924 1.00 0.00 O ATOM 867 CB LYS A 54 16.236 9.558 -20.246 1.00 0.00 C ATOM 868 CG LYS A 54 15.161 9.049 -21.186 1.00 0.00 C ATOM 869 CD LYS A 54 14.240 8.105 -20.481 1.00 0.00 C ATOM 870 CE LYS A 54 13.481 8.771 -19.341 1.00 0.00 C ATOM 871 NZ LYS A 54 12.637 7.797 -18.602 1.00 0.00 N ATOM 0 H LYS A 54 18.009 8.301 -21.234 1.00 0.00 H new ATOM 0 HA LYS A 54 16.956 10.886 -21.743 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.635 8.721 -19.673 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.788 10.248 -19.531 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.592 9.889 -21.584 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.623 8.546 -22.036 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.527 7.695 -21.197 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.815 7.266 -20.089 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.189 9.234 -18.654 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.854 9.569 -19.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.109 8.292 -17.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.968 7.348 -19.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.242 7.068 -18.173 1.00 0.00 H new ATOM 885 N PHE A 55 19.057 10.509 -19.267 1.00 0.00 N ATOM 886 CA PHE A 55 19.888 11.187 -18.286 1.00 0.00 C ATOM 887 C PHE A 55 20.766 12.257 -18.948 1.00 0.00 C ATOM 888 O PHE A 55 21.168 13.230 -18.298 1.00 0.00 O ATOM 889 CB PHE A 55 20.756 10.167 -17.534 1.00 0.00 C ATOM 890 CG PHE A 55 21.347 10.697 -16.257 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.539 10.945 -15.159 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.705 10.948 -16.154 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.078 11.434 -13.980 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.251 11.436 -14.981 1.00 0.00 C ATOM 895 CZ PHE A 55 22.436 11.679 -13.893 1.00 0.00 C ATOM 0 H PHE A 55 19.240 9.508 -19.341 1.00 0.00 H new ATOM 0 HA PHE A 55 19.234 11.688 -17.573 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.153 9.288 -17.307 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.564 9.839 -18.188 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.478 10.755 -15.223 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.347 10.760 -17.002 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.439 11.623 -13.130 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.312 11.627 -14.916 1.00 0.00 H new ATOM 0 HZ PHE A 55 22.859 12.060 -12.975 1.00 0.00 H new ATOM 905 N LYS A 56 21.059 12.069 -20.233 1.00 0.00 N ATOM 906 CA LYS A 56 21.829 13.044 -21.001 1.00 0.00 C ATOM 907 C LYS A 56 21.086 14.377 -21.026 1.00 0.00 C ATOM 908 O LYS A 56 21.691 15.439 -20.880 1.00 0.00 O ATOM 909 CB LYS A 56 22.056 12.533 -22.426 1.00 0.00 C ATOM 910 CG LYS A 56 22.978 11.321 -22.510 1.00 0.00 C ATOM 911 CD LYS A 56 23.055 10.764 -23.927 1.00 0.00 C ATOM 912 CE LYS A 56 23.680 11.758 -24.899 1.00 0.00 C ATOM 913 NZ LYS A 56 23.766 11.203 -26.275 1.00 0.00 N ATOM 0 H LYS A 56 20.773 11.247 -20.766 1.00 0.00 H new ATOM 0 HA LYS A 56 22.800 13.188 -20.528 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.093 12.275 -22.867 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.476 13.339 -23.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.977 11.600 -22.175 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.620 10.545 -21.833 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.640 9.844 -23.923 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.053 10.504 -24.269 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.089 12.674 -24.913 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.678 12.027 -24.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.196 11.908 -26.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.351 10.343 -26.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.811 10.969 -26.615 1.00 0.00 H new ATOM 927 N GLN A 57 19.757 14.306 -21.190 1.00 0.00 N ATOM 928 CA GLN A 57 18.909 15.462 -21.162 1.00 0.00 C ATOM 929 C GLN A 57 19.033 16.171 -19.831 1.00 0.00 C ATOM 930 O GLN A 57 19.216 17.392 -19.770 1.00 0.00 O ATOM 931 CB GLN A 57 17.477 15.003 -21.336 1.00 0.00 C ATOM 932 CG GLN A 57 17.182 14.453 -22.695 1.00 0.00 C ATOM 933 CD GLN A 57 15.778 13.891 -22.822 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.521 12.744 -22.461 1.00 0.00 O ATOM 935 NE2 GLN A 57 14.872 14.687 -23.356 1.00 0.00 N ATOM 0 H GLN A 57 19.257 13.431 -21.345 1.00 0.00 H new ATOM 0 HA GLN A 57 19.200 16.147 -21.958 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.256 14.240 -20.589 1.00 0.00 H new ATOM 0 HB3 GLN A 57 16.810 15.842 -21.141 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.319 15.241 -23.436 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.902 13.668 -22.926 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.128 15.632 -23.642 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.915 14.358 -23.483 1.00 0.00 H new ATOM 944 N ILE A 58 18.954 15.389 -18.768 1.00 0.00 N ATOM 945 CA ILE A 58 19.030 15.920 -17.418 1.00 0.00 C ATOM 946 C ILE A 58 20.389 16.569 -17.163 1.00 0.00 C ATOM 947 O ILE A 58 20.473 17.672 -16.616 1.00 0.00 O ATOM 948 CB ILE A 58 18.807 14.801 -16.377 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.389 14.271 -16.466 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.077 15.308 -14.984 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.138 13.039 -15.625 1.00 0.00 C ATOM 0 H ILE A 58 18.836 14.377 -18.815 1.00 0.00 H new ATOM 0 HA ILE A 58 18.247 16.672 -17.318 1.00 0.00 H new ATOM 0 HB ILE A 58 19.503 13.991 -16.595 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.699 15.056 -16.157 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.163 14.040 -17.507 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.914 14.504 -14.266 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.109 15.652 -14.916 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.403 16.135 -14.761 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.102 12.723 -15.743 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.802 12.237 -15.948 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.330 13.269 -14.577 1.00 0.00 H new ATOM 963 N SER A 59 21.440 15.892 -17.589 1.00 0.00 N ATOM 964 CA SER A 59 22.799 16.360 -17.370 1.00 0.00 C ATOM 965 C SER A 59 23.053 17.743 -18.004 1.00 0.00 C ATOM 966 O SER A 59 23.662 18.613 -17.377 1.00 0.00 O ATOM 967 CB SER A 59 23.802 15.337 -17.908 1.00 0.00 C ATOM 968 OG SER A 59 23.627 14.070 -17.282 1.00 0.00 O ATOM 0 H SER A 59 21.378 15.008 -18.094 1.00 0.00 H new ATOM 0 HA SER A 59 22.934 16.470 -16.294 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.678 15.234 -18.986 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.818 15.694 -17.737 1.00 0.00 H new ATOM 0 HG SER A 59 22.777 13.677 -17.571 1.00 0.00 H new ATOM 974 N GLN A 60 22.573 17.945 -19.238 1.00 0.00 N ATOM 975 CA GLN A 60 22.776 19.194 -19.947 1.00 0.00 C ATOM 976 C GLN A 60 22.081 20.345 -19.243 1.00 0.00 C ATOM 977 O GLN A 60 22.697 21.382 -18.956 1.00 0.00 O ATOM 978 CB GLN A 60 22.233 19.058 -21.346 1.00 0.00 C ATOM 979 CG GLN A 60 22.923 18.003 -22.184 1.00 0.00 C ATOM 980 CD GLN A 60 22.337 17.890 -23.589 1.00 0.00 C ATOM 981 OE1 GLN A 60 21.777 18.851 -24.125 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.466 16.718 -24.192 1.00 0.00 N ATOM 0 H GLN A 60 22.040 17.249 -19.760 1.00 0.00 H new ATOM 0 HA GLN A 60 23.844 19.409 -19.974 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.170 18.822 -21.289 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.319 20.020 -21.851 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.985 18.239 -22.256 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.844 17.038 -21.683 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.936 15.948 -23.715 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.096 16.585 -25.133 1.00 0.00 H new ATOM 991 N ALA A 61 20.809 20.154 -18.950 1.00 0.00 N ATOM 992 CA ALA A 61 20.024 21.176 -18.281 1.00 0.00 C ATOM 993 C ALA A 61 20.611 21.469 -16.924 1.00 0.00 C ATOM 994 O ALA A 61 20.770 22.614 -16.566 1.00 0.00 O ATOM 995 CB ALA A 61 18.582 20.747 -18.166 1.00 0.00 C ATOM 0 H ALA A 61 20.296 19.299 -19.165 1.00 0.00 H new ATOM 0 HA ALA A 61 20.053 22.090 -18.875 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.010 21.526 -17.662 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.171 20.582 -19.162 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.522 19.823 -17.591 1.00 0.00 H new ATOM 1001 N TYR A 62 20.977 20.425 -16.188 1.00 0.00 N ATOM 1002 CA TYR A 62 21.606 20.606 -14.892 1.00 0.00 C ATOM 1003 C TYR A 62 22.892 21.415 -15.007 1.00 0.00 C ATOM 1004 O TYR A 62 23.160 22.271 -14.170 1.00 0.00 O ATOM 1005 CB TYR A 62 21.895 19.265 -14.210 1.00 0.00 C ATOM 1006 CG TYR A 62 22.684 19.403 -12.918 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.110 19.956 -11.781 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.006 18.976 -12.844 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.828 20.081 -10.606 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.733 19.098 -11.676 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.139 19.650 -10.558 1.00 0.00 C ATOM 1012 OH TYR A 62 24.855 19.770 -9.386 1.00 0.00 O ATOM 0 H TYR A 62 20.849 19.452 -16.467 1.00 0.00 H new ATOM 0 HA TYR A 62 20.898 21.160 -14.275 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.951 18.762 -13.999 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.449 18.627 -14.899 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.085 20.294 -11.815 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.472 18.541 -13.716 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.366 20.513 -9.731 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.759 18.764 -11.637 1.00 0.00 H new ATOM 0 HH TYR A 62 25.761 19.420 -9.519 1.00 0.00 H new ATOM 1022 N GLU A 63 23.678 21.144 -16.054 1.00 0.00 N ATOM 1023 CA GLU A 63 24.960 21.811 -16.254 1.00 0.00 C ATOM 1024 C GLU A 63 24.807 23.333 -16.208 1.00 0.00 C ATOM 1025 O GLU A 63 25.545 24.023 -15.504 1.00 0.00 O ATOM 1026 CB GLU A 63 25.576 21.397 -17.590 1.00 0.00 C ATOM 1027 CG GLU A 63 26.962 21.964 -17.822 1.00 0.00 C ATOM 1028 CD GLU A 63 27.433 21.793 -19.243 1.00 0.00 C ATOM 1029 OE1 GLU A 63 27.700 20.655 -19.661 1.00 0.00 O ATOM 1030 OE2 GLU A 63 27.546 22.818 -19.953 1.00 0.00 O ATOM 0 H GLU A 63 23.444 20.464 -16.777 1.00 0.00 H new ATOM 0 HA GLU A 63 25.621 21.505 -15.443 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.626 20.309 -17.636 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.920 21.721 -18.398 1.00 0.00 H new ATOM 0 HG2 GLU A 63 26.963 23.024 -17.569 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.667 21.475 -17.149 1.00 0.00 H new ATOM 1037 N VAL A 64 23.868 23.841 -16.963 1.00 0.00 N ATOM 1038 CA VAL A 64 23.601 25.261 -17.000 1.00 0.00 C ATOM 1039 C VAL A 64 22.670 25.726 -15.840 1.00 0.00 C ATOM 1040 O VAL A 64 22.853 26.801 -15.297 1.00 0.00 O ATOM 1041 CB VAL A 64 23.059 25.671 -18.394 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.566 24.460 -19.159 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.969 26.695 -18.279 1.00 0.00 C ATOM 0 H VAL A 64 23.266 23.285 -17.570 1.00 0.00 H new ATOM 0 HA VAL A 64 24.545 25.781 -16.840 1.00 0.00 H new ATOM 0 HB VAL A 64 23.885 26.119 -18.947 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.191 24.773 -20.133 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.387 23.757 -19.295 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.765 23.978 -18.599 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.612 26.960 -19.274 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.145 26.285 -17.695 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.357 27.585 -17.784 1.00 0.00 H new ATOM 1053 N LEU A 65 21.698 24.898 -15.471 1.00 0.00 N ATOM 1054 CA LEU A 65 20.746 25.227 -14.389 1.00 0.00 C ATOM 1055 C LEU A 65 21.442 25.390 -13.044 1.00 0.00 C ATOM 1056 O LEU A 65 21.081 26.264 -12.256 1.00 0.00 O ATOM 1057 CB LEU A 65 19.594 24.198 -14.305 1.00 0.00 C ATOM 1058 CG LEU A 65 18.329 24.505 -15.161 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.681 24.957 -16.574 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.403 23.291 -15.215 1.00 0.00 C ATOM 0 H LEU A 65 21.540 23.987 -15.901 1.00 0.00 H new ATOM 0 HA LEU A 65 20.306 26.191 -14.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.982 23.225 -14.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.288 24.111 -13.262 1.00 0.00 H new ATOM 0 HG LEU A 65 17.811 25.330 -14.672 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.766 25.159 -17.130 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.284 25.864 -16.526 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.246 24.172 -17.077 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.527 23.528 -15.818 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.933 22.449 -15.661 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.088 23.028 -14.205 1.00 0.00 H new ATOM 1072 N SER A 66 22.438 24.551 -12.777 1.00 0.00 N ATOM 1073 CA SER A 66 23.168 24.617 -11.522 1.00 0.00 C ATOM 1074 C SER A 66 24.078 25.864 -11.462 1.00 0.00 C ATOM 1075 O SER A 66 24.472 26.305 -10.372 1.00 0.00 O ATOM 1076 CB SER A 66 23.997 23.339 -11.311 1.00 0.00 C ATOM 1077 OG SER A 66 24.600 23.323 -10.027 1.00 0.00 O ATOM 0 H SER A 66 22.755 23.820 -13.413 1.00 0.00 H new ATOM 0 HA SER A 66 22.436 24.698 -10.718 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.357 22.464 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.768 23.272 -12.078 1.00 0.00 H new ATOM 0 HG SER A 66 25.119 22.499 -9.920 1.00 0.00 H new ATOM 1083 N ASP A 67 24.407 26.420 -12.621 1.00 0.00 N ATOM 1084 CA ASP A 67 25.253 27.600 -12.682 1.00 0.00 C ATOM 1085 C ASP A 67 24.434 28.817 -13.054 1.00 0.00 C ATOM 1086 O ASP A 67 23.975 28.947 -14.190 1.00 0.00 O ATOM 1087 CB ASP A 67 26.397 27.413 -13.674 1.00 0.00 C ATOM 1088 CG ASP A 67 27.333 28.605 -13.693 1.00 0.00 C ATOM 1089 OD1 ASP A 67 28.248 28.664 -12.841 1.00 0.00 O ATOM 1090 OD2 ASP A 67 27.162 29.487 -14.548 1.00 0.00 O ATOM 0 H ASP A 67 24.100 26.072 -13.529 1.00 0.00 H new ATOM 0 HA ASP A 67 25.686 27.751 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.958 26.515 -13.415 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.989 27.257 -14.673 1.00 0.00 H new ATOM 1095 N ALA A 68 24.258 29.712 -12.099 1.00 0.00 N ATOM 1096 CA ALA A 68 23.449 30.904 -12.290 1.00 0.00 C ATOM 1097 C ALA A 68 23.898 31.734 -13.492 1.00 0.00 C ATOM 1098 O ALA A 68 23.081 32.416 -14.110 1.00 0.00 O ATOM 1099 CB ALA A 68 23.458 31.754 -11.024 1.00 0.00 C ATOM 0 H ALA A 68 24.671 29.634 -11.170 1.00 0.00 H new ATOM 0 HA ALA A 68 22.432 30.571 -12.498 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.849 32.644 -11.179 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.051 31.176 -10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.481 32.050 -10.792 1.00 0.00 H new ATOM 1105 N LYS A 69 25.185 31.688 -13.822 1.00 0.00 N ATOM 1106 CA LYS A 69 25.682 32.476 -14.931 1.00 0.00 C ATOM 1107 C LYS A 69 25.213 31.882 -16.252 1.00 0.00 C ATOM 1108 O LYS A 69 24.617 32.565 -17.070 1.00 0.00 O ATOM 1109 CB LYS A 69 27.213 32.573 -14.914 1.00 0.00 C ATOM 1110 CG LYS A 69 27.771 33.501 -15.982 1.00 0.00 C ATOM 1111 CD LYS A 69 29.286 33.552 -15.947 1.00 0.00 C ATOM 1112 CE LYS A 69 29.831 34.497 -17.002 1.00 0.00 C ATOM 1113 NZ LYS A 69 31.317 34.522 -17.016 1.00 0.00 N ATOM 0 H LYS A 69 25.887 31.123 -13.344 1.00 0.00 H new ATOM 0 HA LYS A 69 25.281 33.484 -14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 69 27.537 32.923 -13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 69 27.634 31.577 -15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.441 33.164 -16.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 27.370 34.504 -15.838 1.00 0.00 H new ATOM 0 HD2 LYS A 69 29.618 33.875 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.689 32.552 -16.108 1.00 0.00 H new ATOM 0 HE2 LYS A 69 29.465 34.195 -17.983 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.454 35.503 -16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.646 35.180 -17.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 31.668 34.835 -16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.678 33.568 -17.218 1.00 0.00 H new ATOM 1127 N LYS A 70 25.447 30.587 -16.427 1.00 0.00 N ATOM 1128 CA LYS A 70 25.082 29.892 -17.650 1.00 0.00 C ATOM 1129 C LYS A 70 23.584 29.871 -17.819 1.00 0.00 C ATOM 1130 O LYS A 70 23.073 30.017 -18.928 1.00 0.00 O ATOM 1131 CB LYS A 70 25.656 28.490 -17.624 1.00 0.00 C ATOM 1132 CG LYS A 70 27.178 28.495 -17.631 1.00 0.00 C ATOM 1133 CD LYS A 70 27.765 27.128 -17.368 1.00 0.00 C ATOM 1134 CE LYS A 70 27.402 26.141 -18.448 1.00 0.00 C ATOM 1135 NZ LYS A 70 28.076 24.842 -18.236 1.00 0.00 N ATOM 0 H LYS A 70 25.893 29.994 -15.727 1.00 0.00 H new ATOM 0 HA LYS A 70 25.499 30.421 -18.507 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.300 27.969 -16.735 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.292 27.933 -18.487 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.532 28.859 -18.596 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.539 29.193 -16.875 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.850 27.207 -17.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.410 26.760 -16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.322 25.995 -18.462 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.682 26.544 -19.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.705 24.144 -18.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 29.100 24.954 -18.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.898 24.513 -17.266 1.00 0.00 H new ATOM 1149 N ARG A 71 22.886 29.700 -16.708 1.00 0.00 N ATOM 1150 CA ARG A 71 21.438 29.718 -16.691 1.00 0.00 C ATOM 1151 C ARG A 71 20.937 31.047 -17.240 1.00 0.00 C ATOM 1152 O ARG A 71 19.999 31.092 -18.032 1.00 0.00 O ATOM 1153 CB ARG A 71 20.929 29.509 -15.247 1.00 0.00 C ATOM 1154 CG ARG A 71 19.417 29.436 -15.124 1.00 0.00 C ATOM 1155 CD ARG A 71 18.988 29.189 -13.689 1.00 0.00 C ATOM 1156 NE ARG A 71 17.535 29.217 -13.546 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.893 29.606 -12.448 1.00 0.00 C ATOM 1158 NH1 ARG A 71 17.573 30.015 -11.372 1.00 0.00 N ATOM 1159 NH2 ARG A 71 15.571 29.598 -12.428 1.00 0.00 N ATOM 0 H ARG A 71 23.311 29.545 -15.794 1.00 0.00 H new ATOM 0 HA ARG A 71 21.058 28.911 -17.317 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.359 28.589 -14.852 1.00 0.00 H new ATOM 0 HB3 ARG A 71 21.294 30.325 -14.623 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.976 30.366 -15.482 1.00 0.00 H new ATOM 0 HG3 ARG A 71 19.037 28.638 -15.761 1.00 0.00 H new ATOM 0 HD2 ARG A 71 19.368 28.223 -13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.432 29.945 -13.041 1.00 0.00 H new ATOM 0 HE ARG A 71 16.974 28.918 -14.343 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.593 30.031 -11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.072 30.312 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.050 29.295 -13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.072 29.895 -11.590 1.00 0.00 H new ATOM 1173 N GLU A 72 21.600 32.113 -16.833 1.00 0.00 N ATOM 1174 CA GLU A 72 21.239 33.436 -17.211 1.00 0.00 C ATOM 1175 C GLU A 72 21.578 33.696 -18.673 1.00 0.00 C ATOM 1176 O GLU A 72 20.788 34.295 -19.403 1.00 0.00 O ATOM 1177 CB GLU A 72 21.946 34.423 -16.304 1.00 0.00 C ATOM 1178 CG GLU A 72 21.646 35.855 -16.618 1.00 0.00 C ATOM 1179 CD GLU A 72 22.327 36.802 -15.668 1.00 0.00 C ATOM 1180 OE1 GLU A 72 23.543 37.037 -15.825 1.00 0.00 O ATOM 1181 OE2 GLU A 72 21.657 37.308 -14.746 1.00 0.00 O ATOM 0 H GLU A 72 22.415 32.067 -16.221 1.00 0.00 H new ATOM 0 HA GLU A 72 20.162 33.559 -17.102 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.663 34.220 -15.271 1.00 0.00 H new ATOM 0 HB3 GLU A 72 23.022 34.263 -16.377 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.963 36.075 -17.637 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.569 36.016 -16.578 1.00 0.00 H new ATOM 1188 N LEU A 73 22.749 33.226 -19.104 1.00 0.00 N ATOM 1189 CA LEU A 73 23.183 33.407 -20.464 1.00 0.00 C ATOM 1190 C LEU A 73 22.255 32.670 -21.406 1.00 0.00 C ATOM 1191 O LEU A 73 21.890 33.181 -22.464 1.00 0.00 O ATOM 1192 CB LEU A 73 24.599 32.879 -20.632 1.00 0.00 C ATOM 1193 CG LEU A 73 25.621 33.385 -19.622 1.00 0.00 C ATOM 1194 CD1 LEU A 73 27.015 32.943 -19.998 1.00 0.00 C ATOM 1195 CD2 LEU A 73 25.536 34.892 -19.445 1.00 0.00 C ATOM 0 H LEU A 73 23.408 32.716 -18.516 1.00 0.00 H new ATOM 0 HA LEU A 73 23.165 34.471 -20.699 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.570 31.791 -20.576 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.946 33.138 -21.632 1.00 0.00 H new ATOM 0 HG LEU A 73 25.383 32.940 -18.656 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.726 33.317 -19.262 1.00 0.00 H new ATOM 0 HD12 LEU A 73 27.057 31.854 -20.023 1.00 0.00 H new ATOM 0 HD13 LEU A 73 27.269 33.339 -20.981 1.00 0.00 H new ATOM 0 HD21 LEU A 73 26.280 35.215 -18.717 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.726 35.382 -20.400 1.00 0.00 H new ATOM 0 HD23 LEU A 73 24.541 35.161 -19.091 1.00 0.00 H new ATOM 1207 N TYR A 74 21.878 31.455 -21.019 1.00 0.00 N ATOM 1208 CA TYR A 74 20.959 30.649 -21.812 1.00 0.00 C ATOM 1209 C TYR A 74 19.595 31.309 -21.866 1.00 0.00 C ATOM 1210 O TYR A 74 18.905 31.255 -22.874 1.00 0.00 O ATOM 1211 CB TYR A 74 20.831 29.240 -21.258 1.00 0.00 C ATOM 1212 CG TYR A 74 20.350 28.272 -22.306 1.00 0.00 C ATOM 1213 CD1 TYR A 74 21.255 27.618 -23.131 1.00 0.00 C ATOM 1214 CD2 TYR A 74 18.995 28.040 -22.502 1.00 0.00 C ATOM 1215 CE1 TYR A 74 20.827 26.762 -24.121 1.00 0.00 C ATOM 1216 CE2 TYR A 74 18.558 27.180 -23.486 1.00 0.00 C ATOM 1217 CZ TYR A 74 19.477 26.543 -24.295 1.00 0.00 C ATOM 1218 OH TYR A 74 19.039 25.704 -25.292 1.00 0.00 O ATOM 0 H TYR A 74 22.196 31.007 -20.159 1.00 0.00 H new ATOM 0 HA TYR A 74 21.367 30.578 -22.820 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.797 28.911 -20.874 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.137 29.241 -20.417 1.00 0.00 H new ATOM 0 HD1 TYR A 74 22.313 27.784 -22.994 1.00 0.00 H new ATOM 0 HD2 TYR A 74 18.273 28.541 -21.874 1.00 0.00 H new ATOM 0 HE1 TYR A 74 21.544 26.265 -24.757 1.00 0.00 H new ATOM 0 HE2 TYR A 74 17.501 27.005 -23.624 1.00 0.00 H new ATOM 0 HH TYR A 74 18.764 24.848 -24.902 1.00 0.00 H new ATOM 1228 N ASP A 75 19.214 31.921 -20.754 1.00 0.00 N ATOM 1229 CA ASP A 75 17.923 32.615 -20.634 1.00 0.00 C ATOM 1230 C ASP A 75 17.835 33.749 -21.656 1.00 0.00 C ATOM 1231 O ASP A 75 16.766 34.047 -22.189 1.00 0.00 O ATOM 1232 CB ASP A 75 17.758 33.181 -19.213 1.00 0.00 C ATOM 1233 CG ASP A 75 16.412 33.845 -18.990 1.00 0.00 C ATOM 1234 OD1 ASP A 75 16.221 34.991 -19.439 1.00 0.00 O ATOM 1235 OD2 ASP A 75 15.535 33.218 -18.347 1.00 0.00 O ATOM 0 H ASP A 75 19.783 31.955 -19.908 1.00 0.00 H new ATOM 0 HA ASP A 75 17.124 31.900 -20.829 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.883 32.375 -18.490 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.550 33.905 -19.023 1.00 0.00 H new ATOM 1240 N LYS A 76 18.980 34.363 -21.932 1.00 0.00 N ATOM 1241 CA LYS A 76 19.070 35.461 -22.892 1.00 0.00 C ATOM 1242 C LYS A 76 19.040 34.935 -24.319 1.00 0.00 C ATOM 1243 O LYS A 76 19.067 35.708 -25.280 1.00 0.00 O ATOM 1244 CB LYS A 76 20.363 36.244 -22.683 1.00 0.00 C ATOM 1245 CG LYS A 76 20.548 36.762 -21.278 1.00 0.00 C ATOM 1246 CD LYS A 76 19.424 37.682 -20.889 1.00 0.00 C ATOM 1247 CE LYS A 76 19.624 38.223 -19.479 1.00 0.00 C ATOM 1248 NZ LYS A 76 18.531 39.134 -19.061 1.00 0.00 N ATOM 0 H LYS A 76 19.870 34.116 -21.499 1.00 0.00 H new ATOM 0 HA LYS A 76 18.213 36.115 -22.731 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.208 35.604 -22.937 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.381 37.086 -23.375 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.595 35.925 -20.581 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.498 37.292 -21.204 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.366 38.510 -21.595 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.476 37.148 -20.946 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.686 37.390 -18.779 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.575 38.754 -19.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.713 39.475 -18.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.486 39.944 -19.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.626 38.623 -19.082 1.00 0.00 H new ATOM 1262 N GLY A 77 19.016 33.627 -24.446 1.00 0.00 N ATOM 1263 CA GLY A 77 19.022 33.006 -25.738 1.00 0.00 C ATOM 1264 C GLY A 77 17.644 32.966 -26.375 1.00 0.00 C ATOM 1265 O GLY A 77 17.341 33.847 -27.206 1.00 0.00 O ATOM 1266 OXT GLY A 77 16.855 32.064 -26.040 1.00 0.00 O ATOM 0 H GLY A 77 18.992 32.976 -23.662 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.705 33.546 -26.393 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.405 31.990 -25.646 1.00 0.00 H new TER 1270 GLY A 77