USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 965 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 47 HIS : no HE2:sc= 0.492 K(o=1,f=-1.4!) USER MOD Set 1.2: A 48 THR OG1 : rot 70:sc= 0.55 USER MOD Set 2.1: A 23 ASN : amide:sc= -1.58 K(o=-1,f=-2.5) USER MOD Set 2.2: A 91 LYS NZ :NH3+ 169:sc= 0.548 (180deg=0.00915) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.0465 (180deg=-0.172) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=-0.21) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0332) USER MOD Single : A 10 LYS NZ :NH3+ -123:sc= 0.363 (180deg=-2.41!) USER MOD Single : A 12 THR OG1 : rot 60:sc= 0.453 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc=-0.00232 (180deg=-0.102) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -1.96! K(o=-2!,f=-0.049) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0.808 (180deg=0.8) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= 0.834 (180deg=0.449) USER MOD Single : A 32 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.19) USER MOD Single : A 36 MET CE :methyl 165:sc= -0.0706 (180deg=-0.14) USER MOD Single : A 38 TYR OH : rot -170:sc= 0.34 USER MOD Single : A 40 ASN : amide:sc= -0.815 X(o=-0.81,f=-0.56) USER MOD Single : A 41 LYS NZ :NH3+ 141:sc= 0.213 (180deg=-1.56!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -175:sc= -0.676 (180deg=-0.785) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0.451 (180deg=0.451) USER MOD Single : A 53 THR OG1 : rot -84:sc= -2.3! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 149:sc= 0 (180deg=-0.53) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= -1.02 (180deg=-2.92!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -69:sc= 1.24 USER MOD Single : A 69 MET CE :methyl 168:sc= -1.13 (180deg=-1.62!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0.165 (180deg=0.151) USER MOD Single : A 75 MET CE :methyl -122:sc= -1.27 (180deg=-3.91!) USER MOD Single : A 77 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.019) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 71:sc= 0.00794 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -122:sc= 0.166 (180deg=-0.0733) USER MOD Single : A 106 SER OG : rot 123:sc= 0.175 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.382 5.929 29.125 1.00 3.33 N ATOM 2 CA MET A 1 -16.472 4.593 28.472 1.00 4.11 C ATOM 3 C MET A 1 -15.464 4.483 27.303 1.00 11.33 C ATOM 4 O MET A 1 -14.810 5.472 26.953 1.00 63.02 O ATOM 5 CB MET A 1 -17.923 4.342 27.977 1.00 63.30 C ATOM 6 CG MET A 1 -18.991 4.465 29.078 1.00 1.03 C ATOM 7 SD MET A 1 -18.682 3.338 30.457 1.00 21.13 S ATOM 8 CE MET A 1 -19.895 3.882 31.665 1.00 74.21 C ATOM 0 H1 MET A 1 -16.381 5.811 30.158 1.00 3.33 H new ATOM 0 H2 MET A 1 -15.504 6.401 28.829 1.00 3.33 H new ATOM 0 H3 MET A 1 -17.199 6.509 28.844 1.00 3.33 H new ATOM 0 HA MET A 1 -16.216 3.828 29.205 1.00 4.11 H new ATOM 0 HB2 MET A 1 -18.152 5.052 27.182 1.00 63.30 H new ATOM 0 HB3 MET A 1 -17.979 3.345 27.540 1.00 63.30 H new ATOM 0 HG2 MET A 1 -19.014 5.490 29.447 1.00 1.03 H new ATOM 0 HG3 MET A 1 -19.973 4.257 28.654 1.00 1.03 H new ATOM 0 HE1 MET A 1 -19.813 3.271 32.564 1.00 74.21 H new ATOM 0 HE2 MET A 1 -19.713 4.926 31.919 1.00 74.21 H new ATOM 0 HE3 MET A 1 -20.896 3.780 31.247 1.00 74.21 H new ATOM 20 N GLY A 2 -15.338 3.267 26.720 1.00 41.42 N ATOM 21 CA GLY A 2 -14.461 3.033 25.552 1.00 51.41 C ATOM 22 C GLY A 2 -15.044 3.584 24.242 1.00 44.31 C ATOM 23 O GLY A 2 -15.477 2.823 23.366 1.00 64.41 O ATOM 0 H GLY A 2 -15.833 2.435 27.041 1.00 41.42 H new ATOM 0 HA2 GLY A 2 -13.491 3.496 25.734 1.00 51.41 H new ATOM 0 HA3 GLY A 2 -14.288 1.962 25.444 1.00 51.41 H new ATOM 27 N SER A 3 -15.040 4.926 24.119 1.00 41.41 N ATOM 28 CA SER A 3 -15.649 5.653 22.982 1.00 13.34 C ATOM 29 C SER A 3 -14.872 5.400 21.671 1.00 71.50 C ATOM 30 O SER A 3 -13.696 5.768 21.572 1.00 50.12 O ATOM 31 CB SER A 3 -15.692 7.171 23.296 1.00 55.35 C ATOM 32 OG SER A 3 -16.349 7.422 24.535 1.00 11.14 O ATOM 0 H SER A 3 -14.612 5.542 24.810 1.00 41.41 H new ATOM 0 HA SER A 3 -16.664 5.282 22.843 1.00 13.34 H new ATOM 0 HB2 SER A 3 -14.677 7.566 23.333 1.00 55.35 H new ATOM 0 HB3 SER A 3 -16.210 7.697 22.494 1.00 55.35 H new ATOM 0 HG SER A 3 -16.361 8.386 24.710 1.00 11.14 H new ATOM 38 N HIS A 4 -15.534 4.726 20.697 1.00 0.50 N ATOM 39 CA HIS A 4 -14.989 4.478 19.333 1.00 71.42 C ATOM 40 C HIS A 4 -13.785 3.474 19.357 1.00 44.55 C ATOM 41 O HIS A 4 -12.932 3.476 18.460 1.00 53.32 O ATOM 42 CB HIS A 4 -14.635 5.845 18.652 1.00 52.22 C ATOM 43 CG HIS A 4 -14.339 5.797 17.173 1.00 1.40 C ATOM 44 ND1 HIS A 4 -13.145 6.223 16.638 1.00 44.42 N ATOM 45 CD2 HIS A 4 -15.107 5.429 16.117 1.00 43.31 C ATOM 46 CE1 HIS A 4 -13.186 6.128 15.331 1.00 33.31 C ATOM 47 NE2 HIS A 4 -14.364 5.648 14.981 1.00 33.33 N ATOM 0 H HIS A 4 -16.466 4.336 20.834 1.00 0.50 H new ATOM 0 HA HIS A 4 -15.754 3.993 18.728 1.00 71.42 H new ATOM 0 HB2 HIS A 4 -15.465 6.533 18.813 1.00 52.22 H new ATOM 0 HB3 HIS A 4 -13.768 6.267 19.161 1.00 52.22 H new ATOM 0 HD2 HIS A 4 -16.113 5.038 16.160 1.00 43.31 H new ATOM 0 HE1 HIS A 4 -12.389 6.398 14.654 1.00 33.31 H new ATOM 0 HE2 HIS A 4 -14.673 5.469 14.025 1.00 33.33 H new ATOM 56 N GLN A 5 -13.766 2.583 20.377 1.00 72.12 N ATOM 57 CA GLN A 5 -12.719 1.527 20.535 1.00 53.33 C ATOM 58 C GLN A 5 -12.753 0.494 19.370 1.00 34.14 C ATOM 59 O GLN A 5 -11.702 0.054 18.877 1.00 4.33 O ATOM 60 CB GLN A 5 -12.916 0.762 21.879 1.00 74.12 C ATOM 61 CG GLN A 5 -11.806 -0.285 22.194 1.00 32.23 C ATOM 62 CD GLN A 5 -12.256 -1.405 23.141 1.00 22.42 C ATOM 63 OE1 GLN A 5 -12.724 -2.456 22.705 1.00 73.32 O ATOM 64 NE2 GLN A 5 -12.127 -1.195 24.435 1.00 42.32 N ATOM 0 H GLN A 5 -14.470 2.570 21.115 1.00 72.12 H new ATOM 0 HA GLN A 5 -11.755 2.036 20.525 1.00 53.33 H new ATOM 0 HB2 GLN A 5 -12.956 1.486 22.692 1.00 74.12 H new ATOM 0 HB3 GLN A 5 -13.881 0.255 21.856 1.00 74.12 H new ATOM 0 HG2 GLN A 5 -11.464 -0.729 21.259 1.00 32.23 H new ATOM 0 HG3 GLN A 5 -10.951 0.228 22.635 1.00 32.23 H new ATOM 0 HE21 GLN A 5 -11.736 -0.315 24.772 1.00 42.32 H new ATOM 0 HE22 GLN A 5 -12.418 -1.912 25.100 1.00 42.32 H new ATOM 73 N GLU A 6 -13.984 0.130 18.950 1.00 5.42 N ATOM 74 CA GLU A 6 -14.243 -0.929 17.935 1.00 20.21 C ATOM 75 C GLU A 6 -13.529 -0.680 16.591 1.00 71.34 C ATOM 76 O GLU A 6 -13.145 -1.634 15.911 1.00 31.12 O ATOM 77 CB GLU A 6 -15.761 -1.076 17.679 1.00 25.44 C ATOM 78 CG GLU A 6 -16.575 -1.540 18.899 1.00 63.12 C ATOM 79 CD GLU A 6 -18.023 -1.910 18.539 1.00 74.14 C ATOM 80 OE1 GLU A 6 -18.214 -2.910 17.810 1.00 22.13 O ATOM 81 OE2 GLU A 6 -18.966 -1.209 18.963 1.00 15.33 O ATOM 0 H GLU A 6 -14.837 0.563 19.305 1.00 5.42 H new ATOM 0 HA GLU A 6 -13.835 -1.848 18.356 1.00 20.21 H new ATOM 0 HB2 GLU A 6 -16.153 -0.117 17.340 1.00 25.44 H new ATOM 0 HB3 GLU A 6 -15.912 -1.787 16.867 1.00 25.44 H new ATOM 0 HG2 GLU A 6 -16.085 -2.403 19.351 1.00 63.12 H new ATOM 0 HG3 GLU A 6 -16.582 -0.749 19.649 1.00 63.12 H new ATOM 88 N TYR A 7 -13.356 0.608 16.235 1.00 71.02 N ATOM 89 CA TYR A 7 -12.697 1.024 14.977 1.00 1.41 C ATOM 90 C TYR A 7 -11.291 0.388 14.836 1.00 50.10 C ATOM 91 O TYR A 7 -10.963 -0.197 13.804 1.00 23.11 O ATOM 92 CB TYR A 7 -12.602 2.568 14.920 1.00 13.45 C ATOM 93 CG TYR A 7 -12.051 3.113 13.591 1.00 55.24 C ATOM 94 CD1 TYR A 7 -12.851 3.138 12.449 1.00 60.21 C ATOM 95 CD2 TYR A 7 -10.735 3.582 13.475 1.00 61.42 C ATOM 96 CE1 TYR A 7 -12.368 3.605 11.243 1.00 63.25 C ATOM 97 CE2 TYR A 7 -10.252 4.055 12.269 1.00 3.43 C ATOM 98 CZ TYR A 7 -11.072 4.061 11.156 1.00 12.14 C ATOM 99 OH TYR A 7 -10.593 4.520 9.945 1.00 4.45 O ATOM 0 H TYR A 7 -13.668 1.391 16.810 1.00 71.02 H new ATOM 0 HA TYR A 7 -13.302 0.670 14.142 1.00 1.41 H new ATOM 0 HB2 TYR A 7 -13.593 2.989 15.091 1.00 13.45 H new ATOM 0 HB3 TYR A 7 -11.965 2.913 15.734 1.00 13.45 H new ATOM 0 HD1 TYR A 7 -13.870 2.785 12.509 1.00 60.21 H new ATOM 0 HD2 TYR A 7 -10.089 3.574 14.340 1.00 61.42 H new ATOM 0 HE1 TYR A 7 -13.005 3.613 10.371 1.00 63.25 H new ATOM 0 HE2 TYR A 7 -9.238 4.419 12.197 1.00 3.43 H new ATOM 0 HH TYR A 7 -9.662 4.808 10.049 1.00 4.45 H new ATOM 109 N ILE A 8 -10.511 0.466 15.922 1.00 44.21 N ATOM 110 CA ILE A 8 -9.138 -0.080 15.994 1.00 65.44 C ATOM 111 C ILE A 8 -9.118 -1.617 15.736 1.00 53.12 C ATOM 112 O ILE A 8 -8.237 -2.135 15.032 1.00 54.03 O ATOM 113 CB ILE A 8 -8.492 0.247 17.400 1.00 23.20 C ATOM 114 CG1 ILE A 8 -8.552 1.788 17.700 1.00 52.53 C ATOM 115 CG2 ILE A 8 -7.040 -0.286 17.505 1.00 64.32 C ATOM 116 CD1 ILE A 8 -7.838 2.673 16.683 1.00 35.13 C ATOM 0 H ILE A 8 -10.813 0.913 16.787 1.00 44.21 H new ATOM 0 HA ILE A 8 -8.549 0.397 15.210 1.00 65.44 H new ATOM 0 HB ILE A 8 -9.081 -0.270 18.158 1.00 23.20 H new ATOM 0 HG12 ILE A 8 -9.597 2.092 17.752 1.00 52.53 H new ATOM 0 HG13 ILE A 8 -8.118 1.968 18.684 1.00 52.53 H new ATOM 0 HG21 ILE A 8 -6.632 -0.041 18.486 1.00 64.32 H new ATOM 0 HG22 ILE A 8 -7.039 -1.368 17.372 1.00 64.32 H new ATOM 0 HG23 ILE A 8 -6.426 0.175 16.731 1.00 64.32 H new ATOM 0 HD11 ILE A 8 -7.936 3.718 16.978 1.00 35.13 H new ATOM 0 HD12 ILE A 8 -6.782 2.404 16.645 1.00 35.13 H new ATOM 0 HD13 ILE A 8 -8.285 2.530 15.699 1.00 35.13 H new ATOM 128 N LYS A 9 -10.138 -2.310 16.273 1.00 13.52 N ATOM 129 CA LYS A 9 -10.277 -3.778 16.168 1.00 63.31 C ATOM 130 C LYS A 9 -10.549 -4.233 14.706 1.00 5.33 C ATOM 131 O LYS A 9 -9.883 -5.143 14.202 1.00 24.23 O ATOM 132 CB LYS A 9 -11.414 -4.271 17.101 1.00 13.34 C ATOM 133 CG LYS A 9 -11.271 -3.834 18.580 1.00 32.04 C ATOM 134 CD LYS A 9 -12.358 -4.449 19.497 1.00 54.41 C ATOM 135 CE LYS A 9 -12.297 -5.993 19.541 1.00 73.01 C ATOM 136 NZ LYS A 9 -10.983 -6.501 20.036 1.00 13.34 N ATOM 0 H LYS A 9 -10.894 -1.867 16.795 1.00 13.52 H new ATOM 0 HA LYS A 9 -9.332 -4.223 16.479 1.00 63.31 H new ATOM 0 HB2 LYS A 9 -12.366 -3.903 16.718 1.00 13.34 H new ATOM 0 HB3 LYS A 9 -11.453 -5.360 17.060 1.00 13.34 H new ATOM 0 HG2 LYS A 9 -10.286 -4.125 18.946 1.00 32.04 H new ATOM 0 HG3 LYS A 9 -11.325 -2.747 18.639 1.00 32.04 H new ATOM 0 HD2 LYS A 9 -12.241 -4.056 20.507 1.00 54.41 H new ATOM 0 HD3 LYS A 9 -13.342 -4.138 19.146 1.00 54.41 H new ATOM 0 HE2 LYS A 9 -13.093 -6.366 20.185 1.00 73.01 H new ATOM 0 HE3 LYS A 9 -12.483 -6.389 18.543 1.00 73.01 H new ATOM 0 HZ1 LYS A 9 -11.028 -7.535 20.143 1.00 13.34 H new ATOM 0 HZ2 LYS A 9 -10.237 -6.256 19.354 1.00 13.34 H new ATOM 0 HZ3 LYS A 9 -10.767 -6.067 20.956 1.00 13.34 H new ATOM 150 N LYS A 10 -11.522 -3.571 14.033 1.00 71.40 N ATOM 151 CA LYS A 10 -11.895 -3.888 12.622 1.00 60.04 C ATOM 152 C LYS A 10 -10.707 -3.638 11.660 1.00 54.21 C ATOM 153 O LYS A 10 -10.303 -4.534 10.905 1.00 32.32 O ATOM 154 CB LYS A 10 -13.139 -3.052 12.159 1.00 44.02 C ATOM 155 CG LYS A 10 -14.527 -3.611 12.573 1.00 42.11 C ATOM 156 CD LYS A 10 -14.775 -3.632 14.098 1.00 33.53 C ATOM 157 CE LYS A 10 -16.190 -4.119 14.447 1.00 34.30 C ATOM 158 NZ LYS A 10 -16.425 -4.185 15.911 1.00 52.24 N ATOM 0 H LYS A 10 -12.067 -2.812 14.441 1.00 71.40 H new ATOM 0 HA LYS A 10 -12.156 -4.946 12.589 1.00 60.04 H new ATOM 0 HB2 LYS A 10 -13.042 -2.042 12.558 1.00 44.02 H new ATOM 0 HB3 LYS A 10 -13.112 -2.969 11.072 1.00 44.02 H new ATOM 0 HG2 LYS A 10 -15.304 -3.011 12.099 1.00 42.11 H new ATOM 0 HG3 LYS A 10 -14.627 -4.625 12.186 1.00 42.11 H new ATOM 0 HD2 LYS A 10 -14.041 -4.281 14.575 1.00 33.53 H new ATOM 0 HD3 LYS A 10 -14.627 -2.631 14.503 1.00 33.53 H new ATOM 0 HE2 LYS A 10 -16.922 -3.450 13.995 1.00 34.30 H new ATOM 0 HE3 LYS A 10 -16.348 -5.106 14.012 1.00 34.30 H new ATOM 0 HZ1 LYS A 10 -16.708 -5.151 16.174 1.00 52.24 H new ATOM 0 HZ2 LYS A 10 -15.551 -3.931 16.415 1.00 52.24 H new ATOM 0 HZ3 LYS A 10 -17.181 -3.520 16.172 1.00 52.24 H new ATOM 172 N VAL A 11 -10.131 -2.428 11.761 1.00 51.21 N ATOM 173 CA VAL A 11 -9.053 -1.934 10.869 1.00 60.24 C ATOM 174 C VAL A 11 -7.783 -2.838 10.877 1.00 51.54 C ATOM 175 O VAL A 11 -7.030 -2.865 9.896 1.00 31.22 O ATOM 176 CB VAL A 11 -8.716 -0.434 11.240 1.00 52.11 C ATOM 177 CG1 VAL A 11 -7.454 0.096 10.530 1.00 62.02 C ATOM 178 CG2 VAL A 11 -9.930 0.483 10.932 1.00 44.21 C ATOM 0 H VAL A 11 -10.401 -1.750 12.474 1.00 51.21 H new ATOM 0 HA VAL A 11 -9.420 -1.977 9.844 1.00 60.24 H new ATOM 0 HB VAL A 11 -8.505 -0.417 12.309 1.00 52.11 H new ATOM 0 HG11 VAL A 11 -7.277 1.130 10.826 1.00 62.02 H new ATOM 0 HG12 VAL A 11 -6.595 -0.514 10.811 1.00 62.02 H new ATOM 0 HG13 VAL A 11 -7.596 0.047 9.450 1.00 62.02 H new ATOM 0 HG21 VAL A 11 -9.684 1.512 11.192 1.00 44.21 H new ATOM 0 HG22 VAL A 11 -10.170 0.425 9.870 1.00 44.21 H new ATOM 0 HG23 VAL A 11 -10.790 0.157 11.517 1.00 44.21 H new ATOM 188 N THR A 12 -7.588 -3.612 11.965 1.00 12.33 N ATOM 189 CA THR A 12 -6.479 -4.596 12.060 1.00 73.22 C ATOM 190 C THR A 12 -6.557 -5.663 10.926 1.00 22.25 C ATOM 191 O THR A 12 -5.564 -5.917 10.241 1.00 14.34 O ATOM 192 CB THR A 12 -6.458 -5.306 13.460 1.00 0.30 C ATOM 193 OG1 THR A 12 -6.308 -4.326 14.506 1.00 54.15 O ATOM 194 CG2 THR A 12 -5.322 -6.348 13.584 1.00 22.11 C ATOM 0 H THR A 12 -8.183 -3.578 12.793 1.00 12.33 H new ATOM 0 HA THR A 12 -5.552 -4.035 11.941 1.00 73.22 H new ATOM 0 HB THR A 12 -7.407 -5.833 13.559 1.00 0.30 H new ATOM 0 HG1 THR A 12 -7.057 -3.695 14.473 1.00 54.15 H new ATOM 0 HG21 THR A 12 -5.356 -6.807 14.572 1.00 22.11 H new ATOM 0 HG22 THR A 12 -5.449 -7.117 12.822 1.00 22.11 H new ATOM 0 HG23 THR A 12 -4.360 -5.855 13.446 1.00 22.11 H new ATOM 202 N ASP A 13 -7.747 -6.272 10.730 1.00 11.43 N ATOM 203 CA ASP A 13 -7.971 -7.276 9.657 1.00 22.55 C ATOM 204 C ASP A 13 -8.144 -6.611 8.275 1.00 14.33 C ATOM 205 O ASP A 13 -7.665 -7.136 7.258 1.00 74.32 O ATOM 206 CB ASP A 13 -9.195 -8.149 9.986 1.00 52.54 C ATOM 207 CG ASP A 13 -9.044 -8.860 11.336 1.00 2.33 C ATOM 208 OD1 ASP A 13 -8.224 -9.799 11.434 1.00 71.13 O ATOM 209 OD2 ASP A 13 -9.732 -8.476 12.306 1.00 2.34 O ATOM 0 H ASP A 13 -8.572 -6.088 11.301 1.00 11.43 H new ATOM 0 HA ASP A 13 -7.084 -7.908 9.610 1.00 22.55 H new ATOM 0 HB2 ASP A 13 -10.090 -7.528 10.001 1.00 52.54 H new ATOM 0 HB3 ASP A 13 -9.334 -8.890 9.199 1.00 52.54 H new ATOM 214 N GLU A 14 -8.824 -5.445 8.262 1.00 51.32 N ATOM 215 CA GLU A 14 -9.040 -4.635 7.032 1.00 40.13 C ATOM 216 C GLU A 14 -7.704 -4.195 6.394 1.00 23.12 C ATOM 217 O GLU A 14 -7.645 -3.921 5.198 1.00 42.33 O ATOM 218 CB GLU A 14 -9.927 -3.398 7.333 1.00 14.42 C ATOM 219 CG GLU A 14 -11.315 -3.729 7.916 1.00 52.54 C ATOM 220 CD GLU A 14 -12.194 -4.601 6.992 1.00 52.41 C ATOM 221 OE1 GLU A 14 -12.861 -4.038 6.099 1.00 25.04 O ATOM 222 OE2 GLU A 14 -12.226 -5.849 7.161 1.00 42.23 O ATOM 0 H GLU A 14 -9.240 -5.035 9.098 1.00 51.32 H new ATOM 0 HA GLU A 14 -9.558 -5.271 6.314 1.00 40.13 H new ATOM 0 HB2 GLU A 14 -9.399 -2.750 8.033 1.00 14.42 H new ATOM 0 HB3 GLU A 14 -10.060 -2.830 6.412 1.00 14.42 H new ATOM 0 HG2 GLU A 14 -11.184 -4.244 8.868 1.00 52.54 H new ATOM 0 HG3 GLU A 14 -11.840 -2.798 8.127 1.00 52.54 H new ATOM 229 N LEU A 15 -6.651 -4.117 7.229 1.00 55.21 N ATOM 230 CA LEU A 15 -5.259 -3.890 6.788 1.00 54.14 C ATOM 231 C LEU A 15 -4.805 -4.970 5.760 1.00 3.21 C ATOM 232 O LEU A 15 -4.350 -4.626 4.673 1.00 51.25 O ATOM 233 CB LEU A 15 -4.337 -3.835 8.050 1.00 24.42 C ATOM 234 CG LEU A 15 -2.785 -3.621 7.829 1.00 45.21 C ATOM 235 CD1 LEU A 15 -2.161 -2.744 8.944 1.00 31.24 C ATOM 236 CD2 LEU A 15 -2.028 -4.968 7.752 1.00 54.25 C ATOM 0 H LEU A 15 -6.742 -4.211 8.241 1.00 55.21 H new ATOM 0 HA LEU A 15 -5.187 -2.937 6.264 1.00 54.14 H new ATOM 0 HB2 LEU A 15 -4.697 -3.030 8.691 1.00 24.42 H new ATOM 0 HB3 LEU A 15 -4.470 -4.766 8.601 1.00 24.42 H new ATOM 0 HG LEU A 15 -2.680 -3.103 6.876 1.00 45.21 H new ATOM 0 HD11 LEU A 15 -1.094 -2.621 8.756 1.00 31.24 H new ATOM 0 HD12 LEU A 15 -2.644 -1.767 8.951 1.00 31.24 H new ATOM 0 HD13 LEU A 15 -2.306 -3.227 9.910 1.00 31.24 H new ATOM 0 HD21 LEU A 15 -0.965 -4.780 7.600 1.00 54.25 H new ATOM 0 HD22 LEU A 15 -2.169 -5.519 8.682 1.00 54.25 H new ATOM 0 HD23 LEU A 15 -2.415 -5.556 6.920 1.00 54.25 H new ATOM 248 N LYS A 16 -4.973 -6.272 6.096 1.00 44.14 N ATOM 249 CA LYS A 16 -4.617 -7.391 5.170 1.00 70.53 C ATOM 250 C LYS A 16 -5.564 -7.458 3.949 1.00 44.12 C ATOM 251 O LYS A 16 -5.131 -7.818 2.851 1.00 71.43 O ATOM 252 CB LYS A 16 -4.613 -8.780 5.879 1.00 72.23 C ATOM 253 CG LYS A 16 -3.419 -9.060 6.824 1.00 55.33 C ATOM 254 CD LYS A 16 -3.501 -8.320 8.172 1.00 53.21 C ATOM 255 CE LYS A 16 -4.688 -8.781 9.033 1.00 13.41 C ATOM 256 NZ LYS A 16 -4.633 -10.231 9.357 1.00 64.30 N ATOM 0 H LYS A 16 -5.349 -6.579 6.993 1.00 44.14 H new ATOM 0 HA LYS A 16 -3.605 -7.169 4.831 1.00 70.53 H new ATOM 0 HB2 LYS A 16 -5.534 -8.874 6.454 1.00 72.23 H new ATOM 0 HB3 LYS A 16 -4.634 -9.556 5.114 1.00 72.23 H new ATOM 0 HG2 LYS A 16 -3.362 -10.132 7.012 1.00 55.33 H new ATOM 0 HG3 LYS A 16 -2.495 -8.775 6.320 1.00 55.33 H new ATOM 0 HD2 LYS A 16 -2.575 -8.477 8.724 1.00 53.21 H new ATOM 0 HD3 LYS A 16 -3.585 -7.249 7.989 1.00 53.21 H new ATOM 0 HE2 LYS A 16 -4.705 -8.206 9.959 1.00 13.41 H new ATOM 0 HE3 LYS A 16 -5.618 -8.565 8.507 1.00 13.41 H new ATOM 0 HZ1 LYS A 16 -5.355 -10.455 10.072 1.00 64.30 H new ATOM 0 HZ2 LYS A 16 -4.814 -10.786 8.496 1.00 64.30 H new ATOM 0 HZ3 LYS A 16 -3.691 -10.468 9.730 1.00 64.30 H new ATOM 270 N GLU A 17 -6.854 -7.143 4.165 1.00 21.53 N ATOM 271 CA GLU A 17 -7.857 -7.030 3.076 1.00 5.04 C ATOM 272 C GLU A 17 -7.409 -6.008 2.015 1.00 62.43 C ATOM 273 O GLU A 17 -7.476 -6.254 0.808 1.00 34.14 O ATOM 274 CB GLU A 17 -9.224 -6.623 3.671 1.00 22.10 C ATOM 275 CG GLU A 17 -10.388 -6.605 2.661 1.00 34.45 C ATOM 276 CD GLU A 17 -10.610 -7.953 1.946 1.00 54.12 C ATOM 277 OE1 GLU A 17 -10.995 -8.937 2.620 1.00 4.00 O ATOM 278 OE2 GLU A 17 -10.397 -8.039 0.711 1.00 40.10 O ATOM 0 H GLU A 17 -7.235 -6.959 5.093 1.00 21.53 H new ATOM 0 HA GLU A 17 -7.950 -8.000 2.587 1.00 5.04 H new ATOM 0 HB2 GLU A 17 -9.473 -7.312 4.479 1.00 22.10 H new ATOM 0 HB3 GLU A 17 -9.131 -5.632 4.115 1.00 22.10 H new ATOM 0 HG2 GLU A 17 -11.304 -6.325 3.181 1.00 34.45 H new ATOM 0 HG3 GLU A 17 -10.197 -5.835 1.914 1.00 34.45 H new ATOM 285 N LEU A 18 -6.876 -4.900 2.510 1.00 32.23 N ATOM 286 CA LEU A 18 -6.455 -3.766 1.688 1.00 11.32 C ATOM 287 C LEU A 18 -5.158 -4.095 0.909 1.00 12.14 C ATOM 288 O LEU A 18 -5.055 -3.812 -0.291 1.00 23.14 O ATOM 289 CB LEU A 18 -6.287 -2.521 2.609 1.00 2.21 C ATOM 290 CG LEU A 18 -6.607 -1.139 1.966 1.00 24.21 C ATOM 291 CD1 LEU A 18 -7.938 -1.196 1.194 1.00 52.21 C ATOM 292 CD2 LEU A 18 -6.638 -0.032 3.041 1.00 32.24 C ATOM 0 H LEU A 18 -6.720 -4.758 3.508 1.00 32.23 H new ATOM 0 HA LEU A 18 -7.215 -3.548 0.937 1.00 11.32 H new ATOM 0 HB2 LEU A 18 -6.930 -2.650 3.480 1.00 2.21 H new ATOM 0 HB3 LEU A 18 -5.259 -2.500 2.972 1.00 2.21 H new ATOM 0 HG LEU A 18 -5.815 -0.898 1.257 1.00 24.21 H new ATOM 0 HD11 LEU A 18 -8.144 -0.221 0.752 1.00 52.21 H new ATOM 0 HD12 LEU A 18 -7.869 -1.945 0.405 1.00 52.21 H new ATOM 0 HD13 LEU A 18 -8.744 -1.462 1.878 1.00 52.21 H new ATOM 0 HD21 LEU A 18 -6.863 0.925 2.571 1.00 32.24 H new ATOM 0 HD22 LEU A 18 -7.406 -0.263 3.779 1.00 32.24 H new ATOM 0 HD23 LEU A 18 -5.667 0.025 3.533 1.00 32.24 H new ATOM 304 N ILE A 19 -4.182 -4.704 1.618 1.00 31.24 N ATOM 305 CA ILE A 19 -2.919 -5.205 1.017 1.00 62.24 C ATOM 306 C ILE A 19 -3.214 -6.229 -0.105 1.00 21.41 C ATOM 307 O ILE A 19 -2.603 -6.173 -1.159 1.00 43.25 O ATOM 308 CB ILE A 19 -1.981 -5.864 2.110 1.00 44.21 C ATOM 309 CG1 ILE A 19 -1.573 -4.827 3.206 1.00 63.31 C ATOM 310 CG2 ILE A 19 -0.716 -6.507 1.488 1.00 11.35 C ATOM 311 CD1 ILE A 19 -0.765 -5.416 4.359 1.00 24.10 C ATOM 0 H ILE A 19 -4.245 -4.864 2.623 1.00 31.24 H new ATOM 0 HA ILE A 19 -2.400 -4.347 0.589 1.00 62.24 H new ATOM 0 HB ILE A 19 -2.562 -6.659 2.577 1.00 44.21 H new ATOM 0 HG12 ILE A 19 -0.991 -4.032 2.739 1.00 63.31 H new ATOM 0 HG13 ILE A 19 -2.476 -4.367 3.608 1.00 63.31 H new ATOM 0 HG21 ILE A 19 -0.105 -6.945 2.277 1.00 11.35 H new ATOM 0 HG22 ILE A 19 -1.012 -7.285 0.784 1.00 11.35 H new ATOM 0 HG23 ILE A 19 -0.140 -5.744 0.965 1.00 11.35 H new ATOM 0 HD11 ILE A 19 -0.524 -4.629 5.074 1.00 24.10 H new ATOM 0 HD12 ILE A 19 -1.350 -6.190 4.855 1.00 24.10 H new ATOM 0 HD13 ILE A 19 0.157 -5.850 3.973 1.00 24.10 H new ATOM 323 N GLN A 20 -4.188 -7.125 0.137 1.00 42.02 N ATOM 324 CA GLN A 20 -4.627 -8.154 -0.840 1.00 60.34 C ATOM 325 C GLN A 20 -5.129 -7.514 -2.160 1.00 14.11 C ATOM 326 O GLN A 20 -4.694 -7.899 -3.251 1.00 2.23 O ATOM 327 CB GLN A 20 -5.744 -9.032 -0.209 1.00 44.22 C ATOM 328 CG GLN A 20 -6.317 -10.125 -1.135 1.00 43.31 C ATOM 329 CD GLN A 20 -7.393 -10.980 -0.463 1.00 21.31 C ATOM 330 OE1 GLN A 20 -8.571 -10.655 -0.490 1.00 31.23 O ATOM 331 NE2 GLN A 20 -6.998 -12.087 0.134 1.00 35.22 N ATOM 0 H GLN A 20 -4.699 -7.161 1.019 1.00 42.02 H new ATOM 0 HA GLN A 20 -3.767 -8.777 -1.085 1.00 60.34 H new ATOM 0 HB2 GLN A 20 -5.348 -9.508 0.688 1.00 44.22 H new ATOM 0 HB3 GLN A 20 -6.560 -8.382 0.109 1.00 44.22 H new ATOM 0 HG2 GLN A 20 -6.738 -9.655 -2.024 1.00 43.31 H new ATOM 0 HG3 GLN A 20 -5.505 -10.771 -1.470 1.00 43.31 H new ATOM 0 HE21 GLN A 20 -6.009 -12.337 0.143 1.00 35.22 H new ATOM 0 HE22 GLN A 20 -7.681 -12.694 0.587 1.00 35.22 H new ATOM 340 N ASN A 21 -6.016 -6.501 -2.032 1.00 64.21 N ATOM 341 CA ASN A 21 -6.591 -5.770 -3.197 1.00 41.33 C ATOM 342 C ASN A 21 -5.493 -5.041 -4.022 1.00 11.41 C ATOM 343 O ASN A 21 -5.640 -4.841 -5.232 1.00 43.42 O ATOM 344 CB ASN A 21 -7.670 -4.754 -2.730 1.00 64.42 C ATOM 345 CG ASN A 21 -8.969 -5.390 -2.203 1.00 13.24 C ATOM 346 OD1 ASN A 21 -10.052 -4.843 -2.392 1.00 52.15 O ATOM 347 ND2 ASN A 21 -8.889 -6.519 -1.521 1.00 24.21 N ATOM 0 H ASN A 21 -6.354 -6.166 -1.130 1.00 64.21 H new ATOM 0 HA ASN A 21 -7.058 -6.512 -3.844 1.00 41.33 H new ATOM 0 HB2 ASN A 21 -7.244 -4.128 -1.946 1.00 64.42 H new ATOM 0 HB3 ASN A 21 -7.916 -4.097 -3.564 1.00 64.42 H new ATOM 0 HD21 ASN A 21 -9.734 -6.948 -1.143 1.00 24.21 H new ATOM 0 HD22 ASN A 21 -7.982 -6.962 -1.372 1.00 24.21 H new ATOM 354 N VAL A 22 -4.405 -4.641 -3.339 1.00 53.24 N ATOM 355 CA VAL A 22 -3.210 -4.055 -3.982 1.00 33.01 C ATOM 356 C VAL A 22 -2.318 -5.151 -4.628 1.00 60.52 C ATOM 357 O VAL A 22 -1.865 -4.979 -5.750 1.00 4.00 O ATOM 358 CB VAL A 22 -2.374 -3.208 -2.946 1.00 73.44 C ATOM 359 CG1 VAL A 22 -1.047 -2.696 -3.548 1.00 21.41 C ATOM 360 CG2 VAL A 22 -3.202 -2.025 -2.407 1.00 22.21 C ATOM 0 H VAL A 22 -4.327 -4.714 -2.325 1.00 53.24 H new ATOM 0 HA VAL A 22 -3.557 -3.392 -4.775 1.00 33.01 H new ATOM 0 HB VAL A 22 -2.127 -3.875 -2.120 1.00 73.44 H new ATOM 0 HG11 VAL A 22 -0.506 -2.119 -2.798 1.00 21.41 H new ATOM 0 HG12 VAL A 22 -0.438 -3.544 -3.861 1.00 21.41 H new ATOM 0 HG13 VAL A 22 -1.259 -2.063 -4.410 1.00 21.41 H new ATOM 0 HG21 VAL A 22 -2.604 -1.457 -1.695 1.00 22.21 H new ATOM 0 HG22 VAL A 22 -3.493 -1.378 -3.234 1.00 22.21 H new ATOM 0 HG23 VAL A 22 -4.096 -2.403 -1.910 1.00 22.21 H new ATOM 370 N ASN A 23 -2.107 -6.285 -3.920 1.00 63.10 N ATOM 371 CA ASN A 23 -1.161 -7.357 -4.347 1.00 50.40 C ATOM 372 C ASN A 23 -1.575 -7.985 -5.689 1.00 14.41 C ATOM 373 O ASN A 23 -0.778 -8.020 -6.627 1.00 30.34 O ATOM 374 CB ASN A 23 -1.038 -8.478 -3.276 1.00 61.50 C ATOM 375 CG ASN A 23 -0.334 -8.038 -1.994 1.00 33.40 C ATOM 376 OD1 ASN A 23 0.432 -7.080 -1.977 1.00 53.12 O ATOM 377 ND2 ASN A 23 -0.535 -8.776 -0.924 1.00 74.24 N ATOM 0 H ASN A 23 -2.582 -6.488 -3.040 1.00 63.10 H new ATOM 0 HA ASN A 23 -0.191 -6.874 -4.468 1.00 50.40 H new ATOM 0 HB2 ASN A 23 -2.036 -8.838 -3.025 1.00 61.50 H new ATOM 0 HB3 ASN A 23 -0.495 -9.319 -3.706 1.00 61.50 H new ATOM 0 HD21 ASN A 23 -0.049 -8.557 -0.055 1.00 74.24 H new ATOM 0 HD22 ASN A 23 -1.177 -9.568 -0.964 1.00 74.24 H new ATOM 384 N ASP A 24 -2.835 -8.460 -5.768 1.00 2.41 N ATOM 385 CA ASP A 24 -3.405 -9.049 -7.010 1.00 61.15 C ATOM 386 C ASP A 24 -3.366 -8.062 -8.195 1.00 33.34 C ATOM 387 O ASP A 24 -3.212 -8.464 -9.357 1.00 13.21 O ATOM 388 CB ASP A 24 -4.849 -9.532 -6.763 1.00 71.24 C ATOM 389 CG ASP A 24 -4.909 -10.722 -5.793 1.00 31.35 C ATOM 390 OD1 ASP A 24 -4.667 -11.866 -6.237 1.00 15.22 O ATOM 391 OD2 ASP A 24 -5.160 -10.520 -4.586 1.00 73.31 O ATOM 0 H ASP A 24 -3.486 -8.449 -4.983 1.00 2.41 H new ATOM 0 HA ASP A 24 -2.782 -9.902 -7.278 1.00 61.15 H new ATOM 0 HB2 ASP A 24 -5.441 -8.709 -6.362 1.00 71.24 H new ATOM 0 HB3 ASP A 24 -5.302 -9.817 -7.713 1.00 71.24 H new ATOM 396 N ASP A 25 -3.491 -6.775 -7.874 1.00 12.33 N ATOM 397 CA ASP A 25 -3.481 -5.689 -8.862 1.00 62.12 C ATOM 398 C ASP A 25 -2.039 -5.448 -9.403 1.00 51.11 C ATOM 399 O ASP A 25 -1.843 -5.281 -10.610 1.00 22.41 O ATOM 400 CB ASP A 25 -4.080 -4.407 -8.207 1.00 62.13 C ATOM 401 CG ASP A 25 -4.871 -3.546 -9.186 1.00 54.35 C ATOM 402 OD1 ASP A 25 -5.737 -4.109 -9.897 1.00 52.24 O ATOM 403 OD2 ASP A 25 -4.691 -2.311 -9.222 1.00 35.43 O ATOM 0 H ASP A 25 -3.603 -6.451 -6.914 1.00 12.33 H new ATOM 0 HA ASP A 25 -4.095 -5.962 -9.720 1.00 62.12 H new ATOM 0 HB2 ASP A 25 -4.730 -4.698 -7.382 1.00 62.13 H new ATOM 0 HB3 ASP A 25 -3.272 -3.813 -7.781 1.00 62.13 H new ATOM 408 N ILE A 26 -1.039 -5.481 -8.486 1.00 11.35 N ATOM 409 CA ILE A 26 0.406 -5.371 -8.830 1.00 62.14 C ATOM 410 C ILE A 26 0.844 -6.536 -9.754 1.00 24.43 C ATOM 411 O ILE A 26 1.602 -6.316 -10.701 1.00 31.14 O ATOM 412 CB ILE A 26 1.328 -5.348 -7.541 1.00 2.31 C ATOM 413 CG1 ILE A 26 1.055 -4.084 -6.660 1.00 22.30 C ATOM 414 CG2 ILE A 26 2.835 -5.439 -7.904 1.00 2.35 C ATOM 415 CD1 ILE A 26 1.840 -4.036 -5.349 1.00 62.02 C ATOM 0 H ILE A 26 -1.210 -5.585 -7.486 1.00 11.35 H new ATOM 0 HA ILE A 26 0.530 -4.423 -9.354 1.00 62.14 H new ATOM 0 HB ILE A 26 1.070 -6.232 -6.958 1.00 2.31 H new ATOM 0 HG12 ILE A 26 1.293 -3.194 -7.243 1.00 22.30 H new ATOM 0 HG13 ILE A 26 -0.010 -4.040 -6.432 1.00 22.30 H new ATOM 0 HG21 ILE A 26 3.431 -5.420 -6.991 1.00 2.35 H new ATOM 0 HG22 ILE A 26 3.024 -6.368 -8.442 1.00 2.35 H new ATOM 0 HG23 ILE A 26 3.109 -4.593 -8.534 1.00 2.35 H new ATOM 0 HD11 ILE A 26 1.586 -3.126 -4.806 1.00 62.02 H new ATOM 0 HD12 ILE A 26 1.586 -4.904 -4.741 1.00 62.02 H new ATOM 0 HD13 ILE A 26 2.909 -4.044 -5.564 1.00 62.02 H new ATOM 427 N LYS A 27 0.339 -7.764 -9.468 1.00 33.13 N ATOM 428 CA LYS A 27 0.618 -8.978 -10.290 1.00 51.23 C ATOM 429 C LYS A 27 0.331 -8.723 -11.786 1.00 34.42 C ATOM 430 O LYS A 27 1.107 -9.114 -12.667 1.00 34.33 O ATOM 431 CB LYS A 27 -0.230 -10.185 -9.804 1.00 25.04 C ATOM 432 CG LYS A 27 0.011 -10.589 -8.333 1.00 4.00 C ATOM 433 CD LYS A 27 -0.967 -11.688 -7.841 1.00 30.45 C ATOM 434 CE LYS A 27 -0.889 -11.915 -6.317 1.00 72.02 C ATOM 435 NZ LYS A 27 -1.927 -12.863 -5.841 1.00 63.50 N ATOM 0 H LYS A 27 -0.269 -7.943 -8.669 1.00 33.13 H new ATOM 0 HA LYS A 27 1.676 -9.210 -10.169 1.00 51.23 H new ATOM 0 HB2 LYS A 27 -1.286 -9.946 -9.933 1.00 25.04 H new ATOM 0 HB3 LYS A 27 -0.017 -11.043 -10.442 1.00 25.04 H new ATOM 0 HG2 LYS A 27 1.035 -10.945 -8.222 1.00 4.00 H new ATOM 0 HG3 LYS A 27 -0.091 -9.709 -7.698 1.00 4.00 H new ATOM 0 HD2 LYS A 27 -1.986 -11.410 -8.111 1.00 30.45 H new ATOM 0 HD3 LYS A 27 -0.745 -12.623 -8.355 1.00 30.45 H new ATOM 0 HE2 LYS A 27 0.098 -12.298 -6.058 1.00 72.02 H new ATOM 0 HE3 LYS A 27 -1.006 -10.961 -5.802 1.00 72.02 H new ATOM 0 HZ1 LYS A 27 -1.796 -13.039 -4.824 1.00 63.50 H new ATOM 0 HZ2 LYS A 27 -2.870 -12.456 -6.003 1.00 63.50 H new ATOM 0 HZ3 LYS A 27 -1.843 -13.760 -6.361 1.00 63.50 H new ATOM 449 N GLU A 28 -0.800 -8.051 -12.052 1.00 25.31 N ATOM 450 CA GLU A 28 -1.214 -7.693 -13.415 1.00 42.41 C ATOM 451 C GLU A 28 -0.465 -6.458 -13.981 1.00 22.43 C ATOM 452 O GLU A 28 -0.424 -6.294 -15.204 1.00 54.54 O ATOM 453 CB GLU A 28 -2.737 -7.520 -13.510 1.00 72.42 C ATOM 454 CG GLU A 28 -3.548 -8.780 -13.142 1.00 0.03 C ATOM 455 CD GLU A 28 -5.004 -8.718 -13.640 1.00 24.05 C ATOM 456 OE1 GLU A 28 -5.804 -7.939 -13.080 1.00 13.20 O ATOM 457 OE2 GLU A 28 -5.344 -9.432 -14.610 1.00 44.43 O ATOM 0 H GLU A 28 -1.451 -7.742 -11.330 1.00 25.31 H new ATOM 0 HA GLU A 28 -0.927 -8.533 -14.048 1.00 42.41 H new ATOM 0 HB2 GLU A 28 -3.039 -6.704 -12.853 1.00 72.42 H new ATOM 0 HB3 GLU A 28 -2.993 -7.222 -14.527 1.00 72.42 H new ATOM 0 HG2 GLU A 28 -3.060 -9.657 -13.567 1.00 0.03 H new ATOM 0 HG3 GLU A 28 -3.544 -8.906 -12.059 1.00 0.03 H new ATOM 464 N VAL A 29 0.070 -5.557 -13.116 1.00 33.21 N ATOM 465 CA VAL A 29 0.989 -4.483 -13.593 1.00 30.20 C ATOM 466 C VAL A 29 2.357 -5.073 -14.061 1.00 30.21 C ATOM 467 O VAL A 29 2.994 -4.546 -14.972 1.00 34.12 O ATOM 468 CB VAL A 29 1.275 -3.358 -12.534 1.00 53.42 C ATOM 469 CG1 VAL A 29 2.059 -2.203 -13.200 1.00 11.20 C ATOM 470 CG2 VAL A 29 -0.011 -2.820 -11.869 1.00 70.45 C ATOM 0 H VAL A 29 -0.110 -5.548 -12.112 1.00 33.21 H new ATOM 0 HA VAL A 29 0.458 -4.024 -14.427 1.00 30.20 H new ATOM 0 HB VAL A 29 1.873 -3.805 -11.740 1.00 53.42 H new ATOM 0 HG11 VAL A 29 2.256 -1.424 -12.463 1.00 11.20 H new ATOM 0 HG12 VAL A 29 3.004 -2.582 -13.589 1.00 11.20 H new ATOM 0 HG13 VAL A 29 1.470 -1.788 -14.018 1.00 11.20 H new ATOM 0 HG21 VAL A 29 0.249 -2.046 -11.147 1.00 70.45 H new ATOM 0 HG22 VAL A 29 -0.666 -2.400 -12.632 1.00 70.45 H new ATOM 0 HG23 VAL A 29 -0.525 -3.634 -11.358 1.00 70.45 H new ATOM 480 N GLU A 30 2.806 -6.162 -13.414 1.00 25.33 N ATOM 481 CA GLU A 30 3.995 -6.938 -13.873 1.00 5.11 C ATOM 482 C GLU A 30 3.764 -7.487 -15.298 1.00 21.52 C ATOM 483 O GLU A 30 4.689 -7.597 -16.108 1.00 72.11 O ATOM 484 CB GLU A 30 4.271 -8.117 -12.915 1.00 62.42 C ATOM 485 CG GLU A 30 4.481 -7.700 -11.441 1.00 24.12 C ATOM 486 CD GLU A 30 4.795 -8.882 -10.511 1.00 13.02 C ATOM 487 OE1 GLU A 30 5.874 -9.489 -10.670 1.00 24.41 O ATOM 488 OE2 GLU A 30 3.981 -9.208 -9.614 1.00 5.31 O ATOM 0 H GLU A 30 2.370 -6.533 -12.570 1.00 25.33 H new ATOM 0 HA GLU A 30 4.854 -6.267 -13.879 1.00 5.11 H new ATOM 0 HB2 GLU A 30 3.437 -8.816 -12.968 1.00 62.42 H new ATOM 0 HB3 GLU A 30 5.157 -8.651 -13.260 1.00 62.42 H new ATOM 0 HG2 GLU A 30 5.297 -6.979 -11.388 1.00 24.12 H new ATOM 0 HG3 GLU A 30 3.584 -7.194 -11.083 1.00 24.12 H new ATOM 495 N LYS A 31 2.500 -7.840 -15.556 1.00 21.00 N ATOM 496 CA LYS A 31 2.020 -8.306 -16.857 1.00 42.03 C ATOM 497 C LYS A 31 1.842 -7.119 -17.863 1.00 32.12 C ATOM 498 O LYS A 31 2.140 -7.250 -19.059 1.00 24.22 O ATOM 499 CB LYS A 31 0.679 -9.060 -16.621 1.00 52.13 C ATOM 500 CG LYS A 31 0.095 -9.761 -17.858 1.00 61.00 C ATOM 501 CD LYS A 31 -1.212 -10.545 -17.553 1.00 33.55 C ATOM 502 CE LYS A 31 -2.346 -9.661 -16.986 1.00 53.45 C ATOM 503 NZ LYS A 31 -3.570 -10.450 -16.691 1.00 22.24 N ATOM 0 H LYS A 31 1.767 -7.808 -14.848 1.00 21.00 H new ATOM 0 HA LYS A 31 2.752 -8.976 -17.308 1.00 42.03 H new ATOM 0 HB2 LYS A 31 0.832 -9.805 -15.840 1.00 52.13 H new ATOM 0 HB3 LYS A 31 -0.057 -8.350 -16.244 1.00 52.13 H new ATOM 0 HG2 LYS A 31 -0.106 -9.017 -18.629 1.00 61.00 H new ATOM 0 HG3 LYS A 31 0.838 -10.448 -18.264 1.00 61.00 H new ATOM 0 HD2 LYS A 31 -1.560 -11.025 -18.468 1.00 33.55 H new ATOM 0 HD3 LYS A 31 -0.991 -11.340 -16.840 1.00 33.55 H new ATOM 0 HE2 LYS A 31 -2.003 -9.170 -16.075 1.00 53.45 H new ATOM 0 HE3 LYS A 31 -2.585 -8.874 -17.702 1.00 53.45 H new ATOM 0 HZ1 LYS A 31 -4.100 -9.993 -15.922 1.00 22.24 H new ATOM 0 HZ2 LYS A 31 -4.166 -10.497 -17.542 1.00 22.24 H new ATOM 0 HZ3 LYS A 31 -3.301 -11.412 -16.402 1.00 22.24 H new ATOM 517 N ASN A 32 1.363 -5.957 -17.350 1.00 33.34 N ATOM 518 CA ASN A 32 1.064 -4.736 -18.161 1.00 43.13 C ATOM 519 C ASN A 32 1.580 -3.454 -17.434 1.00 44.11 C ATOM 520 O ASN A 32 0.824 -2.816 -16.680 1.00 45.33 O ATOM 521 CB ASN A 32 -0.460 -4.612 -18.420 1.00 4.22 C ATOM 522 CG ASN A 32 -1.071 -5.820 -19.115 1.00 74.33 C ATOM 523 OD1 ASN A 32 -1.094 -5.907 -20.335 1.00 1.53 O ATOM 524 ND2 ASN A 32 -1.578 -6.760 -18.340 1.00 63.12 N ATOM 0 H ASN A 32 1.170 -5.834 -16.356 1.00 33.34 H new ATOM 0 HA ASN A 32 1.578 -4.832 -19.117 1.00 43.13 H new ATOM 0 HB2 ASN A 32 -0.968 -4.458 -17.468 1.00 4.22 H new ATOM 0 HB3 ASN A 32 -0.644 -3.725 -19.027 1.00 4.22 H new ATOM 0 HD21 ASN A 32 -2.004 -7.588 -18.755 1.00 63.12 H new ATOM 0 HD22 ASN A 32 -1.543 -6.658 -17.326 1.00 63.12 H new ATOM 531 N PRO A 33 2.888 -3.062 -17.622 1.00 62.32 N ATOM 532 CA PRO A 33 3.539 -1.955 -16.850 1.00 14.23 C ATOM 533 C PRO A 33 3.158 -0.512 -17.303 1.00 71.14 C ATOM 534 O PRO A 33 3.942 0.413 -17.109 1.00 15.32 O ATOM 535 CB PRO A 33 5.073 -2.237 -17.055 1.00 62.30 C ATOM 536 CG PRO A 33 5.149 -3.554 -17.784 1.00 64.22 C ATOM 537 CD PRO A 33 3.859 -3.669 -18.559 1.00 73.53 C ATOM 0 HA PRO A 33 3.210 -1.963 -15.811 1.00 14.23 H new ATOM 0 HB2 PRO A 33 5.544 -1.442 -17.632 1.00 62.30 H new ATOM 0 HB3 PRO A 33 5.593 -2.288 -16.099 1.00 62.30 H new ATOM 0 HG2 PRO A 33 6.010 -3.582 -18.452 1.00 64.22 H new ATOM 0 HG3 PRO A 33 5.260 -4.382 -17.084 1.00 64.22 H new ATOM 0 HD2 PRO A 33 3.902 -3.133 -19.507 1.00 73.53 H new ATOM 0 HD3 PRO A 33 3.612 -4.705 -18.790 1.00 73.53 H new ATOM 545 N GLU A 34 1.957 -0.307 -17.886 1.00 42.44 N ATOM 546 CA GLU A 34 1.502 1.049 -18.320 1.00 63.43 C ATOM 547 C GLU A 34 0.071 1.391 -17.859 1.00 34.51 C ATOM 548 O GLU A 34 -0.274 2.578 -17.816 1.00 3.25 O ATOM 549 CB GLU A 34 1.603 1.199 -19.869 1.00 22.21 C ATOM 550 CG GLU A 34 3.044 1.227 -20.435 1.00 60.25 C ATOM 551 CD GLU A 34 3.828 2.547 -20.219 1.00 25.45 C ATOM 552 OE1 GLU A 34 3.380 3.450 -19.472 1.00 61.42 O ATOM 553 OE2 GLU A 34 4.910 2.686 -20.828 1.00 25.41 O ATOM 0 H GLU A 34 1.284 -1.051 -18.070 1.00 42.44 H new ATOM 0 HA GLU A 34 2.174 1.757 -17.835 1.00 63.43 H new ATOM 0 HB2 GLU A 34 1.063 0.374 -20.334 1.00 22.21 H new ATOM 0 HB3 GLU A 34 1.096 2.118 -20.163 1.00 22.21 H new ATOM 0 HG2 GLU A 34 3.608 0.413 -19.981 1.00 60.25 H new ATOM 0 HG3 GLU A 34 2.998 1.025 -21.505 1.00 60.25 H new ATOM 560 N ASP A 35 -0.761 0.369 -17.538 1.00 64.40 N ATOM 561 CA ASP A 35 -2.160 0.598 -17.097 1.00 3.11 C ATOM 562 C ASP A 35 -2.213 1.437 -15.797 1.00 13.21 C ATOM 563 O ASP A 35 -2.073 0.916 -14.685 1.00 40.34 O ATOM 564 CB ASP A 35 -2.935 -0.739 -16.941 1.00 22.33 C ATOM 565 CG ASP A 35 -3.328 -1.354 -18.292 1.00 11.24 C ATOM 566 OD1 ASP A 35 -4.120 -0.723 -19.030 1.00 30.14 O ATOM 567 OD2 ASP A 35 -2.861 -2.453 -18.628 1.00 13.42 O ATOM 0 H ASP A 35 -0.491 -0.614 -17.576 1.00 64.40 H new ATOM 0 HA ASP A 35 -2.657 1.173 -17.878 1.00 3.11 H new ATOM 0 HB2 ASP A 35 -2.320 -1.449 -16.388 1.00 22.33 H new ATOM 0 HB3 ASP A 35 -3.834 -0.567 -16.349 1.00 22.33 H new ATOM 572 N MET A 36 -2.384 2.759 -15.978 1.00 12.14 N ATOM 573 CA MET A 36 -2.402 3.731 -14.874 1.00 33.04 C ATOM 574 C MET A 36 -3.659 3.611 -13.998 1.00 74.24 C ATOM 575 O MET A 36 -3.613 3.990 -12.844 1.00 73.24 O ATOM 576 CB MET A 36 -2.229 5.171 -15.412 1.00 24.24 C ATOM 577 CG MET A 36 -0.796 5.453 -15.848 1.00 3.42 C ATOM 578 SD MET A 36 0.336 5.118 -14.482 1.00 13.32 S ATOM 579 CE MET A 36 1.609 4.150 -15.267 1.00 2.52 C ATOM 0 H MET A 36 -2.514 3.183 -16.897 1.00 12.14 H new ATOM 0 HA MET A 36 -1.555 3.497 -14.229 1.00 33.04 H new ATOM 0 HB2 MET A 36 -2.901 5.325 -16.256 1.00 24.24 H new ATOM 0 HB3 MET A 36 -2.519 5.883 -14.640 1.00 24.24 H new ATOM 0 HG2 MET A 36 -0.539 4.832 -16.706 1.00 3.42 H new ATOM 0 HG3 MET A 36 -0.700 6.491 -16.165 1.00 3.42 H new ATOM 0 HE1 MET A 36 2.484 4.105 -14.619 1.00 2.52 H new ATOM 0 HE2 MET A 36 1.239 3.141 -15.448 1.00 2.52 H new ATOM 0 HE3 MET A 36 1.884 4.611 -16.216 1.00 2.52 H new ATOM 589 N GLU A 37 -4.763 3.072 -14.555 1.00 10.44 N ATOM 590 CA GLU A 37 -6.001 2.766 -13.781 1.00 1.42 C ATOM 591 C GLU A 37 -5.701 1.842 -12.566 1.00 24.35 C ATOM 592 O GLU A 37 -6.208 2.066 -11.460 1.00 52.33 O ATOM 593 CB GLU A 37 -7.072 2.105 -14.686 1.00 24.13 C ATOM 594 CG GLU A 37 -8.379 1.703 -13.960 1.00 4.22 C ATOM 595 CD GLU A 37 -9.166 2.891 -13.364 1.00 60.22 C ATOM 596 OE1 GLU A 37 -9.743 3.684 -14.141 1.00 3.44 O ATOM 597 OE2 GLU A 37 -9.215 3.040 -12.120 1.00 12.23 O ATOM 0 H GLU A 37 -4.830 2.835 -15.545 1.00 10.44 H new ATOM 0 HA GLU A 37 -6.387 3.714 -13.407 1.00 1.42 H new ATOM 0 HB2 GLU A 37 -7.319 2.793 -15.494 1.00 24.13 H new ATOM 0 HB3 GLU A 37 -6.640 1.216 -15.145 1.00 24.13 H new ATOM 0 HG2 GLU A 37 -9.022 1.172 -14.662 1.00 4.22 H new ATOM 0 HG3 GLU A 37 -8.136 1.005 -13.159 1.00 4.22 H new ATOM 604 N TYR A 38 -4.863 0.816 -12.809 1.00 23.11 N ATOM 605 CA TYR A 38 -4.330 -0.079 -11.754 1.00 73.02 C ATOM 606 C TYR A 38 -3.595 0.732 -10.673 1.00 31.15 C ATOM 607 O TYR A 38 -3.906 0.635 -9.490 1.00 41.11 O ATOM 608 CB TYR A 38 -3.373 -1.138 -12.372 1.00 55.01 C ATOM 609 CG TYR A 38 -4.092 -2.300 -13.065 1.00 4.21 C ATOM 610 CD1 TYR A 38 -4.908 -2.094 -14.179 1.00 40.41 C ATOM 611 CD2 TYR A 38 -3.968 -3.601 -12.591 1.00 13.22 C ATOM 612 CE1 TYR A 38 -5.568 -3.146 -14.783 1.00 71.12 C ATOM 613 CE2 TYR A 38 -4.623 -4.648 -13.190 1.00 45.03 C ATOM 614 CZ TYR A 38 -5.423 -4.421 -14.283 1.00 63.22 C ATOM 615 OH TYR A 38 -6.075 -5.479 -14.882 1.00 71.15 O ATOM 0 H TYR A 38 -4.533 0.581 -13.745 1.00 23.11 H new ATOM 0 HA TYR A 38 -5.170 -0.594 -11.289 1.00 73.02 H new ATOM 0 HB2 TYR A 38 -2.721 -0.646 -13.094 1.00 55.01 H new ATOM 0 HB3 TYR A 38 -2.733 -1.538 -11.585 1.00 55.01 H new ATOM 0 HD1 TYR A 38 -5.025 -1.096 -14.575 1.00 40.41 H new ATOM 0 HD2 TYR A 38 -3.342 -3.792 -11.732 1.00 13.22 H new ATOM 0 HE1 TYR A 38 -6.195 -2.970 -15.644 1.00 71.12 H new ATOM 0 HE2 TYR A 38 -4.509 -5.650 -12.802 1.00 45.03 H new ATOM 0 HH TYR A 38 -5.994 -6.275 -14.317 1.00 71.15 H new ATOM 625 N TRP A 39 -2.666 1.582 -11.119 1.00 42.52 N ATOM 626 CA TRP A 39 -1.871 2.457 -10.239 1.00 30.42 C ATOM 627 C TRP A 39 -2.715 3.522 -9.491 1.00 44.03 C ATOM 628 O TRP A 39 -2.338 3.937 -8.401 1.00 72.34 O ATOM 629 CB TRP A 39 -0.723 3.114 -11.042 1.00 41.45 C ATOM 630 CG TRP A 39 0.433 2.175 -11.343 1.00 73.15 C ATOM 631 CD1 TRP A 39 1.028 1.961 -12.554 1.00 24.20 C ATOM 632 CD2 TRP A 39 1.128 1.319 -10.401 1.00 52.14 C ATOM 633 NE1 TRP A 39 2.052 1.062 -12.427 1.00 2.33 N ATOM 634 CE2 TRP A 39 2.128 0.646 -11.115 1.00 64.24 C ATOM 635 CE3 TRP A 39 1.009 1.061 -9.030 1.00 14.12 C ATOM 636 CZ2 TRP A 39 2.995 -0.265 -10.511 1.00 43.33 C ATOM 637 CZ3 TRP A 39 1.865 0.159 -8.436 1.00 64.44 C ATOM 638 CH2 TRP A 39 2.849 -0.497 -9.178 1.00 12.21 C ATOM 0 H TRP A 39 -2.439 1.687 -12.108 1.00 42.52 H new ATOM 0 HA TRP A 39 -1.451 1.821 -9.460 1.00 30.42 H new ATOM 0 HB2 TRP A 39 -1.122 3.496 -11.982 1.00 41.45 H new ATOM 0 HB3 TRP A 39 -0.346 3.971 -10.484 1.00 41.45 H new ATOM 0 HD1 TRP A 39 0.733 2.434 -13.479 1.00 24.20 H new ATOM 0 HE1 TRP A 39 2.662 0.750 -13.183 1.00 2.33 H new ATOM 0 HE3 TRP A 39 0.254 1.564 -8.444 1.00 14.12 H new ATOM 0 HZ2 TRP A 39 3.758 -0.771 -11.084 1.00 43.33 H new ATOM 0 HZ3 TRP A 39 1.773 -0.044 -7.379 1.00 64.44 H new ATOM 0 HH2 TRP A 39 3.505 -1.200 -8.686 1.00 12.21 H new ATOM 649 N ASN A 40 -3.837 3.953 -10.083 1.00 20.32 N ATOM 650 CA ASN A 40 -4.786 4.893 -9.438 1.00 75.01 C ATOM 651 C ASN A 40 -5.492 4.220 -8.252 1.00 61.33 C ATOM 652 O ASN A 40 -5.587 4.785 -7.161 1.00 12.30 O ATOM 653 CB ASN A 40 -5.851 5.365 -10.457 1.00 53.24 C ATOM 654 CG ASN A 40 -5.290 6.137 -11.640 1.00 45.14 C ATOM 655 OD1 ASN A 40 -5.863 6.125 -12.718 1.00 42.21 O ATOM 656 ND2 ASN A 40 -4.170 6.808 -11.468 1.00 52.35 N ATOM 0 H ASN A 40 -4.119 3.665 -11.020 1.00 20.32 H new ATOM 0 HA ASN A 40 -4.218 5.751 -9.079 1.00 75.01 H new ATOM 0 HB2 ASN A 40 -6.390 4.494 -10.830 1.00 53.24 H new ATOM 0 HB3 ASN A 40 -6.577 5.993 -9.941 1.00 53.24 H new ATOM 0 HD21 ASN A 40 -3.765 7.331 -12.244 1.00 52.35 H new ATOM 0 HD22 ASN A 40 -3.708 6.804 -10.559 1.00 52.35 H new ATOM 663 N LYS A 41 -5.984 3.009 -8.514 1.00 72.32 N ATOM 664 CA LYS A 41 -6.639 2.152 -7.502 1.00 74.11 C ATOM 665 C LYS A 41 -5.678 1.817 -6.334 1.00 71.54 C ATOM 666 O LYS A 41 -5.992 2.092 -5.178 1.00 65.21 O ATOM 667 CB LYS A 41 -7.196 0.869 -8.179 1.00 75.10 C ATOM 668 CG LYS A 41 -8.373 1.151 -9.151 1.00 10.42 C ATOM 669 CD LYS A 41 -9.187 -0.092 -9.601 1.00 32.02 C ATOM 670 CE LYS A 41 -8.394 -1.088 -10.471 1.00 53.44 C ATOM 671 NZ LYS A 41 -7.449 -1.902 -9.684 1.00 44.14 N ATOM 0 H LYS A 41 -5.943 2.583 -9.440 1.00 72.32 H new ATOM 0 HA LYS A 41 -7.475 2.701 -7.068 1.00 74.11 H new ATOM 0 HB2 LYS A 41 -6.392 0.376 -8.726 1.00 75.10 H new ATOM 0 HB3 LYS A 41 -7.529 0.174 -7.408 1.00 75.10 H new ATOM 0 HG2 LYS A 41 -9.054 1.855 -8.673 1.00 10.42 H new ATOM 0 HG3 LYS A 41 -7.977 1.644 -10.039 1.00 10.42 H new ATOM 0 HD2 LYS A 41 -9.553 -0.612 -8.716 1.00 32.02 H new ATOM 0 HD3 LYS A 41 -10.062 0.243 -10.158 1.00 32.02 H new ATOM 0 HE2 LYS A 41 -9.091 -1.747 -10.989 1.00 53.44 H new ATOM 0 HE3 LYS A 41 -7.845 -0.539 -11.236 1.00 53.44 H new ATOM 0 HZ1 LYS A 41 -7.444 -2.877 -10.047 1.00 44.14 H new ATOM 0 HZ2 LYS A 41 -6.494 -1.498 -9.763 1.00 44.14 H new ATOM 0 HZ3 LYS A 41 -7.742 -1.906 -8.686 1.00 44.14 H new ATOM 685 N ILE A 42 -4.490 1.293 -6.671 1.00 13.12 N ATOM 686 CA ILE A 42 -3.395 1.009 -5.705 1.00 20.32 C ATOM 687 C ILE A 42 -3.012 2.268 -4.875 1.00 71.42 C ATOM 688 O ILE A 42 -2.866 2.187 -3.656 1.00 0.31 O ATOM 689 CB ILE A 42 -2.137 0.430 -6.475 1.00 32.23 C ATOM 690 CG1 ILE A 42 -2.470 -0.992 -7.049 1.00 51.34 C ATOM 691 CG2 ILE A 42 -0.856 0.402 -5.593 1.00 50.32 C ATOM 692 CD1 ILE A 42 -1.440 -1.574 -8.019 1.00 32.35 C ATOM 0 H ILE A 42 -4.250 1.048 -7.632 1.00 13.12 H new ATOM 0 HA ILE A 42 -3.753 0.262 -4.997 1.00 20.32 H new ATOM 0 HB ILE A 42 -1.917 1.104 -7.303 1.00 32.23 H new ATOM 0 HG12 ILE A 42 -2.586 -1.683 -6.214 1.00 51.34 H new ATOM 0 HG13 ILE A 42 -3.433 -0.942 -7.557 1.00 51.34 H new ATOM 0 HG21 ILE A 42 -0.025 -0.004 -6.171 1.00 50.32 H new ATOM 0 HG22 ILE A 42 -0.614 1.415 -5.271 1.00 50.32 H new ATOM 0 HG23 ILE A 42 -1.030 -0.225 -4.718 1.00 50.32 H new ATOM 0 HD11 ILE A 42 -1.770 -2.558 -8.353 1.00 32.35 H new ATOM 0 HD12 ILE A 42 -1.337 -0.914 -8.880 1.00 32.35 H new ATOM 0 HD13 ILE A 42 -0.478 -1.666 -7.516 1.00 32.35 H new ATOM 704 N TYR A 43 -2.903 3.431 -5.548 1.00 60.12 N ATOM 705 CA TYR A 43 -2.591 4.730 -4.891 1.00 63.12 C ATOM 706 C TYR A 43 -3.672 5.116 -3.843 1.00 20.44 C ATOM 707 O TYR A 43 -3.342 5.570 -2.745 1.00 53.04 O ATOM 708 CB TYR A 43 -2.443 5.848 -5.961 1.00 54.13 C ATOM 709 CG TYR A 43 -2.120 7.248 -5.407 1.00 4.12 C ATOM 710 CD1 TYR A 43 -0.813 7.616 -5.072 1.00 2.42 C ATOM 711 CD2 TYR A 43 -3.128 8.200 -5.213 1.00 33.05 C ATOM 712 CE1 TYR A 43 -0.532 8.875 -4.566 1.00 52.34 C ATOM 713 CE2 TYR A 43 -2.847 9.451 -4.708 1.00 61.04 C ATOM 714 CZ TYR A 43 -1.551 9.786 -4.387 1.00 12.23 C ATOM 715 OH TYR A 43 -1.272 11.039 -3.874 1.00 3.41 O ATOM 0 H TYR A 43 -3.027 3.503 -6.558 1.00 60.12 H new ATOM 0 HA TYR A 43 -1.646 4.619 -4.360 1.00 63.12 H new ATOM 0 HB2 TYR A 43 -1.656 5.560 -6.658 1.00 54.13 H new ATOM 0 HB3 TYR A 43 -3.369 5.906 -6.533 1.00 54.13 H new ATOM 0 HD1 TYR A 43 -0.010 6.907 -5.210 1.00 2.42 H new ATOM 0 HD2 TYR A 43 -4.148 7.949 -5.465 1.00 33.05 H new ATOM 0 HE1 TYR A 43 0.483 9.142 -4.312 1.00 52.34 H new ATOM 0 HE2 TYR A 43 -3.642 10.167 -4.564 1.00 61.04 H new ATOM 0 HH TYR A 43 -2.100 11.559 -3.812 1.00 3.41 H new ATOM 725 N ARG A 44 -4.959 4.931 -4.205 1.00 22.32 N ATOM 726 CA ARG A 44 -6.109 5.254 -3.320 1.00 51.31 C ATOM 727 C ARG A 44 -6.229 4.276 -2.122 1.00 71.13 C ATOM 728 O ARG A 44 -6.669 4.667 -1.036 1.00 44.01 O ATOM 729 CB ARG A 44 -7.434 5.269 -4.127 1.00 22.34 C ATOM 730 CG ARG A 44 -7.524 6.385 -5.195 1.00 64.42 C ATOM 731 CD ARG A 44 -8.866 6.374 -5.954 1.00 51.31 C ATOM 732 NE ARG A 44 -9.082 5.110 -6.690 1.00 4.22 N ATOM 733 CZ ARG A 44 -10.080 4.264 -6.510 1.00 43.04 C ATOM 734 NH1 ARG A 44 -10.967 4.449 -5.585 1.00 63.23 N ATOM 735 NH2 ARG A 44 -10.163 3.219 -7.253 1.00 41.45 N ATOM 0 H ARG A 44 -5.234 4.556 -5.113 1.00 22.32 H new ATOM 0 HA ARG A 44 -5.922 6.248 -2.913 1.00 51.31 H new ATOM 0 HB2 ARG A 44 -7.556 4.304 -4.618 1.00 22.34 H new ATOM 0 HB3 ARG A 44 -8.266 5.381 -3.432 1.00 22.34 H new ATOM 0 HG2 ARG A 44 -7.391 7.354 -4.714 1.00 64.42 H new ATOM 0 HG3 ARG A 44 -6.707 6.268 -5.907 1.00 64.42 H new ATOM 0 HD2 ARG A 44 -9.682 6.525 -5.247 1.00 51.31 H new ATOM 0 HD3 ARG A 44 -8.892 7.209 -6.654 1.00 51.31 H new ATOM 0 HE ARG A 44 -8.395 4.869 -7.404 1.00 4.22 H new ATOM 0 HH11 ARG A 44 -10.905 5.264 -4.974 1.00 63.23 H new ATOM 0 HH12 ARG A 44 -11.728 3.780 -5.467 1.00 63.23 H new ATOM 0 HH21 ARG A 44 -9.462 3.049 -7.974 1.00 41.45 H new ATOM 0 HH22 ARG A 44 -10.930 2.560 -7.122 1.00 41.45 H new ATOM 749 N LEU A 45 -5.846 3.004 -2.332 1.00 72.21 N ATOM 750 CA LEU A 45 -5.859 1.978 -1.263 1.00 64.15 C ATOM 751 C LEU A 45 -4.721 2.223 -0.242 1.00 73.30 C ATOM 752 O LEU A 45 -4.939 2.128 0.964 1.00 2.44 O ATOM 753 CB LEU A 45 -5.755 0.559 -1.872 1.00 33.43 C ATOM 754 CG LEU A 45 -6.890 0.166 -2.872 1.00 63.14 C ATOM 755 CD1 LEU A 45 -6.644 -1.226 -3.487 1.00 60.00 C ATOM 756 CD2 LEU A 45 -8.287 0.261 -2.216 1.00 34.33 C ATOM 0 H LEU A 45 -5.522 2.657 -3.235 1.00 72.21 H new ATOM 0 HA LEU A 45 -6.807 2.055 -0.731 1.00 64.15 H new ATOM 0 HB2 LEU A 45 -4.798 0.473 -2.386 1.00 33.43 H new ATOM 0 HB3 LEU A 45 -5.746 -0.166 -1.058 1.00 33.43 H new ATOM 0 HG LEU A 45 -6.868 0.889 -3.687 1.00 63.14 H new ATOM 0 HD11 LEU A 45 -7.452 -1.467 -4.177 1.00 60.00 H new ATOM 0 HD12 LEU A 45 -5.696 -1.224 -4.025 1.00 60.00 H new ATOM 0 HD13 LEU A 45 -6.609 -1.973 -2.694 1.00 60.00 H new ATOM 0 HD21 LEU A 45 -9.050 -0.020 -2.942 1.00 34.33 H new ATOM 0 HD22 LEU A 45 -8.334 -0.414 -1.361 1.00 34.33 H new ATOM 0 HD23 LEU A 45 -8.463 1.283 -1.882 1.00 34.33 H new ATOM 768 N VAL A 46 -3.518 2.562 -0.748 1.00 74.02 N ATOM 769 CA VAL A 46 -2.345 2.915 0.098 1.00 14.55 C ATOM 770 C VAL A 46 -2.541 4.303 0.783 1.00 61.33 C ATOM 771 O VAL A 46 -2.008 4.553 1.868 1.00 42.04 O ATOM 772 CB VAL A 46 -1.002 2.860 -0.723 1.00 34.01 C ATOM 773 CG1 VAL A 46 0.216 3.258 0.146 1.00 54.23 C ATOM 774 CG2 VAL A 46 -0.793 1.446 -1.335 1.00 21.01 C ATOM 0 H VAL A 46 -3.326 2.601 -1.749 1.00 74.02 H new ATOM 0 HA VAL A 46 -2.271 2.166 0.887 1.00 14.55 H new ATOM 0 HB VAL A 46 -1.082 3.585 -1.533 1.00 34.01 H new ATOM 0 HG11 VAL A 46 1.124 3.208 -0.455 1.00 54.23 H new ATOM 0 HG12 VAL A 46 0.082 4.274 0.517 1.00 54.23 H new ATOM 0 HG13 VAL A 46 0.301 2.572 0.989 1.00 54.23 H new ATOM 0 HG21 VAL A 46 0.140 1.428 -1.898 1.00 21.01 H new ATOM 0 HG22 VAL A 46 -0.749 0.706 -0.536 1.00 21.01 H new ATOM 0 HG23 VAL A 46 -1.624 1.211 -2.001 1.00 21.01 H new ATOM 784 N HIS A 47 -3.328 5.190 0.134 1.00 54.21 N ATOM 785 CA HIS A 47 -3.851 6.442 0.759 1.00 63.20 C ATOM 786 C HIS A 47 -4.639 6.102 2.042 1.00 22.12 C ATOM 787 O HIS A 47 -4.452 6.731 3.093 1.00 72.00 O ATOM 788 CB HIS A 47 -4.738 7.242 -0.270 1.00 34.12 C ATOM 789 CG HIS A 47 -6.008 7.874 0.273 1.00 64.13 C ATOM 790 ND1 HIS A 47 -7.206 7.189 0.346 1.00 11.31 N ATOM 791 CD2 HIS A 47 -6.262 9.108 0.772 1.00 22.04 C ATOM 792 CE1 HIS A 47 -8.127 7.967 0.860 1.00 51.24 C ATOM 793 NE2 HIS A 47 -7.587 9.137 1.131 1.00 12.53 N ATOM 0 H HIS A 47 -3.622 5.066 -0.835 1.00 54.21 H new ATOM 0 HA HIS A 47 -3.013 7.081 1.037 1.00 63.20 H new ATOM 0 HB2 HIS A 47 -4.125 8.030 -0.707 1.00 34.12 H new ATOM 0 HB3 HIS A 47 -5.013 6.566 -1.080 1.00 34.12 H new ATOM 0 HD1 HIS A 47 -7.351 6.225 0.046 1.00 11.31 H new ATOM 0 HD2 HIS A 47 -5.554 9.918 0.869 1.00 22.04 H new ATOM 0 HE1 HIS A 47 -9.158 7.694 1.033 1.00 51.24 H new ATOM 802 N THR A 48 -5.515 5.091 1.917 1.00 44.43 N ATOM 803 CA THR A 48 -6.343 4.603 3.024 1.00 44.30 C ATOM 804 C THR A 48 -5.471 3.918 4.109 1.00 13.31 C ATOM 805 O THR A 48 -5.727 4.083 5.289 1.00 4.42 O ATOM 806 CB THR A 48 -7.455 3.630 2.512 1.00 43.34 C ATOM 807 OG1 THR A 48 -8.214 4.269 1.468 1.00 44.54 O ATOM 808 CG2 THR A 48 -8.416 3.185 3.632 1.00 13.43 C ATOM 0 H THR A 48 -5.667 4.590 1.041 1.00 44.43 H new ATOM 0 HA THR A 48 -6.833 5.465 3.476 1.00 44.30 H new ATOM 0 HB THR A 48 -6.952 2.740 2.135 1.00 43.34 H new ATOM 0 HG1 THR A 48 -7.657 4.359 0.667 1.00 44.54 H new ATOM 0 HG21 THR A 48 -9.167 2.511 3.220 1.00 13.43 H new ATOM 0 HG22 THR A 48 -7.854 2.669 4.410 1.00 13.43 H new ATOM 0 HG23 THR A 48 -8.908 4.059 4.058 1.00 13.43 H new ATOM 816 N MET A 49 -4.414 3.188 3.688 1.00 12.23 N ATOM 817 CA MET A 49 -3.440 2.549 4.624 1.00 54.23 C ATOM 818 C MET A 49 -2.632 3.598 5.415 1.00 23.04 C ATOM 819 O MET A 49 -2.295 3.376 6.582 1.00 52.52 O ATOM 820 CB MET A 49 -2.446 1.650 3.860 1.00 24.53 C ATOM 821 CG MET A 49 -3.089 0.538 3.057 1.00 10.44 C ATOM 822 SD MET A 49 -1.890 -0.390 2.093 1.00 20.22 S ATOM 823 CE MET A 49 -2.987 -1.353 1.072 1.00 10.33 C ATOM 0 H MET A 49 -4.207 3.022 2.703 1.00 12.23 H new ATOM 0 HA MET A 49 -4.029 1.950 5.318 1.00 54.23 H new ATOM 0 HB2 MET A 49 -1.857 2.273 3.187 1.00 24.53 H new ATOM 0 HB3 MET A 49 -1.752 1.209 4.575 1.00 24.53 H new ATOM 0 HG2 MET A 49 -3.611 -0.140 3.733 1.00 10.44 H new ATOM 0 HG3 MET A 49 -3.839 0.962 2.389 1.00 10.44 H new ATOM 0 HE1 MET A 49 -2.405 -2.053 0.472 1.00 10.33 H new ATOM 0 HE2 MET A 49 -3.681 -1.907 1.705 1.00 10.33 H new ATOM 0 HE3 MET A 49 -3.547 -0.689 0.413 1.00 10.33 H new ATOM 833 N LYS A 50 -2.303 4.716 4.747 1.00 2.41 N ATOM 834 CA LYS A 50 -1.530 5.813 5.354 1.00 21.41 C ATOM 835 C LYS A 50 -2.344 6.495 6.469 1.00 44.22 C ATOM 836 O LYS A 50 -1.857 6.665 7.579 1.00 70.15 O ATOM 837 CB LYS A 50 -1.111 6.850 4.284 1.00 21.41 C ATOM 838 CG LYS A 50 -0.124 7.926 4.800 1.00 2.12 C ATOM 839 CD LYS A 50 0.291 8.937 3.708 1.00 33.43 C ATOM 840 CE LYS A 50 -0.893 9.767 3.179 1.00 45.32 C ATOM 841 NZ LYS A 50 -1.556 10.553 4.255 1.00 14.52 N ATOM 0 H LYS A 50 -2.564 4.885 3.775 1.00 2.41 H new ATOM 0 HA LYS A 50 -0.627 5.388 5.792 1.00 21.41 H new ATOM 0 HB2 LYS A 50 -0.654 6.326 3.445 1.00 21.41 H new ATOM 0 HB3 LYS A 50 -2.005 7.345 3.903 1.00 21.41 H new ATOM 0 HG2 LYS A 50 -0.582 8.464 5.630 1.00 2.12 H new ATOM 0 HG3 LYS A 50 0.767 7.436 5.191 1.00 2.12 H new ATOM 0 HD2 LYS A 50 1.048 9.609 4.111 1.00 33.43 H new ATOM 0 HD3 LYS A 50 0.751 8.400 2.879 1.00 33.43 H new ATOM 0 HE2 LYS A 50 -0.540 10.445 2.401 1.00 45.32 H new ATOM 0 HE3 LYS A 50 -1.622 9.102 2.716 1.00 45.32 H new ATOM 0 HZ1 LYS A 50 -2.346 11.095 3.852 1.00 14.52 H new ATOM 0 HZ2 LYS A 50 -1.917 9.906 4.985 1.00 14.52 H new ATOM 0 HZ3 LYS A 50 -0.869 11.207 4.681 1.00 14.52 H new ATOM 855 N GLU A 51 -3.597 6.863 6.159 1.00 12.21 N ATOM 856 CA GLU A 51 -4.520 7.453 7.159 1.00 74.01 C ATOM 857 C GLU A 51 -4.919 6.426 8.259 1.00 45.33 C ATOM 858 O GLU A 51 -5.222 6.820 9.390 1.00 71.24 O ATOM 859 CB GLU A 51 -5.765 8.073 6.484 1.00 71.21 C ATOM 860 CG GLU A 51 -6.661 7.073 5.749 1.00 72.04 C ATOM 861 CD GLU A 51 -7.909 7.716 5.138 1.00 51.55 C ATOM 862 OE1 GLU A 51 -7.824 8.269 4.022 1.00 71.23 O ATOM 863 OE2 GLU A 51 -8.981 7.692 5.784 1.00 51.41 O ATOM 0 H GLU A 51 -4.000 6.765 5.227 1.00 12.21 H new ATOM 0 HA GLU A 51 -3.980 8.259 7.656 1.00 74.01 H new ATOM 0 HB2 GLU A 51 -6.358 8.581 7.244 1.00 71.21 H new ATOM 0 HB3 GLU A 51 -5.436 8.834 5.776 1.00 71.21 H new ATOM 0 HG2 GLU A 51 -6.085 6.591 4.959 1.00 72.04 H new ATOM 0 HG3 GLU A 51 -6.967 6.290 6.443 1.00 72.04 H new ATOM 870 N ILE A 52 -4.937 5.116 7.902 1.00 1.02 N ATOM 871 CA ILE A 52 -5.107 3.999 8.874 1.00 71.34 C ATOM 872 C ILE A 52 -3.999 4.038 9.958 1.00 42.45 C ATOM 873 O ILE A 52 -4.290 4.051 11.155 1.00 42.34 O ATOM 874 CB ILE A 52 -5.138 2.580 8.133 1.00 72.44 C ATOM 875 CG1 ILE A 52 -6.582 2.247 7.612 1.00 53.02 C ATOM 876 CG2 ILE A 52 -4.561 1.413 8.986 1.00 63.42 C ATOM 877 CD1 ILE A 52 -6.694 0.961 6.793 1.00 64.45 C ATOM 0 H ILE A 52 -4.835 4.803 6.937 1.00 1.02 H new ATOM 0 HA ILE A 52 -6.069 4.132 9.368 1.00 71.34 H new ATOM 0 HB ILE A 52 -4.471 2.675 7.276 1.00 72.44 H new ATOM 0 HG12 ILE A 52 -7.253 2.174 8.468 1.00 53.02 H new ATOM 0 HG13 ILE A 52 -6.933 3.080 7.002 1.00 53.02 H new ATOM 0 HG21 ILE A 52 -4.616 0.485 8.417 1.00 63.42 H new ATOM 0 HG22 ILE A 52 -3.521 1.624 9.236 1.00 63.42 H new ATOM 0 HG23 ILE A 52 -5.141 1.311 9.903 1.00 63.42 H new ATOM 0 HD11 ILE A 52 -7.728 0.818 6.479 1.00 64.45 H new ATOM 0 HD12 ILE A 52 -6.054 1.033 5.913 1.00 64.45 H new ATOM 0 HD13 ILE A 52 -6.379 0.113 7.402 1.00 64.45 H new ATOM 889 N THR A 53 -2.728 4.054 9.532 1.00 71.13 N ATOM 890 CA THR A 53 -1.586 4.100 10.471 1.00 53.04 C ATOM 891 C THR A 53 -1.470 5.475 11.189 1.00 33.52 C ATOM 892 O THR A 53 -1.027 5.536 12.334 1.00 2.44 O ATOM 893 CB THR A 53 -0.241 3.681 9.791 1.00 41.10 C ATOM 894 OG1 THR A 53 0.831 3.778 10.708 1.00 41.13 O ATOM 895 CG2 THR A 53 0.102 4.496 8.555 1.00 21.35 C ATOM 0 H THR A 53 -2.460 4.036 8.548 1.00 71.13 H new ATOM 0 HA THR A 53 -1.792 3.358 11.242 1.00 53.04 H new ATOM 0 HB THR A 53 -0.388 2.649 9.472 1.00 41.10 H new ATOM 0 HG1 THR A 53 1.158 4.702 10.733 1.00 41.13 H new ATOM 0 HG21 THR A 53 1.047 4.147 8.140 1.00 21.35 H new ATOM 0 HG22 THR A 53 -0.686 4.378 7.811 1.00 21.35 H new ATOM 0 HG23 THR A 53 0.191 5.548 8.826 1.00 21.35 H new ATOM 903 N GLU A 54 -1.918 6.569 10.528 1.00 62.41 N ATOM 904 CA GLU A 54 -1.963 7.929 11.141 1.00 65.14 C ATOM 905 C GLU A 54 -2.982 7.996 12.313 1.00 75.03 C ATOM 906 O GLU A 54 -2.688 8.590 13.357 1.00 33.51 O ATOM 907 CB GLU A 54 -2.285 9.023 10.071 1.00 30.33 C ATOM 908 CG GLU A 54 -1.142 9.293 9.066 1.00 73.23 C ATOM 909 CD GLU A 54 -1.522 10.279 7.941 1.00 53.23 C ATOM 910 OE1 GLU A 54 -2.177 9.864 6.964 1.00 52.30 O ATOM 911 OE2 GLU A 54 -1.171 11.475 8.026 1.00 70.23 O ATOM 0 H GLU A 54 -2.256 6.541 9.566 1.00 62.41 H new ATOM 0 HA GLU A 54 -0.972 8.130 11.548 1.00 65.14 H new ATOM 0 HB2 GLU A 54 -3.174 8.721 9.518 1.00 30.33 H new ATOM 0 HB3 GLU A 54 -2.529 9.954 10.583 1.00 30.33 H new ATOM 0 HG2 GLU A 54 -0.281 9.687 9.606 1.00 73.23 H new ATOM 0 HG3 GLU A 54 -0.833 8.348 8.619 1.00 73.23 H new ATOM 918 N THR A 55 -4.172 7.365 12.147 1.00 52.21 N ATOM 919 CA THR A 55 -5.214 7.329 13.218 1.00 14.33 C ATOM 920 C THR A 55 -4.827 6.345 14.354 1.00 14.33 C ATOM 921 O THR A 55 -5.264 6.503 15.503 1.00 53.34 O ATOM 922 CB THR A 55 -6.648 6.987 12.666 1.00 5.53 C ATOM 923 OG1 THR A 55 -7.630 7.168 13.700 1.00 54.40 O ATOM 924 CG2 THR A 55 -6.774 5.553 12.123 1.00 33.24 C ATOM 0 H THR A 55 -4.437 6.877 11.292 1.00 52.21 H new ATOM 0 HA THR A 55 -5.257 8.338 13.627 1.00 14.33 H new ATOM 0 HB THR A 55 -6.817 7.670 11.834 1.00 5.53 H new ATOM 0 HG1 THR A 55 -8.519 6.955 13.348 1.00 54.40 H new ATOM 0 HG21 THR A 55 -7.789 5.389 11.760 1.00 33.24 H new ATOM 0 HG22 THR A 55 -6.068 5.411 11.305 1.00 33.24 H new ATOM 0 HG23 THR A 55 -6.554 4.842 12.919 1.00 33.24 H new ATOM 932 N MET A 56 -3.990 5.332 14.023 1.00 73.43 N ATOM 933 CA MET A 56 -3.351 4.444 15.033 1.00 34.02 C ATOM 934 C MET A 56 -2.286 5.207 15.864 1.00 72.53 C ATOM 935 O MET A 56 -1.961 4.810 16.989 1.00 14.33 O ATOM 936 CB MET A 56 -2.696 3.213 14.345 1.00 3.03 C ATOM 937 CG MET A 56 -3.689 2.241 13.703 1.00 72.42 C ATOM 938 SD MET A 56 -4.846 1.557 14.908 1.00 74.31 S ATOM 939 CE MET A 56 -5.856 0.493 13.879 1.00 74.13 C ATOM 0 H MET A 56 -3.739 5.106 13.060 1.00 73.43 H new ATOM 0 HA MET A 56 -4.135 4.102 15.709 1.00 34.02 H new ATOM 0 HB2 MET A 56 -2.005 3.566 13.579 1.00 3.03 H new ATOM 0 HB3 MET A 56 -2.104 2.672 15.083 1.00 3.03 H new ATOM 0 HG2 MET A 56 -4.245 2.756 12.920 1.00 72.42 H new ATOM 0 HG3 MET A 56 -3.142 1.428 13.224 1.00 72.42 H new ATOM 0 HE1 MET A 56 -6.203 -0.358 14.466 1.00 74.13 H new ATOM 0 HE2 MET A 56 -6.715 1.053 13.509 1.00 74.13 H new ATOM 0 HE3 MET A 56 -5.265 0.135 13.035 1.00 74.13 H new ATOM 949 N GLY A 57 -1.763 6.307 15.293 1.00 21.21 N ATOM 950 CA GLY A 57 -0.713 7.119 15.929 1.00 1.35 C ATOM 951 C GLY A 57 0.702 6.722 15.499 1.00 21.43 C ATOM 952 O GLY A 57 1.685 7.167 16.095 1.00 64.32 O ATOM 0 H GLY A 57 -2.056 6.656 14.381 1.00 21.21 H new ATOM 0 HA2 GLY A 57 -0.878 8.169 15.687 1.00 1.35 H new ATOM 0 HA3 GLY A 57 -0.796 7.025 17.012 1.00 1.35 H new ATOM 956 N PHE A 58 0.802 5.865 14.467 1.00 2.11 N ATOM 957 CA PHE A 58 2.081 5.409 13.906 1.00 52.14 C ATOM 958 C PHE A 58 2.503 6.302 12.704 1.00 25.23 C ATOM 959 O PHE A 58 2.454 5.877 11.545 1.00 24.41 O ATOM 960 CB PHE A 58 1.958 3.926 13.466 1.00 13.12 C ATOM 961 CG PHE A 58 1.703 2.901 14.565 1.00 45.14 C ATOM 962 CD1 PHE A 58 2.519 2.841 15.689 1.00 54.10 C ATOM 963 CD2 PHE A 58 0.662 1.977 14.455 1.00 23.24 C ATOM 964 CE1 PHE A 58 2.291 1.899 16.675 1.00 1.22 C ATOM 965 CE2 PHE A 58 0.437 1.036 15.440 1.00 60.12 C ATOM 966 CZ PHE A 58 1.253 0.995 16.549 1.00 75.43 C ATOM 0 H PHE A 58 -0.011 5.468 13.997 1.00 2.11 H new ATOM 0 HA PHE A 58 2.852 5.490 14.672 1.00 52.14 H new ATOM 0 HB2 PHE A 58 1.149 3.853 12.740 1.00 13.12 H new ATOM 0 HB3 PHE A 58 2.876 3.648 12.949 1.00 13.12 H new ATOM 0 HD1 PHE A 58 3.339 3.537 15.793 1.00 54.10 H new ATOM 0 HD2 PHE A 58 0.022 1.999 13.585 1.00 23.24 H new ATOM 0 HE1 PHE A 58 2.927 1.869 17.548 1.00 1.22 H new ATOM 0 HE2 PHE A 58 -0.377 0.333 15.341 1.00 60.12 H new ATOM 0 HZ PHE A 58 1.082 0.257 17.319 1.00 75.43 H new ATOM 976 N SER A 59 2.924 7.547 12.994 1.00 32.30 N ATOM 977 CA SER A 59 3.365 8.512 11.949 1.00 40.44 C ATOM 978 C SER A 59 4.664 8.050 11.242 1.00 15.11 C ATOM 979 O SER A 59 4.866 8.326 10.054 1.00 24.20 O ATOM 980 CB SER A 59 3.562 9.921 12.554 1.00 72.31 C ATOM 981 OG SER A 59 2.353 10.413 13.115 1.00 31.43 O ATOM 0 H SER A 59 2.971 7.917 13.944 1.00 32.30 H new ATOM 0 HA SER A 59 2.576 8.553 11.198 1.00 40.44 H new ATOM 0 HB2 SER A 59 4.334 9.885 13.322 1.00 72.31 H new ATOM 0 HB3 SER A 59 3.913 10.606 11.782 1.00 72.31 H new ATOM 0 HG SER A 59 2.506 11.305 13.492 1.00 31.43 H new ATOM 987 N SER A 60 5.534 7.329 11.979 1.00 71.02 N ATOM 988 CA SER A 60 6.780 6.746 11.415 1.00 4.35 C ATOM 989 C SER A 60 6.460 5.657 10.358 1.00 0.42 C ATOM 990 O SER A 60 7.144 5.547 9.331 1.00 64.31 O ATOM 991 CB SER A 60 7.655 6.155 12.546 1.00 54.10 C ATOM 992 OG SER A 60 8.861 5.591 12.051 1.00 15.11 O ATOM 0 H SER A 60 5.400 7.133 12.971 1.00 71.02 H new ATOM 0 HA SER A 60 7.333 7.545 10.920 1.00 4.35 H new ATOM 0 HB2 SER A 60 7.891 6.937 13.267 1.00 54.10 H new ATOM 0 HB3 SER A 60 7.090 5.390 13.079 1.00 54.10 H new ATOM 0 HG SER A 60 9.384 5.231 12.797 1.00 15.11 H new ATOM 998 N VAL A 61 5.396 4.868 10.615 1.00 22.54 N ATOM 999 CA VAL A 61 4.899 3.846 9.661 1.00 52.50 C ATOM 1000 C VAL A 61 4.187 4.521 8.456 1.00 3.20 C ATOM 1001 O VAL A 61 4.259 4.025 7.328 1.00 21.03 O ATOM 1002 CB VAL A 61 3.930 2.824 10.362 1.00 4.21 C ATOM 1003 CG1 VAL A 61 3.437 1.723 9.382 1.00 74.14 C ATOM 1004 CG2 VAL A 61 4.581 2.200 11.627 1.00 52.43 C ATOM 0 H VAL A 61 4.859 4.918 11.481 1.00 22.54 H new ATOM 0 HA VAL A 61 5.763 3.292 9.295 1.00 52.50 H new ATOM 0 HB VAL A 61 3.053 3.387 10.682 1.00 4.21 H new ATOM 0 HG11 VAL A 61 2.771 1.039 9.908 1.00 74.14 H new ATOM 0 HG12 VAL A 61 2.901 2.187 8.554 1.00 74.14 H new ATOM 0 HG13 VAL A 61 4.293 1.170 8.996 1.00 74.14 H new ATOM 0 HG21 VAL A 61 3.884 1.499 12.086 1.00 52.43 H new ATOM 0 HG22 VAL A 61 5.493 1.673 11.345 1.00 52.43 H new ATOM 0 HG23 VAL A 61 4.823 2.989 12.338 1.00 52.43 H new ATOM 1014 N ALA A 62 3.520 5.670 8.706 1.00 3.43 N ATOM 1015 CA ALA A 62 2.874 6.479 7.635 1.00 15.33 C ATOM 1016 C ALA A 62 3.879 6.933 6.560 1.00 24.23 C ATOM 1017 O ALA A 62 3.516 7.041 5.394 1.00 24.25 O ATOM 1018 CB ALA A 62 2.144 7.695 8.215 1.00 55.10 C ATOM 0 H ALA A 62 3.412 6.063 9.641 1.00 3.43 H new ATOM 0 HA ALA A 62 2.144 5.826 7.157 1.00 15.33 H new ATOM 0 HB1 ALA A 62 1.684 8.263 7.406 1.00 55.10 H new ATOM 0 HB2 ALA A 62 1.372 7.360 8.908 1.00 55.10 H new ATOM 0 HB3 ALA A 62 2.856 8.328 8.744 1.00 55.10 H new ATOM 1024 N LYS A 63 5.135 7.200 6.976 1.00 1.03 N ATOM 1025 CA LYS A 63 6.239 7.530 6.044 1.00 70.33 C ATOM 1026 C LYS A 63 6.592 6.332 5.124 1.00 22.44 C ATOM 1027 O LYS A 63 6.956 6.533 3.964 1.00 5.43 O ATOM 1028 CB LYS A 63 7.499 8.000 6.814 1.00 71.35 C ATOM 1029 CG LYS A 63 7.315 9.309 7.609 1.00 23.05 C ATOM 1030 CD LYS A 63 8.632 9.855 8.230 1.00 44.11 C ATOM 1031 CE LYS A 63 9.600 10.512 7.210 1.00 64.42 C ATOM 1032 NZ LYS A 63 10.223 9.547 6.264 1.00 74.22 N ATOM 0 H LYS A 63 5.413 7.194 7.957 1.00 1.03 H new ATOM 0 HA LYS A 63 5.889 8.348 5.414 1.00 70.33 H new ATOM 0 HB2 LYS A 63 7.803 7.212 7.503 1.00 71.35 H new ATOM 0 HB3 LYS A 63 8.314 8.134 6.103 1.00 71.35 H new ATOM 0 HG2 LYS A 63 6.893 10.068 6.950 1.00 23.05 H new ATOM 0 HG3 LYS A 63 6.591 9.141 8.406 1.00 23.05 H new ATOM 0 HD2 LYS A 63 8.381 10.587 8.997 1.00 44.11 H new ATOM 0 HD3 LYS A 63 9.151 9.036 8.729 1.00 44.11 H new ATOM 0 HE2 LYS A 63 9.056 11.265 6.640 1.00 64.42 H new ATOM 0 HE3 LYS A 63 10.388 11.032 7.755 1.00 64.42 H new ATOM 0 HZ1 LYS A 63 11.211 9.821 6.089 1.00 74.22 H new ATOM 0 HZ2 LYS A 63 10.196 8.592 6.674 1.00 74.22 H new ATOM 0 HZ3 LYS A 63 9.698 9.553 5.366 1.00 74.22 H new ATOM 1046 N VAL A 64 6.469 5.095 5.653 1.00 52.32 N ATOM 1047 CA VAL A 64 6.669 3.855 4.857 1.00 35.42 C ATOM 1048 C VAL A 64 5.591 3.744 3.749 1.00 12.14 C ATOM 1049 O VAL A 64 5.908 3.520 2.588 1.00 32.02 O ATOM 1050 CB VAL A 64 6.630 2.561 5.759 1.00 51.55 C ATOM 1051 CG1 VAL A 64 6.813 1.270 4.915 1.00 62.52 C ATOM 1052 CG2 VAL A 64 7.679 2.637 6.899 1.00 34.15 C ATOM 0 H VAL A 64 6.232 4.924 6.630 1.00 52.32 H new ATOM 0 HA VAL A 64 7.658 3.922 4.403 1.00 35.42 H new ATOM 0 HB VAL A 64 5.642 2.515 6.217 1.00 51.55 H new ATOM 0 HG11 VAL A 64 6.781 0.399 5.570 1.00 62.52 H new ATOM 0 HG12 VAL A 64 6.012 1.200 4.179 1.00 62.52 H new ATOM 0 HG13 VAL A 64 7.775 1.303 4.403 1.00 62.52 H new ATOM 0 HG21 VAL A 64 7.627 1.731 7.502 1.00 34.15 H new ATOM 0 HG22 VAL A 64 8.677 2.730 6.470 1.00 34.15 H new ATOM 0 HG23 VAL A 64 7.472 3.503 7.527 1.00 34.15 H new ATOM 1062 N LEU A 65 4.317 3.933 4.131 1.00 62.32 N ATOM 1063 CA LEU A 65 3.170 3.903 3.183 1.00 12.10 C ATOM 1064 C LEU A 65 3.231 5.091 2.193 1.00 32.34 C ATOM 1065 O LEU A 65 2.867 4.961 1.020 1.00 53.42 O ATOM 1066 CB LEU A 65 1.815 3.877 3.959 1.00 5.33 C ATOM 1067 CG LEU A 65 1.406 2.499 4.587 1.00 12.44 C ATOM 1068 CD1 LEU A 65 1.200 1.438 3.485 1.00 4.12 C ATOM 1069 CD2 LEU A 65 2.425 2.017 5.637 1.00 61.54 C ATOM 0 H LEU A 65 4.045 4.111 5.098 1.00 62.32 H new ATOM 0 HA LEU A 65 3.238 2.987 2.596 1.00 12.10 H new ATOM 0 HB2 LEU A 65 1.863 4.617 4.758 1.00 5.33 H new ATOM 0 HB3 LEU A 65 1.024 4.192 3.279 1.00 5.33 H new ATOM 0 HG LEU A 65 0.459 2.645 5.107 1.00 12.44 H new ATOM 0 HD11 LEU A 65 0.917 0.490 3.941 1.00 4.12 H new ATOM 0 HD12 LEU A 65 0.411 1.765 2.808 1.00 4.12 H new ATOM 0 HD13 LEU A 65 2.127 1.309 2.926 1.00 4.12 H new ATOM 0 HD21 LEU A 65 2.101 1.060 6.045 1.00 61.54 H new ATOM 0 HD22 LEU A 65 3.402 1.900 5.169 1.00 61.54 H new ATOM 0 HD23 LEU A 65 2.493 2.750 6.441 1.00 61.54 H new ATOM 1081 N HIS A 66 3.760 6.224 2.678 1.00 72.13 N ATOM 1082 CA HIS A 66 3.952 7.453 1.885 1.00 51.22 C ATOM 1083 C HIS A 66 4.989 7.232 0.747 1.00 23.53 C ATOM 1084 O HIS A 66 4.940 7.928 -0.273 1.00 22.25 O ATOM 1085 CB HIS A 66 4.353 8.620 2.821 1.00 20.23 C ATOM 1086 CG HIS A 66 4.260 9.996 2.212 1.00 71.24 C ATOM 1087 ND1 HIS A 66 5.295 10.595 1.527 1.00 50.10 N ATOM 1088 CD2 HIS A 66 3.246 10.899 2.209 1.00 41.13 C ATOM 1089 CE1 HIS A 66 4.932 11.797 1.137 1.00 61.40 C ATOM 1090 NE2 HIS A 66 3.696 12.005 1.537 1.00 25.22 N ATOM 0 H HIS A 66 4.072 6.316 3.645 1.00 72.13 H new ATOM 0 HA HIS A 66 3.012 7.715 1.400 1.00 51.22 H new ATOM 0 HB2 HIS A 66 3.718 8.589 3.706 1.00 20.23 H new ATOM 0 HB3 HIS A 66 5.377 8.458 3.158 1.00 20.23 H new ATOM 0 HD2 HIS A 66 2.270 10.770 2.652 1.00 41.13 H new ATOM 0 HE1 HIS A 66 5.544 12.494 0.583 1.00 61.40 H new ATOM 0 HE2 HIS A 66 3.158 12.856 1.373 1.00 25.22 H new ATOM 1099 N THR A 67 5.935 6.263 0.931 1.00 13.53 N ATOM 1100 CA THR A 67 6.949 5.939 -0.123 1.00 72.34 C ATOM 1101 C THR A 67 6.292 5.331 -1.386 1.00 63.00 C ATOM 1102 O THR A 67 6.799 5.532 -2.487 1.00 5.31 O ATOM 1103 CB THR A 67 8.095 4.961 0.334 1.00 4.23 C ATOM 1104 OG1 THR A 67 7.597 3.620 0.504 1.00 32.02 O ATOM 1105 CG2 THR A 67 8.783 5.424 1.628 1.00 62.44 C ATOM 0 H THR A 67 6.017 5.703 1.780 1.00 13.53 H new ATOM 0 HA THR A 67 7.402 6.907 -0.339 1.00 72.34 H new ATOM 0 HB THR A 67 8.839 4.971 -0.462 1.00 4.23 H new ATOM 0 HG1 THR A 67 6.995 3.590 1.277 1.00 32.02 H new ATOM 0 HG21 THR A 67 9.565 4.714 1.898 1.00 62.44 H new ATOM 0 HG22 THR A 67 9.224 6.409 1.473 1.00 62.44 H new ATOM 0 HG23 THR A 67 8.048 5.478 2.431 1.00 62.44 H new ATOM 1113 N ILE A 68 5.153 4.601 -1.220 1.00 42.25 N ATOM 1114 CA ILE A 68 4.423 3.993 -2.361 1.00 14.10 C ATOM 1115 C ILE A 68 3.671 5.110 -3.102 1.00 21.10 C ATOM 1116 O ILE A 68 3.638 5.157 -4.326 1.00 53.04 O ATOM 1117 CB ILE A 68 3.388 2.867 -1.932 1.00 64.32 C ATOM 1118 CG1 ILE A 68 4.071 1.674 -1.178 1.00 34.04 C ATOM 1119 CG2 ILE A 68 2.585 2.340 -3.152 1.00 32.14 C ATOM 1120 CD1 ILE A 68 4.426 1.940 0.272 1.00 32.40 C ATOM 0 H ILE A 68 4.726 4.422 -0.311 1.00 42.25 H new ATOM 0 HA ILE A 68 5.163 3.506 -2.996 1.00 14.10 H new ATOM 0 HB ILE A 68 2.697 3.341 -1.235 1.00 64.32 H new ATOM 0 HG12 ILE A 68 3.406 0.812 -1.219 1.00 34.04 H new ATOM 0 HG13 ILE A 68 4.981 1.401 -1.713 1.00 34.04 H new ATOM 0 HG21 ILE A 68 1.886 1.571 -2.823 1.00 32.14 H new ATOM 0 HG22 ILE A 68 2.032 3.162 -3.606 1.00 32.14 H new ATOM 0 HG23 ILE A 68 3.272 1.916 -3.884 1.00 32.14 H new ATOM 0 HD11 ILE A 68 4.892 1.053 0.701 1.00 32.40 H new ATOM 0 HD12 ILE A 68 5.120 2.779 0.329 1.00 32.40 H new ATOM 0 HD13 ILE A 68 3.521 2.180 0.830 1.00 32.40 H new ATOM 1132 N MET A 69 3.107 6.031 -2.310 1.00 21.11 N ATOM 1133 CA MET A 69 2.318 7.169 -2.812 1.00 24.44 C ATOM 1134 C MET A 69 3.192 8.117 -3.665 1.00 71.32 C ATOM 1135 O MET A 69 2.764 8.588 -4.718 1.00 32.33 O ATOM 1136 CB MET A 69 1.682 7.926 -1.623 1.00 21.33 C ATOM 1137 CG MET A 69 0.998 7.008 -0.592 1.00 61.04 C ATOM 1138 SD MET A 69 -0.225 7.861 0.420 1.00 1.20 S ATOM 1139 CE MET A 69 -1.313 8.539 -0.832 1.00 34.32 C ATOM 0 H MET A 69 3.185 6.009 -1.293 1.00 21.11 H new ATOM 0 HA MET A 69 1.524 6.789 -3.455 1.00 24.44 H new ATOM 0 HB2 MET A 69 2.455 8.508 -1.120 1.00 21.33 H new ATOM 0 HB3 MET A 69 0.948 8.635 -2.007 1.00 21.33 H new ATOM 0 HG2 MET A 69 0.515 6.182 -1.115 1.00 61.04 H new ATOM 0 HG3 MET A 69 1.758 6.573 0.058 1.00 61.04 H new ATOM 0 HE1 MET A 69 -2.225 8.907 -0.361 1.00 34.32 H new ATOM 0 HE2 MET A 69 -0.811 9.360 -1.344 1.00 34.32 H new ATOM 0 HE3 MET A 69 -1.566 7.762 -1.554 1.00 34.32 H new ATOM 1149 N ASN A 70 4.424 8.356 -3.183 1.00 44.31 N ATOM 1150 CA ASN A 70 5.465 9.099 -3.923 1.00 0.44 C ATOM 1151 C ASN A 70 5.840 8.350 -5.223 1.00 11.33 C ATOM 1152 O ASN A 70 5.764 8.901 -6.310 1.00 73.34 O ATOM 1153 CB ASN A 70 6.717 9.273 -3.020 1.00 51.33 C ATOM 1154 CG ASN A 70 7.875 10.010 -3.707 1.00 2.14 C ATOM 1155 OD1 ASN A 70 8.758 9.394 -4.295 1.00 43.34 O ATOM 1156 ND2 ASN A 70 7.882 11.329 -3.646 1.00 24.52 N ATOM 0 H ASN A 70 4.730 8.038 -2.263 1.00 44.31 H new ATOM 0 HA ASN A 70 5.079 10.082 -4.194 1.00 0.44 H new ATOM 0 HB2 ASN A 70 6.433 9.820 -2.121 1.00 51.33 H new ATOM 0 HB3 ASN A 70 7.063 8.290 -2.700 1.00 51.33 H new ATOM 0 HD21 ASN A 70 8.632 11.856 -4.093 1.00 24.52 H new ATOM 0 HD22 ASN A 70 7.137 11.821 -3.152 1.00 24.52 H new ATOM 1163 N LEU A 71 6.189 7.068 -5.063 1.00 4.20 N ATOM 1164 CA LEU A 71 6.680 6.184 -6.150 1.00 10.32 C ATOM 1165 C LEU A 71 5.697 6.163 -7.364 1.00 12.52 C ATOM 1166 O LEU A 71 6.066 6.513 -8.496 1.00 72.42 O ATOM 1167 CB LEU A 71 6.876 4.762 -5.528 1.00 63.53 C ATOM 1168 CG LEU A 71 7.861 3.779 -6.226 1.00 42.21 C ATOM 1169 CD1 LEU A 71 8.105 2.531 -5.346 1.00 50.34 C ATOM 1170 CD2 LEU A 71 7.367 3.369 -7.620 1.00 45.45 C ATOM 0 H LEU A 71 6.140 6.598 -4.159 1.00 4.20 H new ATOM 0 HA LEU A 71 7.624 6.554 -6.549 1.00 10.32 H new ATOM 0 HB2 LEU A 71 7.211 4.893 -4.499 1.00 63.53 H new ATOM 0 HB3 LEU A 71 5.899 4.280 -5.487 1.00 63.53 H new ATOM 0 HG LEU A 71 8.807 4.305 -6.356 1.00 42.21 H new ATOM 0 HD11 LEU A 71 8.796 1.858 -5.853 1.00 50.34 H new ATOM 0 HD12 LEU A 71 8.532 2.837 -4.391 1.00 50.34 H new ATOM 0 HD13 LEU A 71 7.159 2.017 -5.173 1.00 50.34 H new ATOM 0 HD21 LEU A 71 8.083 2.683 -8.073 1.00 45.45 H new ATOM 0 HD22 LEU A 71 6.398 2.877 -7.533 1.00 45.45 H new ATOM 0 HD23 LEU A 71 7.268 4.256 -8.246 1.00 45.45 H new ATOM 1182 N VAL A 72 4.454 5.772 -7.081 1.00 51.42 N ATOM 1183 CA VAL A 72 3.366 5.664 -8.071 1.00 33.55 C ATOM 1184 C VAL A 72 2.961 7.044 -8.676 1.00 42.34 C ATOM 1185 O VAL A 72 2.572 7.123 -9.852 1.00 31.21 O ATOM 1186 CB VAL A 72 2.119 4.956 -7.431 1.00 71.25 C ATOM 1187 CG1 VAL A 72 0.988 4.799 -8.460 1.00 42.55 C ATOM 1188 CG2 VAL A 72 2.508 3.578 -6.829 1.00 2.42 C ATOM 0 H VAL A 72 4.163 5.514 -6.138 1.00 51.42 H new ATOM 0 HA VAL A 72 3.743 5.059 -8.896 1.00 33.55 H new ATOM 0 HB VAL A 72 1.756 5.589 -6.621 1.00 71.25 H new ATOM 0 HG11 VAL A 72 0.136 4.306 -7.992 1.00 42.55 H new ATOM 0 HG12 VAL A 72 0.685 5.782 -8.821 1.00 42.55 H new ATOM 0 HG13 VAL A 72 1.340 4.198 -9.298 1.00 42.55 H new ATOM 0 HG21 VAL A 72 1.626 3.110 -6.392 1.00 2.42 H new ATOM 0 HG22 VAL A 72 2.908 2.937 -7.615 1.00 2.42 H new ATOM 0 HG23 VAL A 72 3.264 3.719 -6.056 1.00 2.42 H new ATOM 1198 N ASP A 73 3.079 8.121 -7.869 1.00 34.13 N ATOM 1199 CA ASP A 73 2.851 9.515 -8.337 1.00 73.44 C ATOM 1200 C ASP A 73 3.745 9.848 -9.564 1.00 12.54 C ATOM 1201 O ASP A 73 3.306 10.523 -10.499 1.00 71.43 O ATOM 1202 CB ASP A 73 3.111 10.513 -7.178 1.00 42.24 C ATOM 1203 CG ASP A 73 3.004 11.991 -7.591 1.00 63.51 C ATOM 1204 OD1 ASP A 73 1.874 12.505 -7.708 1.00 60.54 O ATOM 1205 OD2 ASP A 73 4.055 12.644 -7.813 1.00 41.04 O ATOM 0 H ASP A 73 3.332 8.055 -6.883 1.00 34.13 H new ATOM 0 HA ASP A 73 1.812 9.607 -8.653 1.00 73.44 H new ATOM 0 HB2 ASP A 73 2.398 10.318 -6.377 1.00 42.24 H new ATOM 0 HB3 ASP A 73 4.106 10.331 -6.771 1.00 42.24 H new ATOM 1210 N LYS A 74 5.001 9.361 -9.542 1.00 54.20 N ATOM 1211 CA LYS A 74 5.949 9.531 -10.665 1.00 71.13 C ATOM 1212 C LYS A 74 5.618 8.562 -11.832 1.00 54.32 C ATOM 1213 O LYS A 74 5.667 8.967 -13.000 1.00 51.52 O ATOM 1214 CB LYS A 74 7.433 9.378 -10.193 1.00 35.34 C ATOM 1215 CG LYS A 74 7.992 10.597 -9.397 1.00 62.14 C ATOM 1216 CD LYS A 74 7.339 10.768 -8.007 1.00 21.33 C ATOM 1217 CE LYS A 74 7.725 12.066 -7.282 1.00 14.32 C ATOM 1218 NZ LYS A 74 7.184 13.267 -7.963 1.00 75.42 N ATOM 0 H LYS A 74 5.387 8.842 -8.753 1.00 54.20 H new ATOM 0 HA LYS A 74 5.834 10.548 -11.041 1.00 71.13 H new ATOM 0 HB2 LYS A 74 7.512 8.487 -9.570 1.00 35.34 H new ATOM 0 HB3 LYS A 74 8.063 9.212 -11.067 1.00 35.34 H new ATOM 0 HG2 LYS A 74 9.069 10.479 -9.273 1.00 62.14 H new ATOM 0 HG3 LYS A 74 7.836 11.505 -9.979 1.00 62.14 H new ATOM 0 HD2 LYS A 74 6.255 10.738 -8.122 1.00 21.33 H new ATOM 0 HD3 LYS A 74 7.617 9.920 -7.381 1.00 21.33 H new ATOM 0 HE2 LYS A 74 7.354 12.033 -6.258 1.00 14.32 H new ATOM 0 HE3 LYS A 74 8.811 12.140 -7.226 1.00 14.32 H new ATOM 0 HZ1 LYS A 74 7.410 14.114 -7.404 1.00 75.42 H new ATOM 0 HZ2 LYS A 74 7.610 13.351 -8.908 1.00 75.42 H new ATOM 0 HZ3 LYS A 74 6.152 13.179 -8.055 1.00 75.42 H new ATOM 1232 N MET A 75 5.229 7.306 -11.492 1.00 60.20 N ATOM 1233 CA MET A 75 4.862 6.245 -12.484 1.00 15.31 C ATOM 1234 C MET A 75 3.765 6.713 -13.476 1.00 1.34 C ATOM 1235 O MET A 75 3.820 6.383 -14.666 1.00 0.52 O ATOM 1236 CB MET A 75 4.350 4.973 -11.754 1.00 33.33 C ATOM 1237 CG MET A 75 5.408 4.152 -11.026 1.00 54.43 C ATOM 1238 SD MET A 75 4.646 2.754 -10.173 1.00 22.12 S ATOM 1239 CE MET A 75 5.949 1.533 -10.196 1.00 51.44 C ATOM 0 H MET A 75 5.159 6.994 -10.523 1.00 60.20 H new ATOM 0 HA MET A 75 5.769 6.026 -13.048 1.00 15.31 H new ATOM 0 HB2 MET A 75 3.590 5.273 -11.032 1.00 33.33 H new ATOM 0 HB3 MET A 75 3.859 4.331 -12.485 1.00 33.33 H new ATOM 0 HG2 MET A 75 6.150 3.791 -11.738 1.00 54.43 H new ATOM 0 HG3 MET A 75 5.935 4.781 -10.308 1.00 54.43 H new ATOM 0 HE1 MET A 75 5.595 0.632 -10.697 1.00 51.44 H new ATOM 0 HE2 MET A 75 6.811 1.931 -10.731 1.00 51.44 H new ATOM 0 HE3 MET A 75 6.238 1.290 -9.173 1.00 51.44 H new ATOM 1249 N LEU A 76 2.798 7.504 -12.953 1.00 61.51 N ATOM 1250 CA LEU A 76 1.626 8.022 -13.712 1.00 5.33 C ATOM 1251 C LEU A 76 2.032 8.667 -15.052 1.00 71.44 C ATOM 1252 O LEU A 76 1.409 8.449 -16.097 1.00 75.15 O ATOM 1253 CB LEU A 76 0.900 9.108 -12.867 1.00 2.05 C ATOM 1254 CG LEU A 76 -0.511 9.544 -13.390 1.00 24.04 C ATOM 1255 CD1 LEU A 76 -1.522 8.373 -13.317 1.00 1.21 C ATOM 1256 CD2 LEU A 76 -1.029 10.794 -12.644 1.00 54.42 C ATOM 0 H LEU A 76 2.807 7.806 -11.979 1.00 61.51 H new ATOM 0 HA LEU A 76 0.978 7.169 -13.916 1.00 5.33 H new ATOM 0 HB2 LEU A 76 0.791 8.737 -11.848 1.00 2.05 H new ATOM 0 HB3 LEU A 76 1.538 9.991 -12.818 1.00 2.05 H new ATOM 0 HG LEU A 76 -0.405 9.818 -14.440 1.00 24.04 H new ATOM 0 HD11 LEU A 76 -2.492 8.706 -13.687 1.00 1.21 H new ATOM 0 HD12 LEU A 76 -1.165 7.545 -13.930 1.00 1.21 H new ATOM 0 HD13 LEU A 76 -1.622 8.042 -12.283 1.00 1.21 H new ATOM 0 HD21 LEU A 76 -2.010 11.069 -13.032 1.00 54.42 H new ATOM 0 HD22 LEU A 76 -1.108 10.575 -11.579 1.00 54.42 H new ATOM 0 HD23 LEU A 76 -0.335 11.621 -12.794 1.00 54.42 H new ATOM 1268 N ASN A 77 3.104 9.450 -14.979 1.00 41.41 N ATOM 1269 CA ASN A 77 3.508 10.381 -16.031 1.00 71.02 C ATOM 1270 C ASN A 77 4.463 9.709 -17.041 1.00 11.21 C ATOM 1271 O ASN A 77 5.276 8.848 -16.679 1.00 3.53 O ATOM 1272 CB ASN A 77 4.166 11.619 -15.375 1.00 51.12 C ATOM 1273 CG ASN A 77 3.366 12.145 -14.183 1.00 2.23 C ATOM 1274 OD1 ASN A 77 2.494 12.992 -14.324 1.00 71.04 O ATOM 1275 ND2 ASN A 77 3.635 11.621 -13.005 1.00 65.02 N ATOM 0 H ASN A 77 3.729 9.456 -14.173 1.00 41.41 H new ATOM 0 HA ASN A 77 2.628 10.694 -16.592 1.00 71.02 H new ATOM 0 HB2 ASN A 77 5.173 11.360 -15.047 1.00 51.12 H new ATOM 0 HB3 ASN A 77 4.266 12.410 -16.118 1.00 51.12 H new ATOM 0 HD21 ASN A 77 3.111 11.920 -12.182 1.00 65.02 H new ATOM 0 HD22 ASN A 77 4.367 10.916 -12.915 1.00 65.02 H new ATOM 1282 N SER A 78 4.386 10.160 -18.306 1.00 50.32 N ATOM 1283 CA SER A 78 5.213 9.627 -19.423 1.00 62.02 C ATOM 1284 C SER A 78 6.707 10.045 -19.312 1.00 73.42 C ATOM 1285 O SER A 78 7.518 9.695 -20.169 1.00 34.31 O ATOM 1286 CB SER A 78 4.628 10.107 -20.772 1.00 52.30 C ATOM 1287 OG SER A 78 3.272 9.700 -20.934 1.00 23.42 O ATOM 0 H SER A 78 3.750 10.905 -18.591 1.00 50.32 H new ATOM 0 HA SER A 78 5.182 8.539 -19.365 1.00 62.02 H new ATOM 0 HB2 SER A 78 4.691 11.194 -20.830 1.00 52.30 H new ATOM 0 HB3 SER A 78 5.228 9.709 -21.591 1.00 52.30 H new ATOM 0 HG SER A 78 2.935 10.022 -21.796 1.00 23.42 H new ATOM 1293 N GLU A 79 7.048 10.801 -18.250 1.00 62.15 N ATOM 1294 CA GLU A 79 8.423 11.246 -17.942 1.00 4.23 C ATOM 1295 C GLU A 79 9.234 10.105 -17.286 1.00 54.54 C ATOM 1296 O GLU A 79 10.467 10.085 -17.345 1.00 1.42 O ATOM 1297 CB GLU A 79 8.354 12.485 -16.985 1.00 3.23 C ATOM 1298 CG GLU A 79 7.852 13.816 -17.619 1.00 23.44 C ATOM 1299 CD GLU A 79 6.522 13.707 -18.394 1.00 24.11 C ATOM 1300 OE1 GLU A 79 5.469 13.518 -17.754 1.00 12.51 O ATOM 1301 OE2 GLU A 79 6.528 13.756 -19.643 1.00 31.44 O ATOM 0 H GLU A 79 6.362 11.126 -17.568 1.00 62.15 H new ATOM 0 HA GLU A 79 8.927 11.524 -18.868 1.00 4.23 H new ATOM 0 HB2 GLU A 79 7.701 12.236 -16.149 1.00 3.23 H new ATOM 0 HB3 GLU A 79 9.349 12.655 -16.573 1.00 3.23 H new ATOM 0 HG2 GLU A 79 7.735 14.556 -16.828 1.00 23.44 H new ATOM 0 HG3 GLU A 79 8.620 14.191 -18.295 1.00 23.44 H new ATOM 1308 N ILE A 80 8.512 9.160 -16.656 1.00 41.04 N ATOM 1309 CA ILE A 80 9.093 8.065 -15.854 1.00 72.23 C ATOM 1310 C ILE A 80 8.690 6.692 -16.441 1.00 0.53 C ATOM 1311 O ILE A 80 7.517 6.462 -16.757 1.00 61.01 O ATOM 1312 CB ILE A 80 8.598 8.184 -14.359 1.00 11.35 C ATOM 1313 CG1 ILE A 80 8.941 9.600 -13.771 1.00 61.12 C ATOM 1314 CG2 ILE A 80 9.164 7.044 -13.470 1.00 0.11 C ATOM 1315 CD1 ILE A 80 10.424 9.872 -13.541 1.00 31.05 C ATOM 0 H ILE A 80 7.493 9.135 -16.690 1.00 41.04 H new ATOM 0 HA ILE A 80 10.180 8.144 -15.881 1.00 72.23 H new ATOM 0 HB ILE A 80 7.514 8.073 -14.359 1.00 11.35 H new ATOM 0 HG12 ILE A 80 8.550 10.360 -14.448 1.00 61.12 H new ATOM 0 HG13 ILE A 80 8.416 9.718 -12.823 1.00 61.12 H new ATOM 0 HG21 ILE A 80 8.799 7.163 -12.450 1.00 0.11 H new ATOM 0 HG22 ILE A 80 8.838 6.081 -13.862 1.00 0.11 H new ATOM 0 HG23 ILE A 80 10.253 7.087 -13.473 1.00 0.11 H new ATOM 0 HD11 ILE A 80 10.551 10.875 -13.134 1.00 31.05 H new ATOM 0 HD12 ILE A 80 10.823 9.142 -12.837 1.00 31.05 H new ATOM 0 HD13 ILE A 80 10.959 9.794 -14.487 1.00 31.05 H new ATOM 1327 N LYS A 81 9.679 5.789 -16.611 1.00 40.34 N ATOM 1328 CA LYS A 81 9.429 4.394 -17.034 1.00 75.23 C ATOM 1329 C LYS A 81 9.107 3.504 -15.813 1.00 52.51 C ATOM 1330 O LYS A 81 9.826 3.523 -14.800 1.00 73.34 O ATOM 1331 CB LYS A 81 10.636 3.814 -17.843 1.00 60.35 C ATOM 1332 CG LYS A 81 10.661 4.190 -19.353 1.00 20.23 C ATOM 1333 CD LYS A 81 10.900 5.692 -19.641 1.00 70.04 C ATOM 1334 CE LYS A 81 12.285 6.171 -19.180 1.00 71.34 C ATOM 1335 NZ LYS A 81 12.562 7.567 -19.599 1.00 22.42 N ATOM 0 H LYS A 81 10.665 6.003 -16.461 1.00 40.34 H new ATOM 0 HA LYS A 81 8.563 4.398 -17.696 1.00 75.23 H new ATOM 0 HB2 LYS A 81 11.562 4.160 -17.383 1.00 60.35 H new ATOM 0 HB3 LYS A 81 10.624 2.728 -17.755 1.00 60.35 H new ATOM 0 HG2 LYS A 81 11.442 3.611 -19.845 1.00 20.23 H new ATOM 0 HG3 LYS A 81 9.713 3.894 -19.803 1.00 20.23 H new ATOM 0 HD2 LYS A 81 10.795 5.874 -20.711 1.00 70.04 H new ATOM 0 HD3 LYS A 81 10.131 6.281 -19.140 1.00 70.04 H new ATOM 0 HE2 LYS A 81 12.350 6.099 -18.094 1.00 71.34 H new ATOM 0 HE3 LYS A 81 13.051 5.512 -19.589 1.00 71.34 H new ATOM 0 HZ1 LYS A 81 13.507 7.848 -19.267 1.00 22.42 H new ATOM 0 HZ2 LYS A 81 12.526 7.632 -20.636 1.00 22.42 H new ATOM 0 HZ3 LYS A 81 11.847 8.201 -19.188 1.00 22.42 H new ATOM 1349 N ILE A 82 8.013 2.733 -15.925 1.00 0.23 N ATOM 1350 CA ILE A 82 7.583 1.789 -14.886 1.00 4.54 C ATOM 1351 C ILE A 82 8.404 0.488 -15.026 1.00 4.22 C ATOM 1352 O ILE A 82 8.014 -0.451 -15.738 1.00 73.03 O ATOM 1353 CB ILE A 82 6.020 1.495 -14.943 1.00 72.15 C ATOM 1354 CG1 ILE A 82 5.156 2.807 -14.872 1.00 1.55 C ATOM 1355 CG2 ILE A 82 5.582 0.516 -13.830 1.00 44.33 C ATOM 1356 CD1 ILE A 82 5.007 3.566 -16.179 1.00 62.10 C ATOM 0 H ILE A 82 7.402 2.748 -16.741 1.00 0.23 H new ATOM 0 HA ILE A 82 7.768 2.238 -13.910 1.00 4.54 H new ATOM 0 HB ILE A 82 5.839 1.029 -15.912 1.00 72.15 H new ATOM 0 HG12 ILE A 82 4.162 2.547 -14.508 1.00 1.55 H new ATOM 0 HG13 ILE A 82 5.601 3.474 -14.134 1.00 1.55 H new ATOM 0 HG21 ILE A 82 4.509 0.340 -13.902 1.00 44.33 H new ATOM 0 HG22 ILE A 82 6.113 -0.429 -13.947 1.00 44.33 H new ATOM 0 HG23 ILE A 82 5.815 0.945 -12.856 1.00 44.33 H new ATOM 0 HD11 ILE A 82 4.394 4.452 -16.017 1.00 62.10 H new ATOM 0 HD12 ILE A 82 5.991 3.866 -16.539 1.00 62.10 H new ATOM 0 HD13 ILE A 82 4.529 2.925 -16.920 1.00 62.10 H new ATOM 1368 N THR A 83 9.593 0.493 -14.393 1.00 55.44 N ATOM 1369 CA THR A 83 10.546 -0.632 -14.443 1.00 64.35 C ATOM 1370 C THR A 83 9.992 -1.865 -13.690 1.00 34.22 C ATOM 1371 O THR A 83 9.366 -1.705 -12.647 1.00 72.14 O ATOM 1372 CB THR A 83 11.936 -0.204 -13.845 1.00 62.12 C ATOM 1373 OG1 THR A 83 12.458 0.928 -14.569 1.00 12.23 O ATOM 1374 CG2 THR A 83 12.977 -1.345 -13.865 1.00 34.11 C ATOM 0 H THR A 83 9.920 1.279 -13.831 1.00 55.44 H new ATOM 0 HA THR A 83 10.685 -0.908 -15.488 1.00 64.35 H new ATOM 0 HB THR A 83 11.759 0.059 -12.802 1.00 62.12 H new ATOM 0 HG1 THR A 83 13.323 1.189 -14.189 1.00 12.23 H new ATOM 0 HG21 THR A 83 13.915 -0.989 -13.440 1.00 34.11 H new ATOM 0 HG22 THR A 83 12.608 -2.185 -13.277 1.00 34.11 H new ATOM 0 HG23 THR A 83 13.144 -1.668 -14.893 1.00 34.11 H new ATOM 1382 N SER A 84 10.234 -3.082 -14.225 1.00 33.54 N ATOM 1383 CA SER A 84 9.737 -4.353 -13.624 1.00 22.24 C ATOM 1384 C SER A 84 10.176 -4.527 -12.141 1.00 45.30 C ATOM 1385 O SER A 84 9.362 -4.869 -11.277 1.00 13.23 O ATOM 1386 CB SER A 84 10.220 -5.566 -14.454 1.00 2.12 C ATOM 1387 OG SER A 84 11.638 -5.663 -14.455 1.00 10.12 O ATOM 0 H SER A 84 10.775 -3.218 -15.079 1.00 33.54 H new ATOM 0 HA SER A 84 8.648 -4.302 -13.640 1.00 22.24 H new ATOM 0 HB2 SER A 84 9.792 -6.482 -14.046 1.00 2.12 H new ATOM 0 HB3 SER A 84 9.859 -5.474 -15.479 1.00 2.12 H new ATOM 0 HG SER A 84 11.912 -6.440 -14.986 1.00 10.12 H new ATOM 1393 N ASP A 85 11.468 -4.269 -11.862 1.00 14.30 N ATOM 1394 CA ASP A 85 12.025 -4.319 -10.488 1.00 4.21 C ATOM 1395 C ASP A 85 11.556 -3.127 -9.609 1.00 70.23 C ATOM 1396 O ASP A 85 11.643 -3.180 -8.376 1.00 20.31 O ATOM 1397 CB ASP A 85 13.560 -4.363 -10.541 1.00 71.33 C ATOM 1398 CG ASP A 85 14.097 -5.611 -11.260 1.00 3.33 C ATOM 1399 OD1 ASP A 85 14.180 -6.680 -10.621 1.00 74.23 O ATOM 1400 OD2 ASP A 85 14.437 -5.527 -12.464 1.00 3.20 O ATOM 0 H ASP A 85 12.155 -4.021 -12.574 1.00 14.30 H new ATOM 0 HA ASP A 85 11.646 -5.229 -10.023 1.00 4.21 H new ATOM 0 HB2 ASP A 85 13.927 -3.471 -11.049 1.00 71.33 H new ATOM 0 HB3 ASP A 85 13.955 -4.337 -9.525 1.00 71.33 H new ATOM 1405 N LEU A 86 11.091 -2.043 -10.246 1.00 74.33 N ATOM 1406 CA LEU A 86 10.468 -0.910 -9.530 1.00 22.23 C ATOM 1407 C LEU A 86 9.010 -1.242 -9.097 1.00 4.30 C ATOM 1408 O LEU A 86 8.545 -0.788 -8.047 1.00 63.35 O ATOM 1409 CB LEU A 86 10.484 0.365 -10.395 1.00 53.24 C ATOM 1410 CG LEU A 86 9.999 1.654 -9.673 1.00 33.24 C ATOM 1411 CD1 LEU A 86 11.050 2.168 -8.663 1.00 71.34 C ATOM 1412 CD2 LEU A 86 9.577 2.746 -10.684 1.00 41.23 C ATOM 0 H LEU A 86 11.133 -1.923 -11.258 1.00 74.33 H new ATOM 0 HA LEU A 86 11.059 -0.732 -8.631 1.00 22.23 H new ATOM 0 HB2 LEU A 86 11.499 0.529 -10.756 1.00 53.24 H new ATOM 0 HB3 LEU A 86 9.857 0.200 -11.271 1.00 53.24 H new ATOM 0 HG LEU A 86 9.110 1.395 -9.099 1.00 33.24 H new ATOM 0 HD11 LEU A 86 10.677 3.070 -8.177 1.00 71.34 H new ATOM 0 HD12 LEU A 86 11.237 1.402 -7.911 1.00 71.34 H new ATOM 0 HD13 LEU A 86 11.978 2.396 -9.188 1.00 71.34 H new ATOM 0 HD21 LEU A 86 9.244 3.632 -10.144 1.00 41.23 H new ATOM 0 HD22 LEU A 86 10.426 3.004 -11.316 1.00 41.23 H new ATOM 0 HD23 LEU A 86 8.763 2.372 -11.305 1.00 41.23 H new ATOM 1424 N ILE A 87 8.293 -2.022 -9.932 1.00 31.14 N ATOM 1425 CA ILE A 87 6.970 -2.600 -9.566 1.00 73.14 C ATOM 1426 C ILE A 87 7.167 -3.592 -8.389 1.00 4.04 C ATOM 1427 O ILE A 87 6.316 -3.732 -7.505 1.00 50.53 O ATOM 1428 CB ILE A 87 6.313 -3.370 -10.780 1.00 60.03 C ATOM 1429 CG1 ILE A 87 6.293 -2.497 -12.069 1.00 12.53 C ATOM 1430 CG2 ILE A 87 4.883 -3.859 -10.442 1.00 53.54 C ATOM 1431 CD1 ILE A 87 5.848 -3.228 -13.337 1.00 1.22 C ATOM 0 H ILE A 87 8.605 -2.271 -10.871 1.00 31.14 H new ATOM 0 HA ILE A 87 6.306 -1.783 -9.283 1.00 73.14 H new ATOM 0 HB ILE A 87 6.935 -4.245 -10.969 1.00 60.03 H new ATOM 0 HG12 ILE A 87 5.629 -1.648 -11.905 1.00 12.53 H new ATOM 0 HG13 ILE A 87 7.292 -2.093 -12.232 1.00 12.53 H new ATOM 0 HG21 ILE A 87 4.465 -4.383 -11.301 1.00 53.54 H new ATOM 0 HG22 ILE A 87 4.922 -4.535 -9.588 1.00 53.54 H new ATOM 0 HG23 ILE A 87 4.254 -3.003 -10.198 1.00 53.54 H new ATOM 0 HD11 ILE A 87 5.867 -2.538 -14.180 1.00 1.22 H new ATOM 0 HD12 ILE A 87 6.524 -4.060 -13.534 1.00 1.22 H new ATOM 0 HD13 ILE A 87 4.835 -3.608 -13.202 1.00 1.22 H new ATOM 1443 N ASP A 88 8.343 -4.256 -8.414 1.00 24.02 N ATOM 1444 CA ASP A 88 8.802 -5.182 -7.369 1.00 32.01 C ATOM 1445 C ASP A 88 9.114 -4.422 -6.053 1.00 75.53 C ATOM 1446 O ASP A 88 8.984 -4.984 -4.960 1.00 52.11 O ATOM 1447 CB ASP A 88 10.056 -5.914 -7.886 1.00 10.41 C ATOM 1448 CG ASP A 88 10.570 -7.012 -6.950 1.00 31.44 C ATOM 1449 OD1 ASP A 88 10.014 -8.123 -6.977 1.00 53.24 O ATOM 1450 OD2 ASP A 88 11.536 -6.768 -6.188 1.00 31.40 O ATOM 0 H ASP A 88 9.010 -4.158 -9.179 1.00 24.02 H new ATOM 0 HA ASP A 88 8.016 -5.904 -7.147 1.00 32.01 H new ATOM 0 HB2 ASP A 88 9.831 -6.355 -8.857 1.00 10.41 H new ATOM 0 HB3 ASP A 88 10.850 -5.184 -8.043 1.00 10.41 H new ATOM 1455 N LYS A 89 9.537 -3.141 -6.180 1.00 32.34 N ATOM 1456 CA LYS A 89 9.760 -2.257 -5.019 1.00 41.42 C ATOM 1457 C LYS A 89 8.421 -1.982 -4.298 1.00 41.31 C ATOM 1458 O LYS A 89 8.317 -2.175 -3.090 1.00 72.44 O ATOM 1459 CB LYS A 89 10.421 -0.927 -5.462 1.00 42.22 C ATOM 1460 CG LYS A 89 10.810 0.008 -4.293 1.00 64.25 C ATOM 1461 CD LYS A 89 11.548 1.277 -4.769 1.00 52.30 C ATOM 1462 CE LYS A 89 11.893 2.225 -3.614 1.00 52.53 C ATOM 1463 NZ LYS A 89 12.639 3.417 -4.081 1.00 4.44 N ATOM 0 H LYS A 89 9.730 -2.700 -7.079 1.00 32.34 H new ATOM 0 HA LYS A 89 10.436 -2.757 -4.326 1.00 41.42 H new ATOM 0 HB2 LYS A 89 11.315 -1.154 -6.043 1.00 42.22 H new ATOM 0 HB3 LYS A 89 9.736 -0.397 -6.124 1.00 42.22 H new ATOM 0 HG2 LYS A 89 9.911 0.297 -3.749 1.00 64.25 H new ATOM 0 HG3 LYS A 89 11.444 -0.536 -3.593 1.00 64.25 H new ATOM 0 HD2 LYS A 89 12.464 0.989 -5.284 1.00 52.30 H new ATOM 0 HD3 LYS A 89 10.927 1.804 -5.494 1.00 52.30 H new ATOM 0 HE2 LYS A 89 10.975 2.542 -3.118 1.00 52.53 H new ATOM 0 HE3 LYS A 89 12.488 1.692 -2.872 1.00 52.53 H new ATOM 0 HZ1 LYS A 89 12.853 4.032 -3.270 1.00 4.44 H new ATOM 0 HZ2 LYS A 89 13.527 3.116 -4.531 1.00 4.44 H new ATOM 0 HZ3 LYS A 89 12.061 3.940 -4.770 1.00 4.44 H new ATOM 1477 N VAL A 90 7.397 -1.578 -5.087 1.00 61.35 N ATOM 1478 CA VAL A 90 5.999 -1.375 -4.597 1.00 11.40 C ATOM 1479 C VAL A 90 5.469 -2.657 -3.907 1.00 32.43 C ATOM 1480 O VAL A 90 4.892 -2.607 -2.815 1.00 61.05 O ATOM 1481 CB VAL A 90 5.015 -1.016 -5.778 1.00 0.24 C ATOM 1482 CG1 VAL A 90 3.602 -0.656 -5.251 1.00 20.25 C ATOM 1483 CG2 VAL A 90 5.582 0.102 -6.677 1.00 72.34 C ATOM 0 H VAL A 90 7.510 -1.382 -6.082 1.00 61.35 H new ATOM 0 HA VAL A 90 6.033 -0.548 -3.888 1.00 11.40 H new ATOM 0 HB VAL A 90 4.918 -1.908 -6.396 1.00 0.24 H new ATOM 0 HG11 VAL A 90 2.951 -0.414 -6.091 1.00 20.25 H new ATOM 0 HG12 VAL A 90 3.190 -1.505 -4.705 1.00 20.25 H new ATOM 0 HG13 VAL A 90 3.670 0.205 -4.586 1.00 20.25 H new ATOM 0 HG21 VAL A 90 4.875 0.319 -7.477 1.00 72.34 H new ATOM 0 HG22 VAL A 90 5.744 1.001 -6.082 1.00 72.34 H new ATOM 0 HG23 VAL A 90 6.529 -0.223 -7.108 1.00 72.34 H new ATOM 1493 N LYS A 91 5.719 -3.797 -4.578 1.00 24.13 N ATOM 1494 CA LYS A 91 5.315 -5.140 -4.115 1.00 62.23 C ATOM 1495 C LYS A 91 5.894 -5.427 -2.706 1.00 10.01 C ATOM 1496 O LYS A 91 5.153 -5.748 -1.766 1.00 22.54 O ATOM 1497 CB LYS A 91 5.796 -6.230 -5.146 1.00 33.11 C ATOM 1498 CG LYS A 91 4.782 -7.362 -5.486 1.00 55.23 C ATOM 1499 CD LYS A 91 4.393 -8.282 -4.291 1.00 65.11 C ATOM 1500 CE LYS A 91 3.179 -7.773 -3.485 1.00 2.43 C ATOM 1501 NZ LYS A 91 2.924 -8.607 -2.288 1.00 41.54 N ATOM 0 H LYS A 91 6.214 -3.812 -5.470 1.00 24.13 H new ATOM 0 HA LYS A 91 4.228 -5.177 -4.048 1.00 62.23 H new ATOM 0 HB2 LYS A 91 6.068 -5.726 -6.073 1.00 33.11 H new ATOM 0 HB3 LYS A 91 6.704 -6.691 -4.756 1.00 33.11 H new ATOM 0 HG2 LYS A 91 3.875 -6.908 -5.885 1.00 55.23 H new ATOM 0 HG3 LYS A 91 5.204 -7.981 -6.278 1.00 55.23 H new ATOM 0 HD2 LYS A 91 4.174 -9.281 -4.669 1.00 65.11 H new ATOM 0 HD3 LYS A 91 5.249 -8.375 -3.622 1.00 65.11 H new ATOM 0 HE2 LYS A 91 3.353 -6.741 -3.179 1.00 2.43 H new ATOM 0 HE3 LYS A 91 2.295 -7.772 -4.122 1.00 2.43 H new ATOM 0 HZ1 LYS A 91 2.228 -8.134 -1.677 1.00 41.54 H new ATOM 0 HZ2 LYS A 91 2.553 -9.533 -2.583 1.00 41.54 H new ATOM 0 HZ3 LYS A 91 3.812 -8.741 -1.763 1.00 41.54 H new ATOM 1515 N LYS A 92 7.218 -5.219 -2.585 1.00 4.21 N ATOM 1516 CA LYS A 92 7.986 -5.490 -1.359 1.00 51.20 C ATOM 1517 C LYS A 92 7.528 -4.603 -0.175 1.00 21.31 C ATOM 1518 O LYS A 92 7.542 -5.039 0.978 1.00 0.44 O ATOM 1519 CB LYS A 92 9.494 -5.271 -1.631 1.00 24.33 C ATOM 1520 CG LYS A 92 10.410 -5.661 -0.454 1.00 60.53 C ATOM 1521 CD LYS A 92 10.399 -7.185 -0.190 1.00 52.33 C ATOM 1522 CE LYS A 92 11.314 -7.600 0.973 1.00 44.32 C ATOM 1523 NZ LYS A 92 11.375 -9.076 1.129 1.00 24.41 N ATOM 0 H LYS A 92 7.790 -4.853 -3.346 1.00 4.21 H new ATOM 0 HA LYS A 92 7.805 -6.527 -1.077 1.00 51.20 H new ATOM 0 HB2 LYS A 92 9.782 -5.850 -2.508 1.00 24.33 H new ATOM 0 HB3 LYS A 92 9.660 -4.221 -1.874 1.00 24.33 H new ATOM 0 HG2 LYS A 92 11.429 -5.337 -0.665 1.00 60.53 H new ATOM 0 HG3 LYS A 92 10.088 -5.135 0.445 1.00 60.53 H new ATOM 0 HD2 LYS A 92 9.379 -7.503 0.026 1.00 52.33 H new ATOM 0 HD3 LYS A 92 10.711 -7.707 -1.095 1.00 52.33 H new ATOM 0 HE2 LYS A 92 12.318 -7.211 0.802 1.00 44.32 H new ATOM 0 HE3 LYS A 92 10.952 -7.152 1.898 1.00 44.32 H new ATOM 0 HZ1 LYS A 92 12.002 -9.316 1.923 1.00 24.41 H new ATOM 0 HZ2 LYS A 92 10.421 -9.445 1.317 1.00 24.41 H new ATOM 0 HZ3 LYS A 92 11.745 -9.502 0.255 1.00 24.41 H new ATOM 1537 N LYS A 93 7.141 -3.358 -0.486 1.00 20.15 N ATOM 1538 CA LYS A 93 6.606 -2.402 0.509 1.00 55.33 C ATOM 1539 C LYS A 93 5.308 -2.914 1.182 1.00 32.31 C ATOM 1540 O LYS A 93 5.162 -2.797 2.394 1.00 42.45 O ATOM 1541 CB LYS A 93 6.339 -1.021 -0.129 1.00 54.35 C ATOM 1542 CG LYS A 93 7.573 -0.293 -0.705 1.00 61.03 C ATOM 1543 CD LYS A 93 8.699 -0.075 0.329 1.00 73.34 C ATOM 1544 CE LYS A 93 9.910 0.656 -0.276 1.00 4.50 C ATOM 1545 NZ LYS A 93 11.027 0.769 0.690 1.00 53.41 N ATOM 0 H LYS A 93 7.188 -2.980 -1.432 1.00 20.15 H new ATOM 0 HA LYS A 93 7.373 -2.305 1.278 1.00 55.33 H new ATOM 0 HB2 LYS A 93 5.610 -1.147 -0.929 1.00 54.35 H new ATOM 0 HB3 LYS A 93 5.880 -0.378 0.622 1.00 54.35 H new ATOM 0 HG2 LYS A 93 7.966 -0.869 -1.543 1.00 61.03 H new ATOM 0 HG3 LYS A 93 7.262 0.674 -1.101 1.00 61.03 H new ATOM 0 HD2 LYS A 93 8.312 0.501 1.169 1.00 73.34 H new ATOM 0 HD3 LYS A 93 9.019 -1.039 0.724 1.00 73.34 H new ATOM 0 HE2 LYS A 93 10.250 0.122 -1.163 1.00 4.50 H new ATOM 0 HE3 LYS A 93 9.608 1.652 -0.600 1.00 4.50 H new ATOM 0 HZ1 LYS A 93 11.823 1.268 0.243 1.00 53.41 H new ATOM 0 HZ2 LYS A 93 10.711 1.301 1.526 1.00 53.41 H new ATOM 0 HZ3 LYS A 93 11.333 -0.182 0.980 1.00 53.41 H new ATOM 1559 N LEU A 94 4.376 -3.475 0.386 1.00 32.11 N ATOM 1560 CA LEU A 94 3.102 -4.041 0.914 1.00 32.13 C ATOM 1561 C LEU A 94 3.338 -5.351 1.706 1.00 34.24 C ATOM 1562 O LEU A 94 2.615 -5.649 2.674 1.00 31.34 O ATOM 1563 CB LEU A 94 2.066 -4.249 -0.225 1.00 43.40 C ATOM 1564 CG LEU A 94 1.261 -2.988 -0.671 1.00 64.24 C ATOM 1565 CD1 LEU A 94 0.489 -2.385 0.516 1.00 32.45 C ATOM 1566 CD2 LEU A 94 2.160 -1.935 -1.352 1.00 51.33 C ATOM 0 H LEU A 94 4.475 -3.552 -0.626 1.00 32.11 H new ATOM 0 HA LEU A 94 2.689 -3.313 1.613 1.00 32.13 H new ATOM 0 HB2 LEU A 94 2.590 -4.645 -1.095 1.00 43.40 H new ATOM 0 HB3 LEU A 94 1.356 -5.012 0.094 1.00 43.40 H new ATOM 0 HG LEU A 94 0.537 -3.312 -1.418 1.00 64.24 H new ATOM 0 HD11 LEU A 94 -0.065 -1.507 0.182 1.00 32.45 H new ATOM 0 HD12 LEU A 94 -0.207 -3.125 0.911 1.00 32.45 H new ATOM 0 HD13 LEU A 94 1.192 -2.095 1.297 1.00 32.45 H new ATOM 0 HD21 LEU A 94 1.556 -1.076 -1.645 1.00 51.33 H new ATOM 0 HD22 LEU A 94 2.935 -1.614 -0.656 1.00 51.33 H new ATOM 0 HD23 LEU A 94 2.625 -2.371 -2.237 1.00 51.33 H new ATOM 1578 N ASP A 95 4.356 -6.122 1.288 1.00 1.11 N ATOM 1579 CA ASP A 95 4.879 -7.261 2.073 1.00 61.14 C ATOM 1580 C ASP A 95 5.458 -6.776 3.423 1.00 3.32 C ATOM 1581 O ASP A 95 5.297 -7.430 4.449 1.00 42.34 O ATOM 1582 CB ASP A 95 5.969 -8.004 1.260 1.00 11.43 C ATOM 1583 CG ASP A 95 5.383 -8.828 0.103 1.00 30.30 C ATOM 1584 OD1 ASP A 95 4.647 -9.801 0.365 1.00 65.25 O ATOM 1585 OD2 ASP A 95 5.631 -8.498 -1.071 1.00 45.52 O ATOM 0 H ASP A 95 4.840 -5.977 0.402 1.00 1.11 H new ATOM 0 HA ASP A 95 4.057 -7.947 2.280 1.00 61.14 H new ATOM 0 HB2 ASP A 95 6.678 -7.278 0.862 1.00 11.43 H new ATOM 0 HB3 ASP A 95 6.527 -8.663 1.925 1.00 11.43 H new ATOM 1590 N MET A 96 6.113 -5.604 3.389 1.00 43.22 N ATOM 1591 CA MET A 96 6.695 -4.944 4.577 1.00 54.03 C ATOM 1592 C MET A 96 5.604 -4.394 5.537 1.00 32.14 C ATOM 1593 O MET A 96 5.827 -4.331 6.748 1.00 51.24 O ATOM 1594 CB MET A 96 7.681 -3.832 4.112 1.00 2.24 C ATOM 1595 CG MET A 96 8.128 -2.836 5.197 1.00 30.31 C ATOM 1596 SD MET A 96 9.437 -1.720 4.646 1.00 53.23 S ATOM 1597 CE MET A 96 9.822 -0.828 6.153 1.00 4.43 C ATOM 0 H MET A 96 6.257 -5.079 2.526 1.00 43.22 H new ATOM 0 HA MET A 96 7.247 -5.685 5.155 1.00 54.03 H new ATOM 0 HB2 MET A 96 8.568 -4.310 3.697 1.00 2.24 H new ATOM 0 HB3 MET A 96 7.212 -3.272 3.303 1.00 2.24 H new ATOM 0 HG2 MET A 96 7.268 -2.247 5.516 1.00 30.31 H new ATOM 0 HG3 MET A 96 8.476 -3.391 6.069 1.00 30.31 H new ATOM 0 HE1 MET A 96 10.615 -0.106 5.956 1.00 4.43 H new ATOM 0 HE2 MET A 96 8.933 -0.304 6.503 1.00 4.43 H new ATOM 0 HE3 MET A 96 10.153 -1.531 6.917 1.00 4.43 H new ATOM 1607 N VAL A 97 4.424 -4.020 4.999 1.00 12.21 N ATOM 1608 CA VAL A 97 3.257 -3.617 5.839 1.00 14.22 C ATOM 1609 C VAL A 97 2.740 -4.841 6.647 1.00 10.42 C ATOM 1610 O VAL A 97 2.377 -4.733 7.829 1.00 30.44 O ATOM 1611 CB VAL A 97 2.079 -3.009 4.983 1.00 5.14 C ATOM 1612 CG1 VAL A 97 0.981 -2.390 5.890 1.00 72.31 C ATOM 1613 CG2 VAL A 97 2.602 -1.983 3.949 1.00 3.22 C ATOM 0 H VAL A 97 4.246 -3.986 3.995 1.00 12.21 H new ATOM 0 HA VAL A 97 3.602 -2.838 6.518 1.00 14.22 H new ATOM 0 HB VAL A 97 1.622 -3.828 4.428 1.00 5.14 H new ATOM 0 HG11 VAL A 97 0.184 -1.980 5.269 1.00 72.31 H new ATOM 0 HG12 VAL A 97 0.572 -3.161 6.543 1.00 72.31 H new ATOM 0 HG13 VAL A 97 1.415 -1.594 6.495 1.00 72.31 H new ATOM 0 HG21 VAL A 97 1.765 -1.584 3.377 1.00 3.22 H new ATOM 0 HG22 VAL A 97 3.108 -1.169 4.468 1.00 3.22 H new ATOM 0 HG23 VAL A 97 3.303 -2.473 3.273 1.00 3.22 H new ATOM 1623 N THR A 98 2.750 -6.013 5.980 1.00 44.31 N ATOM 1624 CA THR A 98 2.452 -7.319 6.619 1.00 45.43 C ATOM 1625 C THR A 98 3.539 -7.680 7.670 1.00 34.32 C ATOM 1626 O THR A 98 3.221 -8.159 8.754 1.00 13.40 O ATOM 1627 CB THR A 98 2.347 -8.466 5.549 1.00 72.15 C ATOM 1628 OG1 THR A 98 1.376 -8.118 4.544 1.00 52.51 O ATOM 1629 CG2 THR A 98 1.959 -9.826 6.175 1.00 12.21 C ATOM 0 H THR A 98 2.964 -6.085 4.985 1.00 44.31 H new ATOM 0 HA THR A 98 1.489 -7.224 7.122 1.00 45.43 H new ATOM 0 HB THR A 98 3.336 -8.572 5.103 1.00 72.15 H new ATOM 0 HG1 THR A 98 1.727 -7.392 3.988 1.00 52.51 H new ATOM 0 HG21 THR A 98 1.900 -10.583 5.393 1.00 12.21 H new ATOM 0 HG22 THR A 98 2.712 -10.118 6.907 1.00 12.21 H new ATOM 0 HG23 THR A 98 0.991 -9.737 6.667 1.00 12.21 H new ATOM 1637 N ARG A 99 4.824 -7.409 7.330 1.00 64.34 N ATOM 1638 CA ARG A 99 5.983 -7.612 8.247 1.00 24.44 C ATOM 1639 C ARG A 99 5.888 -6.710 9.506 1.00 42.22 C ATOM 1640 O ARG A 99 6.302 -7.107 10.592 1.00 53.14 O ATOM 1641 CB ARG A 99 7.317 -7.293 7.511 1.00 24.41 C ATOM 1642 CG ARG A 99 7.715 -8.243 6.343 1.00 72.10 C ATOM 1643 CD ARG A 99 8.478 -9.506 6.802 1.00 61.02 C ATOM 1644 NE ARG A 99 7.644 -10.440 7.576 1.00 43.05 N ATOM 1645 CZ ARG A 99 7.834 -10.788 8.834 1.00 2.54 C ATOM 1646 NH1 ARG A 99 8.721 -10.207 9.585 1.00 11.10 N ATOM 1647 NH2 ARG A 99 7.088 -11.682 9.350 1.00 21.34 N ATOM 0 H ARG A 99 5.090 -7.044 6.415 1.00 64.34 H new ATOM 0 HA ARG A 99 5.962 -8.656 8.560 1.00 24.44 H new ATOM 0 HB2 ARG A 99 7.255 -6.278 7.118 1.00 24.41 H new ATOM 0 HB3 ARG A 99 8.122 -7.302 8.246 1.00 24.41 H new ATOM 0 HG2 ARG A 99 6.814 -8.547 5.811 1.00 72.10 H new ATOM 0 HG3 ARG A 99 8.334 -7.693 5.634 1.00 72.10 H new ATOM 0 HD2 ARG A 99 8.873 -10.022 5.927 1.00 61.02 H new ATOM 0 HD3 ARG A 99 9.333 -9.206 7.408 1.00 61.02 H new ATOM 0 HE ARG A 99 6.846 -10.856 7.096 1.00 43.05 H new ATOM 0 HH11 ARG A 99 9.297 -9.456 9.206 1.00 11.10 H new ATOM 0 HH12 ARG A 99 8.841 -10.502 10.554 1.00 11.10 H new ATOM 0 HH21 ARG A 99 6.355 -12.119 8.792 1.00 21.34 H new ATOM 0 HH22 ARG A 99 7.224 -11.961 10.322 1.00 21.34 H new ATOM 1661 N GLU A 100 5.356 -5.490 9.319 1.00 3.52 N ATOM 1662 CA GLU A 100 5.233 -4.464 10.382 1.00 25.42 C ATOM 1663 C GLU A 100 4.224 -4.935 11.470 1.00 41.13 C ATOM 1664 O GLU A 100 4.481 -4.819 12.678 1.00 33.04 O ATOM 1665 CB GLU A 100 4.798 -3.106 9.724 1.00 31.52 C ATOM 1666 CG GLU A 100 5.194 -1.807 10.478 1.00 22.12 C ATOM 1667 CD GLU A 100 4.446 -1.579 11.803 1.00 72.25 C ATOM 1668 OE1 GLU A 100 3.236 -1.259 11.763 1.00 74.33 O ATOM 1669 OE2 GLU A 100 5.052 -1.738 12.893 1.00 14.35 O ATOM 0 H GLU A 100 4.994 -5.180 8.417 1.00 3.52 H new ATOM 0 HA GLU A 100 6.191 -4.316 10.880 1.00 25.42 H new ATOM 0 HB2 GLU A 100 5.225 -3.061 8.722 1.00 31.52 H new ATOM 0 HB3 GLU A 100 3.714 -3.116 9.609 1.00 31.52 H new ATOM 0 HG2 GLU A 100 6.265 -1.833 10.681 1.00 22.12 H new ATOM 0 HG3 GLU A 100 5.014 -0.954 9.824 1.00 22.12 H new ATOM 1676 N LEU A 101 3.083 -5.488 11.014 1.00 11.34 N ATOM 1677 CA LEU A 101 2.048 -6.064 11.902 1.00 53.11 C ATOM 1678 C LEU A 101 2.523 -7.408 12.520 1.00 55.11 C ATOM 1679 O LEU A 101 2.318 -7.660 13.710 1.00 13.33 O ATOM 1680 CB LEU A 101 0.718 -6.271 11.124 1.00 60.15 C ATOM 1681 CG LEU A 101 -0.486 -6.838 11.953 1.00 31.42 C ATOM 1682 CD1 LEU A 101 -0.864 -5.906 13.125 1.00 22.43 C ATOM 1683 CD2 LEU A 101 -1.703 -7.119 11.045 1.00 65.33 C ATOM 0 H LEU A 101 2.851 -5.549 10.023 1.00 11.34 H new ATOM 0 HA LEU A 101 1.875 -5.359 12.715 1.00 53.11 H new ATOM 0 HB2 LEU A 101 0.419 -5.314 10.695 1.00 60.15 H new ATOM 0 HB3 LEU A 101 0.910 -6.947 10.291 1.00 60.15 H new ATOM 0 HG LEU A 101 -0.165 -7.786 12.386 1.00 31.42 H new ATOM 0 HD11 LEU A 101 -1.702 -6.334 13.675 1.00 22.43 H new ATOM 0 HD12 LEU A 101 -0.010 -5.797 13.793 1.00 22.43 H new ATOM 0 HD13 LEU A 101 -1.147 -4.928 12.736 1.00 22.43 H new ATOM 0 HD21 LEU A 101 -2.523 -7.511 11.647 1.00 65.33 H new ATOM 0 HD22 LEU A 101 -2.018 -6.194 10.562 1.00 65.33 H new ATOM 0 HD23 LEU A 101 -1.429 -7.850 10.285 1.00 65.33 H new ATOM 1695 N ASP A 102 3.174 -8.254 11.693 1.00 23.23 N ATOM 1696 CA ASP A 102 3.670 -9.590 12.118 1.00 30.45 C ATOM 1697 C ASP A 102 4.833 -9.466 13.133 1.00 52.42 C ATOM 1698 O ASP A 102 5.060 -10.368 13.929 1.00 63.33 O ATOM 1699 CB ASP A 102 4.106 -10.438 10.895 1.00 71.31 C ATOM 1700 CG ASP A 102 4.349 -11.924 11.250 1.00 4.15 C ATOM 1701 OD1 ASP A 102 3.374 -12.700 11.296 1.00 24.03 O ATOM 1702 OD2 ASP A 102 5.511 -12.321 11.495 1.00 61.44 O ATOM 0 H ASP A 102 3.372 -8.036 10.716 1.00 23.23 H new ATOM 0 HA ASP A 102 2.844 -10.100 12.613 1.00 30.45 H new ATOM 0 HB2 ASP A 102 3.339 -10.375 10.123 1.00 71.31 H new ATOM 0 HB3 ASP A 102 5.018 -10.016 10.473 1.00 71.31 H new ATOM 1707 N LYS A 103 5.563 -8.342 13.084 1.00 63.05 N ATOM 1708 CA LYS A 103 6.611 -8.007 14.077 1.00 34.21 C ATOM 1709 C LYS A 103 6.022 -7.964 15.517 1.00 54.51 C ATOM 1710 O LYS A 103 6.676 -8.362 16.488 1.00 63.44 O ATOM 1711 CB LYS A 103 7.248 -6.639 13.712 1.00 70.01 C ATOM 1712 CG LYS A 103 8.479 -6.244 14.560 1.00 34.22 C ATOM 1713 CD LYS A 103 8.997 -4.822 14.231 1.00 3.20 C ATOM 1714 CE LYS A 103 10.273 -4.455 15.014 1.00 31.04 C ATOM 1715 NZ LYS A 103 10.668 -3.039 14.800 1.00 2.23 N ATOM 0 H LYS A 103 5.448 -7.635 12.357 1.00 63.05 H new ATOM 0 HA LYS A 103 7.377 -8.782 14.054 1.00 34.21 H new ATOM 0 HB2 LYS A 103 7.541 -6.660 12.662 1.00 70.01 H new ATOM 0 HB3 LYS A 103 6.490 -5.863 13.816 1.00 70.01 H new ATOM 0 HG2 LYS A 103 8.219 -6.297 15.617 1.00 34.22 H new ATOM 0 HG3 LYS A 103 9.278 -6.966 14.392 1.00 34.22 H new ATOM 0 HD2 LYS A 103 9.199 -4.752 13.162 1.00 3.20 H new ATOM 0 HD3 LYS A 103 8.217 -4.095 14.456 1.00 3.20 H new ATOM 0 HE2 LYS A 103 10.109 -4.629 16.077 1.00 31.04 H new ATOM 0 HE3 LYS A 103 11.088 -5.110 14.706 1.00 31.04 H new ATOM 0 HZ1 LYS A 103 11.530 -2.833 15.344 1.00 2.23 H new ATOM 0 HZ2 LYS A 103 10.850 -2.878 13.789 1.00 2.23 H new ATOM 0 HZ3 LYS A 103 9.901 -2.413 15.117 1.00 2.23 H new ATOM 1729 N LYS A 104 4.758 -7.499 15.611 1.00 44.51 N ATOM 1730 CA LYS A 104 4.010 -7.395 16.884 1.00 42.32 C ATOM 1731 C LYS A 104 3.472 -8.772 17.352 1.00 11.11 C ATOM 1732 O LYS A 104 3.314 -9.013 18.554 1.00 43.22 O ATOM 1733 CB LYS A 104 2.844 -6.401 16.721 1.00 73.03 C ATOM 1734 CG LYS A 104 3.284 -5.008 16.216 1.00 12.22 C ATOM 1735 CD LYS A 104 2.124 -4.000 16.229 1.00 74.33 C ATOM 1736 CE LYS A 104 2.474 -2.671 15.543 1.00 70.34 C ATOM 1737 NZ LYS A 104 2.710 -2.857 14.092 1.00 13.23 N ATOM 0 H LYS A 104 4.224 -7.183 14.801 1.00 44.51 H new ATOM 0 HA LYS A 104 4.699 -7.035 17.648 1.00 42.32 H new ATOM 0 HB2 LYS A 104 2.117 -6.818 16.024 1.00 73.03 H new ATOM 0 HB3 LYS A 104 2.338 -6.287 17.680 1.00 73.03 H new ATOM 0 HG2 LYS A 104 4.096 -4.635 16.841 1.00 12.22 H new ATOM 0 HG3 LYS A 104 3.676 -5.097 15.203 1.00 12.22 H new ATOM 0 HD2 LYS A 104 1.260 -4.442 15.732 1.00 74.33 H new ATOM 0 HD3 LYS A 104 1.832 -3.804 17.261 1.00 74.33 H new ATOM 0 HE2 LYS A 104 1.663 -1.958 15.693 1.00 70.34 H new ATOM 0 HE3 LYS A 104 3.364 -2.244 16.006 1.00 70.34 H new ATOM 0 HZ1 LYS A 104 3.667 -2.528 13.851 1.00 13.23 H new ATOM 0 HZ2 LYS A 104 2.620 -3.865 13.852 1.00 13.23 H new ATOM 0 HZ3 LYS A 104 2.009 -2.309 13.553 1.00 13.23 H new ATOM 1751 N VAL A 105 3.174 -9.656 16.379 1.00 62.24 N ATOM 1752 CA VAL A 105 2.678 -11.026 16.642 1.00 30.31 C ATOM 1753 C VAL A 105 3.869 -11.978 16.946 1.00 13.12 C ATOM 1754 O VAL A 105 4.012 -12.491 18.065 1.00 71.33 O ATOM 1755 CB VAL A 105 1.833 -11.567 15.421 1.00 51.24 C ATOM 1756 CG1 VAL A 105 1.272 -12.986 15.702 1.00 11.34 C ATOM 1757 CG2 VAL A 105 0.692 -10.580 15.047 1.00 5.13 C ATOM 0 H VAL A 105 3.270 -9.442 15.386 1.00 62.24 H new ATOM 0 HA VAL A 105 2.024 -10.992 17.513 1.00 30.31 H new ATOM 0 HB VAL A 105 2.505 -11.642 14.566 1.00 51.24 H new ATOM 0 HG11 VAL A 105 0.696 -13.327 14.841 1.00 11.34 H new ATOM 0 HG12 VAL A 105 2.098 -13.675 15.882 1.00 11.34 H new ATOM 0 HG13 VAL A 105 0.627 -12.955 16.580 1.00 11.34 H new ATOM 0 HG21 VAL A 105 0.128 -10.979 14.204 1.00 5.13 H new ATOM 0 HG22 VAL A 105 0.027 -10.452 15.901 1.00 5.13 H new ATOM 0 HG23 VAL A 105 1.120 -9.616 14.773 1.00 5.13 H new ATOM 1767 N SER A 106 4.718 -12.201 15.926 1.00 52.05 N ATOM 1768 CA SER A 106 5.989 -12.947 16.053 1.00 52.25 C ATOM 1769 C SER A 106 7.076 -12.074 16.727 1.00 75.24 C ATOM 1770 O SER A 106 7.900 -11.440 16.053 1.00 73.33 O ATOM 1771 CB SER A 106 6.472 -13.419 14.656 1.00 13.02 C ATOM 1772 OG SER A 106 5.477 -14.164 13.982 1.00 43.13 O ATOM 0 H SER A 106 4.541 -11.866 14.979 1.00 52.05 H new ATOM 0 HA SER A 106 5.813 -13.819 16.682 1.00 52.25 H new ATOM 0 HB2 SER A 106 6.748 -12.553 14.055 1.00 13.02 H new ATOM 0 HB3 SER A 106 7.369 -14.028 14.768 1.00 13.02 H new ATOM 0 HG SER A 106 5.284 -13.745 13.117 1.00 43.13 H new ATOM 1778 N GLY A 107 7.025 -12.009 18.068 1.00 62.13 N ATOM 1779 CA GLY A 107 8.028 -11.291 18.865 1.00 60.53 C ATOM 1780 C GLY A 107 9.221 -12.171 19.243 1.00 61.10 C ATOM 1781 O GLY A 107 9.612 -13.052 18.463 1.00 53.14 O ATOM 0 H GLY A 107 6.293 -12.450 18.624 1.00 62.13 H new ATOM 0 HA2 GLY A 107 8.383 -10.427 18.303 1.00 60.53 H new ATOM 0 HA3 GLY A 107 7.560 -10.910 19.773 1.00 60.53 H new ATOM 1785 N SER A 108 9.784 -11.934 20.451 1.00 0.53 N ATOM 1786 CA SER A 108 10.972 -12.662 20.978 1.00 71.02 C ATOM 1787 C SER A 108 12.143 -12.646 19.964 1.00 24.40 C ATOM 1788 O SER A 108 12.506 -13.686 19.398 1.00 70.45 O ATOM 1789 CB SER A 108 10.600 -14.108 21.414 1.00 12.24 C ATOM 1790 OG SER A 108 9.617 -14.112 22.446 1.00 30.45 O ATOM 0 H SER A 108 9.427 -11.228 21.095 1.00 0.53 H new ATOM 0 HA SER A 108 11.315 -12.135 21.868 1.00 71.02 H new ATOM 0 HB2 SER A 108 10.226 -14.663 20.553 1.00 12.24 H new ATOM 0 HB3 SER A 108 11.495 -14.625 21.762 1.00 12.24 H new ATOM 0 HG SER A 108 9.406 -15.037 22.694 1.00 30.45 H new ATOM 1796 N TYR A 109 12.692 -11.427 19.729 1.00 71.14 N ATOM 1797 CA TYR A 109 13.731 -11.149 18.700 1.00 32.23 C ATOM 1798 C TYR A 109 13.208 -11.476 17.270 1.00 62.31 C ATOM 1799 O TYR A 109 12.731 -10.590 16.554 1.00 75.54 O ATOM 1800 CB TYR A 109 15.066 -11.899 19.007 1.00 11.02 C ATOM 1801 CG TYR A 109 15.702 -11.535 20.359 1.00 62.42 C ATOM 1802 CD1 TYR A 109 16.592 -10.462 20.476 1.00 72.32 C ATOM 1803 CD2 TYR A 109 15.401 -12.255 21.519 1.00 53.22 C ATOM 1804 CE1 TYR A 109 17.159 -10.131 21.692 1.00 42.31 C ATOM 1805 CE2 TYR A 109 15.965 -11.924 22.737 1.00 12.33 C ATOM 1806 CZ TYR A 109 16.841 -10.860 22.819 1.00 1.21 C ATOM 1807 OH TYR A 109 17.404 -10.524 24.035 1.00 12.54 O ATOM 0 H TYR A 109 12.422 -10.596 20.256 1.00 71.14 H new ATOM 0 HA TYR A 109 13.949 -10.082 18.737 1.00 32.23 H new ATOM 0 HB2 TYR A 109 14.879 -12.973 18.984 1.00 11.02 H new ATOM 0 HB3 TYR A 109 15.781 -11.683 18.213 1.00 11.02 H new ATOM 0 HD1 TYR A 109 16.841 -9.882 19.600 1.00 72.32 H new ATOM 0 HD2 TYR A 109 14.714 -13.086 21.462 1.00 53.22 H new ATOM 0 HE1 TYR A 109 17.850 -9.303 21.760 1.00 42.31 H new ATOM 0 HE2 TYR A 109 15.721 -12.495 23.621 1.00 12.33 H new ATOM 0 HH TYR A 109 17.076 -11.135 24.727 1.00 12.54 H new ATOM 1817 N LEU A 110 13.277 -12.770 16.895 1.00 4.33 N ATOM 1818 CA LEU A 110 12.781 -13.291 15.605 1.00 40.11 C ATOM 1819 C LEU A 110 12.492 -14.812 15.693 1.00 54.51 C ATOM 1820 O LEU A 110 12.918 -15.484 16.643 1.00 52.22 O ATOM 1821 CB LEU A 110 13.770 -12.937 14.436 1.00 20.20 C ATOM 1822 CG LEU A 110 15.318 -13.070 14.713 1.00 51.24 C ATOM 1823 CD1 LEU A 110 15.777 -14.526 14.962 1.00 1.10 C ATOM 1824 CD2 LEU A 110 16.139 -12.422 13.571 1.00 53.31 C ATOM 0 H LEU A 110 13.685 -13.492 17.489 1.00 4.33 H new ATOM 0 HA LEU A 110 11.834 -12.801 15.378 1.00 40.11 H new ATOM 0 HB2 LEU A 110 13.526 -13.575 13.587 1.00 20.20 H new ATOM 0 HB3 LEU A 110 13.572 -11.910 14.130 1.00 20.20 H new ATOM 0 HG LEU A 110 15.508 -12.529 15.640 1.00 51.24 H new ATOM 0 HD11 LEU A 110 16.851 -14.543 15.145 1.00 1.10 H new ATOM 0 HD12 LEU A 110 15.255 -14.929 15.830 1.00 1.10 H new ATOM 0 HD13 LEU A 110 15.549 -15.134 14.087 1.00 1.10 H new ATOM 0 HD21 LEU A 110 17.203 -12.526 13.784 1.00 53.31 H new ATOM 0 HD22 LEU A 110 15.907 -12.919 12.629 1.00 53.31 H new ATOM 0 HD23 LEU A 110 15.886 -11.365 13.495 1.00 53.31 H new ATOM 1836 N VAL A 111 11.752 -15.340 14.706 1.00 52.22 N ATOM 1837 CA VAL A 111 11.386 -16.779 14.642 1.00 40.22 C ATOM 1838 C VAL A 111 12.551 -17.645 14.072 1.00 23.25 C ATOM 1839 O VAL A 111 13.337 -17.150 13.252 1.00 3.31 O ATOM 1840 CB VAL A 111 10.074 -16.985 13.785 1.00 34.53 C ATOM 1841 CG1 VAL A 111 8.850 -16.362 14.504 1.00 22.44 C ATOM 1842 CG2 VAL A 111 10.233 -16.406 12.351 1.00 34.31 C ATOM 0 H VAL A 111 11.387 -14.790 13.928 1.00 52.22 H new ATOM 0 HA VAL A 111 11.193 -17.112 15.662 1.00 40.22 H new ATOM 0 HB VAL A 111 9.905 -18.057 13.686 1.00 34.53 H new ATOM 0 HG11 VAL A 111 7.956 -16.514 13.899 1.00 22.44 H new ATOM 0 HG12 VAL A 111 8.716 -16.840 15.475 1.00 22.44 H new ATOM 0 HG13 VAL A 111 9.016 -15.294 14.645 1.00 22.44 H new ATOM 0 HG21 VAL A 111 9.312 -16.565 11.790 1.00 34.31 H new ATOM 0 HG22 VAL A 111 10.441 -15.338 12.411 1.00 34.31 H new ATOM 0 HG23 VAL A 111 11.057 -16.908 11.845 1.00 34.31 H new ATOM 1852 N PRO A 112 12.702 -18.945 14.525 1.00 1.02 N ATOM 1853 CA PRO A 112 13.727 -19.889 13.979 1.00 14.53 C ATOM 1854 C PRO A 112 13.638 -20.061 12.436 1.00 73.11 C ATOM 1855 O PRO A 112 12.723 -20.714 11.922 1.00 31.13 O ATOM 1856 CB PRO A 112 13.418 -21.224 14.715 1.00 13.22 C ATOM 1857 CG PRO A 112 12.752 -20.799 15.988 1.00 21.43 C ATOM 1858 CD PRO A 112 11.924 -19.581 15.628 1.00 33.14 C ATOM 0 HA PRO A 112 14.741 -19.525 14.145 1.00 14.53 H new ATOM 0 HB2 PRO A 112 12.767 -21.865 14.120 1.00 13.22 H new ATOM 0 HB3 PRO A 112 14.329 -21.790 14.912 1.00 13.22 H new ATOM 0 HG2 PRO A 112 12.124 -21.596 16.387 1.00 21.43 H new ATOM 0 HG3 PRO A 112 13.489 -20.559 16.755 1.00 21.43 H new ATOM 0 HD2 PRO A 112 10.921 -19.859 15.303 1.00 33.14 H new ATOM 0 HD3 PRO A 112 11.809 -18.908 16.478 1.00 33.14 H new ATOM 1866 N ARG A 113 14.597 -19.447 11.720 1.00 24.24 N ATOM 1867 CA ARG A 113 14.614 -19.396 10.240 1.00 3.41 C ATOM 1868 C ARG A 113 16.073 -19.140 9.757 1.00 11.32 C ATOM 1869 O ARG A 113 16.677 -20.040 9.125 1.00 38.25 O ATOM 1870 CB ARG A 113 13.619 -18.291 9.742 1.00 62.14 C ATOM 1871 CG ARG A 113 13.188 -18.345 8.240 1.00 62.23 C ATOM 1872 CD ARG A 113 14.123 -17.573 7.264 1.00 1.45 C ATOM 1873 NE ARG A 113 15.333 -18.328 6.883 1.00 14.22 N ATOM 1874 CZ ARG A 113 16.418 -17.815 6.335 1.00 61.13 C ATOM 1875 NH1 ARG A 113 16.523 -16.542 6.103 1.00 51.24 N ATOM 1876 NH2 ARG A 113 17.393 -18.591 6.017 1.00 23.44 N ATOM 1877 OXT ARG A 113 16.615 -18.044 10.036 1.00 38.25 O ATOM 0 H ARG A 113 15.388 -18.968 12.151 1.00 24.24 H new ATOM 0 HA ARG A 113 14.284 -20.345 9.817 1.00 3.41 H new ATOM 0 HB2 ARG A 113 12.719 -18.346 10.354 1.00 62.14 H new ATOM 0 HB3 ARG A 113 14.073 -17.318 9.929 1.00 62.14 H new ATOM 0 HG2 ARG A 113 13.142 -19.388 7.927 1.00 62.23 H new ATOM 0 HG3 ARG A 113 12.180 -17.940 8.151 1.00 62.23 H new ATOM 0 HD2 ARG A 113 13.564 -17.320 6.363 1.00 1.45 H new ATOM 0 HD3 ARG A 113 14.422 -16.633 7.728 1.00 1.45 H new ATOM 0 HE ARG A 113 15.330 -19.333 7.059 1.00 14.22 H new ATOM 0 HH11 ARG A 113 15.756 -15.914 6.345 1.00 51.24 H new ATOM 0 HH12 ARG A 113 17.372 -16.169 5.678 1.00 51.24 H new ATOM 0 HH21 ARG A 113 17.323 -19.594 6.189 1.00 23.44 H new ATOM 0 HH22 ARG A 113 18.236 -18.203 5.593 1.00 23.44 H new TER 1891 ARG A 113