USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 863 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 98 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 1.2: A 101 ASN : amide:sc= -0.0913 K(o=-0.091,f=-2.2!) USER MOD Set 2.1: A 7 TYR OH : rot -32:sc= 0.126 USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0.19 USER MOD Set 3.1: A 23 MET CE :methyl 180:sc= -0.334 (180deg=0) USER MOD Set 3.2: A 88 MET CE :methyl -162:sc= -4.04! (180deg=-6.09!) USER MOD Single : A 1 MET CE :methyl 174:sc= -9.14! (180deg=-9.53!) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0127 (180deg=-0.0288) USER MOD Single : A 2 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 4 CYS SG : rot 180:sc= -1.97! USER MOD Single : A 6 MET CE :methyl -175:sc= 0 (180deg=-0.0489) USER MOD Single : A 8 ASN : amide:sc= -4.09! C(o=-4.1!,f=-4.3!) USER MOD Single : A 10 SER OG : rot 105:sc= -0.409 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.025) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -74:sc= 1.03 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.762 USER MOD Single : A 40 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.72) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -115:sc= -2.62! (180deg=-8.05!) USER MOD Single : A 46 MET CE :methyl -167:sc= -0.0014 (180deg=-0.193) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 24:sc= 1.55 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -58:sc= -1 USER MOD Single : A 71 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.33) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -148:sc= -3.22 (180deg=-4.34!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -135:sc= 0.14 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0387) USER MOD Single : A 95 THR OG1 : rot -79:sc= 1.56 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -131:sc= -0.0734 (180deg=-1.87!) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc=-0.00538 (180deg=-0.149) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.189 -0.923 -0.181 1.00 24.22 N ATOM 2 CA MET A 1 2.135 -0.204 -1.027 1.00 31.21 C ATOM 3 C MET A 1 3.491 -0.903 -1.043 1.00 34.11 C ATOM 4 O MET A 1 3.957 -1.400 -0.017 1.00 43.11 O ATOM 5 CB MET A 1 2.296 1.236 -0.538 1.00 4.41 C ATOM 6 CG MET A 1 2.816 1.340 0.887 1.00 62.12 C ATOM 7 SD MET A 1 4.130 2.563 1.060 1.00 55.22 S ATOM 8 CE MET A 1 5.292 1.990 -0.176 1.00 74.55 C ATOM 0 H1 MET A 1 0.701 -0.250 0.444 1.00 24.22 H new ATOM 0 H2 MET A 1 0.490 -1.410 -0.778 1.00 24.22 H new ATOM 0 H3 MET A 1 1.700 -1.622 0.395 1.00 24.22 H new ATOM 0 HA MET A 1 1.740 -0.193 -2.043 1.00 31.21 H new ATOM 0 HB2 MET A 1 2.979 1.763 -1.204 1.00 4.41 H new ATOM 0 HB3 MET A 1 1.333 1.743 -0.602 1.00 4.41 H new ATOM 0 HG2 MET A 1 1.993 1.601 1.552 1.00 62.12 H new ATOM 0 HG3 MET A 1 3.187 0.366 1.206 1.00 62.12 H new ATOM 0 HE1 MET A 1 6.111 2.704 -0.265 1.00 74.55 H new ATOM 0 HE2 MET A 1 5.688 1.019 0.120 1.00 74.55 H new ATOM 0 HE3 MET A 1 4.785 1.898 -1.137 1.00 74.55 H new ATOM 18 N THR A 2 4.120 -0.939 -2.214 1.00 15.23 N ATOM 19 CA THR A 2 5.421 -1.578 -2.363 1.00 53.02 C ATOM 20 C THR A 2 6.523 -0.543 -2.553 1.00 43.33 C ATOM 21 O THR A 2 6.412 0.351 -3.394 1.00 30.21 O ATOM 22 CB THR A 2 5.435 -2.551 -3.557 1.00 74.21 C ATOM 23 OG1 THR A 2 4.145 -3.154 -3.713 1.00 22.34 O ATOM 24 CG2 THR A 2 6.486 -3.633 -3.361 1.00 72.21 C ATOM 0 H THR A 2 3.749 -0.533 -3.073 1.00 15.23 H new ATOM 0 HA THR A 2 5.606 -2.137 -1.446 1.00 53.02 H new ATOM 0 HB THR A 2 5.682 -1.985 -4.455 1.00 74.21 H new ATOM 0 HG1 THR A 2 3.549 -2.535 -4.184 1.00 22.34 H new ATOM 0 HG21 THR A 2 6.477 -4.308 -4.217 1.00 72.21 H new ATOM 0 HG22 THR A 2 7.470 -3.173 -3.272 1.00 72.21 H new ATOM 0 HG23 THR A 2 6.265 -4.195 -2.453 1.00 72.21 H new ATOM 32 N LEU A 3 7.588 -0.668 -1.769 1.00 32.34 N ATOM 33 CA LEU A 3 8.713 0.257 -1.851 1.00 54.01 C ATOM 34 C LEU A 3 9.996 -0.478 -2.224 1.00 40.01 C ATOM 35 O LEU A 3 10.403 -1.422 -1.545 1.00 15.52 O ATOM 36 CB LEU A 3 8.898 0.986 -0.519 1.00 55.11 C ATOM 37 CG LEU A 3 8.964 2.512 -0.593 1.00 34.13 C ATOM 38 CD1 LEU A 3 7.936 3.044 -1.580 1.00 23.21 C ATOM 39 CD2 LEU A 3 8.748 3.122 0.785 1.00 41.13 C ATOM 0 H LEU A 3 7.696 -1.402 -1.069 1.00 32.34 H new ATOM 0 HA LEU A 3 8.495 0.987 -2.630 1.00 54.01 H new ATOM 0 HB2 LEU A 3 8.076 0.709 0.141 1.00 55.11 H new ATOM 0 HB3 LEU A 3 9.815 0.625 -0.054 1.00 55.11 H new ATOM 0 HG LEU A 3 9.956 2.797 -0.944 1.00 34.13 H new ATOM 0 HD11 LEU A 3 7.998 4.132 -1.619 1.00 23.21 H new ATOM 0 HD12 LEU A 3 8.135 2.633 -2.570 1.00 23.21 H new ATOM 0 HD13 LEU A 3 6.937 2.749 -1.259 1.00 23.21 H new ATOM 0 HD21 LEU A 3 8.798 4.209 0.714 1.00 41.13 H new ATOM 0 HD22 LEU A 3 7.769 2.828 1.164 1.00 41.13 H new ATOM 0 HD23 LEU A 3 9.522 2.767 1.465 1.00 41.13 H new ATOM 51 N CYS A 4 10.630 -0.038 -3.305 1.00 63.52 N ATOM 52 CA CYS A 4 11.869 -0.654 -3.768 1.00 3.21 C ATOM 53 C CYS A 4 13.003 0.366 -3.802 1.00 21.23 C ATOM 54 O CYS A 4 12.766 1.570 -3.894 1.00 71.22 O ATOM 55 CB CYS A 4 11.673 -1.263 -5.157 1.00 50.51 C ATOM 56 SG CYS A 4 10.182 -2.273 -5.316 1.00 51.24 S ATOM 0 H CYS A 4 10.307 0.742 -3.877 1.00 63.52 H new ATOM 0 HA CYS A 4 12.136 -1.445 -3.067 1.00 3.21 H new ATOM 0 HB2 CYS A 4 11.635 -0.459 -5.892 1.00 50.51 H new ATOM 0 HB3 CYS A 4 12.541 -1.876 -5.399 1.00 50.51 H new ATOM 0 HG CYS A 4 10.103 -2.742 -6.526 1.00 51.24 H new ATOM 62 N ALA A 5 14.236 -0.125 -3.724 1.00 73.04 N ATOM 63 CA ALA A 5 15.406 0.743 -3.747 1.00 4.15 C ATOM 64 C ALA A 5 16.511 0.153 -4.616 1.00 61.04 C ATOM 65 O ALA A 5 16.705 -1.062 -4.651 1.00 13.24 O ATOM 66 CB ALA A 5 15.915 0.979 -2.332 1.00 41.21 C ATOM 0 H ALA A 5 14.450 -1.119 -3.644 1.00 73.04 H new ATOM 0 HA ALA A 5 15.110 1.698 -4.180 1.00 4.15 H new ATOM 0 HB1 ALA A 5 16.789 1.629 -2.364 1.00 41.21 H new ATOM 0 HB2 ALA A 5 15.133 1.452 -1.738 1.00 41.21 H new ATOM 0 HB3 ALA A 5 16.188 0.026 -1.880 1.00 41.21 H new ATOM 72 N MET A 6 17.232 1.021 -5.319 1.00 22.14 N ATOM 73 CA MET A 6 18.318 0.584 -6.188 1.00 42.45 C ATOM 74 C MET A 6 19.663 1.086 -5.673 1.00 2.14 C ATOM 75 O MET A 6 19.841 2.281 -5.434 1.00 52.04 O ATOM 76 CB MET A 6 18.088 1.083 -7.616 1.00 43.04 C ATOM 77 CG MET A 6 18.239 2.588 -7.766 1.00 41.22 C ATOM 78 SD MET A 6 17.284 3.248 -9.146 1.00 12.13 S ATOM 79 CE MET A 6 18.064 2.416 -10.527 1.00 33.55 C ATOM 0 H MET A 6 17.084 2.030 -5.304 1.00 22.14 H new ATOM 0 HA MET A 6 18.333 -0.506 -6.188 1.00 42.45 H new ATOM 0 HB2 MET A 6 18.793 0.587 -8.283 1.00 43.04 H new ATOM 0 HB3 MET A 6 17.087 0.793 -7.937 1.00 43.04 H new ATOM 0 HG2 MET A 6 17.922 3.075 -6.844 1.00 41.22 H new ATOM 0 HG3 MET A 6 19.292 2.831 -7.909 1.00 41.22 H new ATOM 0 HE1 MET A 6 17.643 2.788 -11.461 1.00 33.55 H new ATOM 0 HE2 MET A 6 19.136 2.610 -10.510 1.00 33.55 H new ATOM 0 HE3 MET A 6 17.888 1.343 -10.452 1.00 33.55 H new ATOM 89 N TYR A 7 20.607 0.167 -5.502 1.00 35.30 N ATOM 90 CA TYR A 7 21.934 0.516 -5.012 1.00 5.04 C ATOM 91 C TYR A 7 23.010 0.107 -6.013 1.00 62.40 C ATOM 92 O TYR A 7 22.944 -0.969 -6.607 1.00 10.23 O ATOM 93 CB TYR A 7 22.196 -0.156 -3.662 1.00 52.54 C ATOM 94 CG TYR A 7 22.414 -1.648 -3.761 1.00 60.53 C ATOM 95 CD1 TYR A 7 21.356 -2.509 -4.024 1.00 33.40 C ATOM 96 CD2 TYR A 7 23.679 -2.198 -3.593 1.00 2.10 C ATOM 97 CE1 TYR A 7 21.551 -3.874 -4.114 1.00 55.03 C ATOM 98 CE2 TYR A 7 23.884 -3.561 -3.683 1.00 74.31 C ATOM 99 CZ TYR A 7 22.816 -4.395 -3.943 1.00 61.14 C ATOM 100 OH TYR A 7 23.015 -5.754 -4.034 1.00 55.31 O ATOM 0 H TYR A 7 20.477 -0.826 -5.696 1.00 35.30 H new ATOM 0 HA TYR A 7 21.973 1.598 -4.886 1.00 5.04 H new ATOM 0 HB2 TYR A 7 23.072 0.301 -3.202 1.00 52.54 H new ATOM 0 HB3 TYR A 7 21.352 0.036 -3.000 1.00 52.54 H new ATOM 0 HD1 TYR A 7 20.364 -2.105 -4.160 1.00 33.40 H new ATOM 0 HD2 TYR A 7 24.517 -1.548 -3.388 1.00 2.10 H new ATOM 0 HE1 TYR A 7 20.717 -4.529 -4.317 1.00 55.03 H new ATOM 0 HE2 TYR A 7 24.874 -3.971 -3.551 1.00 74.31 H new ATOM 0 HH TYR A 7 22.216 -6.224 -3.716 1.00 55.31 H new ATOM 110 N ASN A 8 24.001 0.973 -6.194 1.00 44.32 N ATOM 111 CA ASN A 8 25.093 0.703 -7.123 1.00 54.23 C ATOM 112 C ASN A 8 26.404 0.488 -6.374 1.00 61.22 C ATOM 113 O ASN A 8 26.758 1.264 -5.486 1.00 42.14 O ATOM 114 CB ASN A 8 25.243 1.858 -8.116 1.00 12.03 C ATOM 115 CG ASN A 8 25.629 3.158 -7.436 1.00 62.42 C ATOM 116 OD1 ASN A 8 24.772 3.978 -7.107 1.00 71.41 O ATOM 117 ND2 ASN A 8 26.926 3.351 -7.223 1.00 54.14 N ATOM 0 H ASN A 8 24.071 1.868 -5.710 1.00 44.32 H new ATOM 0 HA ASN A 8 24.854 -0.209 -7.670 1.00 54.23 H new ATOM 0 HB2 ASN A 8 25.999 1.600 -8.857 1.00 12.03 H new ATOM 0 HB3 ASN A 8 24.304 1.996 -8.653 1.00 12.03 H new ATOM 0 HD21 ASN A 8 27.247 4.207 -6.770 1.00 54.14 H new ATOM 0 HD22 ASN A 8 27.601 2.643 -7.513 1.00 54.14 H new ATOM 124 N ILE A 9 27.120 -0.570 -6.739 1.00 23.43 N ATOM 125 CA ILE A 9 28.393 -0.887 -6.103 1.00 0.34 C ATOM 126 C ILE A 9 29.545 -0.780 -7.095 1.00 45.55 C ATOM 127 O ILE A 9 29.479 -1.319 -8.200 1.00 21.22 O ATOM 128 CB ILE A 9 28.383 -2.302 -5.496 1.00 72.30 C ATOM 129 CG1 ILE A 9 27.546 -3.246 -6.362 1.00 50.12 C ATOM 130 CG2 ILE A 9 27.846 -2.265 -4.073 1.00 10.20 C ATOM 131 CD1 ILE A 9 27.412 -4.637 -5.784 1.00 61.44 C ATOM 0 H ILE A 9 26.840 -1.222 -7.472 1.00 23.43 H new ATOM 0 HA ILE A 9 28.536 -0.159 -5.304 1.00 0.34 H new ATOM 0 HB ILE A 9 29.406 -2.676 -5.468 1.00 72.30 H new ATOM 0 HG12 ILE A 9 26.552 -2.819 -6.494 1.00 50.12 H new ATOM 0 HG13 ILE A 9 27.998 -3.315 -7.352 1.00 50.12 H new ATOM 0 HG21 ILE A 9 27.845 -3.273 -3.658 1.00 10.20 H new ATOM 0 HG22 ILE A 9 28.479 -1.621 -3.462 1.00 10.20 H new ATOM 0 HG23 ILE A 9 26.829 -1.874 -4.078 1.00 10.20 H new ATOM 0 HD11 ILE A 9 26.806 -5.251 -6.450 1.00 61.44 H new ATOM 0 HD12 ILE A 9 28.401 -5.084 -5.677 1.00 61.44 H new ATOM 0 HD13 ILE A 9 26.932 -4.580 -4.807 1.00 61.44 H new ATOM 143 N SER A 10 30.602 -0.081 -6.694 1.00 4.32 N ATOM 144 CA SER A 10 31.770 0.099 -7.549 1.00 12.11 C ATOM 145 C SER A 10 32.977 -0.643 -6.983 1.00 50.33 C ATOM 146 O SER A 10 33.383 -0.412 -5.845 1.00 22.13 O ATOM 147 CB SER A 10 32.095 1.587 -7.698 1.00 31.31 C ATOM 148 OG SER A 10 33.188 1.955 -6.875 1.00 23.41 O ATOM 0 H SER A 10 30.674 0.370 -5.782 1.00 4.32 H new ATOM 0 HA SER A 10 31.539 -0.315 -8.530 1.00 12.11 H new ATOM 0 HB2 SER A 10 32.329 1.809 -8.739 1.00 31.31 H new ATOM 0 HB3 SER A 10 31.221 2.182 -7.434 1.00 31.31 H new ATOM 0 HG SER A 10 33.990 2.068 -7.427 1.00 23.41 H new ATOM 154 N MET A 11 33.546 -1.535 -7.788 1.00 14.32 N ATOM 155 CA MET A 11 34.707 -2.310 -7.369 1.00 22.35 C ATOM 156 C MET A 11 35.998 -1.540 -7.628 1.00 51.22 C ATOM 157 O MET A 11 37.087 -2.006 -7.296 1.00 43.05 O ATOM 158 CB MET A 11 34.744 -3.652 -8.103 1.00 52.32 C ATOM 159 CG MET A 11 35.190 -3.539 -9.552 1.00 31.20 C ATOM 160 SD MET A 11 34.030 -4.310 -10.698 1.00 4.32 S ATOM 161 CE MET A 11 33.989 -3.090 -12.009 1.00 31.12 C ATOM 0 H MET A 11 33.222 -1.738 -8.733 1.00 14.32 H new ATOM 0 HA MET A 11 34.622 -2.492 -6.298 1.00 22.35 H new ATOM 0 HB2 MET A 11 35.418 -4.327 -7.575 1.00 52.32 H new ATOM 0 HB3 MET A 11 33.752 -4.102 -8.071 1.00 52.32 H new ATOM 0 HG2 MET A 11 35.306 -2.487 -9.811 1.00 31.20 H new ATOM 0 HG3 MET A 11 36.169 -4.005 -9.664 1.00 31.20 H new ATOM 0 HE1 MET A 11 33.312 -3.424 -12.796 1.00 31.12 H new ATOM 0 HE2 MET A 11 33.639 -2.138 -11.609 1.00 31.12 H new ATOM 0 HE3 MET A 11 34.990 -2.965 -12.421 1.00 31.12 H new ATOM 171 N ALA A 12 35.867 -0.359 -8.223 1.00 42.34 N ATOM 172 CA ALA A 12 37.023 0.476 -8.526 1.00 11.44 C ATOM 173 C ALA A 12 36.599 1.780 -9.194 1.00 73.32 C ATOM 174 O ALA A 12 35.441 2.186 -9.106 1.00 31.04 O ATOM 175 CB ALA A 12 38.003 -0.279 -9.411 1.00 53.14 C ATOM 0 H ALA A 12 34.972 0.041 -8.505 1.00 42.34 H new ATOM 0 HA ALA A 12 37.517 0.724 -7.586 1.00 11.44 H new ATOM 0 HB1 ALA A 12 38.861 0.357 -9.629 1.00 53.14 H new ATOM 0 HB2 ALA A 12 38.340 -1.179 -8.896 1.00 53.14 H new ATOM 0 HB3 ALA A 12 37.512 -0.557 -10.343 1.00 53.14 H new ATOM 181 N GLY A 13 37.545 2.432 -9.863 1.00 71.33 N ATOM 182 CA GLY A 13 37.249 3.683 -10.536 1.00 61.03 C ATOM 183 C GLY A 13 36.678 3.474 -11.925 1.00 22.32 C ATOM 184 O GLY A 13 36.694 4.384 -12.753 1.00 71.24 O ATOM 0 H GLY A 13 38.511 2.116 -9.951 1.00 71.33 H new ATOM 0 HA2 GLY A 13 36.540 4.255 -9.937 1.00 61.03 H new ATOM 0 HA3 GLY A 13 38.159 4.278 -10.607 1.00 61.03 H new ATOM 188 N SER A 14 36.174 2.271 -12.180 1.00 60.35 N ATOM 189 CA SER A 14 35.601 1.943 -13.480 1.00 74.25 C ATOM 190 C SER A 14 34.079 1.866 -13.399 1.00 50.23 C ATOM 191 O SER A 14 33.511 1.698 -12.320 1.00 11.43 O ATOM 192 CB SER A 14 36.163 0.614 -13.989 1.00 40.01 C ATOM 193 OG SER A 14 35.936 0.463 -15.380 1.00 34.24 O ATOM 0 H SER A 14 36.151 1.508 -11.504 1.00 60.35 H new ATOM 0 HA SER A 14 35.871 2.735 -14.178 1.00 74.25 H new ATOM 0 HB2 SER A 14 37.233 0.566 -13.785 1.00 40.01 H new ATOM 0 HB3 SER A 14 35.698 -0.211 -13.450 1.00 40.01 H new ATOM 0 HG SER A 14 36.306 -0.393 -15.681 1.00 34.24 H new ATOM 199 N HIS A 15 33.424 1.991 -14.550 1.00 23.45 N ATOM 200 CA HIS A 15 31.968 1.935 -14.610 1.00 40.21 C ATOM 201 C HIS A 15 31.416 0.981 -13.555 1.00 3.20 C ATOM 202 O HIS A 15 31.564 -0.238 -13.647 1.00 51.42 O ATOM 203 CB HIS A 15 31.511 1.495 -16.001 1.00 52.22 C ATOM 204 CG HIS A 15 31.845 2.479 -17.080 1.00 73.33 C ATOM 205 ND1 HIS A 15 31.383 3.778 -17.084 1.00 30.04 N ATOM 206 CD2 HIS A 15 32.601 2.347 -18.195 1.00 3.01 C ATOM 207 CE1 HIS A 15 31.840 4.402 -18.154 1.00 54.54 C ATOM 208 NE2 HIS A 15 32.582 3.556 -18.845 1.00 41.33 N ATOM 0 H HIS A 15 33.878 2.132 -15.452 1.00 23.45 H new ATOM 0 HA HIS A 15 31.582 2.934 -14.408 1.00 40.21 H new ATOM 0 HB2 HIS A 15 31.972 0.536 -16.240 1.00 52.22 H new ATOM 0 HB3 HIS A 15 30.433 1.336 -15.987 1.00 52.22 H new ATOM 0 HD2 HIS A 15 33.122 1.456 -18.514 1.00 3.01 H new ATOM 0 HE1 HIS A 15 31.641 5.430 -18.419 1.00 54.54 H new ATOM 0 HE2 HIS A 15 33.063 3.767 -19.720 1.00 41.33 H new ATOM 216 N PRO A 16 30.766 1.547 -12.527 1.00 72.33 N ATOM 217 CA PRO A 16 30.179 0.765 -11.435 1.00 23.41 C ATOM 218 C PRO A 16 28.967 -0.042 -11.886 1.00 33.42 C ATOM 219 O PRO A 16 28.531 0.060 -13.033 1.00 54.10 O ATOM 220 CB PRO A 16 29.764 1.831 -10.418 1.00 61.03 C ATOM 221 CG PRO A 16 29.558 3.065 -11.227 1.00 3.32 C ATOM 222 CD PRO A 16 30.552 2.993 -12.353 1.00 2.21 C ATOM 0 HA PRO A 16 30.879 0.029 -11.039 1.00 23.41 H new ATOM 0 HB2 PRO A 16 28.852 1.544 -9.894 1.00 61.03 H new ATOM 0 HB3 PRO A 16 30.535 1.978 -9.661 1.00 61.03 H new ATOM 0 HG2 PRO A 16 28.538 3.115 -11.609 1.00 3.32 H new ATOM 0 HG3 PRO A 16 29.717 3.958 -10.623 1.00 3.32 H new ATOM 0 HD2 PRO A 16 30.164 3.454 -13.261 1.00 2.21 H new ATOM 0 HD3 PRO A 16 31.479 3.509 -12.104 1.00 2.21 H new ATOM 230 N THR A 17 28.424 -0.846 -10.976 1.00 4.21 N ATOM 231 CA THR A 17 27.262 -1.671 -11.280 1.00 43.02 C ATOM 232 C THR A 17 26.057 -1.252 -10.446 1.00 60.30 C ATOM 233 O THR A 17 26.145 -1.136 -9.223 1.00 51.22 O ATOM 234 CB THR A 17 27.552 -3.163 -11.031 1.00 32.15 C ATOM 235 OG1 THR A 17 28.681 -3.579 -11.806 1.00 24.41 O ATOM 236 CG2 THR A 17 26.344 -4.016 -11.387 1.00 54.21 C ATOM 0 H THR A 17 28.771 -0.943 -10.022 1.00 4.21 H new ATOM 0 HA THR A 17 27.037 -1.524 -12.336 1.00 43.02 H new ATOM 0 HB THR A 17 27.771 -3.296 -9.971 1.00 32.15 H new ATOM 0 HG1 THR A 17 28.860 -4.528 -11.640 1.00 24.41 H new ATOM 0 HG21 THR A 17 26.573 -5.066 -11.203 1.00 54.21 H new ATOM 0 HG22 THR A 17 25.494 -3.717 -10.774 1.00 54.21 H new ATOM 0 HG23 THR A 17 26.098 -3.878 -12.440 1.00 54.21 H new ATOM 244 N THR A 18 24.930 -1.027 -11.114 1.00 72.52 N ATOM 245 CA THR A 18 23.706 -0.621 -10.434 1.00 64.33 C ATOM 246 C THR A 18 22.714 -1.775 -10.353 1.00 75.10 C ATOM 247 O THR A 18 22.567 -2.548 -11.300 1.00 40.14 O ATOM 248 CB THR A 18 23.036 0.569 -11.147 1.00 22.50 C ATOM 249 OG1 THR A 18 24.026 1.526 -11.539 1.00 24.22 O ATOM 250 CG2 THR A 18 22.011 1.234 -10.241 1.00 73.25 C ATOM 0 H THR A 18 24.839 -1.119 -12.126 1.00 72.52 H new ATOM 0 HA THR A 18 23.989 -0.318 -9.426 1.00 64.33 H new ATOM 0 HB THR A 18 22.525 0.193 -12.033 1.00 22.50 H new ATOM 0 HG1 THR A 18 23.592 2.278 -11.993 1.00 24.22 H new ATOM 0 HG21 THR A 18 21.551 2.071 -10.765 1.00 73.25 H new ATOM 0 HG22 THR A 18 21.243 0.510 -9.968 1.00 73.25 H new ATOM 0 HG23 THR A 18 22.504 1.597 -9.339 1.00 73.25 H new ATOM 258 N ILE A 19 22.034 -1.885 -9.217 1.00 34.42 N ATOM 259 CA ILE A 19 21.053 -2.945 -9.014 1.00 10.42 C ATOM 260 C ILE A 19 19.793 -2.406 -8.344 1.00 60.24 C ATOM 261 O ILE A 19 19.864 -1.547 -7.465 1.00 52.10 O ATOM 262 CB ILE A 19 21.628 -4.087 -8.156 1.00 60.32 C ATOM 263 CG1 ILE A 19 22.021 -5.271 -9.042 1.00 60.14 C ATOM 264 CG2 ILE A 19 20.618 -4.519 -7.103 1.00 63.13 C ATOM 265 CD1 ILE A 19 22.278 -6.545 -8.269 1.00 65.51 C ATOM 0 H ILE A 19 22.144 -1.254 -8.423 1.00 34.42 H new ATOM 0 HA ILE A 19 20.800 -3.334 -10.000 1.00 10.42 H new ATOM 0 HB ILE A 19 22.522 -3.725 -7.647 1.00 60.32 H new ATOM 0 HG12 ILE A 19 21.228 -5.450 -9.768 1.00 60.14 H new ATOM 0 HG13 ILE A 19 22.917 -5.011 -9.606 1.00 60.14 H new ATOM 0 HG21 ILE A 19 21.039 -5.327 -6.505 1.00 63.13 H new ATOM 0 HG22 ILE A 19 20.382 -3.674 -6.457 1.00 63.13 H new ATOM 0 HG23 ILE A 19 19.708 -4.866 -7.592 1.00 63.13 H new ATOM 0 HD11 ILE A 19 22.552 -7.342 -8.961 1.00 65.51 H new ATOM 0 HD12 ILE A 19 23.091 -6.384 -7.562 1.00 65.51 H new ATOM 0 HD13 ILE A 19 21.376 -6.830 -7.726 1.00 65.51 H new ATOM 277 N CYS A 20 18.642 -2.918 -8.765 1.00 73.11 N ATOM 278 CA CYS A 20 17.365 -2.490 -8.206 1.00 14.45 C ATOM 279 C CYS A 20 16.620 -3.668 -7.586 1.00 11.42 C ATOM 280 O CYS A 20 16.283 -4.633 -8.272 1.00 12.34 O ATOM 281 CB CYS A 20 16.503 -1.838 -9.288 1.00 72.21 C ATOM 282 SG CYS A 20 14.864 -1.328 -8.719 1.00 42.41 S ATOM 0 H CYS A 20 18.567 -3.630 -9.492 1.00 73.11 H new ATOM 0 HA CYS A 20 17.567 -1.759 -7.423 1.00 14.45 H new ATOM 0 HB2 CYS A 20 17.028 -0.966 -9.679 1.00 72.21 H new ATOM 0 HB3 CYS A 20 16.387 -2.538 -10.116 1.00 72.21 H new ATOM 0 HG CYS A 20 14.212 -0.786 -9.704 1.00 42.41 H new ATOM 288 N VAL A 21 16.368 -3.582 -6.283 1.00 74.45 N ATOM 289 CA VAL A 21 15.663 -4.641 -5.570 1.00 63.44 C ATOM 290 C VAL A 21 14.692 -4.063 -4.548 1.00 31.25 C ATOM 291 O VAL A 21 14.948 -3.014 -3.956 1.00 74.12 O ATOM 292 CB VAL A 21 16.647 -5.585 -4.852 1.00 53.53 C ATOM 293 CG1 VAL A 21 17.471 -6.367 -5.863 1.00 43.21 C ATOM 294 CG2 VAL A 21 17.547 -4.799 -3.911 1.00 42.53 C ATOM 0 H VAL A 21 16.641 -2.791 -5.700 1.00 74.45 H new ATOM 0 HA VAL A 21 15.105 -5.208 -6.315 1.00 63.44 H new ATOM 0 HB VAL A 21 16.074 -6.297 -4.259 1.00 53.53 H new ATOM 0 HG11 VAL A 21 18.160 -7.028 -5.337 1.00 43.21 H new ATOM 0 HG12 VAL A 21 16.807 -6.960 -6.492 1.00 43.21 H new ATOM 0 HG13 VAL A 21 18.037 -5.674 -6.485 1.00 43.21 H new ATOM 0 HG21 VAL A 21 18.236 -5.481 -3.412 1.00 42.53 H new ATOM 0 HG22 VAL A 21 18.114 -4.063 -4.480 1.00 42.53 H new ATOM 0 HG23 VAL A 21 16.937 -4.289 -3.165 1.00 42.53 H new ATOM 304 N VAL A 22 13.575 -4.755 -4.343 1.00 25.12 N ATOM 305 CA VAL A 22 12.565 -4.312 -3.390 1.00 2.34 C ATOM 306 C VAL A 22 13.080 -4.409 -1.958 1.00 31.40 C ATOM 307 O VAL A 22 13.985 -5.190 -1.665 1.00 43.22 O ATOM 308 CB VAL A 22 11.272 -5.139 -3.516 1.00 64.34 C ATOM 309 CG1 VAL A 22 11.502 -6.565 -3.040 1.00 22.42 C ATOM 310 CG2 VAL A 22 10.142 -4.484 -2.737 1.00 41.34 C ATOM 0 H VAL A 22 13.347 -5.625 -4.825 1.00 25.12 H new ATOM 0 HA VAL A 22 12.345 -3.270 -3.624 1.00 2.34 H new ATOM 0 HB VAL A 22 10.985 -5.174 -4.567 1.00 64.34 H new ATOM 0 HG11 VAL A 22 10.578 -7.134 -3.136 1.00 22.42 H new ATOM 0 HG12 VAL A 22 12.279 -7.030 -3.646 1.00 22.42 H new ATOM 0 HG13 VAL A 22 11.814 -6.554 -1.996 1.00 22.42 H new ATOM 0 HG21 VAL A 22 9.236 -5.082 -2.837 1.00 41.34 H new ATOM 0 HG22 VAL A 22 10.417 -4.416 -1.684 1.00 41.34 H new ATOM 0 HG23 VAL A 22 9.961 -3.483 -3.130 1.00 41.34 H new ATOM 320 N MET A 23 12.496 -3.612 -1.069 1.00 71.23 N ATOM 321 CA MET A 23 12.895 -3.610 0.333 1.00 33.44 C ATOM 322 C MET A 23 12.863 -5.022 0.909 1.00 22.54 C ATOM 323 O MET A 23 13.729 -5.400 1.699 1.00 34.24 O ATOM 324 CB MET A 23 11.977 -2.695 1.146 1.00 74.04 C ATOM 325 CG MET A 23 10.542 -3.190 1.226 1.00 74.10 C ATOM 326 SD MET A 23 9.346 -1.843 1.314 1.00 61.24 S ATOM 327 CE MET A 23 8.225 -2.467 2.563 1.00 14.33 C ATOM 0 H MET A 23 11.745 -2.960 -1.295 1.00 71.23 H new ATOM 0 HA MET A 23 13.916 -3.234 0.393 1.00 33.44 H new ATOM 0 HB2 MET A 23 12.376 -2.598 2.156 1.00 74.04 H new ATOM 0 HB3 MET A 23 11.985 -1.699 0.703 1.00 74.04 H new ATOM 0 HG2 MET A 23 10.325 -3.807 0.354 1.00 74.10 H new ATOM 0 HG3 MET A 23 10.430 -3.828 2.103 1.00 74.10 H new ATOM 0 HE1 MET A 23 7.427 -1.743 2.730 1.00 14.33 H new ATOM 0 HE2 MET A 23 7.795 -3.411 2.227 1.00 14.33 H new ATOM 0 HE3 MET A 23 8.770 -2.627 3.493 1.00 14.33 H new ATOM 337 N ASP A 24 11.861 -5.797 0.509 1.00 21.45 N ATOM 338 CA ASP A 24 11.718 -7.168 0.986 1.00 75.34 C ATOM 339 C ASP A 24 12.948 -7.998 0.631 1.00 35.23 C ATOM 340 O ASP A 24 13.390 -8.837 1.417 1.00 41.53 O ATOM 341 CB ASP A 24 10.464 -7.810 0.388 1.00 45.13 C ATOM 342 CG ASP A 24 9.268 -6.879 0.415 1.00 43.14 C ATOM 343 OD1 ASP A 24 8.884 -6.439 1.518 1.00 30.22 O ATOM 344 OD2 ASP A 24 8.716 -6.591 -0.668 1.00 12.31 O ATOM 0 H ASP A 24 11.136 -5.500 -0.144 1.00 21.45 H new ATOM 0 HA ASP A 24 11.621 -7.141 2.071 1.00 75.34 H new ATOM 0 HB2 ASP A 24 10.667 -8.107 -0.641 1.00 45.13 H new ATOM 0 HB3 ASP A 24 10.226 -8.719 0.941 1.00 45.13 H new ATOM 349 N ARG A 25 13.494 -7.759 -0.556 1.00 61.44 N ATOM 350 CA ARG A 25 14.671 -8.486 -1.016 1.00 24.44 C ATOM 351 C ARG A 25 15.938 -7.663 -0.799 1.00 33.04 C ATOM 352 O ARG A 25 17.051 -8.173 -0.922 1.00 23.44 O ATOM 353 CB ARG A 25 14.531 -8.844 -2.496 1.00 74.52 C ATOM 354 CG ARG A 25 13.347 -9.750 -2.794 1.00 33.12 C ATOM 355 CD ARG A 25 13.727 -11.218 -2.683 1.00 32.32 C ATOM 356 NE ARG A 25 14.328 -11.723 -3.914 1.00 50.24 N ATOM 357 CZ ARG A 25 14.484 -13.015 -4.180 1.00 42.14 C ATOM 358 NH1 ARG A 25 14.085 -13.928 -3.306 1.00 22.11 N ATOM 359 NH2 ARG A 25 15.040 -13.396 -5.323 1.00 41.34 N ATOM 0 H ARG A 25 13.140 -7.067 -1.217 1.00 61.44 H new ATOM 0 HA ARG A 25 14.750 -9.404 -0.433 1.00 24.44 H new ATOM 0 HB2 ARG A 25 14.430 -7.926 -3.075 1.00 74.52 H new ATOM 0 HB3 ARG A 25 15.446 -9.333 -2.831 1.00 74.52 H new ATOM 0 HG2 ARG A 25 12.535 -9.530 -2.101 1.00 33.12 H new ATOM 0 HG3 ARG A 25 12.974 -9.545 -3.797 1.00 33.12 H new ATOM 0 HD2 ARG A 25 14.427 -11.350 -1.858 1.00 32.32 H new ATOM 0 HD3 ARG A 25 12.840 -11.805 -2.446 1.00 32.32 H new ATOM 0 HE ARG A 25 14.646 -11.046 -4.608 1.00 50.24 H new ATOM 0 HH11 ARG A 25 13.657 -13.639 -2.426 1.00 22.11 H new ATOM 0 HH12 ARG A 25 14.206 -14.919 -3.513 1.00 22.11 H new ATOM 0 HH21 ARG A 25 15.348 -12.696 -5.998 1.00 41.34 H new ATOM 0 HH22 ARG A 25 15.159 -14.388 -5.526 1.00 41.34 H new ATOM 373 N PHE A 26 15.759 -6.386 -0.476 1.00 20.42 N ATOM 374 CA PHE A 26 16.887 -5.492 -0.243 1.00 52.42 C ATOM 375 C PHE A 26 17.687 -5.931 0.980 1.00 74.24 C ATOM 376 O PHE A 26 18.917 -5.979 0.947 1.00 41.22 O ATOM 377 CB PHE A 26 16.395 -4.055 -0.055 1.00 50.14 C ATOM 378 CG PHE A 26 17.504 -3.043 -0.010 1.00 52.22 C ATOM 379 CD1 PHE A 26 18.554 -3.105 -0.912 1.00 72.11 C ATOM 380 CD2 PHE A 26 17.496 -2.029 0.935 1.00 64.44 C ATOM 381 CE1 PHE A 26 19.576 -2.175 -0.874 1.00 34.15 C ATOM 382 CE2 PHE A 26 18.515 -1.096 0.978 1.00 62.42 C ATOM 383 CZ PHE A 26 19.557 -1.170 0.073 1.00 34.15 C ATOM 0 H PHE A 26 14.844 -5.948 -0.370 1.00 20.42 H new ATOM 0 HA PHE A 26 17.539 -5.535 -1.116 1.00 52.42 H new ATOM 0 HB2 PHE A 26 15.716 -3.802 -0.870 1.00 50.14 H new ATOM 0 HB3 PHE A 26 15.821 -3.994 0.869 1.00 50.14 H new ATOM 0 HD1 PHE A 26 18.574 -3.890 -1.654 1.00 72.11 H new ATOM 0 HD2 PHE A 26 16.685 -1.967 1.645 1.00 64.44 H new ATOM 0 HE1 PHE A 26 20.388 -2.234 -1.584 1.00 34.15 H new ATOM 0 HE2 PHE A 26 18.497 -0.310 1.718 1.00 62.42 H new ATOM 0 HZ PHE A 26 20.355 -0.443 0.106 1.00 34.15 H new ATOM 393 N LEU A 27 16.980 -6.251 2.058 1.00 75.13 N ATOM 394 CA LEU A 27 17.622 -6.687 3.293 1.00 42.32 C ATOM 395 C LEU A 27 18.478 -7.927 3.053 1.00 12.45 C ATOM 396 O LEU A 27 19.639 -7.978 3.457 1.00 1.31 O ATOM 397 CB LEU A 27 16.569 -6.979 4.363 1.00 3.44 C ATOM 398 CG LEU A 27 15.422 -7.898 3.943 1.00 22.35 C ATOM 399 CD1 LEU A 27 15.660 -9.313 4.449 1.00 14.33 C ATOM 400 CD2 LEU A 27 14.094 -7.362 4.457 1.00 74.33 C ATOM 0 H LEU A 27 15.962 -6.217 2.102 1.00 75.13 H new ATOM 0 HA LEU A 27 18.270 -5.882 3.641 1.00 42.32 H new ATOM 0 HB2 LEU A 27 17.068 -7.424 5.223 1.00 3.44 H new ATOM 0 HB3 LEU A 27 16.145 -6.031 4.696 1.00 3.44 H new ATOM 0 HG LEU A 27 15.383 -7.925 2.854 1.00 22.35 H new ATOM 0 HD11 LEU A 27 14.834 -9.953 4.141 1.00 14.33 H new ATOM 0 HD12 LEU A 27 16.591 -9.697 4.032 1.00 14.33 H new ATOM 0 HD13 LEU A 27 15.726 -9.304 5.537 1.00 14.33 H new ATOM 0 HD21 LEU A 27 13.289 -8.029 4.149 1.00 74.33 H new ATOM 0 HD22 LEU A 27 14.121 -7.305 5.545 1.00 74.33 H new ATOM 0 HD23 LEU A 27 13.919 -6.368 4.046 1.00 74.33 H new ATOM 412 N GLU A 28 17.896 -8.923 2.393 1.00 52.53 N ATOM 413 CA GLU A 28 18.606 -10.161 2.099 1.00 64.43 C ATOM 414 C GLU A 28 19.706 -9.926 1.067 1.00 20.31 C ATOM 415 O GLU A 28 20.833 -10.395 1.228 1.00 40.42 O ATOM 416 CB GLU A 28 17.632 -11.225 1.588 1.00 23.33 C ATOM 417 CG GLU A 28 18.303 -12.537 1.216 1.00 45.30 C ATOM 418 CD GLU A 28 18.660 -12.612 -0.256 1.00 23.11 C ATOM 419 OE1 GLU A 28 17.854 -12.142 -1.086 1.00 21.10 O ATOM 420 OE2 GLU A 28 19.745 -13.141 -0.578 1.00 12.33 O ATOM 0 H GLU A 28 16.935 -8.896 2.052 1.00 52.53 H new ATOM 0 HA GLU A 28 19.066 -10.513 3.022 1.00 64.43 H new ATOM 0 HB2 GLU A 28 16.881 -11.416 2.354 1.00 23.33 H new ATOM 0 HB3 GLU A 28 17.106 -10.836 0.716 1.00 23.33 H new ATOM 0 HG2 GLU A 28 19.207 -12.660 1.812 1.00 45.30 H new ATOM 0 HG3 GLU A 28 17.640 -13.364 1.468 1.00 45.30 H new ATOM 427 N SER A 29 19.369 -9.198 0.008 1.00 43.25 N ATOM 428 CA SER A 29 20.326 -8.904 -1.053 1.00 52.41 C ATOM 429 C SER A 29 21.569 -8.221 -0.490 1.00 32.53 C ATOM 430 O SER A 29 22.693 -8.522 -0.893 1.00 54.43 O ATOM 431 CB SER A 29 19.681 -8.015 -2.118 1.00 51.23 C ATOM 432 OG SER A 29 20.646 -7.547 -3.045 1.00 31.13 O ATOM 0 H SER A 29 18.441 -8.801 -0.139 1.00 43.25 H new ATOM 0 HA SER A 29 20.626 -9.847 -1.509 1.00 52.41 H new ATOM 0 HB2 SER A 29 18.908 -8.575 -2.644 1.00 51.23 H new ATOM 0 HB3 SER A 29 19.190 -7.167 -1.640 1.00 51.23 H new ATOM 0 HG SER A 29 20.208 -6.982 -3.716 1.00 31.13 H new ATOM 438 N PHE A 30 21.358 -7.301 0.446 1.00 63.42 N ATOM 439 CA PHE A 30 22.461 -6.575 1.065 1.00 14.30 C ATOM 440 C PHE A 30 23.315 -7.507 1.920 1.00 54.15 C ATOM 441 O PHE A 30 24.543 -7.474 1.855 1.00 64.12 O ATOM 442 CB PHE A 30 21.924 -5.427 1.923 1.00 45.54 C ATOM 443 CG PHE A 30 22.508 -5.388 3.306 1.00 62.31 C ATOM 444 CD1 PHE A 30 23.817 -4.981 3.509 1.00 71.10 C ATOM 445 CD2 PHE A 30 21.748 -5.760 4.403 1.00 24.23 C ATOM 446 CE1 PHE A 30 24.357 -4.944 4.781 1.00 61.42 C ATOM 447 CE2 PHE A 30 22.283 -5.725 5.677 1.00 30.23 C ATOM 448 CZ PHE A 30 23.589 -5.318 5.866 1.00 2.02 C ATOM 0 H PHE A 30 20.434 -7.041 0.792 1.00 63.42 H new ATOM 0 HA PHE A 30 23.086 -6.166 0.271 1.00 14.30 H new ATOM 0 HB2 PHE A 30 22.133 -4.482 1.422 1.00 45.54 H new ATOM 0 HB3 PHE A 30 20.840 -5.516 1.997 1.00 45.54 H new ATOM 0 HD1 PHE A 30 24.422 -4.689 2.664 1.00 71.10 H new ATOM 0 HD2 PHE A 30 20.727 -6.081 4.261 1.00 24.23 H new ATOM 0 HE1 PHE A 30 25.378 -4.623 4.926 1.00 61.42 H new ATOM 0 HE2 PHE A 30 21.680 -6.016 6.524 1.00 30.23 H new ATOM 0 HZ PHE A 30 24.009 -5.292 6.861 1.00 2.02 H new ATOM 458 N SER A 31 22.654 -8.337 2.720 1.00 10.14 N ATOM 459 CA SER A 31 23.351 -9.276 3.592 1.00 44.54 C ATOM 460 C SER A 31 24.303 -10.158 2.789 1.00 51.51 C ATOM 461 O SER A 31 25.459 -10.345 3.166 1.00 11.14 O ATOM 462 CB SER A 31 22.346 -10.146 4.347 1.00 32.42 C ATOM 463 OG SER A 31 21.815 -11.157 3.508 1.00 31.41 O ATOM 0 H SER A 31 21.637 -8.379 2.783 1.00 10.14 H new ATOM 0 HA SER A 31 23.935 -8.701 4.311 1.00 44.54 H new ATOM 0 HB2 SER A 31 22.831 -10.603 5.209 1.00 32.42 H new ATOM 0 HB3 SER A 31 21.537 -9.524 4.729 1.00 32.42 H new ATOM 0 HG SER A 31 21.181 -10.758 2.876 1.00 31.41 H new ATOM 469 N GLU A 32 23.807 -10.696 1.679 1.00 34.35 N ATOM 470 CA GLU A 32 24.612 -11.559 0.824 1.00 61.34 C ATOM 471 C GLU A 32 25.617 -10.741 0.018 1.00 63.41 C ATOM 472 O GLU A 32 26.777 -11.130 -0.128 1.00 30.25 O ATOM 473 CB GLU A 32 23.714 -12.359 -0.122 1.00 53.13 C ATOM 474 CG GLU A 32 24.405 -13.557 -0.751 1.00 43.32 C ATOM 475 CD GLU A 32 24.492 -14.741 0.191 1.00 24.43 C ATOM 476 OE1 GLU A 32 24.210 -14.565 1.395 1.00 45.22 O ATOM 477 OE2 GLU A 32 24.843 -15.846 -0.276 1.00 15.44 O ATOM 0 H GLU A 32 22.852 -10.549 1.351 1.00 34.35 H new ATOM 0 HA GLU A 32 25.161 -12.250 1.463 1.00 61.34 H new ATOM 0 HB2 GLU A 32 22.838 -12.703 0.427 1.00 53.13 H new ATOM 0 HB3 GLU A 32 23.356 -11.700 -0.913 1.00 53.13 H new ATOM 0 HG2 GLU A 32 23.865 -13.852 -1.651 1.00 43.32 H new ATOM 0 HG3 GLU A 32 25.410 -13.270 -1.062 1.00 43.32 H new ATOM 484 N LEU A 33 25.164 -9.607 -0.504 1.00 44.04 N ATOM 485 CA LEU A 33 26.023 -8.733 -1.296 1.00 51.05 C ATOM 486 C LEU A 33 27.262 -8.325 -0.506 1.00 51.31 C ATOM 487 O LEU A 33 28.363 -8.255 -1.051 1.00 45.25 O ATOM 488 CB LEU A 33 25.250 -7.488 -1.735 1.00 44.30 C ATOM 489 CG LEU A 33 26.031 -6.474 -2.573 1.00 74.42 C ATOM 490 CD1 LEU A 33 26.870 -5.575 -1.679 1.00 31.32 C ATOM 491 CD2 LEU A 33 26.909 -7.188 -3.591 1.00 2.34 C ATOM 0 H LEU A 33 24.207 -9.271 -0.393 1.00 44.04 H new ATOM 0 HA LEU A 33 26.345 -9.284 -2.180 1.00 51.05 H new ATOM 0 HB2 LEU A 33 24.379 -7.808 -2.307 1.00 44.30 H new ATOM 0 HB3 LEU A 33 24.878 -6.983 -0.844 1.00 44.30 H new ATOM 0 HG LEU A 33 25.318 -5.850 -3.112 1.00 74.42 H new ATOM 0 HD11 LEU A 33 27.418 -4.861 -2.293 1.00 31.32 H new ATOM 0 HD12 LEU A 33 26.219 -5.037 -0.990 1.00 31.32 H new ATOM 0 HD13 LEU A 33 27.575 -6.182 -1.112 1.00 31.32 H new ATOM 0 HD21 LEU A 33 27.457 -6.452 -4.178 1.00 2.34 H new ATOM 0 HD22 LEU A 33 27.615 -7.836 -3.072 1.00 2.34 H new ATOM 0 HD23 LEU A 33 26.284 -7.788 -4.253 1.00 2.34 H new ATOM 503 N TYR A 34 27.074 -8.058 0.782 1.00 63.24 N ATOM 504 CA TYR A 34 28.177 -7.657 1.648 1.00 54.25 C ATOM 505 C TYR A 34 29.184 -8.791 1.808 1.00 44.13 C ATOM 506 O TYR A 34 30.383 -8.554 1.961 1.00 32.43 O ATOM 507 CB TYR A 34 27.647 -7.232 3.019 1.00 64.55 C ATOM 508 CG TYR A 34 28.728 -7.088 4.066 1.00 33.25 C ATOM 509 CD1 TYR A 34 29.440 -5.903 4.200 1.00 50.21 C ATOM 510 CD2 TYR A 34 29.035 -8.137 4.924 1.00 64.40 C ATOM 511 CE1 TYR A 34 30.428 -5.767 5.155 1.00 23.15 C ATOM 512 CE2 TYR A 34 30.021 -8.010 5.883 1.00 22.15 C ATOM 513 CZ TYR A 34 30.715 -6.823 5.995 1.00 61.31 C ATOM 514 OH TYR A 34 31.698 -6.692 6.949 1.00 11.40 O ATOM 0 H TYR A 34 26.169 -8.112 1.249 1.00 63.24 H new ATOM 0 HA TYR A 34 28.682 -6.811 1.183 1.00 54.25 H new ATOM 0 HB2 TYR A 34 27.121 -6.282 2.918 1.00 64.55 H new ATOM 0 HB3 TYR A 34 26.917 -7.966 3.361 1.00 64.55 H new ATOM 0 HD1 TYR A 34 29.217 -5.073 3.546 1.00 50.21 H new ATOM 0 HD2 TYR A 34 28.493 -9.068 4.840 1.00 64.40 H new ATOM 0 HE1 TYR A 34 30.973 -4.839 5.244 1.00 23.15 H new ATOM 0 HE2 TYR A 34 30.247 -8.835 6.542 1.00 22.15 H new ATOM 0 HH TYR A 34 31.774 -7.526 7.457 1.00 11.40 H new ATOM 524 N ASP A 35 28.689 -10.023 1.770 1.00 43.00 N ATOM 525 CA ASP A 35 29.545 -11.196 1.909 1.00 41.41 C ATOM 526 C ASP A 35 30.362 -11.425 0.642 1.00 64.15 C ATOM 527 O ASP A 35 31.483 -11.933 0.697 1.00 11.24 O ATOM 528 CB ASP A 35 28.703 -12.434 2.219 1.00 60.21 C ATOM 529 CG ASP A 35 29.062 -13.060 3.552 1.00 4.23 C ATOM 530 OD1 ASP A 35 30.267 -13.109 3.879 1.00 31.15 O ATOM 531 OD2 ASP A 35 28.139 -13.499 4.269 1.00 63.30 O ATOM 0 H ASP A 35 27.699 -10.236 1.644 1.00 43.00 H new ATOM 0 HA ASP A 35 30.233 -11.018 2.736 1.00 41.41 H new ATOM 0 HB2 ASP A 35 27.648 -12.161 2.222 1.00 60.21 H new ATOM 0 HB3 ASP A 35 28.839 -13.170 1.427 1.00 60.21 H new ATOM 536 N ILE A 36 29.794 -11.049 -0.499 1.00 41.21 N ATOM 537 CA ILE A 36 30.470 -11.214 -1.780 1.00 3.23 C ATOM 538 C ILE A 36 31.258 -9.962 -2.151 1.00 21.03 C ATOM 539 O ILE A 36 32.184 -10.017 -2.960 1.00 45.31 O ATOM 540 CB ILE A 36 29.470 -11.531 -2.908 1.00 5.54 C ATOM 541 CG1 ILE A 36 30.190 -11.583 -4.257 1.00 0.41 C ATOM 542 CG2 ILE A 36 28.357 -10.494 -2.935 1.00 31.23 C ATOM 543 CD1 ILE A 36 30.037 -10.318 -5.072 1.00 45.23 C ATOM 0 H ILE A 36 28.867 -10.628 -0.562 1.00 41.21 H new ATOM 0 HA ILE A 36 31.157 -12.053 -1.668 1.00 3.23 H new ATOM 0 HB ILE A 36 29.026 -12.508 -2.717 1.00 5.54 H new ATOM 0 HG12 ILE A 36 31.250 -11.770 -4.087 1.00 0.41 H new ATOM 0 HG13 ILE A 36 29.806 -12.425 -4.833 1.00 0.41 H new ATOM 0 HG21 ILE A 36 27.658 -10.731 -3.737 1.00 31.23 H new ATOM 0 HG22 ILE A 36 27.830 -10.501 -1.981 1.00 31.23 H new ATOM 0 HG23 ILE A 36 28.784 -9.506 -3.106 1.00 31.23 H new ATOM 0 HD11 ILE A 36 30.573 -10.426 -6.015 1.00 45.23 H new ATOM 0 HD12 ILE A 36 28.981 -10.140 -5.273 1.00 45.23 H new ATOM 0 HD13 ILE A 36 30.447 -9.475 -4.516 1.00 45.23 H new ATOM 555 N ILE A 37 30.885 -8.836 -1.552 1.00 50.13 N ATOM 556 CA ILE A 37 31.559 -7.571 -1.818 1.00 12.13 C ATOM 557 C ILE A 37 33.044 -7.659 -1.485 1.00 64.03 C ATOM 558 O ILE A 37 33.844 -6.845 -1.948 1.00 71.32 O ATOM 559 CB ILE A 37 30.931 -6.419 -1.011 1.00 42.31 C ATOM 560 CG1 ILE A 37 31.277 -5.072 -1.650 1.00 61.21 C ATOM 561 CG2 ILE A 37 31.406 -6.463 0.434 1.00 63.35 C ATOM 562 CD1 ILE A 37 30.554 -4.818 -2.954 1.00 74.50 C ATOM 0 H ILE A 37 30.120 -8.774 -0.880 1.00 50.13 H new ATOM 0 HA ILE A 37 31.439 -7.367 -2.882 1.00 12.13 H new ATOM 0 HB ILE A 37 29.847 -6.537 -1.020 1.00 42.31 H new ATOM 0 HG12 ILE A 37 31.035 -4.274 -0.948 1.00 61.21 H new ATOM 0 HG13 ILE A 37 32.352 -5.028 -1.825 1.00 61.21 H new ATOM 0 HG21 ILE A 37 30.953 -5.643 0.991 1.00 63.35 H new ATOM 0 HG22 ILE A 37 31.114 -7.412 0.884 1.00 63.35 H new ATOM 0 HG23 ILE A 37 32.491 -6.366 0.463 1.00 63.35 H new ATOM 0 HD11 ILE A 37 30.848 -3.846 -3.349 1.00 74.50 H new ATOM 0 HD12 ILE A 37 30.815 -5.595 -3.672 1.00 74.50 H new ATOM 0 HD13 ILE A 37 29.478 -4.830 -2.782 1.00 74.50 H new ATOM 574 N ASP A 38 33.407 -8.653 -0.682 1.00 1.33 N ATOM 575 CA ASP A 38 34.798 -8.850 -0.289 1.00 53.21 C ATOM 576 C ASP A 38 35.647 -9.265 -1.487 1.00 33.04 C ATOM 577 O ASP A 38 36.862 -9.074 -1.493 1.00 42.42 O ATOM 578 CB ASP A 38 34.894 -9.907 0.812 1.00 62.45 C ATOM 579 CG ASP A 38 35.067 -9.296 2.188 1.00 24.31 C ATOM 580 OD1 ASP A 38 34.100 -8.690 2.694 1.00 11.05 O ATOM 581 OD2 ASP A 38 36.170 -9.425 2.759 1.00 21.04 O ATOM 0 H ASP A 38 32.758 -9.335 -0.290 1.00 1.33 H new ATOM 0 HA ASP A 38 35.180 -7.904 0.093 1.00 53.21 H new ATOM 0 HB2 ASP A 38 33.994 -10.521 0.801 1.00 62.45 H new ATOM 0 HB3 ASP A 38 35.734 -10.569 0.604 1.00 62.45 H new ATOM 586 N GLU A 39 34.997 -9.835 -2.497 1.00 24.11 N ATOM 587 CA GLU A 39 35.694 -10.279 -3.698 1.00 42.05 C ATOM 588 C GLU A 39 36.150 -9.087 -4.535 1.00 3.34 C ATOM 589 O GLU A 39 36.015 -7.936 -4.120 1.00 74.52 O ATOM 590 CB GLU A 39 34.788 -11.186 -4.535 1.00 4.54 C ATOM 591 CG GLU A 39 34.226 -12.366 -3.760 1.00 5.20 C ATOM 592 CD GLU A 39 35.305 -13.327 -3.298 1.00 15.23 C ATOM 593 OE1 GLU A 39 35.660 -14.238 -4.073 1.00 71.34 O ATOM 594 OE2 GLU A 39 35.793 -13.166 -2.159 1.00 71.44 O ATOM 0 H GLU A 39 33.990 -10.000 -2.507 1.00 24.11 H new ATOM 0 HA GLU A 39 36.574 -10.842 -3.388 1.00 42.05 H new ATOM 0 HB2 GLU A 39 33.962 -10.595 -4.931 1.00 4.54 H new ATOM 0 HB3 GLU A 39 35.351 -11.559 -5.390 1.00 4.54 H new ATOM 0 HG2 GLU A 39 33.677 -11.998 -2.893 1.00 5.20 H new ATOM 0 HG3 GLU A 39 33.512 -12.901 -4.387 1.00 5.20 H new ATOM 601 N ASN A 40 36.692 -9.372 -5.714 1.00 44.42 N ATOM 602 CA ASN A 40 37.170 -8.324 -6.609 1.00 1.41 C ATOM 603 C ASN A 40 37.175 -8.805 -8.057 1.00 15.42 C ATOM 604 O ASN A 40 37.889 -8.262 -8.900 1.00 11.11 O ATOM 605 CB ASN A 40 38.577 -7.880 -6.203 1.00 50.30 C ATOM 606 CG ASN A 40 39.007 -6.606 -6.906 1.00 33.44 C ATOM 607 OD1 ASN A 40 39.816 -6.639 -7.833 1.00 3.45 O ATOM 608 ND2 ASN A 40 38.465 -5.476 -6.466 1.00 20.51 N ATOM 0 H ASN A 40 36.811 -10.320 -6.072 1.00 44.42 H new ATOM 0 HA ASN A 40 36.491 -7.475 -6.529 1.00 1.41 H new ATOM 0 HB2 ASN A 40 38.609 -7.725 -5.125 1.00 50.30 H new ATOM 0 HB3 ASN A 40 39.286 -8.675 -6.432 1.00 50.30 H new ATOM 0 HD21 ASN A 40 38.715 -4.587 -6.900 1.00 20.51 H new ATOM 0 HD22 ASN A 40 37.798 -5.497 -5.694 1.00 20.51 H new ATOM 615 N ASP A 41 36.372 -9.825 -8.338 1.00 22.55 N ATOM 616 CA ASP A 41 36.282 -10.379 -9.684 1.00 33.14 C ATOM 617 C ASP A 41 35.009 -9.908 -10.380 1.00 60.25 C ATOM 618 O ASP A 41 33.939 -9.855 -9.774 1.00 13.24 O ATOM 619 CB ASP A 41 36.314 -11.907 -9.633 1.00 25.42 C ATOM 620 CG ASP A 41 37.709 -12.464 -9.840 1.00 44.21 C ATOM 621 OD1 ASP A 41 38.434 -11.939 -10.711 1.00 54.13 O ATOM 622 OD2 ASP A 41 38.077 -13.425 -9.132 1.00 14.23 O ATOM 0 H ASP A 41 35.774 -10.285 -7.652 1.00 22.55 H new ATOM 0 HA ASP A 41 37.140 -10.025 -10.255 1.00 33.14 H new ATOM 0 HB2 ASP A 41 35.931 -12.244 -8.670 1.00 25.42 H new ATOM 0 HB3 ASP A 41 35.649 -12.307 -10.398 1.00 25.42 H new ATOM 627 N THR A 42 35.132 -9.566 -11.659 1.00 44.12 N ATOM 628 CA THR A 42 33.993 -9.097 -12.438 1.00 64.23 C ATOM 629 C THR A 42 33.026 -10.237 -12.738 1.00 10.50 C ATOM 630 O THR A 42 31.820 -10.023 -12.863 1.00 10.12 O ATOM 631 CB THR A 42 34.445 -8.460 -13.766 1.00 10.31 C ATOM 632 OG1 THR A 42 34.970 -9.466 -14.639 1.00 32.00 O ATOM 633 CG2 THR A 42 35.501 -7.392 -13.522 1.00 13.01 C ATOM 0 H THR A 42 36.010 -9.605 -12.177 1.00 44.12 H new ATOM 0 HA THR A 42 33.487 -8.343 -11.835 1.00 64.23 H new ATOM 0 HB THR A 42 33.578 -7.992 -14.232 1.00 10.31 H new ATOM 0 HG1 THR A 42 35.253 -9.053 -15.481 1.00 32.00 H new ATOM 0 HG21 THR A 42 35.805 -6.956 -14.474 1.00 13.01 H new ATOM 0 HG22 THR A 42 35.089 -6.612 -12.881 1.00 13.01 H new ATOM 0 HG23 THR A 42 36.367 -7.841 -13.036 1.00 13.01 H new ATOM 641 N ASP A 43 33.562 -11.447 -12.852 1.00 12.33 N ATOM 642 CA ASP A 43 32.745 -12.621 -13.135 1.00 71.11 C ATOM 643 C ASP A 43 31.813 -12.930 -11.967 1.00 41.53 C ATOM 644 O ASP A 43 30.620 -13.168 -12.157 1.00 43.22 O ATOM 645 CB ASP A 43 33.635 -13.830 -13.426 1.00 64.03 C ATOM 646 CG ASP A 43 32.860 -14.991 -14.019 1.00 5.43 C ATOM 647 OD1 ASP A 43 31.706 -14.777 -14.444 1.00 20.11 O ATOM 648 OD2 ASP A 43 33.408 -16.113 -14.056 1.00 41.55 O ATOM 0 H ASP A 43 34.559 -11.641 -12.753 1.00 12.33 H new ATOM 0 HA ASP A 43 32.138 -12.406 -14.014 1.00 71.11 H new ATOM 0 HB2 ASP A 43 34.427 -13.537 -14.115 1.00 64.03 H new ATOM 0 HB3 ASP A 43 34.118 -14.153 -12.503 1.00 64.03 H new ATOM 653 N VAL A 44 32.366 -12.924 -10.758 1.00 71.54 N ATOM 654 CA VAL A 44 31.585 -13.204 -9.559 1.00 53.43 C ATOM 655 C VAL A 44 30.601 -12.076 -9.270 1.00 14.13 C ATOM 656 O VAL A 44 29.468 -12.319 -8.855 1.00 12.53 O ATOM 657 CB VAL A 44 32.493 -13.405 -8.332 1.00 21.40 C ATOM 658 CG1 VAL A 44 33.351 -12.172 -8.094 1.00 14.24 C ATOM 659 CG2 VAL A 44 31.661 -13.732 -7.101 1.00 54.04 C ATOM 0 H VAL A 44 33.352 -12.728 -10.583 1.00 71.54 H new ATOM 0 HA VAL A 44 31.033 -14.125 -9.748 1.00 53.43 H new ATOM 0 HB VAL A 44 33.157 -14.247 -8.528 1.00 21.40 H new ATOM 0 HG11 VAL A 44 33.986 -12.333 -7.223 1.00 14.24 H new ATOM 0 HG12 VAL A 44 33.975 -11.989 -8.969 1.00 14.24 H new ATOM 0 HG13 VAL A 44 32.708 -11.309 -7.920 1.00 14.24 H new ATOM 0 HG21 VAL A 44 32.319 -13.871 -6.243 1.00 54.04 H new ATOM 0 HG22 VAL A 44 30.971 -12.912 -6.900 1.00 54.04 H new ATOM 0 HG23 VAL A 44 31.096 -14.647 -7.276 1.00 54.04 H new ATOM 669 N MET A 45 31.041 -10.842 -9.492 1.00 1.10 N ATOM 670 CA MET A 45 30.198 -9.676 -9.256 1.00 53.23 C ATOM 671 C MET A 45 29.077 -9.597 -10.289 1.00 25.54 C ATOM 672 O MET A 45 27.925 -9.335 -9.948 1.00 15.31 O ATOM 673 CB MET A 45 31.036 -8.397 -9.298 1.00 51.41 C ATOM 674 CG MET A 45 31.481 -7.916 -7.926 1.00 71.52 C ATOM 675 SD MET A 45 30.103 -7.364 -6.903 1.00 32.41 S ATOM 676 CE MET A 45 29.829 -5.721 -7.561 1.00 61.43 C ATOM 0 H MET A 45 31.976 -10.624 -9.835 1.00 1.10 H new ATOM 0 HA MET A 45 29.751 -9.777 -8.267 1.00 53.23 H new ATOM 0 HB2 MET A 45 31.917 -8.570 -9.917 1.00 51.41 H new ATOM 0 HB3 MET A 45 30.457 -7.609 -9.780 1.00 51.41 H new ATOM 0 HG2 MET A 45 32.007 -8.723 -7.416 1.00 71.52 H new ATOM 0 HG3 MET A 45 32.191 -7.097 -8.045 1.00 71.52 H new ATOM 0 HE1 MET A 45 30.049 -4.980 -6.792 1.00 61.43 H new ATOM 0 HE2 MET A 45 30.482 -5.559 -8.419 1.00 61.43 H new ATOM 0 HE3 MET A 45 28.789 -5.623 -7.873 1.00 61.43 H new ATOM 686 N MET A 46 29.425 -9.827 -11.551 1.00 12.23 N ATOM 687 CA MET A 46 28.447 -9.783 -12.632 1.00 42.20 C ATOM 688 C MET A 46 27.456 -10.936 -12.516 1.00 60.40 C ATOM 689 O MET A 46 26.271 -10.781 -12.811 1.00 12.24 O ATOM 690 CB MET A 46 29.153 -9.836 -13.989 1.00 13.45 C ATOM 691 CG MET A 46 29.628 -11.227 -14.373 1.00 30.55 C ATOM 692 SD MET A 46 30.378 -11.278 -16.012 1.00 13.24 S ATOM 693 CE MET A 46 28.930 -11.104 -17.052 1.00 32.34 C ATOM 0 H MET A 46 30.375 -10.045 -11.850 1.00 12.23 H new ATOM 0 HA MET A 46 27.897 -8.845 -12.553 1.00 42.20 H new ATOM 0 HB2 MET A 46 28.473 -9.468 -14.758 1.00 13.45 H new ATOM 0 HB3 MET A 46 30.009 -9.161 -13.971 1.00 13.45 H new ATOM 0 HG2 MET A 46 30.351 -11.576 -13.636 1.00 30.55 H new ATOM 0 HG3 MET A 46 28.784 -11.916 -14.342 1.00 30.55 H new ATOM 0 HE1 MET A 46 29.191 -11.346 -18.082 1.00 32.34 H new ATOM 0 HE2 MET A 46 28.150 -11.782 -16.706 1.00 32.34 H new ATOM 0 HE3 MET A 46 28.567 -10.078 -17.001 1.00 32.34 H new ATOM 703 N ASP A 47 27.949 -12.093 -12.086 1.00 14.31 N ATOM 704 CA ASP A 47 27.106 -13.272 -11.930 1.00 74.54 C ATOM 705 C ASP A 47 26.159 -13.112 -10.745 1.00 2.42 C ATOM 706 O ASP A 47 24.986 -13.478 -10.819 1.00 62.23 O ATOM 707 CB ASP A 47 27.969 -14.521 -11.744 1.00 73.42 C ATOM 708 CG ASP A 47 27.146 -15.748 -11.405 1.00 33.54 C ATOM 709 OD1 ASP A 47 26.486 -16.290 -12.315 1.00 74.35 O ATOM 710 OD2 ASP A 47 27.161 -16.167 -10.228 1.00 1.53 O ATOM 0 H ASP A 47 28.928 -12.239 -11.839 1.00 14.31 H new ATOM 0 HA ASP A 47 26.509 -13.383 -12.835 1.00 74.54 H new ATOM 0 HB2 ASP A 47 28.535 -14.707 -12.657 1.00 73.42 H new ATOM 0 HB3 ASP A 47 28.694 -14.343 -10.950 1.00 73.42 H new ATOM 715 N PHE A 48 26.677 -12.562 -9.651 1.00 61.32 N ATOM 716 CA PHE A 48 25.879 -12.355 -8.448 1.00 51.25 C ATOM 717 C PHE A 48 24.856 -11.243 -8.660 1.00 13.21 C ATOM 718 O PHE A 48 23.688 -11.382 -8.296 1.00 33.33 O ATOM 719 CB PHE A 48 26.784 -12.012 -7.263 1.00 73.12 C ATOM 720 CG PHE A 48 26.029 -11.581 -6.038 1.00 62.20 C ATOM 721 CD1 PHE A 48 25.668 -10.255 -5.861 1.00 73.45 C ATOM 722 CD2 PHE A 48 25.682 -12.502 -5.063 1.00 10.04 C ATOM 723 CE1 PHE A 48 24.973 -9.856 -4.735 1.00 50.54 C ATOM 724 CE2 PHE A 48 24.987 -12.108 -3.935 1.00 20.13 C ATOM 725 CZ PHE A 48 24.633 -10.783 -3.770 1.00 62.13 C ATOM 0 H PHE A 48 27.646 -12.252 -9.573 1.00 61.32 H new ATOM 0 HA PHE A 48 25.345 -13.280 -8.232 1.00 51.25 H new ATOM 0 HB2 PHE A 48 27.393 -12.882 -7.017 1.00 73.12 H new ATOM 0 HB3 PHE A 48 27.468 -11.216 -7.557 1.00 73.12 H new ATOM 0 HD1 PHE A 48 25.933 -9.525 -6.612 1.00 73.45 H new ATOM 0 HD2 PHE A 48 25.957 -13.539 -5.186 1.00 10.04 H new ATOM 0 HE1 PHE A 48 24.696 -8.820 -4.610 1.00 50.54 H new ATOM 0 HE2 PHE A 48 24.721 -12.836 -3.183 1.00 20.13 H new ATOM 0 HZ PHE A 48 24.092 -10.473 -2.888 1.00 62.13 H new ATOM 735 N ILE A 49 25.303 -10.140 -9.250 1.00 2.40 N ATOM 736 CA ILE A 49 24.427 -9.004 -9.510 1.00 63.14 C ATOM 737 C ILE A 49 23.315 -9.380 -10.484 1.00 10.44 C ATOM 738 O ILE A 49 22.141 -9.106 -10.236 1.00 13.21 O ATOM 739 CB ILE A 49 25.211 -7.808 -10.081 1.00 43.43 C ATOM 740 CG1 ILE A 49 25.666 -6.882 -8.951 1.00 40.11 C ATOM 741 CG2 ILE A 49 24.359 -7.047 -11.086 1.00 0.20 C ATOM 742 CD1 ILE A 49 26.773 -7.465 -8.101 1.00 42.11 C ATOM 0 H ILE A 49 26.267 -10.009 -9.557 1.00 2.40 H new ATOM 0 HA ILE A 49 23.989 -8.718 -8.554 1.00 63.14 H new ATOM 0 HB ILE A 49 26.095 -8.185 -10.595 1.00 43.43 H new ATOM 0 HG12 ILE A 49 26.006 -5.939 -9.379 1.00 40.11 H new ATOM 0 HG13 ILE A 49 24.812 -6.653 -8.314 1.00 40.11 H new ATOM 0 HG21 ILE A 49 24.927 -6.205 -11.481 1.00 0.20 H new ATOM 0 HG22 ILE A 49 24.080 -7.712 -11.904 1.00 0.20 H new ATOM 0 HG23 ILE A 49 23.458 -6.679 -10.595 1.00 0.20 H new ATOM 0 HD11 ILE A 49 27.045 -6.754 -7.320 1.00 42.11 H new ATOM 0 HD12 ILE A 49 26.430 -8.393 -7.644 1.00 42.11 H new ATOM 0 HD13 ILE A 49 27.643 -7.668 -8.726 1.00 42.11 H new ATOM 754 N SER A 50 23.693 -10.010 -11.591 1.00 70.01 N ATOM 755 CA SER A 50 22.728 -10.422 -12.603 1.00 73.14 C ATOM 756 C SER A 50 21.763 -11.462 -12.042 1.00 73.13 C ATOM 757 O SER A 50 20.571 -11.451 -12.353 1.00 4.22 O ATOM 758 CB SER A 50 23.451 -10.988 -13.827 1.00 75.22 C ATOM 759 OG SER A 50 22.625 -10.933 -14.978 1.00 2.12 O ATOM 0 H SER A 50 24.661 -10.246 -11.810 1.00 70.01 H new ATOM 0 HA SER A 50 22.155 -9.544 -12.902 1.00 73.14 H new ATOM 0 HB2 SER A 50 24.367 -10.424 -14.005 1.00 75.22 H new ATOM 0 HB3 SER A 50 23.744 -12.020 -13.635 1.00 75.22 H new ATOM 0 HG SER A 50 23.110 -11.299 -15.747 1.00 2.12 H new ATOM 765 N ARG A 51 22.286 -12.360 -11.214 1.00 64.24 N ATOM 766 CA ARG A 51 21.473 -13.408 -10.610 1.00 72.44 C ATOM 767 C ARG A 51 20.545 -12.831 -9.545 1.00 41.15 C ATOM 768 O ARG A 51 19.454 -13.351 -9.309 1.00 42.44 O ATOM 769 CB ARG A 51 22.367 -14.486 -9.993 1.00 52.44 C ATOM 770 CG ARG A 51 22.916 -15.476 -11.008 1.00 2.45 C ATOM 771 CD ARG A 51 23.933 -16.413 -10.376 1.00 62.31 C ATOM 772 NE ARG A 51 23.315 -17.326 -9.418 1.00 61.44 N ATOM 773 CZ ARG A 51 23.997 -18.217 -8.707 1.00 71.42 C ATOM 774 NH1 ARG A 51 25.312 -18.314 -8.845 1.00 20.30 N ATOM 775 NH2 ARG A 51 23.363 -19.014 -7.856 1.00 1.54 N ATOM 0 H ARG A 51 23.270 -12.383 -10.946 1.00 64.24 H new ATOM 0 HA ARG A 51 20.863 -13.857 -11.394 1.00 72.44 H new ATOM 0 HB2 ARG A 51 23.200 -14.005 -9.480 1.00 52.44 H new ATOM 0 HB3 ARG A 51 21.798 -15.030 -9.239 1.00 52.44 H new ATOM 0 HG2 ARG A 51 22.097 -16.058 -11.431 1.00 2.45 H new ATOM 0 HG3 ARG A 51 23.381 -14.934 -11.832 1.00 2.45 H new ATOM 0 HD2 ARG A 51 24.430 -16.989 -11.157 1.00 62.31 H new ATOM 0 HD3 ARG A 51 24.703 -15.827 -9.874 1.00 62.31 H new ATOM 0 HE ARG A 51 22.305 -17.277 -9.288 1.00 61.44 H new ATOM 0 HH11 ARG A 51 25.803 -17.704 -9.498 1.00 20.30 H new ATOM 0 HH12 ARG A 51 25.833 -18.999 -8.298 1.00 20.30 H new ATOM 0 HH21 ARG A 51 22.351 -18.943 -7.748 1.00 1.54 H new ATOM 0 HH22 ARG A 51 23.887 -19.698 -7.310 1.00 1.54 H new ATOM 789 N PHE A 52 20.986 -11.753 -8.905 1.00 64.30 N ATOM 790 CA PHE A 52 20.197 -11.106 -7.864 1.00 53.21 C ATOM 791 C PHE A 52 19.281 -10.040 -8.460 1.00 21.25 C ATOM 792 O PHE A 52 18.335 -9.589 -7.815 1.00 72.21 O ATOM 793 CB PHE A 52 21.115 -10.477 -6.815 1.00 3.54 C ATOM 794 CG PHE A 52 21.416 -11.387 -5.658 1.00 51.51 C ATOM 795 CD1 PHE A 52 21.754 -12.713 -5.873 1.00 2.12 C ATOM 796 CD2 PHE A 52 21.360 -10.916 -4.356 1.00 53.32 C ATOM 797 CE1 PHE A 52 22.032 -13.553 -4.811 1.00 11.12 C ATOM 798 CE2 PHE A 52 21.637 -11.751 -3.290 1.00 53.24 C ATOM 799 CZ PHE A 52 21.972 -13.071 -3.518 1.00 30.31 C ATOM 0 H PHE A 52 21.886 -11.309 -9.089 1.00 64.30 H new ATOM 0 HA PHE A 52 19.579 -11.866 -7.386 1.00 53.21 H new ATOM 0 HB2 PHE A 52 22.051 -10.186 -7.291 1.00 3.54 H new ATOM 0 HB3 PHE A 52 20.652 -9.565 -6.439 1.00 3.54 H new ATOM 0 HD1 PHE A 52 21.801 -13.095 -6.882 1.00 2.12 H new ATOM 0 HD2 PHE A 52 21.097 -9.885 -4.172 1.00 53.32 H new ATOM 0 HE1 PHE A 52 22.296 -14.585 -4.992 1.00 11.12 H new ATOM 0 HE2 PHE A 52 21.591 -11.371 -2.280 1.00 53.24 H new ATOM 0 HZ PHE A 52 22.187 -13.726 -2.686 1.00 30.31 H new ATOM 809 N ALA A 53 19.571 -9.642 -9.694 1.00 21.21 N ATOM 810 CA ALA A 53 18.774 -8.631 -10.378 1.00 22.24 C ATOM 811 C ALA A 53 18.010 -9.235 -11.551 1.00 21.42 C ATOM 812 O ALA A 53 18.271 -10.368 -11.956 1.00 73.21 O ATOM 813 CB ALA A 53 19.663 -7.492 -10.855 1.00 21.14 C ATOM 0 H ALA A 53 20.352 -10.004 -10.241 1.00 21.21 H new ATOM 0 HA ALA A 53 18.046 -8.237 -9.669 1.00 22.24 H new ATOM 0 HB1 ALA A 53 19.055 -6.744 -11.364 1.00 21.14 H new ATOM 0 HB2 ALA A 53 20.159 -7.035 -9.999 1.00 21.14 H new ATOM 0 HB3 ALA A 53 20.413 -7.880 -11.544 1.00 21.14 H new ATOM 819 N ARG A 54 17.066 -8.473 -12.092 1.00 14.44 N ATOM 820 CA ARG A 54 16.262 -8.934 -13.217 1.00 63.23 C ATOM 821 C ARG A 54 15.602 -7.759 -13.932 1.00 41.13 C ATOM 822 O ARG A 54 14.570 -7.915 -14.585 1.00 35.10 O ATOM 823 CB ARG A 54 15.194 -9.919 -12.739 1.00 60.20 C ATOM 824 CG ARG A 54 14.734 -10.889 -13.815 1.00 64.22 C ATOM 825 CD ARG A 54 15.477 -12.213 -13.726 1.00 20.23 C ATOM 826 NE ARG A 54 14.903 -13.096 -12.714 1.00 13.45 N ATOM 827 CZ ARG A 54 15.404 -14.287 -12.408 1.00 34.32 C ATOM 828 NH1 ARG A 54 16.483 -14.736 -13.033 1.00 23.44 N ATOM 829 NH2 ARG A 54 14.825 -15.032 -11.475 1.00 35.21 N ATOM 0 H ARG A 54 16.839 -7.533 -11.769 1.00 14.44 H new ATOM 0 HA ARG A 54 16.924 -9.439 -13.920 1.00 63.23 H new ATOM 0 HB2 ARG A 54 15.587 -10.486 -11.895 1.00 60.20 H new ATOM 0 HB3 ARG A 54 14.333 -9.359 -12.374 1.00 60.20 H new ATOM 0 HG2 ARG A 54 13.663 -11.064 -13.715 1.00 64.22 H new ATOM 0 HG3 ARG A 54 14.894 -10.446 -14.798 1.00 64.22 H new ATOM 0 HD2 ARG A 54 15.451 -12.709 -14.696 1.00 20.23 H new ATOM 0 HD3 ARG A 54 16.525 -12.026 -13.491 1.00 20.23 H new ATOM 0 HE ARG A 54 14.071 -12.780 -12.215 1.00 13.45 H new ATOM 0 HH11 ARG A 54 16.931 -14.166 -13.751 1.00 23.44 H new ATOM 0 HH12 ARG A 54 16.866 -15.651 -12.796 1.00 23.44 H new ATOM 0 HH21 ARG A 54 13.994 -14.690 -10.992 1.00 35.21 H new ATOM 0 HH22 ARG A 54 15.211 -15.947 -11.241 1.00 35.21 H new ATOM 843 N THR A 55 16.205 -6.581 -13.804 1.00 52.34 N ATOM 844 CA THR A 55 15.675 -5.379 -14.436 1.00 44.21 C ATOM 845 C THR A 55 14.175 -5.250 -14.202 1.00 14.04 C ATOM 846 O THR A 55 13.369 -5.690 -15.022 1.00 14.32 O ATOM 847 CB THR A 55 15.949 -5.374 -15.952 1.00 11.21 C ATOM 848 OG1 THR A 55 15.288 -6.482 -16.573 1.00 24.44 O ATOM 849 CG2 THR A 55 17.442 -5.445 -16.233 1.00 4.05 C ATOM 0 H THR A 55 17.061 -6.434 -13.268 1.00 52.34 H new ATOM 0 HA THR A 55 16.185 -4.531 -13.979 1.00 44.21 H new ATOM 0 HB THR A 55 15.562 -4.443 -16.365 1.00 11.21 H new ATOM 0 HG1 THR A 55 14.530 -6.763 -16.019 1.00 24.44 H new ATOM 0 HG21 THR A 55 17.610 -5.440 -17.310 1.00 4.05 H new ATOM 0 HG22 THR A 55 17.938 -4.584 -15.784 1.00 4.05 H new ATOM 0 HG23 THR A 55 17.849 -6.362 -15.806 1.00 4.05 H new ATOM 857 N ASP A 56 13.806 -4.644 -13.078 1.00 60.33 N ATOM 858 CA ASP A 56 12.401 -4.456 -12.737 1.00 12.12 C ATOM 859 C ASP A 56 12.091 -2.980 -12.504 1.00 23.41 C ATOM 860 O ASP A 56 12.958 -2.214 -12.084 1.00 35.12 O ATOM 861 CB ASP A 56 12.043 -5.268 -11.491 1.00 5.43 C ATOM 862 CG ASP A 56 12.192 -6.760 -11.710 1.00 33.40 C ATOM 863 OD1 ASP A 56 11.975 -7.217 -12.852 1.00 70.11 O ATOM 864 OD2 ASP A 56 12.525 -7.472 -10.740 1.00 3.24 O ATOM 0 H ASP A 56 14.460 -4.275 -12.388 1.00 60.33 H new ATOM 0 HA ASP A 56 11.799 -4.807 -13.575 1.00 12.12 H new ATOM 0 HB2 ASP A 56 12.682 -4.960 -10.664 1.00 5.43 H new ATOM 0 HB3 ASP A 56 11.016 -5.047 -11.200 1.00 5.43 H new ATOM 869 N GLU A 57 10.851 -2.590 -12.781 1.00 61.10 N ATOM 870 CA GLU A 57 10.429 -1.206 -12.603 1.00 50.32 C ATOM 871 C GLU A 57 9.401 -1.090 -11.481 1.00 24.21 C ATOM 872 O GLU A 57 9.028 -2.087 -10.862 1.00 62.10 O ATOM 873 CB GLU A 57 9.842 -0.657 -13.905 1.00 40.04 C ATOM 874 CG GLU A 57 8.478 -1.233 -14.249 1.00 3.55 C ATOM 875 CD GLU A 57 8.073 -0.958 -15.684 1.00 5.32 C ATOM 876 OE1 GLU A 57 8.895 -1.209 -16.590 1.00 24.41 O ATOM 877 OE2 GLU A 57 6.936 -0.491 -15.901 1.00 71.10 O ATOM 0 H GLU A 57 10.122 -3.212 -13.129 1.00 61.10 H new ATOM 0 HA GLU A 57 11.306 -0.618 -12.331 1.00 50.32 H new ATOM 0 HB2 GLU A 57 9.760 0.427 -13.828 1.00 40.04 H new ATOM 0 HB3 GLU A 57 10.532 -0.867 -14.722 1.00 40.04 H new ATOM 0 HG2 GLU A 57 8.489 -2.310 -14.079 1.00 3.55 H new ATOM 0 HG3 GLU A 57 7.730 -0.812 -13.577 1.00 3.55 H new ATOM 884 N ILE A 58 8.949 0.133 -11.224 1.00 64.34 N ATOM 885 CA ILE A 58 7.965 0.379 -10.178 1.00 23.23 C ATOM 886 C ILE A 58 6.610 0.745 -10.773 1.00 11.43 C ATOM 887 O ILE A 58 6.514 1.623 -11.630 1.00 1.11 O ATOM 888 CB ILE A 58 8.420 1.506 -9.231 1.00 73.25 C ATOM 889 CG1 ILE A 58 9.097 2.625 -10.025 1.00 5.04 C ATOM 890 CG2 ILE A 58 9.360 0.958 -8.169 1.00 23.14 C ATOM 891 CD1 ILE A 58 10.587 2.427 -10.196 1.00 42.15 C ATOM 0 H ILE A 58 9.249 0.969 -11.726 1.00 64.34 H new ATOM 0 HA ILE A 58 7.871 -0.546 -9.609 1.00 23.23 H new ATOM 0 HB ILE A 58 7.543 1.919 -8.733 1.00 73.25 H new ATOM 0 HG12 ILE A 58 8.632 2.694 -11.009 1.00 5.04 H new ATOM 0 HG13 ILE A 58 8.920 3.575 -9.521 1.00 5.04 H new ATOM 0 HG21 ILE A 58 9.673 1.766 -7.508 1.00 23.14 H new ATOM 0 HG22 ILE A 58 8.846 0.192 -7.588 1.00 23.14 H new ATOM 0 HG23 ILE A 58 10.236 0.522 -8.649 1.00 23.14 H new ATOM 0 HD11 ILE A 58 11.001 3.257 -10.768 1.00 42.15 H new ATOM 0 HD12 ILE A 58 11.064 2.388 -9.217 1.00 42.15 H new ATOM 0 HD13 ILE A 58 10.771 1.493 -10.727 1.00 42.15 H new ATOM 903 N MET A 59 5.564 0.068 -10.310 1.00 42.03 N ATOM 904 CA MET A 59 4.213 0.325 -10.795 1.00 31.12 C ATOM 905 C MET A 59 3.654 1.610 -10.192 1.00 45.23 C ATOM 906 O MET A 59 4.174 2.141 -9.210 1.00 60.52 O ATOM 907 CB MET A 59 3.295 -0.851 -10.457 1.00 72.41 C ATOM 908 CG MET A 59 2.969 -1.731 -11.653 1.00 62.03 C ATOM 909 SD MET A 59 1.614 -2.874 -11.326 1.00 74.13 S ATOM 910 CE MET A 59 1.452 -3.673 -12.921 1.00 51.44 C ATOM 0 H MET A 59 5.626 -0.662 -9.600 1.00 42.03 H new ATOM 0 HA MET A 59 4.259 0.442 -11.878 1.00 31.12 H new ATOM 0 HB2 MET A 59 3.767 -1.460 -9.686 1.00 72.41 H new ATOM 0 HB3 MET A 59 2.366 -0.467 -10.035 1.00 72.41 H new ATOM 0 HG2 MET A 59 2.710 -1.100 -12.503 1.00 62.03 H new ATOM 0 HG3 MET A 59 3.857 -2.297 -11.935 1.00 62.03 H new ATOM 0 HE1 MET A 59 0.650 -4.410 -12.879 1.00 51.44 H new ATOM 0 HE2 MET A 59 1.219 -2.926 -13.680 1.00 51.44 H new ATOM 0 HE3 MET A 59 2.388 -4.169 -13.176 1.00 51.44 H new ATOM 920 N PRO A 60 2.571 2.124 -10.793 1.00 0.51 N ATOM 921 CA PRO A 60 1.919 3.354 -10.332 1.00 31.32 C ATOM 922 C PRO A 60 1.210 3.167 -8.995 1.00 1.44 C ATOM 923 O PRO A 60 0.857 4.140 -8.329 1.00 1.13 O ATOM 924 CB PRO A 60 0.904 3.653 -11.438 1.00 0.22 C ATOM 925 CG PRO A 60 0.619 2.330 -12.059 1.00 60.50 C ATOM 926 CD PRO A 60 1.899 1.545 -11.968 1.00 52.20 C ATOM 0 HA PRO A 60 2.636 4.158 -10.164 1.00 31.32 H new ATOM 0 HB2 PRO A 60 -0.002 4.103 -11.032 1.00 0.22 H new ATOM 0 HB3 PRO A 60 1.309 4.354 -12.168 1.00 0.22 H new ATOM 0 HG2 PRO A 60 -0.190 1.820 -11.536 1.00 60.50 H new ATOM 0 HG3 PRO A 60 0.305 2.445 -13.096 1.00 60.50 H new ATOM 0 HD2 PRO A 60 1.709 0.480 -11.838 1.00 52.20 H new ATOM 0 HD3 PRO A 60 2.502 1.653 -12.870 1.00 52.20 H new ATOM 934 N GLU A 61 1.006 1.912 -8.608 1.00 73.01 N ATOM 935 CA GLU A 61 0.338 1.600 -7.350 1.00 23.22 C ATOM 936 C GLU A 61 1.337 1.570 -6.197 1.00 4.23 C ATOM 937 O GLU A 61 0.959 1.681 -5.030 1.00 60.14 O ATOM 938 CB GLU A 61 -0.382 0.254 -7.449 1.00 74.33 C ATOM 939 CG GLU A 61 0.549 -0.943 -7.359 1.00 30.42 C ATOM 940 CD GLU A 61 -0.076 -2.211 -7.907 1.00 60.54 C ATOM 941 OE1 GLU A 61 -0.553 -2.187 -9.061 1.00 35.42 O ATOM 942 OE2 GLU A 61 -0.087 -3.228 -7.182 1.00 60.33 O ATOM 0 H GLU A 61 1.293 1.095 -9.147 1.00 73.01 H new ATOM 0 HA GLU A 61 -0.395 2.383 -7.154 1.00 23.22 H new ATOM 0 HB2 GLU A 61 -1.122 0.188 -6.652 1.00 74.33 H new ATOM 0 HB3 GLU A 61 -0.925 0.211 -8.393 1.00 74.33 H new ATOM 0 HG2 GLU A 61 1.466 -0.728 -7.908 1.00 30.42 H new ATOM 0 HG3 GLU A 61 0.831 -1.102 -6.318 1.00 30.42 H new ATOM 949 N ASP A 62 2.614 1.420 -6.532 1.00 20.42 N ATOM 950 CA ASP A 62 3.669 1.376 -5.526 1.00 34.34 C ATOM 951 C ASP A 62 4.648 2.531 -5.714 1.00 35.54 C ATOM 952 O ASP A 62 4.357 3.496 -6.420 1.00 43.12 O ATOM 953 CB ASP A 62 4.414 0.042 -5.595 1.00 44.24 C ATOM 954 CG ASP A 62 3.576 -1.059 -6.214 1.00 55.54 C ATOM 955 OD1 ASP A 62 2.840 -1.735 -5.466 1.00 61.51 O ATOM 956 OD2 ASP A 62 3.655 -1.244 -7.447 1.00 41.41 O ATOM 0 H ASP A 62 2.944 1.327 -7.493 1.00 20.42 H new ATOM 0 HA ASP A 62 3.205 1.473 -4.544 1.00 34.34 H new ATOM 0 HB2 ASP A 62 5.327 0.169 -6.176 1.00 44.24 H new ATOM 0 HB3 ASP A 62 4.714 -0.255 -4.590 1.00 44.24 H new ATOM 961 N LYS A 63 5.808 2.425 -5.076 1.00 3.34 N ATOM 962 CA LYS A 63 6.831 3.460 -5.172 1.00 23.23 C ATOM 963 C LYS A 63 8.221 2.874 -4.940 1.00 15.34 C ATOM 964 O LYS A 63 8.374 1.666 -4.756 1.00 44.33 O ATOM 965 CB LYS A 63 6.558 4.572 -4.156 1.00 65.41 C ATOM 966 CG LYS A 63 5.388 4.279 -3.233 1.00 61.33 C ATOM 967 CD LYS A 63 5.291 5.302 -2.114 1.00 21.41 C ATOM 968 CE LYS A 63 3.850 5.717 -1.862 1.00 33.34 C ATOM 969 NZ LYS A 63 3.440 6.855 -2.730 1.00 3.11 N ATOM 0 H LYS A 63 6.064 1.633 -4.487 1.00 3.34 H new ATOM 0 HA LYS A 63 6.796 3.879 -6.178 1.00 23.23 H new ATOM 0 HB2 LYS A 63 7.453 4.731 -3.555 1.00 65.41 H new ATOM 0 HB3 LYS A 63 6.364 5.502 -4.691 1.00 65.41 H new ATOM 0 HG2 LYS A 63 4.462 4.278 -3.807 1.00 61.33 H new ATOM 0 HG3 LYS A 63 5.500 3.282 -2.807 1.00 61.33 H new ATOM 0 HD2 LYS A 63 5.716 4.885 -1.201 1.00 21.41 H new ATOM 0 HD3 LYS A 63 5.884 6.180 -2.370 1.00 21.41 H new ATOM 0 HE2 LYS A 63 3.191 4.868 -2.042 1.00 33.34 H new ATOM 0 HE3 LYS A 63 3.731 5.997 -0.815 1.00 33.34 H new ATOM 0 HZ1 LYS A 63 2.452 7.108 -2.528 1.00 3.11 H new ATOM 0 HZ2 LYS A 63 4.052 7.674 -2.541 1.00 3.11 H new ATOM 0 HZ3 LYS A 63 3.529 6.579 -3.729 1.00 3.11 H new ATOM 983 N THR A 64 9.231 3.738 -4.947 1.00 51.51 N ATOM 984 CA THR A 64 10.607 3.307 -4.737 1.00 41.11 C ATOM 985 C THR A 64 11.219 3.994 -3.521 1.00 70.44 C ATOM 986 O THR A 64 11.253 5.222 -3.441 1.00 32.43 O ATOM 987 CB THR A 64 11.482 3.598 -5.971 1.00 54.42 C ATOM 988 OG1 THR A 64 11.668 2.400 -6.733 1.00 50.53 O ATOM 989 CG2 THR A 64 12.834 4.157 -5.556 1.00 43.13 C ATOM 0 H THR A 64 9.122 4.741 -5.096 1.00 51.51 H new ATOM 0 HA THR A 64 10.578 2.231 -4.567 1.00 41.11 H new ATOM 0 HB THR A 64 10.972 4.342 -6.583 1.00 54.42 H new ATOM 0 HG1 THR A 64 12.082 1.714 -6.168 1.00 50.53 H new ATOM 0 HG21 THR A 64 13.434 4.355 -6.444 1.00 43.13 H new ATOM 0 HG22 THR A 64 12.690 5.084 -5.002 1.00 43.13 H new ATOM 0 HG23 THR A 64 13.349 3.433 -4.924 1.00 43.13 H new ATOM 997 N VAL A 65 11.703 3.193 -2.577 1.00 11.33 N ATOM 998 CA VAL A 65 12.316 3.724 -1.365 1.00 52.30 C ATOM 999 C VAL A 65 13.372 4.772 -1.697 1.00 65.23 C ATOM 1000 O VAL A 65 13.428 5.832 -1.075 1.00 64.41 O ATOM 1001 CB VAL A 65 12.963 2.606 -0.527 1.00 22.10 C ATOM 1002 CG1 VAL A 65 13.024 3.004 0.940 1.00 54.32 C ATOM 1003 CG2 VAL A 65 12.202 1.301 -0.702 1.00 72.45 C ATOM 0 H VAL A 65 11.683 2.174 -2.628 1.00 11.33 H new ATOM 0 HA VAL A 65 11.519 4.188 -0.784 1.00 52.30 H new ATOM 0 HB VAL A 65 13.983 2.456 -0.880 1.00 22.10 H new ATOM 0 HG11 VAL A 65 13.484 2.201 1.516 1.00 54.32 H new ATOM 0 HG12 VAL A 65 13.617 3.913 1.046 1.00 54.32 H new ATOM 0 HG13 VAL A 65 12.015 3.184 1.311 1.00 54.32 H new ATOM 0 HG21 VAL A 65 12.673 0.522 -0.103 1.00 72.45 H new ATOM 0 HG22 VAL A 65 11.170 1.435 -0.377 1.00 72.45 H new ATOM 0 HG23 VAL A 65 12.216 1.009 -1.752 1.00 72.45 H new ATOM 1013 N GLY A 66 14.210 4.467 -2.684 1.00 41.42 N ATOM 1014 CA GLY A 66 15.254 5.393 -3.083 1.00 23.00 C ATOM 1015 C GLY A 66 16.426 4.695 -3.745 1.00 11.13 C ATOM 1016 O GLY A 66 16.328 3.529 -4.127 1.00 20.22 O ATOM 0 H GLY A 66 14.184 3.596 -3.214 1.00 41.42 H new ATOM 0 HA2 GLY A 66 14.839 6.130 -3.770 1.00 23.00 H new ATOM 0 HA3 GLY A 66 15.607 5.937 -2.207 1.00 23.00 H new ATOM 1020 N PHE A 67 17.538 5.410 -3.882 1.00 55.24 N ATOM 1021 CA PHE A 67 18.733 4.853 -4.505 1.00 54.24 C ATOM 1022 C PHE A 67 19.947 5.020 -3.597 1.00 45.43 C ATOM 1023 O PHE A 67 20.113 6.052 -2.946 1.00 73.00 O ATOM 1024 CB PHE A 67 18.993 5.528 -5.854 1.00 13.55 C ATOM 1025 CG PHE A 67 19.326 6.989 -5.738 1.00 73.43 C ATOM 1026 CD1 PHE A 67 20.633 7.400 -5.534 1.00 12.44 C ATOM 1027 CD2 PHE A 67 18.332 7.949 -5.835 1.00 50.12 C ATOM 1028 CE1 PHE A 67 20.942 8.743 -5.426 1.00 53.34 C ATOM 1029 CE2 PHE A 67 18.635 9.294 -5.729 1.00 71.42 C ATOM 1030 CZ PHE A 67 19.942 9.691 -5.526 1.00 12.14 C ATOM 0 H PHE A 67 17.636 6.376 -3.570 1.00 55.24 H new ATOM 0 HA PHE A 67 18.566 3.788 -4.666 1.00 54.24 H new ATOM 0 HB2 PHE A 67 19.813 5.015 -6.356 1.00 13.55 H new ATOM 0 HB3 PHE A 67 18.112 5.413 -6.485 1.00 13.55 H new ATOM 0 HD1 PHE A 67 21.419 6.663 -5.459 1.00 12.44 H new ATOM 0 HD2 PHE A 67 17.309 7.643 -5.995 1.00 50.12 H new ATOM 0 HE1 PHE A 67 21.964 9.051 -5.264 1.00 53.34 H new ATOM 0 HE2 PHE A 67 17.851 10.033 -5.805 1.00 71.42 H new ATOM 0 HZ PHE A 67 20.182 10.741 -5.446 1.00 12.14 H new ATOM 1040 N VAL A 68 20.795 3.997 -3.559 1.00 4.31 N ATOM 1041 CA VAL A 68 21.996 4.030 -2.732 1.00 34.22 C ATOM 1042 C VAL A 68 23.255 3.956 -3.588 1.00 20.33 C ATOM 1043 O VAL A 68 23.374 3.099 -4.463 1.00 62.43 O ATOM 1044 CB VAL A 68 22.009 2.871 -1.717 1.00 2.53 C ATOM 1045 CG1 VAL A 68 23.313 2.862 -0.934 1.00 44.31 C ATOM 1046 CG2 VAL A 68 20.816 2.972 -0.779 1.00 33.43 C ATOM 0 H VAL A 68 20.673 3.135 -4.091 1.00 4.31 H new ATOM 0 HA VAL A 68 21.983 4.977 -2.192 1.00 34.22 H new ATOM 0 HB VAL A 68 21.934 1.931 -2.264 1.00 2.53 H new ATOM 0 HG11 VAL A 68 23.304 2.037 -0.222 1.00 44.31 H new ATOM 0 HG12 VAL A 68 24.150 2.739 -1.622 1.00 44.31 H new ATOM 0 HG13 VAL A 68 23.421 3.804 -0.396 1.00 44.31 H new ATOM 0 HG21 VAL A 68 20.841 2.146 -0.069 1.00 33.43 H new ATOM 0 HG22 VAL A 68 20.858 3.917 -0.238 1.00 33.43 H new ATOM 0 HG23 VAL A 68 19.893 2.926 -1.358 1.00 33.43 H new ATOM 1056 N VAL A 69 24.194 4.860 -3.328 1.00 62.14 N ATOM 1057 CA VAL A 69 25.447 4.897 -4.074 1.00 32.42 C ATOM 1058 C VAL A 69 26.604 4.376 -3.229 1.00 63.44 C ATOM 1059 O VAL A 69 26.923 4.936 -2.181 1.00 24.03 O ATOM 1060 CB VAL A 69 25.775 6.324 -4.550 1.00 11.20 C ATOM 1061 CG1 VAL A 69 27.012 6.321 -5.434 1.00 44.04 C ATOM 1062 CG2 VAL A 69 24.587 6.927 -5.284 1.00 35.12 C ATOM 0 H VAL A 69 24.111 5.576 -2.607 1.00 62.14 H new ATOM 0 HA VAL A 69 25.317 4.253 -4.944 1.00 32.42 H new ATOM 0 HB VAL A 69 25.984 6.941 -3.676 1.00 11.20 H new ATOM 0 HG11 VAL A 69 27.228 7.338 -5.761 1.00 44.04 H new ATOM 0 HG12 VAL A 69 27.861 5.933 -4.871 1.00 44.04 H new ATOM 0 HG13 VAL A 69 26.835 5.690 -6.305 1.00 44.04 H new ATOM 0 HG21 VAL A 69 24.837 7.936 -5.613 1.00 35.12 H new ATOM 0 HG22 VAL A 69 24.344 6.312 -6.151 1.00 35.12 H new ATOM 0 HG23 VAL A 69 23.728 6.966 -4.615 1.00 35.12 H new ATOM 1072 N VAL A 70 27.231 3.299 -3.694 1.00 11.22 N ATOM 1073 CA VAL A 70 28.355 2.703 -2.982 1.00 70.44 C ATOM 1074 C VAL A 70 29.579 2.592 -3.884 1.00 25.21 C ATOM 1075 O VAL A 70 29.564 1.875 -4.883 1.00 61.52 O ATOM 1076 CB VAL A 70 28.000 1.304 -2.444 1.00 14.14 C ATOM 1077 CG1 VAL A 70 29.185 0.698 -1.708 1.00 0.01 C ATOM 1078 CG2 VAL A 70 26.780 1.377 -1.537 1.00 71.15 C ATOM 0 H VAL A 70 26.979 2.822 -4.560 1.00 11.22 H new ATOM 0 HA VAL A 70 28.583 3.360 -2.143 1.00 70.44 H new ATOM 0 HB VAL A 70 27.759 0.659 -3.289 1.00 14.14 H new ATOM 0 HG11 VAL A 70 28.915 -0.290 -1.335 1.00 0.01 H new ATOM 0 HG12 VAL A 70 30.031 0.610 -2.390 1.00 0.01 H new ATOM 0 HG13 VAL A 70 29.460 1.339 -0.870 1.00 0.01 H new ATOM 0 HG21 VAL A 70 26.543 0.380 -1.165 1.00 71.15 H new ATOM 0 HG22 VAL A 70 26.991 2.037 -0.696 1.00 71.15 H new ATOM 0 HG23 VAL A 70 25.931 1.766 -2.099 1.00 71.15 H new ATOM 1088 N ASN A 71 30.640 3.307 -3.523 1.00 11.12 N ATOM 1089 CA ASN A 71 31.874 3.289 -4.299 1.00 42.34 C ATOM 1090 C ASN A 71 33.043 2.797 -3.452 1.00 22.03 C ATOM 1091 O ASN A 71 33.486 3.481 -2.530 1.00 44.50 O ATOM 1092 CB ASN A 71 32.178 4.686 -4.845 1.00 41.01 C ATOM 1093 CG ASN A 71 31.012 5.271 -5.617 1.00 55.43 C ATOM 1094 OD1 ASN A 71 30.752 4.887 -6.758 1.00 4.21 O ATOM 1095 ND2 ASN A 71 30.301 6.207 -4.997 1.00 64.42 N ATOM 0 H ASN A 71 30.669 3.906 -2.698 1.00 11.12 H new ATOM 0 HA ASN A 71 31.739 2.601 -5.134 1.00 42.34 H new ATOM 0 HB2 ASN A 71 32.432 5.349 -4.018 1.00 41.01 H new ATOM 0 HB3 ASN A 71 33.052 4.637 -5.494 1.00 41.01 H new ATOM 0 HD21 ASN A 71 29.504 6.637 -5.467 1.00 64.42 H new ATOM 0 HD22 ASN A 71 30.552 6.495 -4.051 1.00 64.42 H new ATOM 1102 N ALA A 72 33.538 1.606 -3.771 1.00 21.41 N ATOM 1103 CA ALA A 72 34.657 1.023 -3.041 1.00 60.40 C ATOM 1104 C ALA A 72 35.950 1.783 -3.319 1.00 35.41 C ATOM 1105 O ALA A 72 36.794 1.933 -2.436 1.00 44.12 O ATOM 1106 CB ALA A 72 34.817 -0.446 -3.405 1.00 42.15 C ATOM 0 H ALA A 72 33.182 1.026 -4.530 1.00 21.41 H new ATOM 0 HA ALA A 72 34.443 1.101 -1.975 1.00 60.40 H new ATOM 0 HB1 ALA A 72 35.656 -0.868 -2.852 1.00 42.15 H new ATOM 0 HB2 ALA A 72 33.905 -0.986 -3.149 1.00 42.15 H new ATOM 0 HB3 ALA A 72 35.004 -0.537 -4.475 1.00 42.15 H new ATOM 1112 N ASP A 73 36.097 2.259 -4.550 1.00 61.33 N ATOM 1113 CA ASP A 73 37.287 3.004 -4.944 1.00 62.24 C ATOM 1114 C ASP A 73 37.456 4.253 -4.085 1.00 20.54 C ATOM 1115 O ASP A 73 38.574 4.633 -3.735 1.00 72.24 O ATOM 1116 CB ASP A 73 37.205 3.393 -6.421 1.00 41.51 C ATOM 1117 CG ASP A 73 38.042 4.616 -6.745 1.00 32.43 C ATOM 1118 OD1 ASP A 73 39.286 4.502 -6.738 1.00 53.24 O ATOM 1119 OD2 ASP A 73 37.453 5.685 -7.005 1.00 51.40 O ATOM 0 H ASP A 73 35.407 2.142 -5.292 1.00 61.33 H new ATOM 0 HA ASP A 73 38.154 2.361 -4.793 1.00 62.24 H new ATOM 0 HB2 ASP A 73 37.539 2.555 -7.033 1.00 41.51 H new ATOM 0 HB3 ASP A 73 36.166 3.587 -6.685 1.00 41.51 H new ATOM 1124 N LYS A 74 36.339 4.888 -3.747 1.00 72.31 N ATOM 1125 CA LYS A 74 36.361 6.094 -2.928 1.00 65.20 C ATOM 1126 C LYS A 74 36.180 5.753 -1.452 1.00 73.14 C ATOM 1127 O LYS A 74 36.447 6.576 -0.577 1.00 15.32 O ATOM 1128 CB LYS A 74 35.264 7.061 -3.378 1.00 2.12 C ATOM 1129 CG LYS A 74 35.567 7.754 -4.695 1.00 10.41 C ATOM 1130 CD LYS A 74 34.402 8.616 -5.153 1.00 33.54 C ATOM 1131 CE LYS A 74 34.787 9.493 -6.334 1.00 22.13 C ATOM 1132 NZ LYS A 74 33.797 10.582 -6.562 1.00 62.33 N ATOM 0 H LYS A 74 35.406 4.587 -4.028 1.00 72.31 H new ATOM 0 HA LYS A 74 37.332 6.572 -3.055 1.00 65.20 H new ATOM 0 HB2 LYS A 74 34.326 6.514 -3.472 1.00 2.12 H new ATOM 0 HB3 LYS A 74 35.117 7.816 -2.605 1.00 2.12 H new ATOM 0 HG2 LYS A 74 36.457 8.373 -4.585 1.00 10.41 H new ATOM 0 HG3 LYS A 74 35.790 7.007 -5.457 1.00 10.41 H new ATOM 0 HD2 LYS A 74 33.563 7.978 -5.431 1.00 33.54 H new ATOM 0 HD3 LYS A 74 34.066 9.243 -4.327 1.00 33.54 H new ATOM 0 HE2 LYS A 74 35.771 9.928 -6.158 1.00 22.13 H new ATOM 0 HE3 LYS A 74 34.865 8.880 -7.232 1.00 22.13 H new ATOM 0 HZ1 LYS A 74 34.095 11.157 -7.375 1.00 62.33 H new ATOM 0 HZ2 LYS A 74 32.863 10.167 -6.755 1.00 62.33 H new ATOM 0 HZ3 LYS A 74 33.741 11.183 -5.715 1.00 62.33 H new ATOM 1146 N LYS A 75 35.725 4.534 -1.183 1.00 65.32 N ATOM 1147 CA LYS A 75 35.511 4.082 0.186 1.00 34.14 C ATOM 1148 C LYS A 75 34.404 4.889 0.858 1.00 20.32 C ATOM 1149 O LYS A 75 34.508 5.247 2.032 1.00 20.11 O ATOM 1150 CB LYS A 75 36.805 4.201 0.994 1.00 42.13 C ATOM 1151 CG LYS A 75 37.045 3.034 1.935 1.00 35.43 C ATOM 1152 CD LYS A 75 38.509 2.923 2.326 1.00 51.23 C ATOM 1153 CE LYS A 75 39.288 2.075 1.333 1.00 70.44 C ATOM 1154 NZ LYS A 75 39.119 0.618 1.595 1.00 55.44 N ATOM 0 H LYS A 75 35.497 3.841 -1.896 1.00 65.32 H new ATOM 0 HA LYS A 75 35.206 3.036 0.153 1.00 34.14 H new ATOM 0 HB2 LYS A 75 37.647 4.281 0.306 1.00 42.13 H new ATOM 0 HB3 LYS A 75 36.778 5.124 1.573 1.00 42.13 H new ATOM 0 HG2 LYS A 75 36.437 3.157 2.831 1.00 35.43 H new ATOM 0 HG3 LYS A 75 36.724 2.108 1.457 1.00 35.43 H new ATOM 0 HD2 LYS A 75 38.949 3.919 2.379 1.00 51.23 H new ATOM 0 HD3 LYS A 75 38.589 2.485 3.321 1.00 51.23 H new ATOM 0 HE2 LYS A 75 38.955 2.303 0.321 1.00 70.44 H new ATOM 0 HE3 LYS A 75 40.346 2.333 1.386 1.00 70.44 H new ATOM 0 HZ1 LYS A 75 39.665 0.074 0.897 1.00 55.44 H new ATOM 0 HZ2 LYS A 75 39.461 0.395 2.552 1.00 55.44 H new ATOM 0 HZ3 LYS A 75 38.113 0.366 1.519 1.00 55.44 H new ATOM 1168 N LEU A 76 33.345 5.171 0.108 1.00 72.53 N ATOM 1169 CA LEU A 76 32.217 5.934 0.631 1.00 24.04 C ATOM 1170 C LEU A 76 30.893 5.353 0.145 1.00 45.44 C ATOM 1171 O LEU A 76 30.822 4.764 -0.933 1.00 50.45 O ATOM 1172 CB LEU A 76 32.330 7.400 0.211 1.00 53.43 C ATOM 1173 CG LEU A 76 33.043 7.665 -1.115 1.00 43.45 C ATOM 1174 CD1 LEU A 76 32.182 7.215 -2.285 1.00 34.43 C ATOM 1175 CD2 LEU A 76 33.394 9.140 -1.247 1.00 3.32 C ATOM 0 H LEU A 76 33.243 4.883 -0.865 1.00 72.53 H new ATOM 0 HA LEU A 76 32.241 5.871 1.719 1.00 24.04 H new ATOM 0 HB2 LEU A 76 31.325 7.818 0.150 1.00 53.43 H new ATOM 0 HB3 LEU A 76 32.854 7.943 0.997 1.00 53.43 H new ATOM 0 HG LEU A 76 33.968 7.088 -1.128 1.00 43.45 H new ATOM 0 HD11 LEU A 76 32.707 7.412 -3.220 1.00 34.43 H new ATOM 0 HD12 LEU A 76 31.981 6.147 -2.200 1.00 34.43 H new ATOM 0 HD13 LEU A 76 31.240 7.763 -2.275 1.00 34.43 H new ATOM 0 HD21 LEU A 76 33.901 9.310 -2.197 1.00 3.32 H new ATOM 0 HD22 LEU A 76 32.482 9.736 -1.211 1.00 3.32 H new ATOM 0 HD23 LEU A 76 34.051 9.432 -0.428 1.00 3.32 H new ATOM 1187 N MET A 77 29.847 5.526 0.946 1.00 64.11 N ATOM 1188 CA MET A 77 28.525 5.022 0.595 1.00 72.14 C ATOM 1189 C MET A 77 27.436 5.984 1.058 1.00 34.11 C ATOM 1190 O MET A 77 27.390 6.368 2.227 1.00 52.14 O ATOM 1191 CB MET A 77 28.300 3.642 1.215 1.00 22.41 C ATOM 1192 CG MET A 77 26.837 3.326 1.481 1.00 23.31 C ATOM 1193 SD MET A 77 26.587 1.642 2.076 1.00 64.25 S ATOM 1194 CE MET A 77 24.837 1.428 1.762 1.00 50.35 C ATOM 0 H MET A 77 29.889 6.011 1.842 1.00 64.11 H new ATOM 0 HA MET A 77 28.473 4.937 -0.490 1.00 72.14 H new ATOM 0 HB2 MET A 77 28.712 2.883 0.550 1.00 22.41 H new ATOM 0 HB3 MET A 77 28.853 3.579 2.152 1.00 22.41 H new ATOM 0 HG2 MET A 77 26.445 4.029 2.216 1.00 23.31 H new ATOM 0 HG3 MET A 77 26.265 3.472 0.565 1.00 23.31 H new ATOM 0 HE1 MET A 77 24.410 0.768 2.517 1.00 50.35 H new ATOM 0 HE2 MET A 77 24.339 2.397 1.803 1.00 50.35 H new ATOM 0 HE3 MET A 77 24.696 0.989 0.775 1.00 50.35 H new ATOM 1204 N SER A 78 26.561 6.370 0.135 1.00 73.43 N ATOM 1205 CA SER A 78 25.474 7.290 0.448 1.00 2.23 C ATOM 1206 C SER A 78 24.121 6.663 0.126 1.00 10.34 C ATOM 1207 O SER A 78 23.949 6.030 -0.915 1.00 63.40 O ATOM 1208 CB SER A 78 25.643 8.596 -0.331 1.00 74.33 C ATOM 1209 OG SER A 78 26.916 9.171 -0.094 1.00 32.21 O ATOM 0 H SER A 78 26.584 6.060 -0.836 1.00 73.43 H new ATOM 0 HA SER A 78 25.509 7.505 1.516 1.00 2.23 H new ATOM 0 HB2 SER A 78 25.519 8.406 -1.397 1.00 74.33 H new ATOM 0 HB3 SER A 78 24.863 9.300 -0.040 1.00 74.33 H new ATOM 0 HG SER A 78 26.999 10.003 -0.605 1.00 32.21 H new ATOM 1215 N VAL A 79 23.162 6.845 1.029 1.00 51.13 N ATOM 1216 CA VAL A 79 21.823 6.299 0.842 1.00 40.11 C ATOM 1217 C VAL A 79 20.783 7.411 0.758 1.00 31.44 C ATOM 1218 O VAL A 79 20.606 8.181 1.702 1.00 52.21 O ATOM 1219 CB VAL A 79 21.443 5.340 1.986 1.00 41.40 C ATOM 1220 CG1 VAL A 79 20.020 4.834 1.808 1.00 60.30 C ATOM 1221 CG2 VAL A 79 22.426 4.181 2.058 1.00 54.25 C ATOM 0 H VAL A 79 23.288 7.366 1.897 1.00 51.13 H new ATOM 0 HA VAL A 79 21.835 5.745 -0.097 1.00 40.11 H new ATOM 0 HB VAL A 79 21.493 5.887 2.928 1.00 41.40 H new ATOM 0 HG11 VAL A 79 19.769 4.158 2.625 1.00 60.30 H new ATOM 0 HG12 VAL A 79 19.331 5.678 1.811 1.00 60.30 H new ATOM 0 HG13 VAL A 79 19.939 4.303 0.860 1.00 60.30 H new ATOM 0 HG21 VAL A 79 22.142 3.513 2.872 1.00 54.25 H new ATOM 0 HG22 VAL A 79 22.411 3.632 1.116 1.00 54.25 H new ATOM 0 HG23 VAL A 79 23.430 4.566 2.238 1.00 54.25 H new ATOM 1231 N SER A 80 20.097 7.487 -0.377 1.00 54.33 N ATOM 1232 CA SER A 80 19.075 8.507 -0.586 1.00 4.11 C ATOM 1233 C SER A 80 17.698 7.871 -0.749 1.00 1.35 C ATOM 1234 O SER A 80 17.465 7.097 -1.677 1.00 33.12 O ATOM 1235 CB SER A 80 19.410 9.349 -1.819 1.00 13.12 C ATOM 1236 OG SER A 80 18.258 10.011 -2.312 1.00 73.42 O ATOM 0 H SER A 80 20.230 6.855 -1.166 1.00 54.33 H new ATOM 0 HA SER A 80 19.056 9.153 0.292 1.00 4.11 H new ATOM 0 HB2 SER A 80 20.175 10.083 -1.565 1.00 13.12 H new ATOM 0 HB3 SER A 80 19.827 8.710 -2.597 1.00 13.12 H new ATOM 0 HG SER A 80 18.220 9.919 -3.287 1.00 73.42 H new ATOM 1242 N PHE A 81 16.789 8.204 0.161 1.00 14.34 N ATOM 1243 CA PHE A 81 15.434 7.666 0.121 1.00 71.01 C ATOM 1244 C PHE A 81 14.406 8.758 0.403 1.00 61.03 C ATOM 1245 O PHE A 81 14.700 9.741 1.082 1.00 12.42 O ATOM 1246 CB PHE A 81 15.282 6.533 1.137 1.00 22.54 C ATOM 1247 CG PHE A 81 15.867 6.852 2.484 1.00 53.35 C ATOM 1248 CD1 PHE A 81 15.301 7.831 3.284 1.00 11.42 C ATOM 1249 CD2 PHE A 81 16.981 6.174 2.948 1.00 25.45 C ATOM 1250 CE1 PHE A 81 15.837 8.128 4.523 1.00 43.11 C ATOM 1251 CE2 PHE A 81 17.522 6.466 4.187 1.00 61.34 C ATOM 1252 CZ PHE A 81 16.948 7.444 4.975 1.00 25.42 C ATOM 0 H PHE A 81 16.966 8.844 0.935 1.00 14.34 H new ATOM 0 HA PHE A 81 15.256 7.273 -0.880 1.00 71.01 H new ATOM 0 HB2 PHE A 81 14.223 6.302 1.255 1.00 22.54 H new ATOM 0 HB3 PHE A 81 15.762 5.637 0.744 1.00 22.54 H new ATOM 0 HD1 PHE A 81 14.431 8.368 2.936 1.00 11.42 H new ATOM 0 HD2 PHE A 81 17.433 5.408 2.335 1.00 25.45 H new ATOM 0 HE1 PHE A 81 15.387 8.894 5.137 1.00 43.11 H new ATOM 0 HE2 PHE A 81 18.392 5.930 4.537 1.00 61.34 H new ATOM 0 HZ PHE A 81 17.367 7.674 5.943 1.00 25.42 H new ATOM 1262 N SER A 82 13.200 8.577 -0.125 1.00 53.33 N ATOM 1263 CA SER A 82 12.129 9.548 0.065 1.00 13.50 C ATOM 1264 C SER A 82 11.293 9.202 1.294 1.00 42.03 C ATOM 1265 O SER A 82 11.469 8.145 1.899 1.00 33.43 O ATOM 1266 CB SER A 82 11.234 9.603 -1.175 1.00 64.41 C ATOM 1267 OG SER A 82 12.000 9.825 -2.347 1.00 11.44 O ATOM 0 H SER A 82 12.940 7.767 -0.688 1.00 53.33 H new ATOM 0 HA SER A 82 12.584 10.526 0.220 1.00 13.50 H new ATOM 0 HB2 SER A 82 10.681 8.669 -1.270 1.00 64.41 H new ATOM 0 HB3 SER A 82 10.498 10.399 -1.061 1.00 64.41 H new ATOM 0 HG SER A 82 11.406 9.854 -3.126 1.00 11.44 H new ATOM 1273 N ASP A 83 10.384 10.101 1.656 1.00 65.23 N ATOM 1274 CA ASP A 83 9.520 9.891 2.811 1.00 0.34 C ATOM 1275 C ASP A 83 9.156 8.417 2.958 1.00 50.14 C ATOM 1276 O ASP A 83 8.251 7.922 2.286 1.00 74.12 O ATOM 1277 CB ASP A 83 8.249 10.733 2.684 1.00 44.01 C ATOM 1278 CG ASP A 83 8.135 11.778 3.777 1.00 72.52 C ATOM 1279 OD1 ASP A 83 8.551 11.490 4.919 1.00 44.23 O ATOM 1280 OD2 ASP A 83 7.629 12.883 3.490 1.00 63.40 O ATOM 0 H ASP A 83 10.227 10.982 1.166 1.00 65.23 H new ATOM 0 HA ASP A 83 10.065 10.202 3.702 1.00 0.34 H new ATOM 0 HB2 ASP A 83 8.239 11.226 1.712 1.00 44.01 H new ATOM 0 HB3 ASP A 83 7.378 10.078 2.719 1.00 44.01 H new ATOM 1285 N ILE A 84 9.868 7.722 3.838 1.00 34.23 N ATOM 1286 CA ILE A 84 9.619 6.305 4.072 1.00 20.30 C ATOM 1287 C ILE A 84 9.368 6.027 5.550 1.00 12.12 C ATOM 1288 O ILE A 84 9.900 6.716 6.421 1.00 63.31 O ATOM 1289 CB ILE A 84 10.799 5.439 3.592 1.00 3.42 C ATOM 1290 CG1 ILE A 84 12.117 5.982 4.149 1.00 21.44 C ATOM 1291 CG2 ILE A 84 10.839 5.394 2.072 1.00 44.40 C ATOM 1292 CD1 ILE A 84 13.154 4.909 4.401 1.00 53.01 C ATOM 0 H ILE A 84 10.622 8.117 4.401 1.00 34.23 H new ATOM 0 HA ILE A 84 8.729 6.043 3.499 1.00 20.30 H new ATOM 0 HB ILE A 84 10.660 4.423 3.962 1.00 3.42 H new ATOM 0 HG12 ILE A 84 12.524 6.712 3.450 1.00 21.44 H new ATOM 0 HG13 ILE A 84 11.918 6.510 5.082 1.00 21.44 H new ATOM 0 HG21 ILE A 84 11.678 4.778 1.748 1.00 44.40 H new ATOM 0 HG22 ILE A 84 9.909 4.967 1.696 1.00 44.40 H new ATOM 0 HG23 ILE A 84 10.958 6.404 1.681 1.00 44.40 H new ATOM 0 HD11 ILE A 84 14.062 5.366 4.795 1.00 53.01 H new ATOM 0 HD12 ILE A 84 12.766 4.191 5.123 1.00 53.01 H new ATOM 0 HD13 ILE A 84 13.382 4.397 3.466 1.00 53.01 H new ATOM 1304 N ASP A 85 8.555 5.013 5.826 1.00 11.42 N ATOM 1305 CA ASP A 85 8.235 4.642 7.200 1.00 71.03 C ATOM 1306 C ASP A 85 9.504 4.339 7.990 1.00 32.23 C ATOM 1307 O ASP A 85 10.556 4.070 7.413 1.00 44.04 O ATOM 1308 CB ASP A 85 7.305 3.428 7.219 1.00 71.23 C ATOM 1309 CG ASP A 85 6.234 3.535 8.287 1.00 43.33 C ATOM 1310 OD1 ASP A 85 5.254 4.278 8.071 1.00 61.01 O ATOM 1311 OD2 ASP A 85 6.377 2.877 9.339 1.00 41.41 O ATOM 0 H ASP A 85 8.106 4.433 5.117 1.00 11.42 H new ATOM 0 HA ASP A 85 7.729 5.485 7.670 1.00 71.03 H new ATOM 0 HB2 ASP A 85 6.831 3.322 6.243 1.00 71.23 H new ATOM 0 HB3 ASP A 85 7.893 2.526 7.388 1.00 71.23 H new ATOM 1316 N GLU A 86 9.395 4.385 9.314 1.00 3.55 N ATOM 1317 CA GLU A 86 10.535 4.118 10.183 1.00 22.45 C ATOM 1318 C GLU A 86 10.891 2.634 10.172 1.00 31.44 C ATOM 1319 O GLU A 86 12.041 2.259 10.394 1.00 24.22 O ATOM 1320 CB GLU A 86 10.232 4.570 11.613 1.00 21.04 C ATOM 1321 CG GLU A 86 9.116 3.782 12.278 1.00 71.54 C ATOM 1322 CD GLU A 86 8.773 4.306 13.659 1.00 61.25 C ATOM 1323 OE1 GLU A 86 9.222 5.421 13.997 1.00 13.11 O ATOM 1324 OE2 GLU A 86 8.057 3.601 14.400 1.00 2.34 O ATOM 0 H GLU A 86 8.530 4.604 9.808 1.00 3.55 H new ATOM 0 HA GLU A 86 11.388 4.682 9.805 1.00 22.45 H new ATOM 0 HB2 GLU A 86 11.137 4.478 12.213 1.00 21.04 H new ATOM 0 HB3 GLU A 86 9.962 5.626 11.602 1.00 21.04 H new ATOM 0 HG2 GLU A 86 8.227 3.818 11.649 1.00 71.54 H new ATOM 0 HG3 GLU A 86 9.411 2.735 12.354 1.00 71.54 H new ATOM 1331 N ASN A 87 9.894 1.794 9.913 1.00 13.11 N ATOM 1332 CA ASN A 87 10.100 0.351 9.874 1.00 22.12 C ATOM 1333 C ASN A 87 11.137 -0.022 8.819 1.00 3.02 C ATOM 1334 O ASN A 87 12.082 -0.760 9.097 1.00 72.53 O ATOM 1335 CB ASN A 87 8.780 -0.366 9.584 1.00 63.42 C ATOM 1336 CG ASN A 87 7.982 -0.641 10.844 1.00 50.33 C ATOM 1337 OD1 ASN A 87 7.152 0.170 11.255 1.00 2.40 O ATOM 1338 ND2 ASN A 87 8.230 -1.789 11.463 1.00 3.10 N ATOM 0 H ASN A 87 8.935 2.088 9.727 1.00 13.11 H new ATOM 0 HA ASN A 87 10.470 0.035 10.849 1.00 22.12 H new ATOM 0 HB2 ASN A 87 8.182 0.241 8.904 1.00 63.42 H new ATOM 0 HB3 ASN A 87 8.985 -1.308 9.075 1.00 63.42 H new ATOM 0 HD21 ASN A 87 7.724 -2.029 12.315 1.00 3.10 H new ATOM 0 HD22 ASN A 87 8.927 -2.431 11.086 1.00 3.10 H new ATOM 1345 N MET A 88 10.954 0.495 7.609 1.00 60.24 N ATOM 1346 CA MET A 88 11.875 0.218 6.512 1.00 30.44 C ATOM 1347 C MET A 88 13.182 0.982 6.694 1.00 3.21 C ATOM 1348 O MET A 88 14.263 0.458 6.423 1.00 10.04 O ATOM 1349 CB MET A 88 11.235 0.590 5.174 1.00 73.34 C ATOM 1350 CG MET A 88 10.623 1.981 5.159 1.00 54.04 C ATOM 1351 SD MET A 88 8.900 1.976 4.626 1.00 41.32 S ATOM 1352 CE MET A 88 9.010 0.990 3.135 1.00 74.02 C ATOM 0 H MET A 88 10.177 1.108 7.363 1.00 60.24 H new ATOM 0 HA MET A 88 12.095 -0.850 6.516 1.00 30.44 H new ATOM 0 HB2 MET A 88 11.989 0.525 4.389 1.00 73.34 H new ATOM 0 HB3 MET A 88 10.462 -0.141 4.935 1.00 73.34 H new ATOM 0 HG2 MET A 88 10.689 2.414 6.157 1.00 54.04 H new ATOM 0 HG3 MET A 88 11.203 2.622 4.495 1.00 54.04 H new ATOM 0 HE1 MET A 88 8.122 1.154 2.524 1.00 74.02 H new ATOM 0 HE2 MET A 88 9.897 1.280 2.571 1.00 74.02 H new ATOM 0 HE3 MET A 88 9.078 -0.065 3.401 1.00 74.02 H new ATOM 1362 N LYS A 89 13.077 2.224 7.154 1.00 50.44 N ATOM 1363 CA LYS A 89 14.250 3.062 7.373 1.00 64.33 C ATOM 1364 C LYS A 89 15.283 2.337 8.230 1.00 3.41 C ATOM 1365 O LYS A 89 16.488 2.461 8.006 1.00 33.44 O ATOM 1366 CB LYS A 89 13.846 4.376 8.044 1.00 3.30 C ATOM 1367 CG LYS A 89 14.950 5.420 8.052 1.00 21.41 C ATOM 1368 CD LYS A 89 14.454 6.752 8.587 1.00 12.34 C ATOM 1369 CE LYS A 89 13.442 7.389 7.647 1.00 62.11 C ATOM 1370 NZ LYS A 89 13.321 8.856 7.873 1.00 32.33 N ATOM 0 H LYS A 89 12.190 2.673 7.383 1.00 50.44 H new ATOM 0 HA LYS A 89 14.697 3.280 6.403 1.00 64.33 H new ATOM 0 HB2 LYS A 89 12.976 4.784 7.530 1.00 3.30 H new ATOM 0 HB3 LYS A 89 13.543 4.172 9.071 1.00 3.30 H new ATOM 0 HG2 LYS A 89 15.781 5.068 8.664 1.00 21.41 H new ATOM 0 HG3 LYS A 89 15.333 5.553 7.040 1.00 21.41 H new ATOM 0 HD2 LYS A 89 14.000 6.605 9.567 1.00 12.34 H new ATOM 0 HD3 LYS A 89 15.299 7.427 8.725 1.00 12.34 H new ATOM 0 HE2 LYS A 89 13.739 7.204 6.615 1.00 62.11 H new ATOM 0 HE3 LYS A 89 12.469 6.918 7.788 1.00 62.11 H new ATOM 0 HZ1 LYS A 89 12.622 9.252 7.213 1.00 32.33 H new ATOM 0 HZ2 LYS A 89 13.013 9.032 8.851 1.00 32.33 H new ATOM 0 HZ3 LYS A 89 14.243 9.309 7.713 1.00 32.33 H new ATOM 1384 N LYS A 90 14.805 1.580 9.212 1.00 53.53 N ATOM 1385 CA LYS A 90 15.686 0.833 10.101 1.00 13.45 C ATOM 1386 C LYS A 90 16.585 -0.111 9.310 1.00 42.51 C ATOM 1387 O LYS A 90 17.782 -0.216 9.580 1.00 73.01 O ATOM 1388 CB LYS A 90 14.863 0.038 11.118 1.00 51.23 C ATOM 1389 CG LYS A 90 15.501 -0.033 12.494 1.00 30.32 C ATOM 1390 CD LYS A 90 16.630 -1.049 12.533 1.00 24.02 C ATOM 1391 CE LYS A 90 16.963 -1.458 13.960 1.00 43.11 C ATOM 1392 NZ LYS A 90 18.358 -1.964 14.081 1.00 65.34 N ATOM 0 H LYS A 90 13.811 1.468 9.412 1.00 53.53 H new ATOM 0 HA LYS A 90 16.316 1.547 10.631 1.00 13.45 H new ATOM 0 HB2 LYS A 90 13.876 0.491 11.207 1.00 51.23 H new ATOM 0 HB3 LYS A 90 14.716 -0.975 10.742 1.00 51.23 H new ATOM 0 HG2 LYS A 90 15.885 0.949 12.769 1.00 30.32 H new ATOM 0 HG3 LYS A 90 14.745 -0.299 13.233 1.00 30.32 H new ATOM 0 HD2 LYS A 90 16.348 -1.930 11.957 1.00 24.02 H new ATOM 0 HD3 LYS A 90 17.516 -0.628 12.058 1.00 24.02 H new ATOM 0 HE2 LYS A 90 16.828 -0.604 14.623 1.00 43.11 H new ATOM 0 HE3 LYS A 90 16.267 -2.230 14.288 1.00 43.11 H new ATOM 0 HZ1 LYS A 90 18.546 -2.232 15.068 1.00 65.34 H new ATOM 0 HZ2 LYS A 90 18.480 -2.795 13.467 1.00 65.34 H new ATOM 0 HZ3 LYS A 90 19.024 -1.219 13.792 1.00 65.34 H new ATOM 1406 N VAL A 91 16.002 -0.794 8.330 1.00 31.24 N ATOM 1407 CA VAL A 91 16.751 -1.727 7.498 1.00 65.32 C ATOM 1408 C VAL A 91 17.764 -0.994 6.625 1.00 21.04 C ATOM 1409 O VAL A 91 18.868 -1.487 6.390 1.00 12.12 O ATOM 1410 CB VAL A 91 15.814 -2.552 6.595 1.00 4.32 C ATOM 1411 CG1 VAL A 91 14.440 -2.686 7.233 1.00 1.21 C ATOM 1412 CG2 VAL A 91 15.711 -1.919 5.216 1.00 45.13 C ATOM 0 H VAL A 91 15.013 -0.718 8.093 1.00 31.24 H new ATOM 0 HA VAL A 91 17.278 -2.401 8.174 1.00 65.32 H new ATOM 0 HB VAL A 91 16.234 -3.551 6.481 1.00 4.32 H new ATOM 0 HG11 VAL A 91 13.792 -3.272 6.581 1.00 1.21 H new ATOM 0 HG12 VAL A 91 14.534 -3.187 8.197 1.00 1.21 H new ATOM 0 HG13 VAL A 91 14.009 -1.696 7.379 1.00 1.21 H new ATOM 0 HG21 VAL A 91 15.045 -2.514 4.591 1.00 45.13 H new ATOM 0 HG22 VAL A 91 15.314 -0.908 5.308 1.00 45.13 H new ATOM 0 HG23 VAL A 91 16.700 -1.880 4.759 1.00 45.13 H new ATOM 1422 N ILE A 92 17.382 0.186 6.149 1.00 74.33 N ATOM 1423 CA ILE A 92 18.257 0.988 5.303 1.00 21.14 C ATOM 1424 C ILE A 92 19.484 1.462 6.076 1.00 73.24 C ATOM 1425 O ILE A 92 20.613 1.356 5.596 1.00 54.44 O ATOM 1426 CB ILE A 92 17.520 2.213 4.731 1.00 13.04 C ATOM 1427 CG1 ILE A 92 16.126 1.814 4.241 1.00 64.20 C ATOM 1428 CG2 ILE A 92 18.326 2.837 3.602 1.00 30.12 C ATOM 1429 CD1 ILE A 92 15.471 2.859 3.366 1.00 44.24 C ATOM 0 H ILE A 92 16.472 0.608 6.335 1.00 74.33 H new ATOM 0 HA ILE A 92 18.573 0.348 4.479 1.00 21.14 H new ATOM 0 HB ILE A 92 17.408 2.954 5.523 1.00 13.04 H new ATOM 0 HG12 ILE A 92 16.199 0.880 3.684 1.00 64.20 H new ATOM 0 HG13 ILE A 92 15.488 1.622 5.103 1.00 64.20 H new ATOM 0 HG21 ILE A 92 17.792 3.702 3.208 1.00 30.12 H new ATOM 0 HG22 ILE A 92 19.298 3.153 3.980 1.00 30.12 H new ATOM 0 HG23 ILE A 92 18.466 2.104 2.807 1.00 30.12 H new ATOM 0 HD11 ILE A 92 14.487 2.509 3.056 1.00 44.24 H new ATOM 0 HD12 ILE A 92 15.366 3.788 3.926 1.00 44.24 H new ATOM 0 HD13 ILE A 92 16.088 3.034 2.485 1.00 44.24 H new ATOM 1441 N LYS A 93 19.255 1.983 7.276 1.00 21.03 N ATOM 1442 CA LYS A 93 20.341 2.471 8.119 1.00 72.25 C ATOM 1443 C LYS A 93 21.272 1.331 8.521 1.00 54.24 C ATOM 1444 O LYS A 93 22.493 1.483 8.514 1.00 53.13 O ATOM 1445 CB LYS A 93 19.778 3.149 9.369 1.00 11.25 C ATOM 1446 CG LYS A 93 20.815 3.935 10.154 1.00 74.21 C ATOM 1447 CD LYS A 93 21.363 5.098 9.344 1.00 14.14 C ATOM 1448 CE LYS A 93 21.974 6.163 10.242 1.00 15.13 C ATOM 1449 NZ LYS A 93 23.089 5.621 11.066 1.00 23.30 N ATOM 0 H LYS A 93 18.327 2.079 7.688 1.00 21.03 H new ATOM 0 HA LYS A 93 20.914 3.199 7.545 1.00 72.25 H new ATOM 0 HB2 LYS A 93 18.971 3.820 9.076 1.00 11.25 H new ATOM 0 HB3 LYS A 93 19.341 2.390 10.018 1.00 11.25 H new ATOM 0 HG2 LYS A 93 20.368 4.310 11.075 1.00 74.21 H new ATOM 0 HG3 LYS A 93 21.632 3.274 10.442 1.00 74.21 H new ATOM 0 HD2 LYS A 93 22.116 4.734 8.645 1.00 14.14 H new ATOM 0 HD3 LYS A 93 20.563 5.538 8.749 1.00 14.14 H new ATOM 0 HE2 LYS A 93 22.342 6.987 9.630 1.00 15.13 H new ATOM 0 HE3 LYS A 93 21.204 6.571 10.897 1.00 15.13 H new ATOM 0 HZ1 LYS A 93 23.576 6.403 11.548 1.00 23.30 H new ATOM 0 HZ2 LYS A 93 22.708 4.961 11.774 1.00 23.30 H new ATOM 0 HZ3 LYS A 93 23.762 5.119 10.452 1.00 23.30 H new ATOM 1463 N ALA A 94 20.686 0.190 8.869 1.00 3.11 N ATOM 1464 CA ALA A 94 21.464 -0.976 9.270 1.00 13.24 C ATOM 1465 C ALA A 94 22.345 -1.468 8.127 1.00 1.24 C ATOM 1466 O ALA A 94 23.476 -1.906 8.345 1.00 55.44 O ATOM 1467 CB ALA A 94 20.540 -2.088 9.744 1.00 23.40 C ATOM 0 H ALA A 94 19.676 0.048 8.881 1.00 3.11 H new ATOM 0 HA ALA A 94 22.115 -0.683 10.094 1.00 13.24 H new ATOM 0 HB1 ALA A 94 21.134 -2.953 10.040 1.00 23.40 H new ATOM 0 HB2 ALA A 94 19.957 -1.738 10.596 1.00 23.40 H new ATOM 0 HB3 ALA A 94 19.866 -2.371 8.935 1.00 23.40 H new ATOM 1473 N THR A 95 21.821 -1.394 6.908 1.00 71.12 N ATOM 1474 CA THR A 95 22.559 -1.834 5.731 1.00 41.33 C ATOM 1475 C THR A 95 23.746 -0.918 5.452 1.00 31.44 C ATOM 1476 O THR A 95 24.851 -1.385 5.180 1.00 24.21 O ATOM 1477 CB THR A 95 21.655 -1.877 4.484 1.00 1.22 C ATOM 1478 OG1 THR A 95 20.669 -2.905 4.630 1.00 52.44 O ATOM 1479 CG2 THR A 95 22.476 -2.129 3.229 1.00 43.23 C ATOM 0 H THR A 95 20.888 -1.033 6.710 1.00 71.12 H new ATOM 0 HA THR A 95 22.921 -2.840 5.943 1.00 41.33 H new ATOM 0 HB THR A 95 21.160 -0.911 4.387 1.00 1.22 H new ATOM 0 HG1 THR A 95 21.074 -3.776 4.437 1.00 52.44 H new ATOM 0 HG21 THR A 95 21.816 -2.155 2.362 1.00 43.23 H new ATOM 0 HG22 THR A 95 23.206 -1.329 3.105 1.00 43.23 H new ATOM 0 HG23 THR A 95 22.995 -3.083 3.319 1.00 43.23 H new ATOM 1487 N ALA A 96 23.509 0.388 5.523 1.00 23.52 N ATOM 1488 CA ALA A 96 24.560 1.368 5.282 1.00 41.45 C ATOM 1489 C ALA A 96 25.623 1.315 6.374 1.00 53.11 C ATOM 1490 O ALA A 96 26.819 1.288 6.087 1.00 30.52 O ATOM 1491 CB ALA A 96 23.966 2.766 5.188 1.00 0.01 C ATOM 0 H ALA A 96 22.599 0.791 5.745 1.00 23.52 H new ATOM 0 HA ALA A 96 25.039 1.124 4.334 1.00 41.45 H new ATOM 0 HB1 ALA A 96 24.762 3.488 5.008 1.00 0.01 H new ATOM 0 HB2 ALA A 96 23.250 2.803 4.367 1.00 0.01 H new ATOM 0 HB3 ALA A 96 23.460 3.010 6.122 1.00 0.01 H new ATOM 1497 N GLU A 97 25.177 1.302 7.626 1.00 23.54 N ATOM 1498 CA GLU A 97 26.092 1.253 8.761 1.00 13.22 C ATOM 1499 C GLU A 97 26.881 -0.053 8.768 1.00 2.34 C ATOM 1500 O GLU A 97 28.041 -0.088 9.180 1.00 62.34 O ATOM 1501 CB GLU A 97 25.319 1.402 10.074 1.00 44.24 C ATOM 1502 CG GLU A 97 24.708 0.103 10.571 1.00 0.20 C ATOM 1503 CD GLU A 97 25.675 -0.715 11.405 1.00 71.03 C ATOM 1504 OE1 GLU A 97 26.602 -0.121 11.993 1.00 11.53 O ATOM 1505 OE2 GLU A 97 25.504 -1.951 11.468 1.00 11.43 O ATOM 0 H GLU A 97 24.189 1.325 7.880 1.00 23.54 H new ATOM 0 HA GLU A 97 26.794 2.081 8.665 1.00 13.22 H new ATOM 0 HB2 GLU A 97 25.990 1.794 10.838 1.00 44.24 H new ATOM 0 HB3 GLU A 97 24.526 2.138 9.938 1.00 44.24 H new ATOM 0 HG2 GLU A 97 23.821 0.327 11.164 1.00 0.20 H new ATOM 0 HG3 GLU A 97 24.379 -0.490 9.717 1.00 0.20 H new ATOM 1512 N LYS A 98 26.244 -1.125 8.311 1.00 51.02 N ATOM 1513 CA LYS A 98 26.884 -2.434 8.263 1.00 45.11 C ATOM 1514 C LYS A 98 28.154 -2.388 7.418 1.00 75.11 C ATOM 1515 O LYS A 98 29.159 -3.014 7.755 1.00 74.22 O ATOM 1516 CB LYS A 98 25.919 -3.477 7.696 1.00 53.33 C ATOM 1517 CG LYS A 98 26.521 -4.866 7.583 1.00 25.30 C ATOM 1518 CD LYS A 98 26.373 -5.645 8.879 1.00 33.41 C ATOM 1519 CE LYS A 98 27.500 -5.331 9.851 1.00 54.00 C ATOM 1520 NZ LYS A 98 27.667 -6.402 10.872 1.00 74.11 N ATOM 0 H LYS A 98 25.283 -1.113 7.968 1.00 51.02 H new ATOM 0 HA LYS A 98 27.155 -2.715 9.281 1.00 45.11 H new ATOM 0 HB2 LYS A 98 25.035 -3.524 8.331 1.00 53.33 H new ATOM 0 HB3 LYS A 98 25.586 -3.153 6.710 1.00 53.33 H new ATOM 0 HG2 LYS A 98 26.034 -5.410 6.773 1.00 25.30 H new ATOM 0 HG3 LYS A 98 27.577 -4.786 7.324 1.00 25.30 H new ATOM 0 HD2 LYS A 98 25.415 -5.405 9.341 1.00 33.41 H new ATOM 0 HD3 LYS A 98 26.364 -6.713 8.663 1.00 33.41 H new ATOM 0 HE2 LYS A 98 28.432 -5.207 9.299 1.00 54.00 H new ATOM 0 HE3 LYS A 98 27.296 -4.383 10.349 1.00 54.00 H new ATOM 0 HZ1 LYS A 98 28.349 -6.091 11.593 1.00 74.11 H new ATOM 0 HZ2 LYS A 98 26.751 -6.597 11.323 1.00 74.11 H new ATOM 0 HZ3 LYS A 98 28.018 -7.267 10.414 1.00 74.11 H new ATOM 1534 N PHE A 99 28.101 -1.642 6.319 1.00 11.15 N ATOM 1535 CA PHE A 99 29.247 -1.514 5.427 1.00 74.05 C ATOM 1536 C PHE A 99 30.414 -0.832 6.134 1.00 51.22 C ATOM 1537 O PHE A 99 31.578 -1.117 5.853 1.00 61.41 O ATOM 1538 CB PHE A 99 28.860 -0.722 4.176 1.00 13.52 C ATOM 1539 CG PHE A 99 28.352 -1.582 3.055 1.00 55.34 C ATOM 1540 CD1 PHE A 99 29.224 -2.360 2.311 1.00 51.12 C ATOM 1541 CD2 PHE A 99 27.001 -1.613 2.745 1.00 45.45 C ATOM 1542 CE1 PHE A 99 28.759 -3.152 1.278 1.00 51.41 C ATOM 1543 CE2 PHE A 99 26.531 -2.403 1.713 1.00 55.21 C ATOM 1544 CZ PHE A 99 27.410 -3.174 0.979 1.00 25.13 C ATOM 0 H PHE A 99 27.277 -1.117 6.025 1.00 11.15 H new ATOM 0 HA PHE A 99 29.560 -2.516 5.132 1.00 74.05 H new ATOM 0 HB2 PHE A 99 28.094 0.007 4.440 1.00 13.52 H new ATOM 0 HB3 PHE A 99 29.727 -0.161 3.828 1.00 13.52 H new ATOM 0 HD1 PHE A 99 30.279 -2.348 2.541 1.00 51.12 H new ATOM 0 HD2 PHE A 99 26.308 -1.013 3.316 1.00 45.45 H new ATOM 0 HE1 PHE A 99 29.449 -3.753 0.705 1.00 51.41 H new ATOM 0 HE2 PHE A 99 25.476 -2.417 1.481 1.00 55.21 H new ATOM 0 HZ PHE A 99 27.044 -3.793 0.173 1.00 25.13 H new ATOM 1554 N LYS A 100 30.094 0.072 7.053 1.00 12.52 N ATOM 1555 CA LYS A 100 31.114 0.797 7.803 1.00 74.53 C ATOM 1556 C LYS A 100 31.986 -0.165 8.603 1.00 61.20 C ATOM 1557 O LYS A 100 33.160 0.107 8.851 1.00 51.11 O ATOM 1558 CB LYS A 100 30.460 1.812 8.743 1.00 62.11 C ATOM 1559 CG LYS A 100 31.127 3.176 8.723 1.00 4.31 C ATOM 1560 CD LYS A 100 32.508 3.131 9.357 1.00 53.32 C ATOM 1561 CE LYS A 100 32.432 2.765 10.831 1.00 4.32 C ATOM 1562 NZ LYS A 100 33.310 3.634 11.664 1.00 61.32 N ATOM 0 H LYS A 100 29.135 0.321 7.297 1.00 12.52 H new ATOM 0 HA LYS A 100 31.747 1.327 7.091 1.00 74.53 H new ATOM 0 HB2 LYS A 100 29.411 1.926 8.469 1.00 62.11 H new ATOM 0 HB3 LYS A 100 30.483 1.420 9.760 1.00 62.11 H new ATOM 0 HG2 LYS A 100 31.209 3.527 7.694 1.00 4.31 H new ATOM 0 HG3 LYS A 100 30.504 3.894 9.256 1.00 4.31 H new ATOM 0 HD2 LYS A 100 33.127 2.404 8.832 1.00 53.32 H new ATOM 0 HD3 LYS A 100 32.992 4.101 9.246 1.00 53.32 H new ATOM 0 HE2 LYS A 100 31.401 2.854 11.175 1.00 4.32 H new ATOM 0 HE3 LYS A 100 32.723 1.723 10.962 1.00 4.32 H new ATOM 0 HZ1 LYS A 100 33.230 3.353 12.662 1.00 61.32 H new ATOM 0 HZ2 LYS A 100 34.297 3.530 11.353 1.00 61.32 H new ATOM 0 HZ3 LYS A 100 33.017 4.626 11.559 1.00 61.32 H new ATOM 1576 N ASN A 101 31.404 -1.291 9.003 1.00 25.31 N ATOM 1577 CA ASN A 101 32.130 -2.294 9.775 1.00 40.04 C ATOM 1578 C ASN A 101 33.286 -2.873 8.964 1.00 14.10 C ATOM 1579 O ASN A 101 34.191 -3.500 9.513 1.00 25.15 O ATOM 1580 CB ASN A 101 31.185 -3.416 10.209 1.00 54.20 C ATOM 1581 CG ASN A 101 30.160 -2.948 11.224 1.00 10.23 C ATOM 1582 OD1 ASN A 101 29.866 -1.756 11.322 1.00 74.43 O ATOM 1583 ND2 ASN A 101 29.612 -3.886 11.987 1.00 75.51 N ATOM 0 H ASN A 101 30.433 -1.532 8.806 1.00 25.31 H new ATOM 0 HA ASN A 101 32.538 -1.809 10.661 1.00 40.04 H new ATOM 0 HB2 ASN A 101 30.671 -3.813 9.334 1.00 54.20 H new ATOM 0 HB3 ASN A 101 31.767 -4.233 10.635 1.00 54.20 H new ATOM 0 HD21 ASN A 101 28.917 -3.631 12.689 1.00 75.51 H new ATOM 0 HD22 ASN A 101 29.886 -4.862 11.871 1.00 75.51 H new ATOM 1590 N LYS A 102 33.248 -2.658 7.653 1.00 11.44 N ATOM 1591 CA LYS A 102 34.292 -3.155 6.765 1.00 32.44 C ATOM 1592 C LYS A 102 35.390 -2.114 6.580 1.00 44.33 C ATOM 1593 O LYS A 102 36.438 -2.399 6.002 1.00 43.12 O ATOM 1594 CB LYS A 102 33.697 -3.533 5.407 1.00 41.32 C ATOM 1595 CG LYS A 102 33.837 -5.007 5.070 1.00 33.21 C ATOM 1596 CD LYS A 102 35.294 -5.409 4.919 1.00 62.12 C ATOM 1597 CE LYS A 102 35.693 -5.520 3.455 1.00 11.41 C ATOM 1598 NZ LYS A 102 36.585 -4.402 3.037 1.00 35.43 N ATOM 0 H LYS A 102 32.505 -2.142 7.182 1.00 11.44 H new ATOM 0 HA LYS A 102 34.731 -4.042 7.222 1.00 32.44 H new ATOM 0 HB2 LYS A 102 32.640 -3.265 5.396 1.00 41.32 H new ATOM 0 HB3 LYS A 102 34.184 -2.944 4.630 1.00 41.32 H new ATOM 0 HG2 LYS A 102 33.373 -5.606 5.854 1.00 33.21 H new ATOM 0 HG3 LYS A 102 33.302 -5.222 4.145 1.00 33.21 H new ATOM 0 HD2 LYS A 102 35.928 -4.675 5.415 1.00 62.12 H new ATOM 0 HD3 LYS A 102 35.462 -6.364 5.417 1.00 62.12 H new ATOM 0 HE2 LYS A 102 36.199 -6.471 3.288 1.00 11.41 H new ATOM 0 HE3 LYS A 102 34.797 -5.522 2.834 1.00 11.41 H new ATOM 0 HZ1 LYS A 102 36.228 -3.985 2.154 1.00 35.43 H new ATOM 0 HZ2 LYS A 102 36.602 -3.675 3.781 1.00 35.43 H new ATOM 0 HZ3 LYS A 102 37.548 -4.764 2.885 1.00 35.43 H new ATOM 1612 N GLY A 103 35.144 -0.905 7.075 1.00 14.32 N ATOM 1613 CA GLY A 103 36.122 0.160 6.955 1.00 50.34 C ATOM 1614 C GLY A 103 35.790 1.128 5.836 1.00 2.55 C ATOM 1615 O GLY A 103 36.634 1.423 4.990 1.00 42.40 O ATOM 0 H GLY A 103 34.284 -0.644 7.557 1.00 14.32 H new ATOM 0 HA2 GLY A 103 36.179 0.705 7.897 1.00 50.34 H new ATOM 0 HA3 GLY A 103 37.106 -0.273 6.777 1.00 50.34 H new ATOM 1619 N PHE A 104 34.557 1.624 5.831 1.00 30.41 N ATOM 1620 CA PHE A 104 34.114 2.562 4.807 1.00 45.24 C ATOM 1621 C PHE A 104 33.355 3.730 5.430 1.00 20.31 C ATOM 1622 O PHE A 104 33.232 3.824 6.651 1.00 0.35 O ATOM 1623 CB PHE A 104 33.228 1.851 3.782 1.00 13.32 C ATOM 1624 CG PHE A 104 33.966 0.846 2.945 1.00 2.22 C ATOM 1625 CD1 PHE A 104 34.424 -0.337 3.503 1.00 40.32 C ATOM 1626 CD2 PHE A 104 34.203 1.085 1.601 1.00 71.40 C ATOM 1627 CE1 PHE A 104 35.104 -1.264 2.735 1.00 14.03 C ATOM 1628 CE2 PHE A 104 34.881 0.161 0.829 1.00 64.04 C ATOM 1629 CZ PHE A 104 35.333 -1.014 1.397 1.00 64.24 C ATOM 0 H PHE A 104 33.847 1.392 6.525 1.00 30.41 H new ATOM 0 HA PHE A 104 34.997 2.954 4.303 1.00 45.24 H new ATOM 0 HB2 PHE A 104 32.414 1.349 4.304 1.00 13.32 H new ATOM 0 HB3 PHE A 104 32.776 2.595 3.127 1.00 13.32 H new ATOM 0 HD1 PHE A 104 34.248 -0.537 4.550 1.00 40.32 H new ATOM 0 HD2 PHE A 104 33.854 2.003 1.152 1.00 71.40 H new ATOM 0 HE1 PHE A 104 35.456 -2.182 3.181 1.00 14.03 H new ATOM 0 HE2 PHE A 104 35.057 0.358 -0.218 1.00 64.04 H new ATOM 0 HZ PHE A 104 35.865 -1.736 0.795 1.00 64.24 H new ATOM 1639 N LYS A 105 32.848 4.618 4.582 1.00 35.21 N ATOM 1640 CA LYS A 105 32.099 5.780 5.047 1.00 22.41 C ATOM 1641 C LYS A 105 30.613 5.628 4.740 1.00 32.24 C ATOM 1642 O LYS A 105 30.234 5.211 3.646 1.00 50.45 O ATOM 1643 CB LYS A 105 32.638 7.054 4.394 1.00 42.15 C ATOM 1644 CG LYS A 105 31.965 8.323 4.888 1.00 74.34 C ATOM 1645 CD LYS A 105 32.307 8.606 6.341 1.00 74.12 C ATOM 1646 CE LYS A 105 33.713 9.168 6.483 1.00 15.41 C ATOM 1647 NZ LYS A 105 33.804 10.566 5.978 1.00 3.43 N ATOM 0 H LYS A 105 32.942 4.555 3.568 1.00 35.21 H new ATOM 0 HA LYS A 105 32.223 5.852 6.128 1.00 22.41 H new ATOM 0 HB2 LYS A 105 33.709 7.124 4.583 1.00 42.15 H new ATOM 0 HB3 LYS A 105 32.509 6.981 3.314 1.00 42.15 H new ATOM 0 HG2 LYS A 105 32.276 9.165 4.269 1.00 74.34 H new ATOM 0 HG3 LYS A 105 30.885 8.229 4.779 1.00 74.34 H new ATOM 0 HD2 LYS A 105 31.588 9.313 6.754 1.00 74.12 H new ATOM 0 HD3 LYS A 105 32.221 7.688 6.922 1.00 74.12 H new ATOM 0 HE2 LYS A 105 34.011 9.140 7.531 1.00 15.41 H new ATOM 0 HE3 LYS A 105 34.413 8.537 5.935 1.00 15.41 H new ATOM 0 HZ1 LYS A 105 34.687 11.000 6.315 1.00 3.43 H new ATOM 0 HZ2 LYS A 105 33.796 10.561 4.938 1.00 3.43 H new ATOM 0 HZ3 LYS A 105 32.993 11.115 6.328 1.00 3.43 H new ATOM 1661 N VAL A 106 29.774 5.970 5.714 1.00 63.44 N ATOM 1662 CA VAL A 106 28.329 5.874 5.546 1.00 21.24 C ATOM 1663 C VAL A 106 27.674 7.248 5.629 1.00 30.14 C ATOM 1664 O VAL A 106 27.892 7.993 6.584 1.00 45.44 O ATOM 1665 CB VAL A 106 27.701 4.953 6.609 1.00 20.31 C ATOM 1666 CG1 VAL A 106 26.217 4.758 6.337 1.00 22.33 C ATOM 1667 CG2 VAL A 106 28.424 3.615 6.649 1.00 44.02 C ATOM 0 H VAL A 106 30.071 6.316 6.627 1.00 63.44 H new ATOM 0 HA VAL A 106 28.152 5.450 4.558 1.00 21.24 H new ATOM 0 HB VAL A 106 27.808 5.427 7.585 1.00 20.31 H new ATOM 0 HG11 VAL A 106 25.790 4.105 7.098 1.00 22.33 H new ATOM 0 HG12 VAL A 106 25.712 5.724 6.363 1.00 22.33 H new ATOM 0 HG13 VAL A 106 26.084 4.306 5.354 1.00 22.33 H new ATOM 0 HG21 VAL A 106 27.967 2.977 7.406 1.00 44.02 H new ATOM 0 HG22 VAL A 106 28.350 3.132 5.675 1.00 44.02 H new ATOM 0 HG23 VAL A 106 29.473 3.776 6.896 1.00 44.02 H new ATOM 1677 N GLU A 107 26.869 7.576 4.623 1.00 23.42 N ATOM 1678 CA GLU A 107 26.182 8.861 4.583 1.00 43.20 C ATOM 1679 C GLU A 107 24.690 8.673 4.324 1.00 22.24 C ATOM 1680 O GLU A 107 24.287 7.804 3.550 1.00 13.31 O ATOM 1681 CB GLU A 107 26.790 9.756 3.500 1.00 32.52 C ATOM 1682 CG GLU A 107 26.013 11.040 3.265 1.00 73.10 C ATOM 1683 CD GLU A 107 25.915 11.899 4.511 1.00 44.35 C ATOM 1684 OE1 GLU A 107 26.834 11.827 5.353 1.00 3.44 O ATOM 1685 OE2 GLU A 107 24.921 12.643 4.643 1.00 43.13 O ATOM 0 H GLU A 107 26.677 6.970 3.826 1.00 23.42 H new ATOM 0 HA GLU A 107 26.307 9.341 5.554 1.00 43.20 H new ATOM 0 HB2 GLU A 107 27.813 10.006 3.780 1.00 32.52 H new ATOM 0 HB3 GLU A 107 26.843 9.197 2.566 1.00 32.52 H new ATOM 0 HG2 GLU A 107 26.494 11.611 2.471 1.00 73.10 H new ATOM 0 HG3 GLU A 107 25.009 10.795 2.918 1.00 73.10 H new ATOM 1692 N THR A 108 23.874 9.493 4.979 1.00 31.11 N ATOM 1693 CA THR A 108 22.427 9.417 4.823 1.00 71.45 C ATOM 1694 C THR A 108 21.863 10.725 4.280 1.00 31.13 C ATOM 1695 O THR A 108 22.225 11.807 4.742 1.00 24.02 O ATOM 1696 CB THR A 108 21.734 9.086 6.158 1.00 0.40 C ATOM 1697 OG1 THR A 108 22.286 9.888 7.208 1.00 44.30 O ATOM 1698 CG2 THR A 108 21.894 7.613 6.501 1.00 72.13 C ATOM 0 H THR A 108 24.191 10.218 5.623 1.00 31.11 H new ATOM 0 HA THR A 108 22.228 8.616 4.111 1.00 71.45 H new ATOM 0 HB THR A 108 20.671 9.305 6.054 1.00 0.40 H new ATOM 0 HG1 THR A 108 21.839 9.673 8.053 1.00 44.30 H new ATOM 0 HG21 THR A 108 21.396 7.404 7.448 1.00 72.13 H new ATOM 0 HG22 THR A 108 21.447 7.006 5.714 1.00 72.13 H new ATOM 0 HG23 THR A 108 22.954 7.373 6.587 1.00 72.13 H new ATOM 1706 N ASP A 109 20.974 10.619 3.299 1.00 70.41 N ATOM 1707 CA ASP A 109 20.358 11.794 2.695 1.00 51.34 C ATOM 1708 C ASP A 109 18.861 11.580 2.492 1.00 2.03 C ATOM 1709 O ASP A 109 18.347 10.483 2.707 1.00 32.10 O ATOM 1710 CB ASP A 109 21.025 12.115 1.356 1.00 3.14 C ATOM 1711 CG ASP A 109 21.057 13.603 1.067 1.00 3.04 C ATOM 1712 OD1 ASP A 109 21.353 14.381 1.998 1.00 40.43 O ATOM 1713 OD2 ASP A 109 20.786 13.989 -0.089 1.00 54.20 O ATOM 0 H ASP A 109 20.664 9.731 2.905 1.00 70.41 H new ATOM 0 HA ASP A 109 20.498 12.635 3.374 1.00 51.34 H new ATOM 0 HB2 ASP A 109 22.043 11.726 1.358 1.00 3.14 H new ATOM 0 HB3 ASP A 109 20.490 11.604 0.555 1.00 3.14 H new ATOM 1718 N MET A 110 18.168 12.636 2.079 1.00 60.11 N ATOM 1719 CA MET A 110 16.730 12.563 1.848 1.00 60.23 C ATOM 1720 C MET A 110 16.349 13.287 0.560 1.00 32.43 C ATOM 1721 O MET A 110 17.135 14.062 0.016 1.00 44.42 O ATOM 1722 CB MET A 110 15.970 13.167 3.030 1.00 23.23 C ATOM 1723 CG MET A 110 16.534 14.499 3.498 1.00 54.02 C ATOM 1724 SD MET A 110 15.302 15.521 4.328 1.00 53.11 S ATOM 1725 CE MET A 110 15.633 17.118 3.588 1.00 1.44 C ATOM 0 H MET A 110 18.579 13.552 1.898 1.00 60.11 H new ATOM 0 HA MET A 110 16.456 11.513 1.749 1.00 60.23 H new ATOM 0 HB2 MET A 110 14.926 13.303 2.749 1.00 23.23 H new ATOM 0 HB3 MET A 110 15.988 12.462 3.861 1.00 23.23 H new ATOM 0 HG2 MET A 110 17.367 14.318 4.177 1.00 54.02 H new ATOM 0 HG3 MET A 110 16.933 15.042 2.641 1.00 54.02 H new ATOM 0 HE1 MET A 110 14.949 17.859 4.001 1.00 1.44 H new ATOM 0 HE2 MET A 110 16.660 17.413 3.803 1.00 1.44 H new ATOM 0 HE3 MET A 110 15.492 17.055 2.509 1.00 1.44 H new TER 1735 MET A 110