USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 417 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 8 ASN : amide:sc= -0.183 K(o=-0.032,f=-0.67) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.152 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot 62:sc= 0.256 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.479 (180deg=0.421) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc=-0.00733 (180deg=-0.132) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0.00762 (180deg=-0.0828) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0174 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.368 (180deg=-1.65!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.6) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.975 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 0.33 (180deg=-0.0306) USER MOD Single : A 53 THR OG1 : rot 150:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.775 -0.467 -18.678 1.00 3.32 N ATOM 2 CA MET A 1 -11.875 -1.418 -18.570 1.00 74.22 C ATOM 3 C MET A 1 -11.415 -2.826 -18.933 1.00 73.40 C ATOM 4 O MET A 1 -10.628 -3.015 -19.861 1.00 50.13 O ATOM 5 CB MET A 1 -13.031 -0.997 -19.480 1.00 32.55 C ATOM 6 CG MET A 1 -13.771 0.237 -18.990 1.00 15.35 C ATOM 7 SD MET A 1 -15.384 0.436 -19.772 1.00 21.01 S ATOM 8 CE MET A 1 -15.558 2.218 -19.742 1.00 55.34 C ATOM 0 H1 MET A 1 -11.062 0.444 -18.268 1.00 3.32 H new ATOM 0 H2 MET A 1 -9.948 -0.833 -18.164 1.00 3.32 H new ATOM 0 H3 MET A 1 -10.529 -0.333 -19.680 1.00 3.32 H new ATOM 0 HA MET A 1 -12.218 -1.423 -17.535 1.00 74.22 H new ATOM 0 HB2 MET A 1 -12.644 -0.805 -20.481 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.736 -1.824 -19.564 1.00 32.55 H new ATOM 0 HG2 MET A 1 -13.901 0.173 -17.910 1.00 15.35 H new ATOM 0 HG3 MET A 1 -13.165 1.121 -19.186 1.00 15.35 H new ATOM 0 HE1 MET A 1 -16.510 2.498 -20.193 1.00 55.34 H new ATOM 0 HE2 MET A 1 -15.528 2.569 -18.711 1.00 55.34 H new ATOM 0 HE3 MET A 1 -14.742 2.673 -20.304 1.00 55.34 H new ATOM 18 N THR A 2 -11.910 -3.815 -18.193 1.00 10.15 N ATOM 19 CA THR A 2 -11.548 -5.206 -18.436 1.00 20.41 C ATOM 20 C THR A 2 -12.654 -5.938 -19.188 1.00 2.24 C ATOM 21 O THR A 2 -13.751 -6.131 -18.665 1.00 31.53 O ATOM 22 CB THR A 2 -11.260 -5.949 -17.118 1.00 61.45 C ATOM 23 OG1 THR A 2 -10.219 -5.282 -16.396 1.00 34.53 O ATOM 24 CG2 THR A 2 -10.855 -7.390 -17.388 1.00 12.34 C ATOM 0 H THR A 2 -12.562 -3.678 -17.421 1.00 10.15 H new ATOM 0 HA THR A 2 -10.644 -5.196 -19.044 1.00 20.41 H new ATOM 0 HB THR A 2 -12.171 -5.950 -16.520 1.00 61.45 H new ATOM 0 HG1 THR A 2 -10.044 -5.760 -15.559 1.00 34.53 H new ATOM 0 HG21 THR A 2 -10.656 -7.895 -16.443 1.00 12.34 H new ATOM 0 HG22 THR A 2 -11.662 -7.903 -17.911 1.00 12.34 H new ATOM 0 HG23 THR A 2 -9.956 -7.406 -18.004 1.00 12.34 H new ATOM 32 N PHE A 3 -12.356 -6.345 -20.418 1.00 71.13 N ATOM 33 CA PHE A 3 -13.326 -7.056 -21.243 1.00 5.34 C ATOM 34 C PHE A 3 -12.834 -8.463 -21.569 1.00 31.35 C ATOM 35 O PHE A 3 -11.636 -8.744 -21.509 1.00 14.10 O ATOM 36 CB PHE A 3 -13.592 -6.284 -22.537 1.00 13.42 C ATOM 37 CG PHE A 3 -14.539 -5.132 -22.363 1.00 61.41 C ATOM 38 CD1 PHE A 3 -15.883 -5.356 -22.102 1.00 3.30 C ATOM 39 CD2 PHE A 3 -14.090 -3.826 -22.461 1.00 14.50 C ATOM 40 CE1 PHE A 3 -16.757 -4.299 -21.942 1.00 51.03 C ATOM 41 CE2 PHE A 3 -14.961 -2.764 -22.302 1.00 61.42 C ATOM 42 CZ PHE A 3 -16.297 -3.002 -22.043 1.00 53.44 C ATOM 0 H PHE A 3 -11.451 -6.195 -20.865 1.00 71.13 H new ATOM 0 HA PHE A 3 -14.255 -7.136 -20.679 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.646 -5.910 -22.929 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -13.998 -6.968 -23.282 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -16.250 -6.369 -22.023 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -13.047 -3.634 -22.664 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -17.801 -4.487 -21.738 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -14.598 -1.750 -22.380 1.00 61.42 H new ATOM 0 HZ PHE A 3 -16.980 -2.175 -21.920 1.00 53.44 H new ATOM 52 N LYS A 4 -13.765 -9.345 -21.915 1.00 33.24 N ATOM 53 CA LYS A 4 -13.429 -10.722 -22.252 1.00 21.53 C ATOM 54 C LYS A 4 -13.832 -11.046 -23.687 1.00 64.34 C ATOM 55 O LYS A 4 -14.742 -10.428 -24.241 1.00 12.13 O ATOM 56 CB LYS A 4 -14.120 -11.689 -21.287 1.00 53.22 C ATOM 57 CG LYS A 4 -13.602 -13.113 -21.378 1.00 22.24 C ATOM 58 CD LYS A 4 -14.049 -13.947 -20.188 1.00 3.42 C ATOM 59 CE LYS A 4 -13.175 -13.691 -18.969 1.00 15.10 C ATOM 60 NZ LYS A 4 -13.670 -14.422 -17.770 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.760 -9.130 -21.969 1.00 33.24 H new ATOM 0 HA LYS A 4 -12.349 -10.837 -22.162 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -13.988 -11.328 -20.267 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -15.191 -11.687 -21.489 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -13.959 -13.573 -22.300 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -12.513 -13.102 -21.428 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -15.087 -13.715 -19.949 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -14.011 -15.005 -20.449 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -12.152 -13.998 -19.185 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -13.150 -12.622 -18.758 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -13.048 -14.222 -16.960 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -14.637 -14.111 -17.549 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -13.670 -15.444 -17.962 1.00 54.24 H new ATOM 74 N ALA A 5 -13.149 -12.018 -24.284 1.00 23.53 N ATOM 75 CA ALA A 5 -13.440 -12.425 -25.654 1.00 20.41 C ATOM 76 C ALA A 5 -13.501 -13.944 -25.774 1.00 72.24 C ATOM 77 O ALA A 5 -12.511 -14.635 -25.532 1.00 53.44 O ATOM 78 CB ALA A 5 -12.394 -11.859 -26.604 1.00 73.13 C ATOM 0 H ALA A 5 -12.391 -12.538 -23.841 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.417 -12.027 -25.927 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.622 -12.170 -27.623 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.401 -10.771 -26.546 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.409 -12.231 -26.323 1.00 73.13 H new ATOM 84 N ILE A 6 -14.669 -14.457 -26.147 1.00 43.32 N ATOM 85 CA ILE A 6 -14.857 -15.893 -26.298 1.00 34.32 C ATOM 86 C ILE A 6 -15.063 -16.269 -27.762 1.00 75.13 C ATOM 87 O ILE A 6 -15.733 -15.556 -28.508 1.00 43.54 O ATOM 88 CB ILE A 6 -16.061 -16.393 -25.479 1.00 0.45 C ATOM 89 CG1 ILE A 6 -16.100 -17.923 -25.468 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.357 -15.830 -26.043 1.00 73.33 C ATOM 91 CD1 ILE A 6 -14.976 -18.549 -24.670 1.00 10.23 C ATOM 0 H ILE A 6 -15.498 -13.899 -26.350 1.00 43.32 H new ATOM 0 HA ILE A 6 -13.951 -16.370 -25.925 1.00 34.32 H new ATOM 0 HB ILE A 6 -15.952 -16.044 -24.452 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.054 -18.251 -25.056 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -16.053 -18.287 -26.494 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.199 -16.193 -25.453 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.329 -14.741 -26.003 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.474 -16.152 -27.078 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.066 -19.635 -24.705 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.018 -18.250 -25.095 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.034 -18.214 -23.635 1.00 10.23 H new ATOM 103 N ILE A 7 -14.483 -17.395 -28.165 1.00 61.12 N ATOM 104 CA ILE A 7 -14.605 -17.867 -29.539 1.00 70.24 C ATOM 105 C ILE A 7 -15.569 -19.044 -29.632 1.00 73.23 C ATOM 106 O ILE A 7 -15.491 -19.987 -28.846 1.00 74.32 O ATOM 107 CB ILE A 7 -13.239 -18.289 -30.113 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.199 -17.195 -29.869 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.361 -18.594 -31.599 1.00 55.12 C ATOM 110 CD1 ILE A 7 -12.548 -15.875 -30.521 1.00 21.24 C ATOM 0 H ILE A 7 -13.924 -17.997 -27.560 1.00 61.12 H new ATOM 0 HA ILE A 7 -14.994 -17.035 -30.125 1.00 70.24 H new ATOM 0 HB ILE A 7 -12.910 -19.194 -29.603 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -12.088 -17.043 -28.795 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.233 -17.533 -30.244 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.388 -18.891 -31.991 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -14.074 -19.405 -31.747 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.708 -17.705 -32.126 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -11.767 -15.146 -30.307 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -12.630 -16.012 -31.599 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -13.499 -15.515 -30.128 1.00 21.24 H new ATOM 122 N ASN A 8 -16.478 -18.984 -30.600 1.00 44.31 N ATOM 123 CA ASN A 8 -17.458 -20.046 -30.797 1.00 54.12 C ATOM 124 C ASN A 8 -17.119 -20.876 -32.032 1.00 3.45 C ATOM 125 O ASN A 8 -17.101 -20.364 -33.150 1.00 74.11 O ATOM 126 CB ASN A 8 -18.862 -19.454 -30.935 1.00 64.50 C ATOM 127 CG ASN A 8 -19.130 -18.360 -29.919 1.00 13.51 C ATOM 128 OD1 ASN A 8 -18.527 -18.331 -28.848 1.00 51.34 O ATOM 129 ND2 ASN A 8 -20.041 -17.453 -30.255 1.00 52.55 N ATOM 0 H ASN A 8 -16.556 -18.211 -31.261 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.431 -20.698 -29.924 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -18.986 -19.051 -31.940 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -19.601 -20.246 -30.815 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -20.265 -16.693 -29.613 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -20.517 -17.517 -31.155 1.00 52.55 H new ATOM 136 N GLY A 9 -16.853 -22.161 -31.820 1.00 64.02 N ATOM 137 CA GLY A 9 -16.519 -23.041 -32.925 1.00 71.24 C ATOM 138 C GLY A 9 -16.748 -24.502 -32.591 1.00 4.45 C ATOM 139 O GLY A 9 -16.773 -24.883 -31.421 1.00 51.23 O ATOM 0 H GLY A 9 -16.863 -22.608 -30.903 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -17.119 -22.772 -33.794 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -15.475 -22.894 -33.200 1.00 71.24 H new ATOM 143 N LYS A 10 -16.917 -25.322 -33.622 1.00 61.35 N ATOM 144 CA LYS A 10 -17.146 -26.750 -33.435 1.00 63.23 C ATOM 145 C LYS A 10 -15.841 -27.530 -33.551 1.00 15.24 C ATOM 146 O LYS A 10 -15.649 -28.545 -32.879 1.00 72.44 O ATOM 147 CB LYS A 10 -18.153 -27.266 -34.465 1.00 21.11 C ATOM 148 CG LYS A 10 -18.808 -28.578 -34.071 1.00 0.45 C ATOM 149 CD LYS A 10 -19.884 -28.372 -33.019 1.00 62.51 C ATOM 150 CE LYS A 10 -20.661 -29.653 -32.756 1.00 31.44 C ATOM 151 NZ LYS A 10 -21.532 -30.020 -33.907 1.00 14.44 N1+ ATOM 0 H LYS A 10 -16.900 -25.022 -34.597 1.00 61.35 H new ATOM 0 HA LYS A 10 -17.551 -26.899 -32.434 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -18.927 -26.513 -34.613 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -17.647 -27.395 -35.422 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -19.245 -29.046 -34.953 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -18.051 -29.263 -33.689 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -19.426 -28.026 -32.092 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -20.570 -27.590 -33.347 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -19.963 -30.466 -32.555 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -21.273 -29.530 -31.862 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -22.179 -30.784 -33.623 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -22.085 -29.190 -34.203 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -20.942 -30.343 -34.700 1.00 14.44 H new ATOM 165 N THR A 11 -14.943 -27.050 -34.405 1.00 75.42 N ATOM 166 CA THR A 11 -13.655 -27.702 -34.609 1.00 45.15 C ATOM 167 C THR A 11 -12.692 -27.384 -33.470 1.00 43.34 C ATOM 168 O THR A 11 -11.952 -28.254 -33.010 1.00 53.01 O ATOM 169 CB THR A 11 -13.013 -27.275 -35.943 1.00 51.20 C ATOM 170 OG1 THR A 11 -13.096 -25.854 -36.093 1.00 61.24 O ATOM 171 CG2 THR A 11 -13.703 -27.955 -37.116 1.00 64.34 C ATOM 0 H THR A 11 -15.084 -26.211 -34.967 1.00 75.42 H new ATOM 0 HA THR A 11 -13.844 -28.775 -34.633 1.00 45.15 H new ATOM 0 HB THR A 11 -11.966 -27.578 -35.932 1.00 51.20 H new ATOM 0 HG1 THR A 11 -12.684 -25.590 -36.942 1.00 61.24 H new ATOM 0 HG21 THR A 11 -13.233 -27.639 -38.047 1.00 64.34 H new ATOM 0 HG22 THR A 11 -13.614 -29.036 -37.013 1.00 64.34 H new ATOM 0 HG23 THR A 11 -14.757 -27.678 -37.129 1.00 64.34 H new ATOM 179 N LEU A 12 -12.707 -26.135 -33.021 1.00 14.20 N ATOM 180 CA LEU A 12 -11.835 -25.702 -31.934 1.00 71.25 C ATOM 181 C LEU A 12 -12.273 -24.344 -31.393 1.00 11.25 C ATOM 182 O LEU A 12 -12.519 -23.410 -32.154 1.00 31.51 O ATOM 183 CB LEU A 12 -10.386 -25.628 -32.417 1.00 3.23 C ATOM 184 CG LEU A 12 -9.375 -25.057 -31.421 1.00 35.12 C ATOM 185 CD1 LEU A 12 -9.275 -25.948 -30.192 1.00 11.42 C ATOM 186 CD2 LEU A 12 -8.012 -24.896 -32.077 1.00 24.33 C ATOM 0 H LEU A 12 -13.313 -25.403 -33.392 1.00 14.20 H new ATOM 0 HA LEU A 12 -11.907 -26.433 -31.129 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -10.065 -26.632 -32.695 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -10.356 -25.022 -33.322 1.00 3.23 H new ATOM 0 HG LEU A 12 -9.722 -24.073 -31.105 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -8.551 -25.526 -29.495 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -10.250 -26.012 -29.709 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -8.952 -26.945 -30.491 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -7.306 -24.489 -31.353 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -7.658 -25.867 -32.423 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -8.095 -24.217 -32.925 1.00 24.33 H new ATOM 198 N LYS A 13 -12.364 -24.242 -30.071 1.00 74.53 N ATOM 199 CA LYS A 13 -12.767 -22.999 -29.426 1.00 63.41 C ATOM 200 C LYS A 13 -11.574 -22.318 -28.763 1.00 51.50 C ATOM 201 O LYS A 13 -10.479 -22.876 -28.710 1.00 41.22 O ATOM 202 CB LYS A 13 -13.856 -23.270 -28.385 1.00 61.25 C ATOM 203 CG LYS A 13 -15.251 -23.376 -28.976 1.00 35.23 C ATOM 204 CD LYS A 13 -16.196 -24.122 -28.050 1.00 31.02 C ATOM 205 CE LYS A 13 -16.539 -23.295 -26.820 1.00 52.41 C ATOM 206 NZ LYS A 13 -17.453 -22.166 -27.149 1.00 2.51 N1+ ATOM 0 H LYS A 13 -12.164 -25.006 -29.426 1.00 74.53 H new ATOM 0 HA LYS A 13 -13.163 -22.333 -30.193 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -13.622 -24.196 -27.860 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -13.845 -22.471 -27.643 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -15.642 -22.377 -29.168 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -15.202 -23.889 -29.937 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -17.110 -24.374 -28.587 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -15.738 -25.062 -27.742 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -17.006 -23.934 -26.071 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -15.623 -22.904 -26.378 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -17.824 -21.752 -26.270 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -16.931 -21.440 -27.680 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -18.243 -22.516 -27.727 1.00 2.51 H new ATOM 220 N GLY A 14 -11.795 -21.109 -28.256 1.00 72.31 N ATOM 221 CA GLY A 14 -10.729 -20.372 -27.602 1.00 53.44 C ATOM 222 C GLY A 14 -11.235 -19.505 -26.467 1.00 32.23 C ATOM 223 O GLY A 14 -12.438 -19.435 -26.221 1.00 62.11 O ATOM 0 H GLY A 14 -12.693 -20.627 -28.286 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -9.989 -21.074 -27.217 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -10.222 -19.745 -28.336 1.00 53.44 H new ATOM 227 N GLU A 15 -10.313 -18.845 -25.772 1.00 72.40 N ATOM 228 CA GLU A 15 -10.674 -17.982 -24.654 1.00 14.51 C ATOM 229 C GLU A 15 -9.554 -16.991 -24.347 1.00 2.11 C ATOM 230 O GLU A 15 -8.442 -17.385 -23.992 1.00 50.33 O ATOM 231 CB GLU A 15 -10.984 -18.818 -23.411 1.00 41.21 C ATOM 232 CG GLU A 15 -11.727 -18.052 -22.330 1.00 33.00 C ATOM 233 CD GLU A 15 -10.831 -17.081 -21.585 1.00 5.33 C ATOM 234 OE1 GLU A 15 -9.644 -17.407 -21.381 1.00 42.21 O ATOM 235 OE2 GLU A 15 -11.319 -15.997 -21.205 1.00 1.43 O1- ATOM 0 H GLU A 15 -9.312 -18.892 -25.964 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.565 -17.422 -24.936 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -11.578 -19.683 -23.705 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -10.050 -19.199 -22.998 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -12.555 -17.505 -22.781 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -12.160 -18.758 -21.622 1.00 33.00 H new ATOM 242 N THR A 16 -9.854 -15.705 -24.488 1.00 64.02 N ATOM 243 CA THR A 16 -8.873 -14.658 -24.229 1.00 12.05 C ATOM 244 C THR A 16 -9.525 -13.439 -23.586 1.00 42.21 C ATOM 245 O THR A 16 -10.751 -13.326 -23.548 1.00 10.11 O ATOM 246 CB THR A 16 -8.161 -14.222 -25.522 1.00 72.14 C ATOM 247 OG1 THR A 16 -8.169 -15.294 -26.472 1.00 21.02 O ATOM 248 CG2 THR A 16 -6.727 -13.802 -25.237 1.00 32.22 C ATOM 0 H THR A 16 -10.769 -15.362 -24.780 1.00 64.02 H new ATOM 0 HA THR A 16 -8.138 -15.078 -23.542 1.00 12.05 H new ATOM 0 HB THR A 16 -8.698 -13.367 -25.934 1.00 72.14 H new ATOM 0 HG1 THR A 16 -7.715 -15.008 -27.292 1.00 21.02 H new ATOM 0 HG21 THR A 16 -6.245 -13.498 -26.166 1.00 32.22 H new ATOM 0 HG22 THR A 16 -6.725 -12.966 -24.537 1.00 32.22 H new ATOM 0 HG23 THR A 16 -6.182 -14.640 -24.803 1.00 32.22 H new ATOM 256 N THR A 17 -8.699 -12.528 -23.081 1.00 12.33 N ATOM 257 CA THR A 17 -9.196 -11.318 -22.440 1.00 4.32 C ATOM 258 C THR A 17 -8.508 -10.077 -22.998 1.00 2.10 C ATOM 259 O THR A 17 -7.336 -10.119 -23.370 1.00 50.51 O ATOM 260 CB THR A 17 -8.987 -11.364 -20.914 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.789 -12.086 -20.605 1.00 35.25 O ATOM 262 CG2 THR A 17 -10.173 -12.022 -20.224 1.00 52.12 C ATOM 0 H THR A 17 -7.682 -12.606 -23.104 1.00 12.33 H new ATOM 0 HA THR A 17 -10.264 -11.264 -22.652 1.00 4.32 H new ATOM 0 HB THR A 17 -8.898 -10.340 -20.551 1.00 64.52 H new ATOM 0 HG1 THR A 17 -7.662 -12.109 -19.633 1.00 35.25 H new ATOM 0 HG21 THR A 17 -10.002 -12.043 -19.148 1.00 52.12 H new ATOM 0 HG22 THR A 17 -11.079 -11.454 -20.437 1.00 52.12 H new ATOM 0 HG23 THR A 17 -10.289 -13.041 -20.593 1.00 52.12 H new ATOM 270 N THR A 18 -9.246 -8.973 -23.053 1.00 22.31 N ATOM 271 CA THR A 18 -8.707 -7.720 -23.567 1.00 2.54 C ATOM 272 C THR A 18 -9.141 -6.539 -22.705 1.00 23.33 C ATOM 273 O THR A 18 -10.325 -6.381 -22.406 1.00 54.25 O ATOM 274 CB THR A 18 -9.151 -7.471 -25.020 1.00 23.14 C ATOM 275 OG1 THR A 18 -9.378 -8.719 -25.684 1.00 34.30 O ATOM 276 CG2 THR A 18 -8.102 -6.670 -25.778 1.00 44.33 C ATOM 0 H THR A 18 -10.218 -8.921 -22.748 1.00 22.31 H new ATOM 0 HA THR A 18 -7.621 -7.808 -23.537 1.00 2.54 H new ATOM 0 HB THR A 18 -10.078 -6.897 -25.000 1.00 23.14 H new ATOM 0 HG1 THR A 18 -9.662 -8.552 -26.607 1.00 34.30 H new ATOM 0 HG21 THR A 18 -8.438 -6.507 -26.802 1.00 44.33 H new ATOM 0 HG22 THR A 18 -7.954 -5.708 -25.287 1.00 44.33 H new ATOM 0 HG23 THR A 18 -7.161 -7.221 -25.789 1.00 44.33 H new ATOM 284 N GLU A 19 -8.177 -5.714 -22.310 1.00 43.54 N ATOM 285 CA GLU A 19 -8.463 -4.548 -21.482 1.00 43.13 C ATOM 286 C GLU A 19 -7.978 -3.269 -22.158 1.00 53.51 C ATOM 287 O GLU A 19 -6.779 -3.073 -22.353 1.00 62.32 O ATOM 288 CB GLU A 19 -7.801 -4.695 -20.110 1.00 75.33 C ATOM 289 CG GLU A 19 -6.301 -4.929 -20.180 1.00 64.13 C ATOM 290 CD GLU A 19 -5.732 -5.455 -18.877 1.00 55.41 C ATOM 291 OE1 GLU A 19 -5.449 -4.635 -17.979 1.00 63.52 O ATOM 292 OE2 GLU A 19 -5.570 -6.688 -18.755 1.00 10.35 O1- ATOM 0 H GLU A 19 -7.192 -5.831 -22.549 1.00 43.54 H new ATOM 0 HA GLU A 19 -9.543 -4.483 -21.352 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -7.993 -3.796 -19.525 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -8.265 -5.526 -19.579 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -6.084 -5.638 -20.979 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -5.803 -3.995 -20.439 1.00 64.13 H new ATOM 299 N ALA A 20 -8.921 -2.402 -22.515 1.00 42.41 N ATOM 300 CA ALA A 20 -8.591 -1.141 -23.168 1.00 61.43 C ATOM 301 C ALA A 20 -9.416 0.006 -22.596 1.00 34.43 C ATOM 302 O ALA A 20 -10.200 -0.184 -21.666 1.00 52.30 O ATOM 303 CB ALA A 20 -8.807 -1.252 -24.670 1.00 42.42 C ATOM 0 H ALA A 20 -9.919 -2.550 -22.363 1.00 42.41 H new ATOM 0 HA ALA A 20 -7.539 -0.927 -22.978 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -8.557 -0.303 -25.145 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -8.169 -2.039 -25.072 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -9.851 -1.494 -24.871 1.00 42.42 H new ATOM 309 N VAL A 21 -9.235 1.197 -23.157 1.00 11.54 N ATOM 310 CA VAL A 21 -9.964 2.375 -22.703 1.00 64.42 C ATOM 311 C VAL A 21 -11.178 2.645 -23.586 1.00 23.33 C ATOM 312 O VAL A 21 -12.280 2.879 -23.088 1.00 70.44 O ATOM 313 CB VAL A 21 -9.062 3.624 -22.694 1.00 32.04 C ATOM 314 CG1 VAL A 21 -9.782 4.798 -22.048 1.00 72.54 C ATOM 315 CG2 VAL A 21 -7.754 3.330 -21.975 1.00 45.25 C ATOM 0 H VAL A 21 -8.589 1.372 -23.927 1.00 11.54 H new ATOM 0 HA VAL A 21 -10.297 2.168 -21.686 1.00 64.42 H new ATOM 0 HB VAL A 21 -8.832 3.893 -23.725 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -9.129 5.671 -22.051 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -10.689 5.022 -22.609 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -10.044 4.544 -21.021 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -7.129 4.223 -21.978 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -7.962 3.036 -20.946 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -7.232 2.520 -22.485 1.00 45.25 H new ATOM 325 N ASP A 22 -10.968 2.611 -24.897 1.00 42.31 N ATOM 326 CA ASP A 22 -12.045 2.850 -25.850 1.00 1.33 C ATOM 327 C ASP A 22 -12.350 1.590 -26.654 1.00 73.21 C ATOM 328 O ASP A 22 -11.543 0.661 -26.700 1.00 2.50 O ATOM 329 CB ASP A 22 -11.675 3.995 -26.793 1.00 0.34 C ATOM 330 CG ASP A 22 -11.585 5.328 -26.078 1.00 65.24 C ATOM 331 OD1 ASP A 22 -10.490 5.663 -25.581 1.00 31.54 O ATOM 332 OD2 ASP A 22 -12.611 6.038 -26.015 1.00 73.30 O1- ATOM 0 H ASP A 22 -10.062 2.420 -25.324 1.00 42.31 H new ATOM 0 HA ASP A 22 -12.938 3.126 -25.289 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -10.719 3.776 -27.268 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -12.418 4.062 -27.588 1.00 0.34 H new ATOM 337 N ALA A 23 -13.518 1.564 -27.284 1.00 3.24 N ATOM 338 CA ALA A 23 -13.929 0.418 -28.087 1.00 54.33 C ATOM 339 C ALA A 23 -13.070 0.291 -29.340 1.00 5.03 C ATOM 340 O ALA A 23 -12.933 -0.795 -29.903 1.00 12.02 O ATOM 341 CB ALA A 23 -15.398 0.535 -28.462 1.00 24.43 C ATOM 0 H ALA A 23 -14.198 2.324 -27.255 1.00 3.24 H new ATOM 0 HA ALA A 23 -13.789 -0.482 -27.489 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -15.690 -0.327 -29.061 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -16.003 0.569 -27.556 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -15.555 1.447 -29.038 1.00 24.43 H new ATOM 347 N ALA A 24 -12.492 1.407 -29.774 1.00 2.42 N ATOM 348 CA ALA A 24 -11.646 1.419 -30.960 1.00 1.04 C ATOM 349 C ALA A 24 -10.250 0.892 -30.643 1.00 20.15 C ATOM 350 O ALA A 24 -9.604 0.269 -31.487 1.00 1.23 O ATOM 351 CB ALA A 24 -11.564 2.826 -31.535 1.00 53.41 C ATOM 0 H ALA A 24 -12.595 2.315 -29.321 1.00 2.42 H new ATOM 0 HA ALA A 24 -12.094 0.760 -31.704 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -10.929 2.821 -32.421 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -12.563 3.167 -31.807 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -11.141 3.500 -30.790 1.00 53.41 H new ATOM 357 N THR A 25 -9.789 1.147 -29.423 1.00 32.45 N ATOM 358 CA THR A 25 -8.470 0.700 -28.996 1.00 64.24 C ATOM 359 C THR A 25 -8.338 -0.815 -29.112 1.00 62.03 C ATOM 360 O THR A 25 -7.313 -1.326 -29.563 1.00 44.02 O ATOM 361 CB THR A 25 -8.177 1.119 -27.543 1.00 73.41 C ATOM 362 OG1 THR A 25 -8.223 2.545 -27.426 1.00 72.11 O ATOM 363 CG2 THR A 25 -6.813 0.612 -27.097 1.00 4.30 C ATOM 0 H THR A 25 -10.310 1.661 -28.713 1.00 32.45 H new ATOM 0 HA THR A 25 -7.746 1.177 -29.657 1.00 64.24 H new ATOM 0 HB THR A 25 -8.939 0.677 -26.900 1.00 73.41 H new ATOM 0 HG1 THR A 25 -8.037 2.803 -26.499 1.00 72.11 H new ATOM 0 HG21 THR A 25 -6.629 0.920 -26.068 1.00 4.30 H new ATOM 0 HG22 THR A 25 -6.791 -0.476 -27.159 1.00 4.30 H new ATOM 0 HG23 THR A 25 -6.041 1.028 -27.744 1.00 4.30 H new ATOM 371 N ALA A 26 -9.381 -1.528 -28.702 1.00 74.02 N ATOM 372 CA ALA A 26 -9.382 -2.984 -28.763 1.00 53.15 C ATOM 373 C ALA A 26 -9.725 -3.475 -30.165 1.00 23.31 C ATOM 374 O ALA A 26 -9.372 -4.591 -30.545 1.00 2.03 O ATOM 375 CB ALA A 26 -10.363 -3.554 -27.748 1.00 11.33 C ATOM 0 H ALA A 26 -10.236 -1.121 -28.324 1.00 74.02 H new ATOM 0 HA ALA A 26 -8.379 -3.334 -28.519 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -10.354 -4.642 -27.804 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -10.073 -3.240 -26.745 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -11.366 -3.188 -27.966 1.00 11.33 H new ATOM 381 N GLU A 27 -10.415 -2.635 -30.929 1.00 4.11 N ATOM 382 CA GLU A 27 -10.807 -2.985 -32.290 1.00 11.53 C ATOM 383 C GLU A 27 -9.579 -3.213 -33.167 1.00 23.50 C ATOM 384 O GLU A 27 -9.498 -4.201 -33.896 1.00 52.42 O ATOM 385 CB GLU A 27 -11.680 -1.883 -32.892 1.00 72.31 C ATOM 386 CG GLU A 27 -13.165 -2.070 -32.626 1.00 43.22 C ATOM 387 CD GLU A 27 -13.841 -2.932 -33.674 1.00 0.43 C ATOM 388 OE1 GLU A 27 -13.304 -4.014 -33.988 1.00 23.21 O ATOM 389 OE2 GLU A 27 -14.907 -2.523 -34.181 1.00 4.43 O1- ATOM 0 H GLU A 27 -10.714 -1.707 -30.629 1.00 4.11 H new ATOM 0 HA GLU A 27 -11.381 -3.911 -32.250 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -11.365 -0.921 -32.488 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -11.514 -1.847 -33.969 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -13.300 -2.525 -31.645 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -13.650 -1.095 -32.595 1.00 43.22 H new ATOM 396 N LYS A 28 -8.626 -2.290 -33.092 1.00 43.34 N ATOM 397 CA LYS A 28 -7.401 -2.388 -33.877 1.00 2.12 C ATOM 398 C LYS A 28 -6.743 -3.752 -33.690 1.00 23.24 C ATOM 399 O LYS A 28 -6.089 -4.267 -34.597 1.00 44.21 O ATOM 400 CB LYS A 28 -6.425 -1.280 -33.478 1.00 40.24 C ATOM 401 CG LYS A 28 -5.734 -1.527 -32.147 1.00 74.32 C ATOM 402 CD LYS A 28 -5.400 -0.223 -31.443 1.00 34.15 C ATOM 403 CE LYS A 28 -4.242 0.495 -32.117 1.00 4.23 C ATOM 404 NZ LYS A 28 -4.003 1.840 -31.525 1.00 4.24 N1+ ATOM 0 H LYS A 28 -8.679 -1.465 -32.495 1.00 43.34 H new ATOM 0 HA LYS A 28 -7.663 -2.271 -34.929 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -5.669 -1.176 -34.256 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -6.964 -0.334 -33.428 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -6.378 -2.132 -31.508 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -4.820 -2.098 -32.311 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -6.277 0.424 -31.439 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -5.148 -0.425 -30.402 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -3.338 -0.108 -32.026 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -4.450 0.599 -33.182 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -3.206 2.297 -32.012 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -4.856 2.424 -31.635 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -3.780 1.740 -30.514 1.00 4.24 H new ATOM 418 N VAL A 29 -6.921 -4.333 -32.507 1.00 21.30 N ATOM 419 CA VAL A 29 -6.346 -5.638 -32.202 1.00 25.12 C ATOM 420 C VAL A 29 -7.236 -6.763 -32.717 1.00 3.02 C ATOM 421 O VAL A 29 -6.751 -7.835 -33.083 1.00 53.33 O ATOM 422 CB VAL A 29 -6.133 -5.817 -30.687 1.00 45.21 C ATOM 423 CG1 VAL A 29 -5.399 -7.118 -30.403 1.00 44.51 C ATOM 424 CG2 VAL A 29 -5.377 -4.630 -30.112 1.00 72.10 C ATOM 0 H VAL A 29 -7.459 -3.920 -31.745 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.380 -5.685 -32.704 1.00 25.12 H new ATOM 0 HB VAL A 29 -7.108 -5.865 -30.202 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -5.257 -7.228 -29.328 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -5.985 -7.956 -30.780 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -4.428 -7.103 -30.898 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -5.235 -4.773 -29.041 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -4.405 -4.547 -30.599 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -5.948 -3.717 -30.284 1.00 72.10 H new ATOM 434 N PHE A 30 -8.541 -6.513 -32.744 1.00 64.42 N ATOM 435 CA PHE A 30 -9.500 -7.507 -33.213 1.00 35.02 C ATOM 436 C PHE A 30 -9.396 -7.690 -34.725 1.00 62.14 C ATOM 437 O PHE A 30 -9.587 -8.791 -35.243 1.00 3.15 O ATOM 438 CB PHE A 30 -10.923 -7.092 -32.834 1.00 12.44 C ATOM 439 CG PHE A 30 -11.302 -7.464 -31.430 1.00 52.15 C ATOM 440 CD1 PHE A 30 -11.717 -6.496 -30.530 1.00 52.04 C ATOM 441 CD2 PHE A 30 -11.244 -8.783 -31.009 1.00 11.01 C ATOM 442 CE1 PHE A 30 -12.067 -6.836 -29.237 1.00 11.44 C ATOM 443 CE2 PHE A 30 -11.593 -9.128 -29.718 1.00 32.40 C ATOM 444 CZ PHE A 30 -12.004 -8.153 -28.829 1.00 5.33 C ATOM 0 H PHE A 30 -8.959 -5.631 -32.447 1.00 64.42 H new ATOM 0 HA PHE A 30 -9.267 -8.457 -32.732 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -11.023 -6.013 -32.955 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -11.625 -7.557 -33.526 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -11.768 -5.463 -30.843 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -10.922 -9.550 -31.698 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -12.390 -6.071 -28.546 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -11.545 -10.160 -29.403 1.00 32.40 H new ATOM 0 HZ PHE A 30 -12.275 -8.421 -27.818 1.00 5.33 H new ATOM 454 N LYS A 31 -9.095 -6.604 -35.428 1.00 13.35 N ATOM 455 CA LYS A 31 -8.966 -6.642 -36.879 1.00 22.03 C ATOM 456 C LYS A 31 -7.681 -7.354 -37.293 1.00 4.01 C ATOM 457 O LYS A 31 -7.595 -7.911 -38.386 1.00 74.12 O ATOM 458 CB LYS A 31 -8.980 -5.223 -37.451 1.00 52.34 C ATOM 459 CG LYS A 31 -7.909 -4.319 -36.864 1.00 74.40 C ATOM 460 CD LYS A 31 -7.511 -3.222 -37.837 1.00 13.51 C ATOM 461 CE LYS A 31 -8.635 -2.218 -38.036 1.00 21.40 C ATOM 462 NZ LYS A 31 -8.633 -1.168 -36.979 1.00 50.35 N1+ ATOM 0 H LYS A 31 -8.936 -5.685 -35.015 1.00 13.35 H new ATOM 0 HA LYS A 31 -9.815 -7.197 -37.279 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -8.847 -5.275 -38.532 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -9.958 -4.777 -37.271 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -8.275 -3.872 -35.940 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -7.032 -4.913 -36.605 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -6.625 -2.708 -37.465 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -7.243 -3.665 -38.796 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -8.534 -1.749 -39.015 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -9.593 -2.739 -38.029 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -9.029 -0.287 -37.364 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -9.211 -1.484 -36.174 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -7.658 -0.999 -36.660 1.00 50.35 H new ATOM 476 N GLN A 32 -6.688 -7.332 -36.409 1.00 12.22 N ATOM 477 CA GLN A 32 -5.409 -7.977 -36.683 1.00 64.31 C ATOM 478 C GLN A 32 -5.528 -9.493 -36.569 1.00 73.14 C ATOM 479 O GLN A 32 -4.841 -10.235 -37.272 1.00 72.14 O ATOM 480 CB GLN A 32 -4.338 -7.464 -35.720 1.00 31.11 C ATOM 481 CG GLN A 32 -2.941 -7.970 -36.037 1.00 43.12 C ATOM 482 CD GLN A 32 -2.032 -7.975 -34.824 1.00 30.42 C ATOM 483 OE1 GLN A 32 -2.098 -7.080 -33.981 1.00 41.20 O ATOM 484 NE2 GLN A 32 -1.174 -8.984 -34.730 1.00 61.01 N ATOM 0 H GLN A 32 -6.744 -6.875 -35.499 1.00 12.22 H new ATOM 0 HA GLN A 32 -5.118 -7.730 -37.704 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -4.334 -6.374 -35.742 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -4.601 -7.762 -34.705 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -3.008 -8.980 -36.440 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -2.500 -7.345 -36.814 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -1.153 -9.705 -35.452 1.00 61.01 H new ATOM 0 HE22 GLN A 32 -0.536 -9.039 -33.936 1.00 61.01 H new ATOM 493 N TYR A 33 -6.404 -9.947 -35.679 1.00 0.51 N ATOM 494 CA TYR A 33 -6.611 -11.375 -35.470 1.00 64.52 C ATOM 495 C TYR A 33 -7.077 -12.052 -36.756 1.00 3.34 C ATOM 496 O TYR A 33 -6.805 -13.231 -36.985 1.00 3.14 O ATOM 497 CB TYR A 33 -7.636 -11.606 -34.358 1.00 74.12 C ATOM 498 CG TYR A 33 -7.024 -11.693 -32.979 1.00 2.13 C ATOM 499 CD1 TYR A 33 -7.390 -10.803 -31.978 1.00 44.13 C ATOM 500 CD2 TYR A 33 -6.078 -12.666 -32.677 1.00 14.23 C ATOM 501 CE1 TYR A 33 -6.832 -10.878 -30.715 1.00 22.11 C ATOM 502 CE2 TYR A 33 -5.517 -12.750 -31.418 1.00 11.55 C ATOM 503 CZ TYR A 33 -5.897 -11.854 -30.440 1.00 40.41 C ATOM 504 OH TYR A 33 -5.339 -11.933 -29.185 1.00 2.51 O ATOM 0 H TYR A 33 -6.982 -9.347 -35.091 1.00 0.51 H new ATOM 0 HA TYR A 33 -5.659 -11.815 -35.174 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -8.364 -10.795 -34.373 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -8.181 -12.527 -34.563 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -8.123 -10.039 -32.190 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -5.777 -13.368 -33.440 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -7.127 -10.177 -29.948 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -4.785 -13.513 -31.200 1.00 11.55 H new ATOM 0 HH TYR A 33 -4.700 -12.676 -29.157 1.00 2.51 H new ATOM 514 N PHE A 34 -7.781 -11.296 -37.592 1.00 1.24 N ATOM 515 CA PHE A 34 -8.286 -11.821 -38.856 1.00 71.25 C ATOM 516 C PHE A 34 -7.161 -12.451 -39.672 1.00 75.23 C ATOM 517 O PHE A 34 -7.354 -13.472 -40.331 1.00 24.13 O ATOM 518 CB PHE A 34 -8.956 -10.709 -39.664 1.00 45.01 C ATOM 519 CG PHE A 34 -10.359 -10.408 -39.221 1.00 40.33 C ATOM 520 CD1 PHE A 34 -11.306 -11.416 -39.141 1.00 50.01 C ATOM 521 CD2 PHE A 34 -10.731 -9.116 -38.883 1.00 32.15 C ATOM 522 CE1 PHE A 34 -12.599 -11.142 -38.734 1.00 32.33 C ATOM 523 CE2 PHE A 34 -12.021 -8.836 -38.474 1.00 24.42 C ATOM 524 CZ PHE A 34 -12.957 -9.851 -38.400 1.00 24.34 C ATOM 0 H PHE A 34 -8.015 -10.319 -37.417 1.00 1.24 H new ATOM 0 HA PHE A 34 -9.023 -12.592 -38.631 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -8.356 -9.802 -39.586 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -8.969 -10.993 -40.716 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -11.031 -12.428 -39.400 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -10.004 -8.319 -38.940 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -13.328 -11.937 -38.677 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -12.298 -7.825 -38.212 1.00 24.42 H new ATOM 0 HZ PHE A 34 -13.966 -9.634 -38.082 1.00 24.34 H new ATOM 534 N ASN A 35 -5.984 -11.834 -39.622 1.00 25.20 N ATOM 535 CA ASN A 35 -4.828 -12.333 -40.357 1.00 13.22 C ATOM 536 C ASN A 35 -4.117 -13.431 -39.573 1.00 14.35 C ATOM 537 O ASN A 35 -3.456 -14.293 -40.151 1.00 32.43 O ATOM 538 CB ASN A 35 -3.855 -11.189 -40.653 1.00 15.24 C ATOM 539 CG ASN A 35 -4.519 -10.040 -41.386 1.00 53.00 C ATOM 540 OD1 ASN A 35 -5.404 -9.375 -40.847 1.00 50.44 O ATOM 541 ND2 ASN A 35 -4.094 -9.800 -42.621 1.00 2.01 N ATOM 0 H ASN A 35 -5.806 -10.988 -39.080 1.00 25.20 H new ATOM 0 HA ASN A 35 -5.181 -12.755 -41.298 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -3.433 -10.824 -39.717 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -3.026 -11.567 -41.251 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -4.504 -9.039 -43.162 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -3.358 -10.377 -43.028 1.00 2.01 H new ATOM 548 N ASP A 36 -4.257 -13.392 -38.251 1.00 72.53 N ATOM 549 CA ASP A 36 -3.629 -14.384 -37.387 1.00 31.41 C ATOM 550 C ASP A 36 -4.306 -15.743 -37.540 1.00 53.41 C ATOM 551 O ASP A 36 -3.638 -16.768 -37.674 1.00 51.11 O ATOM 552 CB ASP A 36 -3.690 -13.931 -35.927 1.00 41.52 C ATOM 553 CG ASP A 36 -2.581 -12.960 -35.576 1.00 10.32 C ATOM 554 OD1 ASP A 36 -1.417 -13.400 -35.470 1.00 11.35 O ATOM 555 OD2 ASP A 36 -2.877 -11.759 -35.407 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.800 -12.684 -37.756 1.00 72.53 H new ATOM 0 HA ASP A 36 -2.585 -14.482 -37.685 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -4.655 -13.461 -35.735 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -3.625 -14.803 -35.276 1.00 41.52 H new ATOM 560 N ASN A 37 -5.634 -15.744 -37.517 1.00 14.32 N ATOM 561 CA ASN A 37 -6.400 -16.977 -37.651 1.00 4.12 C ATOM 562 C ASN A 37 -6.758 -17.239 -39.110 1.00 70.12 C ATOM 563 O ASN A 37 -7.052 -18.370 -39.495 1.00 4.34 O ATOM 564 CB ASN A 37 -7.675 -16.905 -36.807 1.00 22.42 C ATOM 565 CG ASN A 37 -8.125 -18.269 -36.322 1.00 54.21 C ATOM 566 OD1 ASN A 37 -9.042 -18.868 -36.884 1.00 50.32 O ATOM 567 ND2 ASN A 37 -7.482 -18.766 -35.273 1.00 64.23 N ATOM 0 H ASN A 37 -6.203 -14.904 -37.407 1.00 14.32 H new ATOM 0 HA ASN A 37 -5.781 -17.800 -37.293 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -7.503 -16.256 -35.949 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -8.472 -16.451 -37.396 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -7.742 -19.680 -34.901 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -6.728 -18.234 -34.838 1.00 64.23 H new ATOM 574 N GLY A 38 -6.730 -16.184 -39.920 1.00 34.21 N ATOM 575 CA GLY A 38 -7.053 -16.321 -41.328 1.00 32.44 C ATOM 576 C GLY A 38 -8.479 -16.784 -41.554 1.00 73.32 C ATOM 577 O GLY A 38 -8.811 -17.295 -42.624 1.00 21.11 O ATOM 0 H GLY A 38 -6.489 -15.237 -39.626 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -6.902 -15.364 -41.827 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.366 -17.032 -41.788 1.00 32.44 H new ATOM 581 N LEU A 39 -9.324 -16.606 -40.544 1.00 30.05 N ATOM 582 CA LEU A 39 -10.721 -17.011 -40.636 1.00 63.52 C ATOM 583 C LEU A 39 -11.643 -15.795 -40.615 1.00 44.43 C ATOM 584 O LEU A 39 -11.293 -14.748 -40.070 1.00 45.03 O ATOM 585 CB LEU A 39 -11.077 -17.954 -39.486 1.00 73.54 C ATOM 586 CG LEU A 39 -12.212 -18.944 -39.755 1.00 71.34 C ATOM 587 CD1 LEU A 39 -11.866 -19.845 -40.930 1.00 33.32 C ATOM 588 CD2 LEU A 39 -12.503 -19.772 -38.513 1.00 1.14 C ATOM 0 H LEU A 39 -9.065 -16.184 -39.652 1.00 30.05 H new ATOM 0 HA LEU A 39 -10.860 -17.534 -41.582 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -10.185 -18.520 -39.217 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -11.346 -17.351 -38.619 1.00 73.54 H new ATOM 0 HG LEU A 39 -13.109 -18.379 -40.008 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -12.685 -20.543 -41.107 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -11.709 -19.237 -41.821 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -10.956 -20.402 -40.706 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -13.313 -20.471 -38.723 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -11.609 -20.327 -38.228 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -12.796 -19.112 -37.696 1.00 1.14 H new ATOM 600 N ASP A 40 -12.821 -15.942 -41.211 1.00 23.32 N ATOM 601 CA ASP A 40 -13.795 -14.857 -41.258 1.00 31.44 C ATOM 602 C ASP A 40 -14.926 -15.099 -40.263 1.00 11.13 C ATOM 603 O ASP A 40 -15.990 -15.598 -40.626 1.00 74.43 O ATOM 604 CB ASP A 40 -14.364 -14.715 -42.670 1.00 2.00 C ATOM 605 CG ASP A 40 -13.322 -14.254 -43.670 1.00 43.15 C ATOM 606 OD1 ASP A 40 -12.180 -13.971 -43.250 1.00 34.04 O ATOM 607 OD2 ASP A 40 -13.647 -14.178 -44.874 1.00 1.34 O1- ATOM 0 H ASP A 40 -13.125 -16.802 -41.668 1.00 23.32 H new ATOM 0 HA ASP A 40 -13.286 -13.933 -40.985 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -14.773 -15.673 -42.992 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -15.190 -14.004 -42.656 1.00 2.00 H new ATOM 612 N GLY A 41 -14.687 -14.742 -39.004 1.00 53.44 N ATOM 613 CA GLY A 41 -15.693 -14.929 -37.976 1.00 32.20 C ATOM 614 C GLY A 41 -16.458 -13.654 -37.675 1.00 70.31 C ATOM 615 O GLY A 41 -15.986 -12.557 -37.969 1.00 4.21 O ATOM 0 H GLY A 41 -13.814 -14.327 -38.679 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.392 -15.703 -38.293 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -15.214 -15.286 -37.064 1.00 32.20 H new ATOM 619 N GLU A 42 -17.641 -13.800 -37.089 1.00 72.22 N ATOM 620 CA GLU A 42 -18.473 -12.652 -36.751 1.00 62.11 C ATOM 621 C GLU A 42 -18.423 -12.366 -35.252 1.00 0.55 C ATOM 622 O GLU A 42 -18.915 -13.152 -34.443 1.00 35.52 O ATOM 623 CB GLU A 42 -19.920 -12.895 -37.186 1.00 52.01 C ATOM 624 CG GLU A 42 -20.052 -13.345 -38.632 1.00 63.13 C ATOM 625 CD GLU A 42 -21.496 -13.423 -39.088 1.00 44.24 C ATOM 626 OE1 GLU A 42 -22.097 -14.512 -38.968 1.00 70.21 O ATOM 627 OE2 GLU A 42 -22.026 -12.398 -39.564 1.00 43.43 O1- ATOM 0 H GLU A 42 -18.045 -14.702 -36.838 1.00 72.22 H new ATOM 0 HA GLU A 42 -18.082 -11.785 -37.283 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -20.364 -13.650 -36.537 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -20.492 -11.978 -37.046 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -19.508 -12.653 -39.275 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -19.585 -14.323 -38.749 1.00 63.13 H new ATOM 634 N TRP A 43 -17.824 -11.236 -34.892 1.00 51.13 N ATOM 635 CA TRP A 43 -17.708 -10.847 -33.492 1.00 55.51 C ATOM 636 C TRP A 43 -19.001 -10.210 -32.995 1.00 4.43 C ATOM 637 O TRP A 43 -19.647 -9.449 -33.716 1.00 30.20 O ATOM 638 CB TRP A 43 -16.543 -9.874 -33.306 1.00 40.54 C ATOM 639 CG TRP A 43 -15.260 -10.550 -32.924 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.608 -10.456 -31.728 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.473 -11.420 -33.745 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.464 -11.217 -31.755 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.359 -11.819 -32.981 1.00 10.54 C ATOM 644 CE3 TRP A 43 -14.603 -11.904 -35.050 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.382 -12.676 -33.481 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.633 -12.755 -35.544 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.535 -13.135 -34.762 1.00 0.13 C ATOM 0 H TRP A 43 -17.412 -10.574 -35.550 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.519 -11.746 -32.906 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.391 -9.319 -34.232 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -16.805 -9.147 -32.537 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -14.942 -9.870 -30.885 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -12.801 -11.317 -30.987 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.446 -11.618 -35.661 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.534 -12.968 -32.880 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -13.723 -13.134 -36.551 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -11.795 -13.803 -35.177 1.00 0.13 H new ATOM 658 N THR A 44 -19.375 -10.526 -31.759 1.00 11.45 N ATOM 659 CA THR A 44 -20.592 -9.985 -31.167 1.00 25.43 C ATOM 660 C THR A 44 -20.323 -9.419 -29.777 1.00 41.45 C ATOM 661 O THR A 44 -19.269 -9.663 -29.190 1.00 0.05 O ATOM 662 CB THR A 44 -21.694 -11.057 -31.068 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.529 -12.026 -32.109 1.00 73.22 O ATOM 664 CG2 THR A 44 -23.074 -10.426 -31.167 1.00 21.42 C ATOM 0 H THR A 44 -18.852 -11.154 -31.149 1.00 11.45 H new ATOM 0 HA THR A 44 -20.933 -9.184 -31.823 1.00 25.43 H new ATOM 0 HB THR A 44 -21.607 -11.548 -30.099 1.00 41.34 H new ATOM 0 HG1 THR A 44 -20.772 -12.610 -31.895 1.00 73.22 H new ATOM 0 HG21 THR A 44 -23.835 -11.203 -31.095 1.00 21.42 H new ATOM 0 HG22 THR A 44 -23.206 -9.711 -30.355 1.00 21.42 H new ATOM 0 HG23 THR A 44 -23.171 -9.911 -32.123 1.00 21.42 H new ATOM 672 N TYR A 45 -21.282 -8.662 -29.255 1.00 33.31 N ATOM 673 CA TYR A 45 -21.148 -8.061 -27.935 1.00 15.32 C ATOM 674 C TYR A 45 -22.239 -8.562 -26.993 1.00 4.44 C ATOM 675 O TYR A 45 -23.426 -8.316 -27.214 1.00 1.35 O ATOM 676 CB TYR A 45 -21.208 -6.535 -28.037 1.00 33.44 C ATOM 677 CG TYR A 45 -22.328 -6.032 -28.921 1.00 21.31 C ATOM 678 CD1 TYR A 45 -22.158 -5.925 -30.296 1.00 21.15 C ATOM 679 CD2 TYR A 45 -23.554 -5.663 -28.381 1.00 22.51 C ATOM 680 CE1 TYR A 45 -23.177 -5.465 -31.108 1.00 30.52 C ATOM 681 CE2 TYR A 45 -24.578 -5.204 -29.186 1.00 23.44 C ATOM 682 CZ TYR A 45 -24.386 -5.106 -30.548 1.00 60.14 C ATOM 683 OH TYR A 45 -25.404 -4.647 -31.352 1.00 31.25 O ATOM 0 H TYR A 45 -22.161 -8.450 -29.727 1.00 33.31 H new ATOM 0 HA TYR A 45 -20.180 -8.354 -27.528 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -21.329 -6.117 -27.038 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -20.258 -6.167 -28.424 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -21.213 -6.206 -30.738 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -23.709 -5.736 -27.315 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -23.028 -5.387 -32.175 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -25.525 -4.923 -28.750 1.00 23.44 H new ATOM 0 HH TYR A 45 -26.187 -4.439 -30.801 1.00 31.25 H new ATOM 693 N ASP A 46 -21.829 -9.265 -25.944 1.00 20.13 N ATOM 694 CA ASP A 46 -22.770 -9.799 -24.967 1.00 54.12 C ATOM 695 C ASP A 46 -22.714 -9.005 -23.666 1.00 74.42 C ATOM 696 O ASP A 46 -22.032 -9.396 -22.718 1.00 23.32 O ATOM 697 CB ASP A 46 -22.470 -11.273 -24.692 1.00 21.25 C ATOM 698 CG ASP A 46 -22.751 -12.155 -25.893 1.00 71.31 C ATOM 699 OD1 ASP A 46 -22.635 -13.391 -25.762 1.00 23.42 O ATOM 700 OD2 ASP A 46 -23.089 -11.608 -26.964 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.851 -9.479 -25.748 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.774 -9.711 -25.382 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.425 -11.380 -24.403 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.071 -11.612 -23.848 1.00 21.25 H new ATOM 705 N ASP A 47 -23.431 -7.889 -23.628 1.00 54.10 N ATOM 706 CA ASP A 47 -23.463 -7.038 -22.443 1.00 22.40 C ATOM 707 C ASP A 47 -23.925 -7.827 -21.222 1.00 60.53 C ATOM 708 O ASP A 47 -23.605 -7.474 -20.087 1.00 15.12 O ATOM 709 CB ASP A 47 -24.388 -5.841 -22.673 1.00 42.04 C ATOM 710 CG ASP A 47 -23.988 -4.635 -21.846 1.00 23.55 C ATOM 711 OD1 ASP A 47 -23.046 -3.923 -22.251 1.00 10.12 O ATOM 712 OD2 ASP A 47 -24.620 -4.403 -20.794 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.999 -7.551 -24.405 1.00 54.10 H new ATOM 0 HA ASP A 47 -22.452 -6.675 -22.258 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -24.376 -5.574 -23.730 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -25.412 -6.124 -22.427 1.00 42.04 H new ATOM 717 N ALA A 48 -24.679 -8.893 -21.462 1.00 73.25 N ATOM 718 CA ALA A 48 -25.185 -9.732 -20.382 1.00 64.12 C ATOM 719 C ALA A 48 -24.058 -10.162 -19.449 1.00 44.51 C ATOM 720 O ALA A 48 -24.243 -10.254 -18.235 1.00 30.41 O ATOM 721 CB ALA A 48 -25.897 -10.950 -20.949 1.00 73.11 C ATOM 0 H ALA A 48 -24.954 -9.197 -22.396 1.00 73.25 H new ATOM 0 HA ALA A 48 -25.898 -9.146 -19.803 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.269 -11.567 -20.131 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -26.733 -10.627 -21.569 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.200 -11.530 -21.553 1.00 73.11 H new ATOM 727 N THR A 49 -22.888 -10.426 -20.023 1.00 51.14 N ATOM 728 CA THR A 49 -21.732 -10.849 -19.243 1.00 43.22 C ATOM 729 C THR A 49 -20.490 -10.051 -19.624 1.00 20.11 C ATOM 730 O THR A 49 -19.370 -10.417 -19.266 1.00 63.41 O ATOM 731 CB THR A 49 -21.443 -12.350 -19.436 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.064 -12.605 -20.792 1.00 44.13 O ATOM 733 CG2 THR A 49 -22.662 -13.186 -19.078 1.00 1.21 C ATOM 0 H THR A 49 -22.716 -10.354 -21.026 1.00 51.14 H new ATOM 0 HA THR A 49 -21.972 -10.664 -18.196 1.00 43.22 H new ATOM 0 HB THR A 49 -20.624 -12.628 -18.772 1.00 2.41 H new ATOM 0 HG1 THR A 49 -20.880 -13.561 -20.906 1.00 44.13 H new ATOM 0 HG21 THR A 49 -22.434 -14.242 -19.222 1.00 1.21 H new ATOM 0 HG22 THR A 49 -22.930 -13.011 -18.036 1.00 1.21 H new ATOM 0 HG23 THR A 49 -23.497 -12.904 -19.719 1.00 1.21 H new ATOM 741 N LYS A 50 -20.695 -8.958 -20.351 1.00 43.34 N ATOM 742 CA LYS A 50 -19.592 -8.105 -20.780 1.00 34.34 C ATOM 743 C LYS A 50 -18.506 -8.926 -21.466 1.00 15.35 C ATOM 744 O LYS A 50 -17.326 -8.825 -21.124 1.00 61.42 O ATOM 745 CB LYS A 50 -19.003 -7.359 -19.581 1.00 73.32 C ATOM 746 CG LYS A 50 -19.911 -6.272 -19.033 1.00 51.01 C ATOM 747 CD LYS A 50 -20.872 -6.820 -17.992 1.00 73.55 C ATOM 748 CE LYS A 50 -21.816 -5.742 -17.482 1.00 40.03 C ATOM 749 NZ LYS A 50 -22.519 -5.047 -18.596 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.615 -8.641 -20.656 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.981 -7.380 -21.495 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -18.789 -8.075 -18.788 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -18.052 -6.913 -19.873 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -19.306 -5.481 -18.590 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -20.476 -5.822 -19.850 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -21.450 -7.637 -18.424 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -20.308 -7.235 -17.157 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -22.550 -6.190 -16.812 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -21.254 -5.014 -16.897 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -23.324 -4.509 -18.217 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -21.861 -4.396 -19.070 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -22.864 -5.750 -19.281 1.00 63.54 H new ATOM 763 N THR A 51 -18.908 -9.738 -22.439 1.00 24.34 N ATOM 764 CA THR A 51 -17.969 -10.575 -23.174 1.00 44.02 C ATOM 765 C THR A 51 -18.273 -10.562 -24.667 1.00 73.53 C ATOM 766 O THR A 51 -19.430 -10.444 -25.075 1.00 14.21 O ATOM 767 CB THR A 51 -17.997 -12.029 -22.668 1.00 41.02 C ATOM 768 OG1 THR A 51 -17.777 -12.060 -21.254 1.00 32.22 O ATOM 769 CG2 THR A 51 -16.938 -12.867 -23.368 1.00 71.14 C ATOM 0 H THR A 51 -19.879 -9.833 -22.736 1.00 24.34 H new ATOM 0 HA THR A 51 -16.976 -10.159 -23.005 1.00 44.02 H new ATOM 0 HB THR A 51 -18.977 -12.449 -22.893 1.00 41.02 H new ATOM 0 HG1 THR A 51 -18.500 -11.579 -20.800 1.00 32.22 H new ATOM 0 HG21 THR A 51 -16.977 -13.890 -22.994 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.125 -12.866 -24.442 1.00 71.14 H new ATOM 0 HG23 THR A 51 -15.952 -12.446 -23.171 1.00 71.14 H new ATOM 777 N PHE A 52 -17.229 -10.687 -25.481 1.00 5.23 N ATOM 778 CA PHE A 52 -17.386 -10.689 -26.931 1.00 4.32 C ATOM 779 C PHE A 52 -17.521 -12.114 -27.461 1.00 0.13 C ATOM 780 O PHE A 52 -16.583 -12.908 -27.387 1.00 73.45 O ATOM 781 CB PHE A 52 -16.194 -9.998 -27.595 1.00 11.55 C ATOM 782 CG PHE A 52 -15.825 -8.691 -26.953 1.00 52.41 C ATOM 783 CD1 PHE A 52 -14.547 -8.481 -26.461 1.00 44.43 C ATOM 784 CD2 PHE A 52 -16.758 -7.671 -26.840 1.00 61.32 C ATOM 785 CE1 PHE A 52 -14.205 -7.280 -25.870 1.00 54.10 C ATOM 786 CE2 PHE A 52 -16.421 -6.467 -26.250 1.00 14.44 C ATOM 787 CZ PHE A 52 -15.143 -6.272 -25.764 1.00 65.43 C ATOM 0 H PHE A 52 -16.266 -10.788 -25.161 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.297 -10.141 -27.174 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.333 -10.666 -27.562 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.424 -9.825 -28.646 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -13.809 -9.266 -26.540 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -17.759 -7.819 -27.217 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -13.205 -7.130 -25.491 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -17.156 -5.680 -26.169 1.00 14.44 H new ATOM 0 HZ PHE A 52 -14.878 -5.333 -25.302 1.00 65.43 H new ATOM 797 N THR A 53 -18.697 -12.431 -27.995 1.00 65.24 N ATOM 798 CA THR A 53 -18.957 -13.760 -28.535 1.00 62.11 C ATOM 799 C THR A 53 -18.697 -13.803 -30.036 1.00 71.13 C ATOM 800 O THR A 53 -19.353 -13.106 -30.811 1.00 25.23 O ATOM 801 CB THR A 53 -20.407 -14.202 -28.264 1.00 22.10 C ATOM 802 OG1 THR A 53 -21.246 -13.055 -28.093 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.481 -15.081 -27.024 1.00 73.15 C ATOM 0 H THR A 53 -19.484 -11.786 -28.065 1.00 65.24 H new ATOM 0 HA THR A 53 -18.276 -14.445 -28.031 1.00 62.11 H new ATOM 0 HB THR A 53 -20.754 -14.779 -29.121 1.00 22.10 H new ATOM 0 HG1 THR A 53 -22.154 -13.266 -28.394 1.00 4.10 H new ATOM 0 HG21 THR A 53 -21.515 -15.381 -26.852 1.00 73.15 H new ATOM 0 HG22 THR A 53 -19.865 -15.968 -27.170 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.117 -14.524 -26.161 1.00 73.15 H new ATOM 811 N VAL A 54 -17.734 -14.625 -30.443 1.00 32.13 N ATOM 812 CA VAL A 54 -17.389 -14.761 -31.853 1.00 13.12 C ATOM 813 C VAL A 54 -18.108 -15.949 -32.483 1.00 43.23 C ATOM 814 O VAL A 54 -17.717 -17.100 -32.289 1.00 33.41 O ATOM 815 CB VAL A 54 -15.870 -14.934 -32.044 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.509 -14.882 -33.520 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.111 -13.873 -31.262 1.00 23.13 C ATOM 0 H VAL A 54 -17.179 -15.207 -29.815 1.00 32.13 H new ATOM 0 HA VAL A 54 -17.708 -13.844 -32.347 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.581 -15.912 -31.659 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.432 -15.006 -33.636 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -16.025 -15.683 -34.049 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -15.810 -13.920 -33.935 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.040 -14.010 -31.408 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.402 -12.883 -31.615 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.347 -13.964 -30.202 1.00 23.13 H new ATOM 827 N THR A 55 -19.162 -15.661 -33.239 1.00 72.51 N ATOM 828 CA THR A 55 -19.938 -16.704 -33.898 1.00 13.41 C ATOM 829 C THR A 55 -19.569 -16.814 -35.374 1.00 72.34 C ATOM 830 O THR A 55 -20.009 -16.008 -36.193 1.00 31.15 O ATOM 831 CB THR A 55 -21.450 -16.442 -33.776 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.809 -16.275 -32.400 1.00 62.32 O ATOM 833 CG2 THR A 55 -22.248 -17.589 -34.379 1.00 41.24 C ATOM 0 H THR A 55 -19.498 -14.713 -33.410 1.00 72.51 H new ATOM 0 HA THR A 55 -19.699 -17.641 -33.396 1.00 13.41 H new ATOM 0 HB THR A 55 -21.684 -15.530 -34.325 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.772 -16.107 -32.331 1.00 62.32 H new ATOM 0 HG21 THR A 55 -23.314 -17.382 -34.281 1.00 41.24 H new ATOM 0 HG22 THR A 55 -21.994 -17.694 -35.434 1.00 41.24 H new ATOM 0 HG23 THR A 55 -22.009 -18.514 -33.854 1.00 41.24 H new ATOM 841 N GLU A 56 -18.761 -17.816 -35.704 1.00 35.15 N ATOM 842 CA GLU A 56 -18.334 -18.030 -37.082 1.00 50.02 C ATOM 843 C GLU A 56 -19.493 -18.527 -37.940 1.00 33.31 C ATOM 844 O GLU A 56 -19.550 -18.259 -39.140 1.00 34.50 O ATOM 845 CB GLU A 56 -17.181 -19.034 -37.132 1.00 71.10 C ATOM 846 CG GLU A 56 -15.871 -18.483 -36.595 1.00 33.33 C ATOM 847 CD GLU A 56 -14.958 -19.569 -36.060 1.00 43.00 C ATOM 848 OE1 GLU A 56 -14.983 -20.690 -36.611 1.00 54.40 O ATOM 849 OE2 GLU A 56 -14.218 -19.299 -35.091 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.389 -18.492 -35.037 1.00 35.15 H new ATOM 0 HA GLU A 56 -17.992 -17.075 -37.482 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -17.456 -19.919 -36.558 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -17.035 -19.356 -38.163 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -15.357 -17.940 -37.388 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -16.081 -17.766 -35.801 1.00 33.33 H new TER 856 GLU A 56