USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 28 ASN : amide:sc= -5.06! C(o=-5.1!,f=-16!) USER MOD Set 1.2: A 30 SER OG : rot 180:sc=-0.00181 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 88:sc= -0.485! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 63:sc= 0.205 USER MOD Single : A 19 THR OG1 : rot 41:sc= 0.249 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.52! C(o=-3.5!,f=-4.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.882! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 92:sc= 0.0393 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 0.996 (180deg=0.555) USER MOD Single : A 44 THR OG1 : rot -140:sc= -2.51! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.35 K(o=-1.3,f=0.023) USER MOD Single : A 61 TYR OH : rot 32:sc= -0.102 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -36:sc= -2.58! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -38.832 -37.213 -11.968 1.00 0.00 N ATOM 2 CA GLU A 1 -38.839 -35.834 -12.538 1.00 0.00 C ATOM 3 C GLU A 1 -38.879 -34.811 -11.400 1.00 0.00 C ATOM 4 O GLU A 1 -39.819 -34.756 -10.634 1.00 0.00 O ATOM 5 CB GLU A 1 -40.071 -35.656 -13.430 1.00 0.00 C ATOM 6 CG GLU A 1 -39.702 -34.802 -14.645 1.00 0.00 C ATOM 7 CD GLU A 1 -39.757 -33.322 -14.266 1.00 0.00 C ATOM 8 OE1 GLU A 1 -38.986 -32.921 -13.411 1.00 0.00 O ATOM 9 OE2 GLU A 1 -40.568 -32.612 -14.839 1.00 0.00 O ATOM 0 H1 GLU A 1 -38.805 -37.908 -12.741 1.00 0.00 H new ATOM 0 H2 GLU A 1 -37.994 -37.335 -11.364 1.00 0.00 H new ATOM 0 H3 GLU A 1 -39.692 -37.359 -11.401 1.00 0.00 H new ATOM 0 HA GLU A 1 -37.937 -35.682 -13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -40.442 -36.628 -13.755 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -40.874 -35.180 -12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -38.703 -35.061 -14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -40.390 -35.003 -15.466 1.00 0.00 H new ATOM 18 N ASN A 2 -37.863 -33.997 -11.284 1.00 0.00 N ATOM 19 CA ASN A 2 -37.843 -32.978 -10.196 1.00 0.00 C ATOM 20 C ASN A 2 -38.058 -31.587 -10.796 1.00 0.00 C ATOM 21 O ASN A 2 -37.354 -31.175 -11.697 1.00 0.00 O ATOM 22 CB ASN A 2 -36.491 -33.021 -9.481 1.00 0.00 C ATOM 23 CG ASN A 2 -36.463 -31.964 -8.377 1.00 0.00 C ATOM 24 OD1 ASN A 2 -37.451 -31.742 -7.707 1.00 0.00 O ATOM 25 ND2 ASN A 2 -35.363 -31.298 -8.156 1.00 0.00 N ATOM 0 H ASN A 2 -37.047 -33.994 -11.896 1.00 0.00 H new ATOM 0 HA ASN A 2 -38.638 -33.193 -9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -36.324 -34.011 -9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -35.686 -32.840 -10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -35.334 -30.592 -7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -34.533 -31.484 -8.718 1.00 0.00 H new ATOM 32 N LYS A 3 -39.021 -30.856 -10.303 1.00 0.00 N ATOM 33 CA LYS A 3 -39.270 -29.491 -10.848 1.00 0.00 C ATOM 34 C LYS A 3 -38.411 -28.475 -10.092 1.00 0.00 C ATOM 35 O LYS A 3 -37.636 -28.829 -9.226 1.00 0.00 O ATOM 36 CB LYS A 3 -40.755 -29.132 -10.712 1.00 0.00 C ATOM 37 CG LYS A 3 -41.215 -29.306 -9.262 1.00 0.00 C ATOM 38 CD LYS A 3 -42.713 -29.009 -9.171 1.00 0.00 C ATOM 39 CE LYS A 3 -42.934 -27.735 -8.355 1.00 0.00 C ATOM 40 NZ LYS A 3 -44.353 -27.674 -7.909 1.00 0.00 N ATOM 0 H LYS A 3 -39.644 -31.144 -9.549 1.00 0.00 H new ATOM 0 HA LYS A 3 -39.003 -29.471 -11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -40.918 -28.102 -11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -41.351 -29.767 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -41.012 -30.322 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -40.658 -28.635 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -43.132 -28.890 -10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -43.232 -29.846 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -42.269 -27.723 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -42.692 -26.858 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -44.505 -26.808 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -44.978 -27.667 -8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -44.568 -28.505 -7.321 1.00 0.00 H new ATOM 54 N GLU A 4 -38.527 -27.217 -10.422 1.00 0.00 N ATOM 55 CA GLU A 4 -37.699 -26.185 -9.730 1.00 0.00 C ATOM 56 C GLU A 4 -38.556 -25.383 -8.751 1.00 0.00 C ATOM 57 O GLU A 4 -39.731 -25.635 -8.582 1.00 0.00 O ATOM 58 CB GLU A 4 -37.109 -25.234 -10.771 1.00 0.00 C ATOM 59 CG GLU A 4 -35.592 -25.418 -10.830 1.00 0.00 C ATOM 60 CD GLU A 4 -34.909 -24.128 -10.371 1.00 0.00 C ATOM 61 OE1 GLU A 4 -35.367 -23.552 -9.397 1.00 0.00 O ATOM 62 OE2 GLU A 4 -33.940 -23.738 -11.002 1.00 0.00 O ATOM 0 H GLU A 4 -39.158 -26.859 -11.139 1.00 0.00 H new ATOM 0 HA GLU A 4 -36.902 -26.683 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -37.548 -25.431 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -37.351 -24.202 -10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -35.290 -26.250 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -35.283 -25.665 -11.846 1.00 0.00 H new ATOM 69 N GLU A 5 -37.968 -24.410 -8.107 1.00 0.00 N ATOM 70 CA GLU A 5 -38.733 -23.576 -7.139 1.00 0.00 C ATOM 71 C GLU A 5 -37.858 -22.407 -6.675 1.00 0.00 C ATOM 72 O GLU A 5 -37.363 -22.393 -5.566 1.00 0.00 O ATOM 73 CB GLU A 5 -39.130 -24.424 -5.929 1.00 0.00 C ATOM 74 CG GLU A 5 -37.897 -25.144 -5.380 1.00 0.00 C ATOM 75 CD GLU A 5 -38.340 -26.318 -4.506 1.00 0.00 C ATOM 76 OE1 GLU A 5 -38.618 -26.092 -3.340 1.00 0.00 O ATOM 77 OE2 GLU A 5 -38.397 -27.423 -5.017 1.00 0.00 O ATOM 0 H GLU A 5 -36.985 -24.157 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 5 -39.632 -23.193 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -39.568 -23.791 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -39.890 -25.151 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -37.276 -25.502 -6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -37.288 -24.453 -4.798 1.00 0.00 H new ATOM 84 N THR A 6 -37.664 -21.426 -7.515 1.00 0.00 N ATOM 85 CA THR A 6 -36.820 -20.261 -7.118 1.00 0.00 C ATOM 86 C THR A 6 -35.390 -20.745 -6.848 1.00 0.00 C ATOM 87 O THR A 6 -35.191 -21.852 -6.391 1.00 0.00 O ATOM 88 CB THR A 6 -37.392 -19.615 -5.852 1.00 0.00 C ATOM 89 OG1 THR A 6 -38.606 -20.263 -5.496 1.00 0.00 O ATOM 90 CG2 THR A 6 -37.665 -18.132 -6.109 1.00 0.00 C ATOM 0 H THR A 6 -38.052 -21.380 -8.457 1.00 0.00 H new ATOM 0 HA THR A 6 -36.813 -19.525 -7.922 1.00 0.00 H new ATOM 0 HB THR A 6 -36.672 -19.715 -5.040 1.00 0.00 H new ATOM 0 HG1 THR A 6 -38.410 -21.028 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 6 -38.072 -17.675 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 6 -36.735 -17.633 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 6 -38.383 -18.030 -6.923 1.00 0.00 H new ATOM 98 N PRO A 7 -34.435 -19.899 -7.145 1.00 0.00 N ATOM 99 CA PRO A 7 -33.010 -20.224 -6.947 1.00 0.00 C ATOM 100 C PRO A 7 -32.723 -20.478 -5.465 1.00 0.00 C ATOM 101 O PRO A 7 -33.154 -19.735 -4.604 1.00 0.00 O ATOM 102 CB PRO A 7 -32.253 -18.983 -7.441 1.00 0.00 C ATOM 103 CG PRO A 7 -33.304 -17.941 -7.904 1.00 0.00 C ATOM 104 CD PRO A 7 -34.697 -18.557 -7.695 1.00 0.00 C ATOM 0 HA PRO A 7 -32.712 -21.125 -7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -31.632 -18.572 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -31.586 -19.244 -8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -33.205 -17.018 -7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -33.152 -17.685 -8.953 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -35.296 -17.958 -7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -35.249 -18.615 -8.633 1.00 0.00 H new ATOM 112 N GLU A 8 -31.997 -21.520 -5.162 1.00 0.00 N ATOM 113 CA GLU A 8 -31.680 -21.824 -3.738 1.00 0.00 C ATOM 114 C GLU A 8 -31.289 -20.531 -3.021 1.00 0.00 C ATOM 115 O GLU A 8 -30.479 -19.765 -3.504 1.00 0.00 O ATOM 116 CB GLU A 8 -30.514 -22.814 -3.676 1.00 0.00 C ATOM 117 CG GLU A 8 -30.920 -24.123 -4.357 1.00 0.00 C ATOM 118 CD GLU A 8 -31.692 -24.997 -3.366 1.00 0.00 C ATOM 119 OE1 GLU A 8 -31.391 -24.925 -2.186 1.00 0.00 O ATOM 120 OE2 GLU A 8 -32.570 -25.721 -3.803 1.00 0.00 O ATOM 0 H GLU A 8 -31.609 -22.175 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 8 -32.553 -22.261 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -29.638 -22.392 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -30.237 -23.002 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -31.537 -23.914 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -30.034 -24.651 -4.711 1.00 0.00 H new ATOM 127 N THR A 9 -31.864 -20.280 -1.874 1.00 0.00 N ATOM 128 CA THR A 9 -31.531 -19.033 -1.128 1.00 0.00 C ATOM 129 C THR A 9 -30.019 -18.783 -1.194 1.00 0.00 C ATOM 130 O THR A 9 -29.250 -19.508 -0.594 1.00 0.00 O ATOM 131 CB THR A 9 -31.958 -19.187 0.334 1.00 0.00 C ATOM 132 OG1 THR A 9 -31.198 -18.301 1.143 1.00 0.00 O ATOM 133 CG2 THR A 9 -31.721 -20.626 0.788 1.00 0.00 C ATOM 0 H THR A 9 -32.550 -20.885 -1.423 1.00 0.00 H new ATOM 0 HA THR A 9 -32.057 -18.190 -1.576 1.00 0.00 H new ATOM 0 HB THR A 9 -33.017 -18.949 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 -31.471 -18.397 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 9 -32.025 -20.734 1.829 1.00 0.00 H new ATOM 0 HG22 THR A 9 -32.306 -21.304 0.167 1.00 0.00 H new ATOM 0 HG23 THR A 9 -30.662 -20.868 0.693 1.00 0.00 H new ATOM 141 N PRO A 10 -29.632 -17.763 -1.926 1.00 0.00 N ATOM 142 CA PRO A 10 -28.209 -17.409 -2.080 1.00 0.00 C ATOM 143 C PRO A 10 -27.584 -17.127 -0.713 1.00 0.00 C ATOM 144 O PRO A 10 -27.851 -16.117 -0.090 1.00 0.00 O ATOM 145 CB PRO A 10 -28.209 -16.146 -2.950 1.00 0.00 C ATOM 146 CG PRO A 10 -29.681 -15.820 -3.312 1.00 0.00 C ATOM 147 CD PRO A 10 -30.570 -16.885 -2.651 1.00 0.00 C ATOM 0 HA PRO A 10 -27.627 -18.212 -2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -27.754 -15.313 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.620 -16.304 -3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -29.950 -14.824 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -29.819 -15.824 -4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -31.292 -16.431 -1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -31.139 -17.443 -3.395 1.00 0.00 H new ATOM 155 N GLU A 11 -26.754 -18.015 -0.239 1.00 0.00 N ATOM 156 CA GLU A 11 -26.113 -17.803 1.087 1.00 0.00 C ATOM 157 C GLU A 11 -24.725 -17.190 0.895 1.00 0.00 C ATOM 158 O GLU A 11 -23.795 -17.499 1.614 1.00 0.00 O ATOM 159 CB GLU A 11 -25.978 -19.145 1.808 1.00 0.00 C ATOM 160 CG GLU A 11 -27.114 -19.300 2.821 1.00 0.00 C ATOM 161 CD GLU A 11 -26.678 -20.264 3.926 1.00 0.00 C ATOM 162 OE1 GLU A 11 -26.087 -19.804 4.887 1.00 0.00 O ATOM 163 OE2 GLU A 11 -26.943 -21.447 3.789 1.00 0.00 O ATOM 0 H GLU A 11 -26.492 -18.879 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 11 -26.729 -17.128 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -26.007 -19.961 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -25.015 -19.202 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -27.370 -18.331 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -28.009 -19.677 2.326 1.00 0.00 H new ATOM 170 N THR A 12 -24.574 -16.323 -0.067 1.00 0.00 N ATOM 171 CA THR A 12 -23.246 -15.697 -0.298 1.00 0.00 C ATOM 172 C THR A 12 -23.359 -14.182 -0.177 1.00 0.00 C ATOM 173 O THR A 12 -22.701 -13.555 0.629 1.00 0.00 O ATOM 174 CB THR A 12 -22.746 -16.061 -1.696 1.00 0.00 C ATOM 175 OG1 THR A 12 -23.068 -17.416 -1.976 1.00 0.00 O ATOM 176 CG2 THR A 12 -21.230 -15.870 -1.763 1.00 0.00 C ATOM 0 H THR A 12 -25.313 -16.022 -0.702 1.00 0.00 H new ATOM 0 HA THR A 12 -22.542 -16.065 0.449 1.00 0.00 H new ATOM 0 HB THR A 12 -23.224 -15.415 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.749 -17.649 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 12 -20.874 -16.130 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 12 -20.985 -14.830 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.749 -16.514 -1.027 1.00 0.00 H new ATOM 184 N ASP A 13 -24.186 -13.596 -0.982 1.00 0.00 N ATOM 185 CA ASP A 13 -24.358 -12.117 -0.943 1.00 0.00 C ATOM 186 C ASP A 13 -25.050 -11.662 -2.229 1.00 0.00 C ATOM 187 O ASP A 13 -24.764 -12.153 -3.301 1.00 0.00 O ATOM 188 CB ASP A 13 -22.984 -11.449 -0.842 1.00 0.00 C ATOM 189 CG ASP A 13 -22.869 -10.716 0.497 1.00 0.00 C ATOM 190 OD1 ASP A 13 -23.675 -9.833 0.738 1.00 0.00 O ATOM 191 OD2 ASP A 13 -21.976 -11.052 1.258 1.00 0.00 O ATOM 0 H ASP A 13 -24.759 -14.078 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 13 -24.962 -11.838 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -22.197 -12.198 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -22.847 -10.748 -1.665 1.00 0.00 H new ATOM 196 N SER A 14 -25.961 -10.733 -2.133 1.00 0.00 N ATOM 197 CA SER A 14 -26.666 -10.256 -3.357 1.00 0.00 C ATOM 198 C SER A 14 -25.824 -9.181 -4.048 1.00 0.00 C ATOM 199 O SER A 14 -26.218 -8.034 -4.138 1.00 0.00 O ATOM 200 CB SER A 14 -28.024 -9.669 -2.973 1.00 0.00 C ATOM 201 OG SER A 14 -27.843 -8.692 -1.956 1.00 0.00 O ATOM 0 H SER A 14 -26.247 -10.284 -1.263 1.00 0.00 H new ATOM 0 HA SER A 14 -26.813 -11.095 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 14 -28.498 -9.219 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 14 -28.688 -10.459 -2.621 1.00 0.00 H new ATOM 0 HG SER A 14 -27.295 -7.957 -2.302 1.00 0.00 H new ATOM 207 N GLU A 15 -24.671 -9.539 -4.539 1.00 0.00 N ATOM 208 CA GLU A 15 -23.807 -8.538 -5.224 1.00 0.00 C ATOM 209 C GLU A 15 -23.246 -7.554 -4.195 1.00 0.00 C ATOM 210 O GLU A 15 -22.644 -6.557 -4.540 1.00 0.00 O ATOM 211 CB GLU A 15 -24.635 -7.780 -6.262 1.00 0.00 C ATOM 212 CG GLU A 15 -24.055 -8.030 -7.656 1.00 0.00 C ATOM 213 CD GLU A 15 -24.578 -6.969 -8.626 1.00 0.00 C ATOM 214 OE1 GLU A 15 -25.769 -6.969 -8.885 1.00 0.00 O ATOM 215 OE2 GLU A 15 -23.777 -6.175 -9.093 1.00 0.00 O ATOM 0 H GLU A 15 -24.289 -10.484 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 15 -22.981 -9.048 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -25.674 -8.108 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -24.629 -6.713 -6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.966 -7.999 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -24.334 -9.025 -8.004 1.00 0.00 H new ATOM 222 N GLU A 16 -23.437 -7.828 -2.932 1.00 0.00 N ATOM 223 CA GLU A 16 -22.915 -6.911 -1.878 1.00 0.00 C ATOM 224 C GLU A 16 -23.440 -5.495 -2.122 1.00 0.00 C ATOM 225 O GLU A 16 -23.947 -5.183 -3.181 1.00 0.00 O ATOM 226 CB GLU A 16 -21.386 -6.905 -1.917 1.00 0.00 C ATOM 227 CG GLU A 16 -20.857 -8.166 -1.234 1.00 0.00 C ATOM 228 CD GLU A 16 -20.575 -7.867 0.240 1.00 0.00 C ATOM 229 OE1 GLU A 16 -20.883 -6.769 0.671 1.00 0.00 O ATOM 230 OE2 GLU A 16 -20.055 -8.744 0.911 1.00 0.00 O ATOM 0 H GLU A 16 -23.933 -8.649 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 16 -23.251 -7.256 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.038 -6.863 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.002 -6.017 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.586 -8.972 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.947 -8.506 -1.728 1.00 0.00 H new ATOM 237 N GLU A 17 -23.319 -4.633 -1.150 1.00 0.00 N ATOM 238 CA GLU A 17 -23.807 -3.238 -1.327 1.00 0.00 C ATOM 239 C GLU A 17 -22.919 -2.512 -2.338 1.00 0.00 C ATOM 240 O GLU A 17 -23.392 -1.973 -3.319 1.00 0.00 O ATOM 241 CB GLU A 17 -23.756 -2.503 0.013 1.00 0.00 C ATOM 242 CG GLU A 17 -25.179 -2.215 0.496 1.00 0.00 C ATOM 243 CD GLU A 17 -25.233 -0.819 1.117 1.00 0.00 C ATOM 244 OE1 GLU A 17 -24.563 -0.609 2.115 1.00 0.00 O ATOM 245 OE2 GLU A 17 -25.943 0.017 0.583 1.00 0.00 O ATOM 0 H GLU A 17 -22.903 -4.835 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 17 -24.834 -3.258 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.226 -3.106 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.202 -1.571 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -25.878 -2.281 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -25.484 -2.963 1.228 1.00 0.00 H new ATOM 252 N VAL A 18 -21.633 -2.491 -2.107 1.00 0.00 N ATOM 253 CA VAL A 18 -20.721 -1.794 -3.062 1.00 0.00 C ATOM 254 C VAL A 18 -19.306 -2.359 -2.932 1.00 0.00 C ATOM 255 O VAL A 18 -18.711 -2.342 -1.873 1.00 0.00 O ATOM 256 CB VAL A 18 -20.693 -0.285 -2.773 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.237 0.470 -3.986 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.552 0.043 -1.545 1.00 0.00 C ATOM 0 H VAL A 18 -21.176 -2.923 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.090 -1.956 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.665 0.017 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.219 1.541 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.618 0.253 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.262 0.154 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.521 1.116 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.582 -0.263 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.165 -0.491 -0.677 1.00 0.00 H new ATOM 268 N THR A 19 -18.760 -2.854 -4.009 1.00 0.00 N ATOM 269 CA THR A 19 -17.380 -3.415 -3.963 1.00 0.00 C ATOM 270 C THR A 19 -16.384 -2.325 -4.357 1.00 0.00 C ATOM 271 O THR A 19 -16.430 -1.800 -5.452 1.00 0.00 O ATOM 272 CB THR A 19 -17.267 -4.567 -4.962 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.906 -4.199 -6.176 1.00 0.00 O ATOM 274 CG2 THR A 19 -17.939 -5.817 -4.392 1.00 0.00 C ATOM 0 H THR A 19 -19.212 -2.894 -4.922 1.00 0.00 H new ATOM 0 HA THR A 19 -17.166 -3.774 -2.956 1.00 0.00 H new ATOM 0 HB THR A 19 -16.215 -4.780 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.696 -3.265 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.855 -6.634 -5.109 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.450 -6.100 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.992 -5.609 -4.201 1.00 0.00 H new ATOM 282 N ILE A 20 -15.481 -1.979 -3.484 1.00 0.00 N ATOM 283 CA ILE A 20 -14.487 -0.926 -3.825 1.00 0.00 C ATOM 284 C ILE A 20 -13.199 -1.613 -4.267 1.00 0.00 C ATOM 285 O ILE A 20 -13.084 -2.820 -4.195 1.00 0.00 O ATOM 286 CB ILE A 20 -14.235 -0.063 -2.589 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.409 1.168 -2.960 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.499 -0.874 -1.531 1.00 0.00 C ATOM 289 CD1 ILE A 20 -13.956 2.370 -2.194 1.00 0.00 C ATOM 0 H ILE A 20 -15.388 -2.379 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.854 -0.288 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.196 0.263 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.359 1.008 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.460 1.348 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.323 -0.252 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.102 -1.737 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.544 -1.214 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.377 3.258 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.000 2.529 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.882 2.183 -1.123 1.00 0.00 H new ATOM 301 N LYS A 21 -12.228 -0.882 -4.732 1.00 0.00 N ATOM 302 CA LYS A 21 -10.983 -1.560 -5.170 1.00 0.00 C ATOM 303 C LYS A 21 -9.810 -0.578 -5.221 1.00 0.00 C ATOM 304 O LYS A 21 -9.913 0.512 -5.748 1.00 0.00 O ATOM 305 CB LYS A 21 -11.212 -2.156 -6.557 1.00 0.00 C ATOM 306 CG LYS A 21 -9.989 -2.971 -6.973 1.00 0.00 C ATOM 307 CD LYS A 21 -10.019 -3.204 -8.487 1.00 0.00 C ATOM 308 CE LYS A 21 -9.841 -1.873 -9.223 1.00 0.00 C ATOM 309 NZ LYS A 21 -9.881 -2.109 -10.695 1.00 0.00 N ATOM 0 H LYS A 21 -12.241 0.134 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.736 -2.344 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.099 -2.790 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.395 -1.361 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.076 -2.445 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.980 -3.926 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.227 -3.896 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.964 -3.665 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.629 -1.177 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.893 -1.415 -8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.760 -1.205 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.114 -2.758 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.797 -2.528 -10.955 1.00 0.00 H new ATOM 323 N ALA A 22 -8.688 -0.982 -4.691 1.00 0.00 N ATOM 324 CA ALA A 22 -7.480 -0.111 -4.714 1.00 0.00 C ATOM 325 C ALA A 22 -6.434 -0.780 -5.608 1.00 0.00 C ATOM 326 O ALA A 22 -6.640 -1.875 -6.090 1.00 0.00 O ATOM 327 CB ALA A 22 -6.927 0.037 -3.294 1.00 0.00 C ATOM 0 H ALA A 22 -8.556 -1.887 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.730 0.878 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.043 0.675 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.685 0.487 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.658 -0.945 -2.904 1.00 0.00 H new ATOM 333 N ASN A 23 -5.317 -0.151 -5.837 1.00 0.00 N ATOM 334 CA ASN A 23 -4.286 -0.792 -6.701 1.00 0.00 C ATOM 335 C ASN A 23 -2.889 -0.354 -6.272 1.00 0.00 C ATOM 336 O ASN A 23 -2.645 0.805 -6.020 1.00 0.00 O ATOM 337 CB ASN A 23 -4.519 -0.408 -8.157 1.00 0.00 C ATOM 338 CG ASN A 23 -5.196 -1.556 -8.897 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.543 -2.330 -9.568 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.489 -1.692 -8.811 1.00 0.00 N ATOM 0 H ASN A 23 -5.073 0.769 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.365 -1.874 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.140 0.486 -8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.569 -0.166 -8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.956 -2.450 -9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.034 -1.040 -8.247 1.00 0.00 H new ATOM 347 N LEU A 24 -1.968 -1.276 -6.181 1.00 0.00 N ATOM 348 CA LEU A 24 -0.591 -0.905 -5.754 1.00 0.00 C ATOM 349 C LEU A 24 0.383 -1.048 -6.922 1.00 0.00 C ATOM 350 O LEU A 24 1.093 -2.026 -7.037 1.00 0.00 O ATOM 351 CB LEU A 24 -0.163 -1.816 -4.610 1.00 0.00 C ATOM 352 CG LEU A 24 -1.346 -1.997 -3.667 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.737 -3.466 -3.640 1.00 0.00 C ATOM 354 CD2 LEU A 24 -0.954 -1.534 -2.262 1.00 0.00 C ATOM 0 H LEU A 24 -2.110 -2.266 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.584 0.133 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.164 -2.781 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.683 -1.383 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.192 -1.403 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.583 -3.605 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.015 -3.787 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.893 -4.061 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.800 -1.663 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.111 -2.127 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.671 -0.482 -2.291 1.00 0.00 H new ATOM 366 N ILE A 25 0.426 -0.074 -7.785 1.00 0.00 N ATOM 367 CA ILE A 25 1.357 -0.141 -8.944 1.00 0.00 C ATOM 368 C ILE A 25 2.696 0.484 -8.551 1.00 0.00 C ATOM 369 O ILE A 25 2.740 1.468 -7.846 1.00 0.00 O ATOM 370 CB ILE A 25 0.758 0.640 -10.112 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.742 0.337 -10.200 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.451 0.227 -11.414 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.283 0.775 -11.562 1.00 0.00 C ATOM 0 H ILE A 25 -0.146 0.769 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 25 1.510 -1.180 -9.236 1.00 0.00 H new ATOM 0 HB ILE A 25 0.904 1.709 -9.956 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.915 -0.729 -10.056 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.274 0.857 -9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.023 0.785 -12.247 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.517 0.442 -11.343 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.307 -0.841 -11.580 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.349 0.557 -11.617 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.125 1.846 -11.689 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.761 0.235 -12.352 1.00 0.00 H new ATOM 385 N PHE A 26 3.789 -0.070 -8.997 1.00 0.00 N ATOM 386 CA PHE A 26 5.104 0.519 -8.635 1.00 0.00 C ATOM 387 C PHE A 26 5.878 0.878 -9.892 1.00 0.00 C ATOM 388 O PHE A 26 5.588 0.425 -10.982 1.00 0.00 O ATOM 389 CB PHE A 26 5.915 -0.473 -7.827 1.00 0.00 C ATOM 390 CG PHE A 26 5.337 -0.589 -6.438 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.241 -1.426 -6.197 1.00 0.00 C ATOM 392 CD2 PHE A 26 5.897 0.151 -5.388 1.00 0.00 C ATOM 393 CE1 PHE A 26 3.705 -1.523 -4.906 1.00 0.00 C ATOM 394 CE2 PHE A 26 5.362 0.053 -4.098 1.00 0.00 C ATOM 395 CZ PHE A 26 4.266 -0.784 -3.857 1.00 0.00 C ATOM 0 H PHE A 26 3.827 -0.898 -9.591 1.00 0.00 H new ATOM 0 HA PHE A 26 4.928 1.417 -8.043 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.909 -1.447 -8.317 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.955 -0.150 -7.773 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.809 -1.997 -7.006 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.742 0.797 -5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.859 -2.168 -4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.795 0.623 -3.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.853 -0.860 -2.862 1.00 0.00 H new ATOM 405 N ALA A 27 6.871 1.691 -9.727 1.00 0.00 N ATOM 406 CA ALA A 27 7.712 2.113 -10.880 1.00 0.00 C ATOM 407 C ALA A 27 8.784 1.059 -11.148 1.00 0.00 C ATOM 408 O ALA A 27 9.315 0.958 -12.238 1.00 0.00 O ATOM 409 CB ALA A 27 8.379 3.454 -10.565 1.00 0.00 C ATOM 0 H ALA A 27 7.145 2.091 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 27 7.083 2.220 -11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.995 3.762 -11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.613 4.207 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.005 3.350 -9.679 1.00 0.00 H new ATOM 415 N ASN A 28 9.120 0.283 -10.154 1.00 0.00 N ATOM 416 CA ASN A 28 10.168 -0.753 -10.335 1.00 0.00 C ATOM 417 C ASN A 28 9.705 -1.794 -11.353 1.00 0.00 C ATOM 418 O ASN A 28 10.505 -2.482 -11.956 1.00 0.00 O ATOM 419 CB ASN A 28 10.438 -1.419 -8.989 1.00 0.00 C ATOM 420 CG ASN A 28 9.166 -2.097 -8.482 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.072 -1.640 -8.747 1.00 0.00 O ATOM 422 ND2 ASN A 28 9.265 -3.176 -7.755 1.00 0.00 N ATOM 0 H ASN A 28 8.710 0.325 -9.221 1.00 0.00 H new ATOM 0 HA ASN A 28 11.083 -0.291 -10.706 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.237 -2.154 -9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.778 -0.676 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.423 -3.637 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.184 -3.559 -7.533 1.00 0.00 H new ATOM 429 N GLY A 29 8.423 -1.917 -11.558 1.00 0.00 N ATOM 430 CA GLY A 29 7.923 -2.913 -12.546 1.00 0.00 C ATOM 431 C GLY A 29 7.062 -3.957 -11.835 1.00 0.00 C ATOM 432 O GLY A 29 6.599 -4.906 -12.437 1.00 0.00 O ATOM 0 H GLY A 29 7.702 -1.372 -11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.340 -2.412 -13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.762 -3.398 -13.044 1.00 0.00 H new ATOM 436 N SER A 30 6.840 -3.791 -10.561 1.00 0.00 N ATOM 437 CA SER A 30 6.007 -4.774 -9.819 1.00 0.00 C ATOM 438 C SER A 30 4.650 -4.147 -9.507 1.00 0.00 C ATOM 439 O SER A 30 4.410 -3.671 -8.417 1.00 0.00 O ATOM 440 CB SER A 30 6.706 -5.157 -8.516 1.00 0.00 C ATOM 441 OG SER A 30 8.019 -5.622 -8.806 1.00 0.00 O ATOM 0 H SER A 30 7.200 -3.017 -10.003 1.00 0.00 H new ATOM 0 HA SER A 30 5.866 -5.668 -10.427 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.752 -4.297 -7.848 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.139 -5.932 -8.000 1.00 0.00 H new ATOM 0 HG SER A 30 8.471 -5.867 -7.972 1.00 0.00 H new ATOM 447 N THR A 31 3.759 -4.136 -10.459 1.00 0.00 N ATOM 448 CA THR A 31 2.422 -3.533 -10.212 1.00 0.00 C ATOM 449 C THR A 31 1.543 -4.543 -9.470 1.00 0.00 C ATOM 450 O THR A 31 1.754 -5.737 -9.547 1.00 0.00 O ATOM 451 CB THR A 31 1.766 -3.159 -11.546 1.00 0.00 C ATOM 452 OG1 THR A 31 0.946 -4.233 -11.987 1.00 0.00 O ATOM 453 CG2 THR A 31 2.844 -2.871 -12.596 1.00 0.00 C ATOM 0 H THR A 31 3.899 -4.518 -11.394 1.00 0.00 H new ATOM 0 HA THR A 31 2.535 -2.633 -9.608 1.00 0.00 H new ATOM 0 HB THR A 31 1.156 -2.266 -11.408 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.525 -3.994 -12.839 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.370 -2.606 -13.541 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.469 -2.044 -12.259 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.462 -3.758 -12.736 1.00 0.00 H new ATOM 461 N GLN A 32 0.559 -4.076 -8.749 1.00 0.00 N ATOM 462 CA GLN A 32 -0.325 -5.013 -8.001 1.00 0.00 C ATOM 463 C GLN A 32 -1.711 -4.387 -7.843 1.00 0.00 C ATOM 464 O GLN A 32 -1.959 -3.287 -8.294 1.00 0.00 O ATOM 465 CB GLN A 32 0.276 -5.282 -6.620 1.00 0.00 C ATOM 466 CG GLN A 32 0.639 -6.762 -6.505 1.00 0.00 C ATOM 467 CD GLN A 32 1.726 -6.940 -5.443 1.00 0.00 C ATOM 468 OE1 GLN A 32 2.900 -6.843 -5.737 1.00 0.00 O ATOM 469 NE2 GLN A 32 1.379 -7.195 -4.211 1.00 0.00 N ATOM 0 H GLN A 32 0.330 -3.087 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.412 -5.951 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.163 -4.666 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.437 -5.009 -5.842 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.243 -7.344 -6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.990 -7.137 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.392 -7.276 -3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.094 -7.313 -3.494 1.00 0.00 H new ATOM 478 N THR A 33 -2.620 -5.081 -7.211 1.00 0.00 N ATOM 479 CA THR A 33 -3.989 -4.521 -7.034 1.00 0.00 C ATOM 480 C THR A 33 -4.576 -4.986 -5.697 1.00 0.00 C ATOM 481 O THR A 33 -3.974 -5.753 -4.973 1.00 0.00 O ATOM 482 CB THR A 33 -4.889 -5.005 -8.173 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.228 -5.102 -7.710 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.420 -6.378 -8.658 1.00 0.00 C ATOM 0 H THR A 33 -2.473 -6.008 -6.811 1.00 0.00 H new ATOM 0 HA THR A 33 -3.932 -3.433 -7.044 1.00 0.00 H new ATOM 0 HB THR A 33 -4.836 -4.294 -8.998 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.805 -5.410 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.065 -6.717 -9.469 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.393 -6.306 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.467 -7.091 -7.834 1.00 0.00 H new ATOM 492 N ALA A 34 -5.755 -4.526 -5.373 1.00 0.00 N ATOM 493 CA ALA A 34 -6.401 -4.936 -4.092 1.00 0.00 C ATOM 494 C ALA A 34 -7.906 -4.666 -4.183 1.00 0.00 C ATOM 495 O ALA A 34 -8.360 -3.943 -5.047 1.00 0.00 O ATOM 496 CB ALA A 34 -5.805 -4.129 -2.937 1.00 0.00 C ATOM 0 H ALA A 34 -6.301 -3.881 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.227 -5.997 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.277 -4.429 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.733 -4.315 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.980 -3.067 -3.107 1.00 0.00 H new ATOM 502 N GLU A 35 -8.688 -5.238 -3.305 1.00 0.00 N ATOM 503 CA GLU A 35 -10.160 -5.001 -3.363 1.00 0.00 C ATOM 504 C GLU A 35 -10.807 -5.339 -2.015 1.00 0.00 C ATOM 505 O GLU A 35 -10.568 -6.383 -1.444 1.00 0.00 O ATOM 506 CB GLU A 35 -10.768 -5.889 -4.453 1.00 0.00 C ATOM 507 CG GLU A 35 -10.252 -7.319 -4.292 1.00 0.00 C ATOM 508 CD GLU A 35 -9.638 -7.786 -5.612 1.00 0.00 C ATOM 509 OE1 GLU A 35 -8.476 -7.492 -5.838 1.00 0.00 O ATOM 510 OE2 GLU A 35 -10.341 -8.427 -6.377 1.00 0.00 O ATOM 0 H GLU A 35 -8.374 -5.855 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.344 -3.951 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.856 -5.874 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.505 -5.505 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.508 -7.362 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.067 -7.982 -4.002 1.00 0.00 H new ATOM 517 N PHE A 36 -11.644 -4.466 -1.512 1.00 0.00 N ATOM 518 CA PHE A 36 -12.328 -4.738 -0.214 1.00 0.00 C ATOM 519 C PHE A 36 -13.780 -4.264 -0.306 1.00 0.00 C ATOM 520 O PHE A 36 -14.073 -3.112 -0.074 1.00 0.00 O ATOM 521 CB PHE A 36 -11.645 -3.997 0.937 1.00 0.00 C ATOM 522 CG PHE A 36 -10.449 -3.199 0.464 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.640 -1.998 -0.219 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.150 -3.652 0.735 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.540 -1.241 -0.636 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.045 -2.898 0.316 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.236 -1.694 -0.368 1.00 0.00 C ATOM 0 H PHE A 36 -11.883 -3.575 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.280 -5.809 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.362 -3.329 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.326 -4.715 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.641 -1.651 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.001 -4.581 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.692 -0.310 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.044 -3.248 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.384 -1.113 -0.690 1.00 0.00 H new ATOM 537 N LYS A 37 -14.693 -5.131 -0.650 1.00 0.00 N ATOM 538 CA LYS A 37 -16.112 -4.691 -0.767 1.00 0.00 C ATOM 539 C LYS A 37 -16.757 -4.574 0.617 1.00 0.00 C ATOM 540 O LYS A 37 -16.139 -4.826 1.633 1.00 0.00 O ATOM 541 CB LYS A 37 -16.892 -5.686 -1.637 1.00 0.00 C ATOM 542 CG LYS A 37 -17.261 -6.937 -0.840 1.00 0.00 C ATOM 543 CD LYS A 37 -16.131 -7.964 -0.943 1.00 0.00 C ATOM 544 CE LYS A 37 -15.608 -8.292 0.455 1.00 0.00 C ATOM 545 NZ LYS A 37 -14.868 -9.584 0.416 1.00 0.00 N ATOM 0 H LYS A 37 -14.520 -6.116 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.138 -3.708 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.797 -5.212 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.292 -5.966 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.435 -6.677 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.189 -7.363 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.493 -8.870 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.324 -7.571 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.952 -7.495 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.437 -8.356 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.511 -9.809 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.507 -10.341 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.068 -9.506 -0.244 1.00 0.00 H new ATOM 559 N GLY A 38 -18.000 -4.177 0.652 1.00 0.00 N ATOM 560 CA GLY A 38 -18.712 -4.016 1.955 1.00 0.00 C ATOM 561 C GLY A 38 -19.491 -2.697 1.928 1.00 0.00 C ATOM 562 O GLY A 38 -20.399 -2.522 1.139 1.00 0.00 O ATOM 0 H GLY A 38 -18.558 -3.955 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.391 -4.853 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.998 -4.017 2.779 1.00 0.00 H new ATOM 566 N THR A 39 -19.135 -1.759 2.766 1.00 0.00 N ATOM 567 CA THR A 39 -19.851 -0.450 2.758 1.00 0.00 C ATOM 568 C THR A 39 -19.436 0.315 1.501 1.00 0.00 C ATOM 569 O THR A 39 -19.110 -0.279 0.493 1.00 0.00 O ATOM 570 CB THR A 39 -19.473 0.358 4.004 1.00 0.00 C ATOM 571 OG1 THR A 39 -19.022 -0.523 5.022 1.00 0.00 O ATOM 572 CG2 THR A 39 -20.698 1.130 4.499 1.00 0.00 C ATOM 0 H THR A 39 -18.384 -1.842 3.451 1.00 0.00 H new ATOM 0 HA THR A 39 -20.929 -0.612 2.762 1.00 0.00 H new ATOM 0 HB THR A 39 -18.677 1.060 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.049 -0.622 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 39 -20.432 1.706 5.385 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.042 1.807 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.494 0.428 4.748 1.00 0.00 H new ATOM 580 N PHE A 40 -19.429 1.621 1.538 1.00 0.00 N ATOM 581 CA PHE A 40 -19.016 2.370 0.321 1.00 0.00 C ATOM 582 C PHE A 40 -17.659 3.035 0.545 1.00 0.00 C ATOM 583 O PHE A 40 -16.628 2.396 0.467 1.00 0.00 O ATOM 584 CB PHE A 40 -20.053 3.425 -0.051 1.00 0.00 C ATOM 585 CG PHE A 40 -19.601 4.112 -1.322 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.590 3.393 -2.523 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.182 5.452 -1.304 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.163 4.007 -3.706 1.00 0.00 C ATOM 589 CE2 PHE A 40 -18.755 6.065 -2.489 1.00 0.00 C ATOM 590 CZ PHE A 40 -18.745 5.342 -3.689 1.00 0.00 C ATOM 0 H PHE A 40 -19.687 2.191 2.344 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.937 1.659 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -21.029 2.962 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.161 4.151 0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -19.912 2.362 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -19.189 6.009 -0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -19.156 3.450 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -18.433 7.096 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.414 5.816 -4.602 1.00 0.00 H new ATOM 600 N GLU A 41 -17.643 4.309 0.812 1.00 0.00 N ATOM 601 CA GLU A 41 -16.355 5.008 1.029 1.00 0.00 C ATOM 602 C GLU A 41 -15.693 4.466 2.296 1.00 0.00 C ATOM 603 O GLU A 41 -14.532 4.711 2.557 1.00 0.00 O ATOM 604 CB GLU A 41 -16.634 6.499 1.170 1.00 0.00 C ATOM 605 CG GLU A 41 -15.323 7.277 1.187 1.00 0.00 C ATOM 606 CD GLU A 41 -15.012 7.712 2.619 1.00 0.00 C ATOM 607 OE1 GLU A 41 -15.951 7.878 3.382 1.00 0.00 O ATOM 608 OE2 GLU A 41 -13.843 7.870 2.931 1.00 0.00 O ATOM 0 H GLU A 41 -18.473 4.897 0.889 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.682 4.843 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.258 6.840 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.190 6.688 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.514 6.658 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.396 8.149 0.538 1.00 0.00 H new ATOM 615 N LYS A 42 -16.421 3.721 3.082 1.00 0.00 N ATOM 616 CA LYS A 42 -15.831 3.154 4.315 1.00 0.00 C ATOM 617 C LYS A 42 -14.633 2.290 3.918 1.00 0.00 C ATOM 618 O LYS A 42 -13.722 2.066 4.691 1.00 0.00 O ATOM 619 CB LYS A 42 -16.877 2.305 5.041 1.00 0.00 C ATOM 620 CG LYS A 42 -16.445 2.101 6.491 1.00 0.00 C ATOM 621 CD LYS A 42 -15.620 0.819 6.598 1.00 0.00 C ATOM 622 CE LYS A 42 -14.614 0.955 7.740 1.00 0.00 C ATOM 623 NZ LYS A 42 -13.231 0.817 7.200 1.00 0.00 N ATOM 0 H LYS A 42 -17.399 3.483 2.919 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.507 3.951 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.849 2.796 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.988 1.341 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.858 2.954 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.320 2.039 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.275 -0.034 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.098 0.630 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.731 1.922 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.799 0.191 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.563 1.307 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.979 -0.190 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.186 1.238 6.250 1.00 0.00 H new ATOM 637 N ALA A 43 -14.629 1.824 2.697 1.00 0.00 N ATOM 638 CA ALA A 43 -13.502 0.995 2.199 1.00 0.00 C ATOM 639 C ALA A 43 -12.452 1.926 1.599 1.00 0.00 C ATOM 640 O ALA A 43 -11.283 1.614 1.561 1.00 0.00 O ATOM 641 CB ALA A 43 -14.018 0.034 1.130 1.00 0.00 C ATOM 0 H ALA A 43 -15.372 1.987 2.017 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.063 0.417 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.194 -0.577 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.784 -0.611 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.445 0.603 0.304 1.00 0.00 H new ATOM 647 N THR A 44 -12.866 3.078 1.140 1.00 0.00 N ATOM 648 CA THR A 44 -11.893 4.048 0.555 1.00 0.00 C ATOM 649 C THR A 44 -10.724 4.235 1.524 1.00 0.00 C ATOM 650 O THR A 44 -9.575 4.219 1.132 1.00 0.00 O ATOM 651 CB THR A 44 -12.585 5.391 0.330 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.686 5.215 -0.550 1.00 0.00 O ATOM 653 CG2 THR A 44 -11.593 6.384 -0.277 1.00 0.00 C ATOM 0 H THR A 44 -13.837 3.390 1.145 1.00 0.00 H new ATOM 0 HA THR A 44 -11.524 3.666 -0.397 1.00 0.00 H new ATOM 0 HB THR A 44 -12.943 5.779 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.732 5.971 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.089 7.342 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.752 6.520 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.231 5.999 -1.230 1.00 0.00 H new ATOM 661 N SER A 45 -11.009 4.403 2.788 1.00 0.00 N ATOM 662 CA SER A 45 -9.914 4.579 3.783 1.00 0.00 C ATOM 663 C SER A 45 -9.185 3.250 3.949 1.00 0.00 C ATOM 664 O SER A 45 -7.990 3.171 3.786 1.00 0.00 O ATOM 665 CB SER A 45 -10.508 5.008 5.126 1.00 0.00 C ATOM 666 OG SER A 45 -11.463 6.038 4.908 1.00 0.00 O ATOM 0 H SER A 45 -11.953 4.426 3.173 1.00 0.00 H new ATOM 0 HA SER A 45 -9.218 5.344 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.979 4.157 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.719 5.362 5.790 1.00 0.00 H new ATOM 0 HG SER A 45 -11.847 6.315 5.766 1.00 0.00 H new ATOM 672 N GLU A 46 -9.895 2.200 4.257 1.00 0.00 N ATOM 673 CA GLU A 46 -9.226 0.878 4.412 1.00 0.00 C ATOM 674 C GLU A 46 -8.274 0.664 3.236 1.00 0.00 C ATOM 675 O GLU A 46 -7.296 -0.052 3.331 1.00 0.00 O ATOM 676 CB GLU A 46 -10.275 -0.227 4.421 1.00 0.00 C ATOM 677 CG GLU A 46 -9.786 -1.391 5.285 1.00 0.00 C ATOM 678 CD GLU A 46 -10.326 -2.706 4.721 1.00 0.00 C ATOM 679 OE1 GLU A 46 -11.531 -2.810 4.562 1.00 0.00 O ATOM 680 OE2 GLU A 46 -9.525 -3.587 4.459 1.00 0.00 O ATOM 0 H GLU A 46 -10.904 2.200 4.407 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.670 0.854 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.218 0.156 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.465 -0.570 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.696 -1.411 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.120 -1.260 6.314 1.00 0.00 H new ATOM 687 N ALA A 47 -8.556 1.290 2.127 1.00 0.00 N ATOM 688 CA ALA A 47 -7.682 1.148 0.934 1.00 0.00 C ATOM 689 C ALA A 47 -6.483 2.082 1.086 1.00 0.00 C ATOM 690 O ALA A 47 -5.350 1.696 0.883 1.00 0.00 O ATOM 691 CB ALA A 47 -8.476 1.531 -0.319 1.00 0.00 C ATOM 0 H ALA A 47 -9.364 1.900 1.997 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.336 0.118 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.840 1.429 -1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.340 0.873 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.814 2.564 -0.234 1.00 0.00 H new ATOM 697 N TYR A 48 -6.732 3.310 1.445 1.00 0.00 N ATOM 698 CA TYR A 48 -5.623 4.280 1.614 1.00 0.00 C ATOM 699 C TYR A 48 -4.606 3.725 2.608 1.00 0.00 C ATOM 700 O TYR A 48 -3.417 3.944 2.488 1.00 0.00 O ATOM 701 CB TYR A 48 -6.192 5.608 2.104 1.00 0.00 C ATOM 702 CG TYR A 48 -5.460 6.736 1.419 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.236 7.191 1.924 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.004 7.321 0.269 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.555 8.230 1.280 1.00 0.00 C ATOM 706 CE2 TYR A 48 -5.323 8.360 -0.377 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.097 8.815 0.129 1.00 0.00 C ATOM 708 OH TYR A 48 -3.424 9.837 -0.509 1.00 0.00 O ATOM 0 H TYR A 48 -7.663 3.683 1.629 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.119 4.443 0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.259 5.664 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.082 5.689 3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.817 6.740 2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.949 6.971 -0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.611 8.581 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.742 8.811 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.937 10.129 -1.291 1.00 0.00 H new ATOM 718 N ALA A 49 -5.063 2.978 3.567 1.00 0.00 N ATOM 719 CA ALA A 49 -4.130 2.368 4.550 1.00 0.00 C ATOM 720 C ALA A 49 -3.530 1.127 3.898 1.00 0.00 C ATOM 721 O ALA A 49 -2.410 0.742 4.166 1.00 0.00 O ATOM 722 CB ALA A 49 -4.894 1.965 5.814 1.00 0.00 C ATOM 0 H ALA A 49 -6.049 2.761 3.714 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.351 3.077 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.204 1.519 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.356 2.847 6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.668 1.241 5.556 1.00 0.00 H new ATOM 728 N TYR A 50 -4.278 0.514 3.019 1.00 0.00 N ATOM 729 CA TYR A 50 -3.782 -0.690 2.310 1.00 0.00 C ATOM 730 C TYR A 50 -2.472 -0.333 1.607 1.00 0.00 C ATOM 731 O TYR A 50 -1.480 -1.025 1.722 1.00 0.00 O ATOM 732 CB TYR A 50 -4.836 -1.100 1.283 1.00 0.00 C ATOM 733 CG TYR A 50 -4.650 -2.541 0.884 1.00 0.00 C ATOM 734 CD1 TYR A 50 -5.087 -3.568 1.730 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.057 -2.849 -0.343 1.00 0.00 C ATOM 736 CE1 TYR A 50 -4.925 -4.904 1.347 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.897 -4.183 -0.726 1.00 0.00 C ATOM 738 CZ TYR A 50 -4.331 -5.211 0.117 1.00 0.00 C ATOM 739 OH TYR A 50 -4.173 -6.529 -0.265 1.00 0.00 O ATOM 0 H TYR A 50 -5.222 0.804 2.763 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.604 -1.513 3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.833 -0.957 1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.764 -0.460 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.548 -3.329 2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.722 -2.056 -0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.258 -5.698 2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.438 -4.421 -1.674 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.745 -6.565 -1.146 1.00 0.00 H new ATOM 749 N ALA A 51 -2.464 0.758 0.890 1.00 0.00 N ATOM 750 CA ALA A 51 -1.220 1.188 0.184 1.00 0.00 C ATOM 751 C ALA A 51 -0.277 1.861 1.183 1.00 0.00 C ATOM 752 O ALA A 51 0.911 1.966 0.956 1.00 0.00 O ATOM 753 CB ALA A 51 -1.579 2.177 -0.926 1.00 0.00 C ATOM 0 H ALA A 51 -3.268 1.373 0.762 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.729 0.318 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.671 2.491 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.252 1.698 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.070 3.048 -0.492 1.00 0.00 H new ATOM 759 N ASP A 52 -0.795 2.314 2.293 1.00 0.00 N ATOM 760 CA ASP A 52 0.078 2.972 3.304 1.00 0.00 C ATOM 761 C ASP A 52 1.069 1.941 3.850 1.00 0.00 C ATOM 762 O ASP A 52 2.243 2.214 4.006 1.00 0.00 O ATOM 763 CB ASP A 52 -0.780 3.519 4.450 1.00 0.00 C ATOM 764 CG ASP A 52 0.072 4.418 5.349 1.00 0.00 C ATOM 765 OD1 ASP A 52 0.232 5.579 5.014 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.551 3.928 6.360 1.00 0.00 O ATOM 0 H ASP A 52 -1.783 2.257 2.542 1.00 0.00 H new ATOM 0 HA ASP A 52 0.620 3.797 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.622 4.083 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.195 2.696 5.031 1.00 0.00 H new ATOM 771 N THR A 53 0.607 0.753 4.135 1.00 0.00 N ATOM 772 CA THR A 53 1.523 -0.298 4.664 1.00 0.00 C ATOM 773 C THR A 53 2.567 -0.642 3.598 1.00 0.00 C ATOM 774 O THR A 53 3.631 -1.143 3.898 1.00 0.00 O ATOM 775 CB THR A 53 0.719 -1.551 5.018 1.00 0.00 C ATOM 776 OG1 THR A 53 1.609 -2.633 5.248 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.224 -1.901 3.868 1.00 0.00 C ATOM 0 H THR A 53 -0.365 0.465 4.024 1.00 0.00 H new ATOM 0 HA THR A 53 2.023 0.072 5.559 1.00 0.00 H new ATOM 0 HB THR A 53 0.133 -1.362 5.918 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.096 -3.436 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.795 -2.794 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.908 -1.071 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.357 -2.089 2.965 1.00 0.00 H new ATOM 785 N LEU A 54 2.272 -0.369 2.355 1.00 0.00 N ATOM 786 CA LEU A 54 3.251 -0.670 1.271 1.00 0.00 C ATOM 787 C LEU A 54 4.186 0.527 1.090 1.00 0.00 C ATOM 788 O LEU A 54 4.830 0.675 0.071 1.00 0.00 O ATOM 789 CB LEU A 54 2.503 -0.945 -0.035 1.00 0.00 C ATOM 790 CG LEU A 54 2.864 -2.342 -0.547 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.914 -2.735 -1.679 1.00 0.00 C ATOM 792 CD2 LEU A 54 4.304 -2.340 -1.068 1.00 0.00 C ATOM 0 H LEU A 54 1.395 0.049 2.044 1.00 0.00 H new ATOM 0 HA LEU A 54 3.835 -1.550 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.428 -0.872 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.764 -0.194 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 54 2.773 -3.060 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.173 -3.730 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.889 -2.739 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.003 -2.017 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.560 -3.335 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.395 -1.621 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.982 -2.063 -0.261 1.00 0.00 H new ATOM 804 N LYS A 55 4.262 1.379 2.077 1.00 0.00 N ATOM 805 CA LYS A 55 5.143 2.561 1.984 1.00 0.00 C ATOM 806 C LYS A 55 6.577 2.158 2.330 1.00 0.00 C ATOM 807 O LYS A 55 7.096 2.495 3.377 1.00 0.00 O ATOM 808 CB LYS A 55 4.644 3.604 2.977 1.00 0.00 C ATOM 809 CG LYS A 55 5.411 4.898 2.773 1.00 0.00 C ATOM 810 CD LYS A 55 6.212 5.215 4.033 1.00 0.00 C ATOM 811 CE LYS A 55 7.093 6.419 3.749 1.00 0.00 C ATOM 812 NZ LYS A 55 8.252 6.437 4.687 1.00 0.00 N ATOM 0 H LYS A 55 3.742 1.299 2.951 1.00 0.00 H new ATOM 0 HA LYS A 55 5.128 2.969 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.577 3.775 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.778 3.245 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.079 4.807 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.721 5.712 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.541 5.424 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.821 4.358 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.449 6.385 2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.514 7.336 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.849 7.264 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.905 6.491 5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.811 5.569 4.565 1.00 0.00 H new ATOM 826 N LYS A 56 7.223 1.443 1.452 1.00 0.00 N ATOM 827 CA LYS A 56 8.628 1.010 1.704 1.00 0.00 C ATOM 828 C LYS A 56 9.599 2.148 1.363 1.00 0.00 C ATOM 829 O LYS A 56 10.704 1.914 0.913 1.00 0.00 O ATOM 830 CB LYS A 56 8.940 -0.204 0.826 1.00 0.00 C ATOM 831 CG LYS A 56 8.206 -1.431 1.368 1.00 0.00 C ATOM 832 CD LYS A 56 9.137 -2.212 2.297 1.00 0.00 C ATOM 833 CE LYS A 56 9.207 -3.671 1.843 1.00 0.00 C ATOM 834 NZ LYS A 56 9.716 -4.515 2.960 1.00 0.00 N ATOM 0 H LYS A 56 6.834 1.136 0.560 1.00 0.00 H new ATOM 0 HA LYS A 56 8.743 0.750 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.635 -0.010 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.014 -0.388 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.310 -1.123 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.880 -2.066 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.133 -1.769 2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.774 -2.157 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.220 -4.015 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.862 -3.762 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.764 -5.507 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.666 -4.192 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.075 -4.436 3.775 1.00 0.00 H new ATOM 848 N ASP A 57 9.201 3.373 1.569 1.00 0.00 N ATOM 849 CA ASP A 57 10.101 4.513 1.255 1.00 0.00 C ATOM 850 C ASP A 57 10.128 4.734 -0.257 1.00 0.00 C ATOM 851 O ASP A 57 11.093 5.233 -0.806 1.00 0.00 O ATOM 852 CB ASP A 57 11.510 4.200 1.753 1.00 0.00 C ATOM 853 CG ASP A 57 12.156 5.475 2.296 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.300 6.414 1.530 1.00 0.00 O ATOM 855 OD2 ASP A 57 12.493 5.494 3.469 1.00 0.00 O ATOM 0 H ASP A 57 8.288 3.632 1.943 1.00 0.00 H new ATOM 0 HA ASP A 57 9.736 5.415 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.471 3.439 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.112 3.793 0.941 1.00 0.00 H new ATOM 860 N ASN A 58 9.077 4.366 -0.940 1.00 0.00 N ATOM 861 CA ASN A 58 9.044 4.555 -2.412 1.00 0.00 C ATOM 862 C ASN A 58 8.713 6.011 -2.737 1.00 0.00 C ATOM 863 O ASN A 58 8.858 6.453 -3.860 1.00 0.00 O ATOM 864 CB ASN A 58 7.982 3.653 -3.022 1.00 0.00 C ATOM 865 CG ASN A 58 8.055 2.259 -2.398 1.00 0.00 C ATOM 866 OD1 ASN A 58 8.950 1.494 -2.699 1.00 0.00 O ATOM 867 ND2 ASN A 58 7.145 1.889 -1.538 1.00 0.00 N ATOM 0 H ASN A 58 8.241 3.942 -0.538 1.00 0.00 H new ATOM 0 HA ASN A 58 10.020 4.301 -2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.993 4.081 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.127 3.585 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.186 0.959 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.393 2.530 -1.284 1.00 0.00 H new ATOM 874 N GLY A 59 8.266 6.763 -1.770 1.00 0.00 N ATOM 875 CA GLY A 59 7.928 8.187 -2.039 1.00 0.00 C ATOM 876 C GLY A 59 6.415 8.371 -1.985 1.00 0.00 C ATOM 877 O GLY A 59 5.887 9.371 -2.424 1.00 0.00 O ATOM 0 H GLY A 59 8.121 6.454 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.410 8.831 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.306 8.483 -3.018 1.00 0.00 H new ATOM 881 N GLU A 60 5.719 7.411 -1.450 1.00 0.00 N ATOM 882 CA GLU A 60 4.246 7.514 -1.356 1.00 0.00 C ATOM 883 C GLU A 60 3.638 7.369 -2.741 1.00 0.00 C ATOM 884 O GLU A 60 4.301 7.001 -3.688 1.00 0.00 O ATOM 885 CB GLU A 60 3.872 8.861 -0.746 1.00 0.00 C ATOM 886 CG GLU A 60 4.677 9.044 0.540 1.00 0.00 C ATOM 887 CD GLU A 60 3.752 9.522 1.660 1.00 0.00 C ATOM 888 OE1 GLU A 60 2.774 10.183 1.352 1.00 0.00 O ATOM 889 OE2 GLU A 60 4.037 9.217 2.806 1.00 0.00 O ATOM 0 H GLU A 60 6.115 6.551 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 60 3.858 6.719 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.087 9.668 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.803 8.899 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.150 8.103 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.476 9.768 0.381 1.00 0.00 H new ATOM 896 N TYR A 61 2.375 7.627 -2.856 1.00 0.00 N ATOM 897 CA TYR A 61 1.702 7.473 -4.176 1.00 0.00 C ATOM 898 C TYR A 61 0.619 8.533 -4.365 1.00 0.00 C ATOM 899 O TYR A 61 0.349 9.335 -3.494 1.00 0.00 O ATOM 900 CB TYR A 61 1.043 6.102 -4.228 1.00 0.00 C ATOM 901 CG TYR A 61 0.431 5.788 -2.884 1.00 0.00 C ATOM 902 CD1 TYR A 61 -0.836 6.287 -2.545 1.00 0.00 C ATOM 903 CD2 TYR A 61 1.126 4.986 -1.979 1.00 0.00 C ATOM 904 CE1 TYR A 61 -1.397 5.979 -1.301 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.570 4.679 -0.738 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.693 5.174 -0.396 1.00 0.00 C ATOM 907 OH TYR A 61 -1.242 4.869 0.832 1.00 0.00 O ATOM 0 H TYR A 61 1.772 7.939 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 61 2.448 7.585 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.276 6.084 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.779 5.342 -4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.377 6.908 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.100 4.601 -2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.372 6.362 -1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.114 4.059 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.217 4.819 0.751 1.00 0.00 H new ATOM 917 N THR A 62 -0.023 8.511 -5.500 1.00 0.00 N ATOM 918 CA THR A 62 -1.120 9.477 -5.772 1.00 0.00 C ATOM 919 C THR A 62 -2.419 8.678 -5.887 1.00 0.00 C ATOM 920 O THR A 62 -2.488 7.695 -6.596 1.00 0.00 O ATOM 921 CB THR A 62 -0.848 10.220 -7.082 1.00 0.00 C ATOM 922 OG1 THR A 62 -1.974 11.022 -7.411 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.593 9.208 -8.202 1.00 0.00 C ATOM 0 H THR A 62 0.169 7.857 -6.258 1.00 0.00 H new ATOM 0 HA THR A 62 -1.191 10.212 -4.971 1.00 0.00 H new ATOM 0 HB THR A 62 0.030 10.856 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.801 11.500 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.399 9.738 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.271 8.594 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.469 8.570 -8.322 1.00 0.00 H new ATOM 931 N VAL A 63 -3.442 9.065 -5.179 1.00 0.00 N ATOM 932 CA VAL A 63 -4.711 8.290 -5.242 1.00 0.00 C ATOM 933 C VAL A 63 -5.487 8.638 -6.515 1.00 0.00 C ATOM 934 O VAL A 63 -5.876 9.769 -6.730 1.00 0.00 O ATOM 935 CB VAL A 63 -5.562 8.598 -4.000 1.00 0.00 C ATOM 936 CG1 VAL A 63 -6.376 9.879 -4.216 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.512 7.429 -3.737 1.00 0.00 C ATOM 0 H VAL A 63 -3.455 9.878 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.478 7.225 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.903 8.740 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.974 10.084 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.699 10.714 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.035 9.751 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.118 7.643 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.163 7.288 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.933 6.521 -3.567 1.00 0.00 H new ATOM 947 N ASP A 64 -5.727 7.666 -7.351 1.00 0.00 N ATOM 948 CA ASP A 64 -6.490 7.925 -8.593 1.00 0.00 C ATOM 949 C ASP A 64 -7.970 7.960 -8.244 1.00 0.00 C ATOM 950 O ASP A 64 -8.362 7.707 -7.123 1.00 0.00 O ATOM 951 CB ASP A 64 -6.226 6.807 -9.607 1.00 0.00 C ATOM 952 CG ASP A 64 -5.669 7.405 -10.900 1.00 0.00 C ATOM 953 OD1 ASP A 64 -4.847 8.302 -10.809 1.00 0.00 O ATOM 954 OD2 ASP A 64 -6.073 6.956 -11.961 1.00 0.00 O ATOM 0 H ASP A 64 -5.424 6.701 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.183 8.875 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.519 6.087 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.149 6.265 -9.814 1.00 0.00 H new ATOM 959 N VAL A 65 -8.791 8.281 -9.187 1.00 0.00 N ATOM 960 CA VAL A 65 -10.249 8.345 -8.901 1.00 0.00 C ATOM 961 C VAL A 65 -11.057 8.015 -10.159 1.00 0.00 C ATOM 962 O VAL A 65 -11.244 8.847 -11.025 1.00 0.00 O ATOM 963 CB VAL A 65 -10.595 9.754 -8.428 1.00 0.00 C ATOM 964 CG1 VAL A 65 -12.106 9.865 -8.219 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.872 10.040 -7.109 1.00 0.00 C ATOM 0 H VAL A 65 -8.523 8.503 -10.146 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.497 7.616 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.280 10.478 -9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.354 10.871 -7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.619 9.661 -9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.424 9.142 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.118 11.046 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.187 9.316 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.795 9.961 -7.260 1.00 0.00 H new ATOM 975 N ALA A 66 -11.545 6.810 -10.257 1.00 0.00 N ATOM 976 CA ALA A 66 -12.355 6.420 -11.447 1.00 0.00 C ATOM 977 C ALA A 66 -13.524 5.540 -10.993 1.00 0.00 C ATOM 978 O ALA A 66 -13.547 5.049 -9.883 1.00 0.00 O ATOM 979 CB ALA A 66 -11.480 5.641 -12.427 1.00 0.00 C ATOM 0 H ALA A 66 -11.418 6.075 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.738 7.314 -11.939 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.072 5.356 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.645 6.266 -12.745 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.097 4.745 -11.939 1.00 0.00 H new ATOM 985 N ASP A 67 -14.498 5.340 -11.840 1.00 0.00 N ATOM 986 CA ASP A 67 -15.662 4.495 -11.450 1.00 0.00 C ATOM 987 C ASP A 67 -16.578 5.276 -10.507 1.00 0.00 C ATOM 988 O ASP A 67 -17.138 4.724 -9.584 1.00 0.00 O ATOM 989 CB ASP A 67 -15.174 3.241 -10.744 1.00 0.00 C ATOM 990 CG ASP A 67 -16.183 2.109 -10.955 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.193 1.542 -12.037 1.00 0.00 O ATOM 992 OD2 ASP A 67 -16.929 1.827 -10.031 1.00 0.00 O ATOM 0 H ASP A 67 -14.537 5.725 -12.784 1.00 0.00 H new ATOM 0 HA ASP A 67 -16.214 4.218 -12.348 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.198 2.949 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -15.048 3.436 -9.679 1.00 0.00 H new ATOM 997 N LYS A 68 -16.727 6.555 -10.734 1.00 0.00 N ATOM 998 CA LYS A 68 -17.602 7.389 -9.853 1.00 0.00 C ATOM 999 C LYS A 68 -16.798 7.855 -8.633 1.00 0.00 C ATOM 1000 O LYS A 68 -17.290 8.577 -7.789 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.860 6.580 -9.439 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.810 6.128 -7.965 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.216 5.714 -7.519 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.689 4.519 -8.347 1.00 0.00 C ATOM 1005 NZ LYS A 68 -21.985 4.026 -7.805 1.00 0.00 N ATOM 0 H LYS A 68 -16.278 7.062 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.943 8.273 -10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.749 7.189 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.953 5.705 -10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.118 5.293 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.439 6.937 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.211 5.456 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.907 6.549 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.805 4.809 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.944 3.724 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.309 3.213 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.859 3.735 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.694 4.786 -7.855 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.560 7.454 -8.541 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.725 7.878 -7.383 1.00 0.00 C ATOM 1021 C GLY A 69 -14.559 6.702 -6.421 1.00 0.00 C ATOM 1022 O GLY A 69 -14.081 6.853 -5.315 1.00 0.00 O ATOM 0 H GLY A 69 -15.091 6.851 -9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.750 8.220 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.194 8.718 -6.871 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.954 5.528 -6.832 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.825 4.345 -5.948 1.00 0.00 C ATOM 1028 C TYR A 70 -13.499 3.637 -6.229 1.00 0.00 C ATOM 1029 O TYR A 70 -12.801 3.228 -5.323 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.987 3.397 -6.201 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.383 2.718 -4.912 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.424 3.443 -3.712 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -16.709 1.356 -4.917 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -16.784 2.804 -2.523 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.064 0.721 -3.726 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.104 1.441 -2.533 1.00 0.00 C ATOM 1037 OH TYR A 70 -17.434 0.795 -1.361 1.00 0.00 O ATOM 0 H TYR A 70 -15.362 5.341 -7.748 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.843 4.663 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.835 3.947 -6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.705 2.651 -6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.177 4.494 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.686 0.798 -5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -16.815 3.360 -1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.308 -0.331 -3.729 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.896 1.156 -0.626 1.00 0.00 H new ATOM 1047 N THR A 71 -13.139 3.499 -7.474 1.00 0.00 N ATOM 1048 CA THR A 71 -11.849 2.831 -7.802 1.00 0.00 C ATOM 1049 C THR A 71 -10.717 3.839 -7.582 1.00 0.00 C ATOM 1050 O THR A 71 -10.821 4.990 -7.952 1.00 0.00 O ATOM 1051 CB THR A 71 -11.887 2.347 -9.269 1.00 0.00 C ATOM 1052 OG1 THR A 71 -12.103 0.944 -9.290 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.571 2.659 -9.998 1.00 0.00 C ATOM 0 H THR A 71 -13.681 3.819 -8.277 1.00 0.00 H new ATOM 0 HA THR A 71 -11.683 1.964 -7.162 1.00 0.00 H new ATOM 0 HB THR A 71 -12.696 2.870 -9.779 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.130 0.631 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.632 2.305 -11.027 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.399 3.735 -9.994 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.746 2.158 -9.491 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.642 3.424 -6.983 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.519 4.374 -6.752 1.00 0.00 C ATOM 1063 C LEU A 72 -7.194 3.689 -7.076 1.00 0.00 C ATOM 1064 O LEU A 72 -6.730 2.832 -6.351 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.507 4.861 -5.295 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.067 3.793 -4.348 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.956 3.309 -3.416 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.198 4.401 -3.513 1.00 0.00 C ATOM 0 H LEU A 72 -9.489 2.474 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.655 5.237 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.488 5.113 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.098 5.773 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.449 2.953 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.352 2.550 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.145 2.883 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.578 4.149 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.599 3.645 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.811 5.238 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.989 4.754 -4.174 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.583 4.069 -8.161 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.281 3.450 -8.539 1.00 0.00 C ATOM 1082 C ASN A 73 -4.168 4.078 -7.702 1.00 0.00 C ATOM 1083 O ASN A 73 -3.678 5.147 -8.003 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.008 3.706 -10.019 1.00 0.00 C ATOM 1085 CG ASN A 73 -4.878 2.375 -10.760 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -3.925 2.158 -11.481 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -5.804 1.468 -10.614 1.00 0.00 N ATOM 0 H ASN A 73 -6.928 4.782 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.318 2.376 -8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.817 4.295 -10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.093 4.288 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.727 0.577 -11.105 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.605 1.649 -10.009 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.763 3.418 -6.653 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.683 3.978 -5.800 1.00 0.00 C ATOM 1096 C ILE A 74 -1.339 3.724 -6.485 1.00 0.00 C ATOM 1097 O ILE A 74 -0.839 2.616 -6.499 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.707 3.288 -4.437 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -4.021 3.618 -3.727 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.535 3.779 -3.601 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.574 2.353 -3.071 1.00 0.00 C ATOM 0 H ILE A 74 -4.134 2.517 -6.351 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.829 5.049 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.628 2.209 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.857 4.389 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.743 4.017 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.551 3.288 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.601 3.544 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.612 4.858 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.511 2.586 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.753 1.596 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.854 1.974 -2.346 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.765 4.733 -7.078 1.00 0.00 N ATOM 1114 CA LYS A 75 0.526 4.537 -7.789 1.00 0.00 C ATOM 1115 C LYS A 75 1.698 5.057 -6.956 1.00 0.00 C ATOM 1116 O LYS A 75 1.799 6.234 -6.669 1.00 0.00 O ATOM 1117 CB LYS A 75 0.483 5.281 -9.118 1.00 0.00 C ATOM 1118 CG LYS A 75 0.377 4.273 -10.261 1.00 0.00 C ATOM 1119 CD LYS A 75 1.768 4.013 -10.838 1.00 0.00 C ATOM 1120 CE LYS A 75 2.046 5.009 -11.962 1.00 0.00 C ATOM 1121 NZ LYS A 75 3.502 5.005 -12.279 1.00 0.00 N ATOM 0 H LYS A 75 -1.134 5.683 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 75 0.671 3.470 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.368 5.962 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.380 5.889 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.059 3.342 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.285 4.655 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.522 4.110 -10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.832 2.993 -11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.469 4.744 -12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.731 6.009 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.693 5.683 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.042 5.277 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.789 4.052 -12.581 1.00 0.00 H new ATOM 1135 N PHE A 76 2.598 4.185 -6.593 1.00 0.00 N ATOM 1136 CA PHE A 76 3.789 4.612 -5.804 1.00 0.00 C ATOM 1137 C PHE A 76 4.823 5.218 -6.759 1.00 0.00 C ATOM 1138 O PHE A 76 5.057 4.705 -7.836 1.00 0.00 O ATOM 1139 CB PHE A 76 4.412 3.399 -5.098 1.00 0.00 C ATOM 1140 CG PHE A 76 3.423 2.772 -4.146 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.355 2.012 -4.637 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.582 2.946 -2.768 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.445 1.427 -3.748 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.672 2.363 -1.879 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.603 1.603 -2.369 1.00 0.00 C ATOM 0 H PHE A 76 2.560 3.189 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 76 3.485 5.346 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.729 2.664 -5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.304 3.707 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.233 1.877 -5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.407 3.531 -2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.621 0.840 -4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.794 2.499 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.901 1.153 -1.683 1.00 0.00 H new ATOM 1155 N ALA A 77 5.442 6.302 -6.378 1.00 0.00 N ATOM 1156 CA ALA A 77 6.457 6.930 -7.270 1.00 0.00 C ATOM 1157 C ALA A 77 7.786 6.174 -7.143 1.00 0.00 C ATOM 1158 O ALA A 77 7.976 5.137 -7.745 1.00 0.00 O ATOM 1159 CB ALA A 77 6.650 8.396 -6.872 1.00 0.00 C ATOM 0 H ALA A 77 5.289 6.779 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 77 6.115 6.883 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.393 8.855 -7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.703 8.927 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.992 8.450 -5.838 1.00 0.00 H new ATOM 1165 N GLY A 78 8.708 6.681 -6.364 1.00 0.00 N ATOM 1166 CA GLY A 78 10.016 5.981 -6.209 1.00 0.00 C ATOM 1167 C GLY A 78 10.890 6.251 -7.436 1.00 0.00 C ATOM 1168 O GLY A 78 11.812 7.042 -7.320 1.00 0.00 O ATOM 1169 OXT GLY A 78 10.623 5.664 -8.471 1.00 0.00 O ATOM 0 H GLY A 78 8.611 7.546 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.521 6.327 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.855 4.909 -6.093 1.00 0.00 H new TER 1173 GLY A 78