USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 797 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 43 HIS : no HD1:sc= -1.02 K(o=-1.1,f=0.11) USER MOD Set 1.2: A 88 TYR OH : rot 30:sc= -0.0624 USER MOD Set 2.1: A 52 GLN : amide:sc= 1.1 K(o=2.3,f=-12!) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -171:sc= 1.23 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.0659 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -116:sc= -0.0103 (180deg=-0.0275) USER MOD Single : A 5 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.0048) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00555 K(o=-0.0055,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.15) USER MOD Single : A 35 MET CE :methyl 165:sc= -1.12 (180deg=-1.49) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -109:sc=-0.00986 (180deg=-0.125) USER MOD Single : A 41 MET CE :methyl -132:sc= -4.55! (180deg=-5.6!) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 67:sc= 1.17 USER MOD Single : A 53 GLN : amide:sc= -2.09 K(o=-2.1,f=-0.34) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0565) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 20:sc= 0.19 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -57:sc= -1.03 USER MOD Single : A 90 TYR OH : rot -15:sc= -0.34 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -39.841 -62.845 -12.365 1.00 0.00 N ATOM 2 CA MET A 1 -38.415 -62.593 -12.537 1.00 0.00 C ATOM 3 C MET A 1 -37.903 -61.619 -11.482 1.00 0.00 C ATOM 4 O MET A 1 -38.684 -60.910 -10.845 1.00 0.00 O ATOM 5 CB MET A 1 -38.139 -62.040 -13.936 1.00 0.00 C ATOM 6 CG MET A 1 -36.666 -62.051 -14.315 1.00 0.00 C ATOM 7 SD MET A 1 -36.393 -61.632 -16.047 1.00 0.00 S ATOM 8 CE MET A 1 -34.607 -61.508 -16.088 1.00 0.00 C ATOM 0 H1 MET A 1 -39.976 -63.734 -11.842 1.00 0.00 H new ATOM 0 H2 MET A 1 -40.270 -62.062 -11.833 1.00 0.00 H new ATOM 0 H3 MET A 1 -40.295 -62.920 -13.298 1.00 0.00 H new ATOM 0 HA MET A 1 -37.887 -63.539 -12.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 -38.698 -62.626 -14.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 -38.513 -61.018 -13.994 1.00 0.00 H new ATOM 0 HG2 MET A 1 -36.127 -61.344 -13.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 -36.250 -63.038 -14.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.283 -61.253 -17.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 -34.280 -60.732 -15.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.169 -62.463 -15.797 1.00 0.00 H new ATOM 18 N ALA A 2 -36.587 -61.587 -11.301 1.00 0.00 N ATOM 19 CA ALA A 2 -35.971 -60.698 -10.323 1.00 0.00 C ATOM 20 C ALA A 2 -35.943 -59.260 -10.829 1.00 0.00 C ATOM 21 O ALA A 2 -36.383 -58.975 -11.943 1.00 0.00 O ATOM 22 CB ALA A 2 -34.563 -61.172 -9.994 1.00 0.00 C ATOM 0 H ALA A 2 -35.926 -62.167 -11.819 1.00 0.00 H new ATOM 0 HA ALA A 2 -36.573 -60.723 -9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -34.114 -60.500 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -34.605 -62.180 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -33.959 -61.176 -10.901 1.00 0.00 H new ATOM 28 N ALA A 3 -35.423 -58.358 -10.003 1.00 0.00 N ATOM 29 CA ALA A 3 -35.338 -56.948 -10.368 1.00 0.00 C ATOM 30 C ALA A 3 -34.383 -56.200 -9.445 1.00 0.00 C ATOM 31 O ALA A 3 -34.577 -55.018 -9.162 1.00 0.00 O ATOM 32 CB ALA A 3 -36.719 -56.311 -10.333 1.00 0.00 C ATOM 0 H ALA A 3 -35.055 -58.578 -9.078 1.00 0.00 H new ATOM 0 HA ALA A 3 -34.946 -56.882 -11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -36.641 -55.259 -10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -37.374 -56.823 -11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -37.133 -56.394 -9.328 1.00 0.00 H new ATOM 38 N LYS A 4 -33.351 -56.896 -8.977 1.00 0.00 N ATOM 39 CA LYS A 4 -32.366 -56.296 -8.086 1.00 0.00 C ATOM 40 C LYS A 4 -31.172 -55.765 -8.873 1.00 0.00 C ATOM 41 O LYS A 4 -30.671 -56.426 -9.783 1.00 0.00 O ATOM 42 CB LYS A 4 -31.896 -57.320 -7.050 1.00 0.00 C ATOM 43 CG LYS A 4 -31.861 -56.777 -5.631 1.00 0.00 C ATOM 44 CD LYS A 4 -32.253 -57.839 -4.617 1.00 0.00 C ATOM 45 CE LYS A 4 -31.143 -58.859 -4.422 1.00 0.00 C ATOM 46 NZ LYS A 4 -31.344 -60.068 -5.268 1.00 0.00 N ATOM 0 H LYS A 4 -33.176 -57.876 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 4 -32.839 -55.459 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -32.556 -58.187 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -30.899 -57.668 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -30.860 -56.410 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -32.538 -55.927 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -32.485 -57.365 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -33.159 -58.345 -4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -30.184 -58.402 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -31.100 -59.153 -3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -31.490 -60.898 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -32.178 -59.933 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -30.504 -60.219 -5.863 1.00 0.00 H new ATOM 60 N GLN A 5 -30.721 -54.567 -8.517 1.00 0.00 N ATOM 61 CA GLN A 5 -29.586 -53.945 -9.190 1.00 0.00 C ATOM 62 C GLN A 5 -29.880 -53.737 -10.672 1.00 0.00 C ATOM 63 O GLN A 5 -30.881 -54.229 -11.193 1.00 0.00 O ATOM 64 CB GLN A 5 -28.332 -54.807 -9.023 1.00 0.00 C ATOM 65 CG GLN A 5 -27.511 -54.452 -7.794 1.00 0.00 C ATOM 66 CD GLN A 5 -26.022 -54.626 -8.018 1.00 0.00 C ATOM 67 OE1 GLN A 5 -25.363 -55.396 -7.320 1.00 0.00 O ATOM 68 NE2 GLN A 5 -25.483 -53.907 -8.997 1.00 0.00 N ATOM 0 H GLN A 5 -31.124 -54.007 -7.766 1.00 0.00 H new ATOM 0 HA GLN A 5 -29.413 -52.971 -8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -28.626 -55.855 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -27.708 -54.702 -9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -27.714 -53.419 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -27.825 -55.078 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -26.067 -53.281 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -24.485 -53.981 -9.194 1.00 0.00 H new ATOM 77 N GLY A 6 -29.000 -53.005 -11.348 1.00 0.00 N ATOM 78 CA GLY A 6 -29.181 -52.744 -12.763 1.00 0.00 C ATOM 79 C GLY A 6 -29.458 -51.281 -13.052 1.00 0.00 C ATOM 80 O GLY A 6 -30.155 -50.953 -14.012 1.00 0.00 O ATOM 0 H GLY A 6 -28.164 -52.588 -10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -28.287 -53.055 -13.304 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -30.007 -53.348 -13.138 1.00 0.00 H new ATOM 84 N GLU A 7 -28.912 -50.401 -12.219 1.00 0.00 N ATOM 85 CA GLU A 7 -29.104 -48.966 -12.389 1.00 0.00 C ATOM 86 C GLU A 7 -27.967 -48.358 -13.203 1.00 0.00 C ATOM 87 O GLU A 7 -26.937 -48.996 -13.425 1.00 0.00 O ATOM 88 CB GLU A 7 -29.196 -48.278 -11.025 1.00 0.00 C ATOM 89 CG GLU A 7 -30.450 -48.640 -10.245 1.00 0.00 C ATOM 90 CD GLU A 7 -30.847 -47.567 -9.250 1.00 0.00 C ATOM 91 OE1 GLU A 7 -29.945 -46.999 -8.599 1.00 0.00 O ATOM 92 OE2 GLU A 7 -32.059 -47.296 -9.122 1.00 0.00 O ATOM 0 H GLU A 7 -28.333 -50.657 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 7 -30.037 -48.811 -12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -28.320 -48.544 -10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -29.167 -47.198 -11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -31.272 -48.806 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -30.286 -49.579 -9.716 1.00 0.00 H new ATOM 99 N SER A 8 -28.158 -47.118 -13.644 1.00 0.00 N ATOM 100 CA SER A 8 -27.149 -46.423 -14.434 1.00 0.00 C ATOM 101 C SER A 8 -26.953 -44.996 -13.930 1.00 0.00 C ATOM 102 O SER A 8 -27.903 -44.344 -13.497 1.00 0.00 O ATOM 103 CB SER A 8 -27.549 -46.404 -15.910 1.00 0.00 C ATOM 104 OG SER A 8 -28.958 -46.424 -16.058 1.00 0.00 O ATOM 0 H SER A 8 -29.003 -46.574 -13.467 1.00 0.00 H new ATOM 0 HA SER A 8 -26.207 -46.961 -14.328 1.00 0.00 H new ATOM 0 HB2 SER A 8 -27.143 -45.513 -16.388 1.00 0.00 H new ATOM 0 HB3 SER A 8 -27.115 -47.265 -16.419 1.00 0.00 H new ATOM 0 HG SER A 8 -29.187 -46.410 -17.011 1.00 0.00 H new ATOM 110 N ASP A 9 -25.714 -44.518 -13.990 1.00 0.00 N ATOM 111 CA ASP A 9 -25.394 -43.168 -13.540 1.00 0.00 C ATOM 112 C ASP A 9 -24.010 -42.745 -14.030 1.00 0.00 C ATOM 113 O ASP A 9 -23.090 -42.556 -13.234 1.00 0.00 O ATOM 114 CB ASP A 9 -25.457 -43.089 -12.014 1.00 0.00 C ATOM 115 CG ASP A 9 -26.811 -42.623 -11.514 1.00 0.00 C ATOM 116 OD1 ASP A 9 -27.364 -41.669 -12.101 1.00 0.00 O ATOM 117 OD2 ASP A 9 -27.320 -43.213 -10.538 1.00 0.00 O ATOM 0 H ASP A 9 -24.916 -45.045 -14.345 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.132 -42.485 -13.961 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.235 -44.070 -11.593 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.686 -42.406 -11.656 1.00 0.00 H new ATOM 122 N PRO A 10 -23.844 -42.593 -15.356 1.00 0.00 N ATOM 123 CA PRO A 10 -22.565 -42.192 -15.951 1.00 0.00 C ATOM 124 C PRO A 10 -22.035 -40.890 -15.359 1.00 0.00 C ATOM 125 O PRO A 10 -22.540 -40.404 -14.348 1.00 0.00 O ATOM 126 CB PRO A 10 -22.899 -42.006 -17.434 1.00 0.00 C ATOM 127 CG PRO A 10 -24.109 -42.845 -17.660 1.00 0.00 C ATOM 128 CD PRO A 10 -24.888 -42.801 -16.376 1.00 0.00 C ATOM 0 HA PRO A 10 -21.784 -42.930 -15.767 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -23.094 -40.959 -17.667 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.072 -42.325 -18.069 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.702 -42.460 -18.490 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.833 -43.868 -17.914 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -25.618 -41.992 -16.376 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -25.438 -43.727 -16.207 1.00 0.00 H new ATOM 136 N GLU A 11 -21.012 -40.331 -15.998 1.00 0.00 N ATOM 137 CA GLU A 11 -20.411 -39.085 -15.535 1.00 0.00 C ATOM 138 C GLU A 11 -20.977 -37.891 -16.301 1.00 0.00 C ATOM 139 O GLU A 11 -20.249 -36.963 -16.651 1.00 0.00 O ATOM 140 CB GLU A 11 -18.890 -39.136 -15.697 1.00 0.00 C ATOM 141 CG GLU A 11 -18.150 -38.160 -14.797 1.00 0.00 C ATOM 142 CD GLU A 11 -18.380 -38.435 -13.325 1.00 0.00 C ATOM 143 OE1 GLU A 11 -19.440 -38.028 -12.803 1.00 0.00 O ATOM 144 OE2 GLU A 11 -17.501 -39.057 -12.691 1.00 0.00 O ATOM 0 H GLU A 11 -20.582 -40.721 -16.837 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.652 -38.964 -14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.544 -40.148 -15.484 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.636 -38.924 -16.736 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.082 -38.213 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.471 -37.144 -15.027 1.00 0.00 H new ATOM 151 N ARG A 12 -22.280 -37.925 -16.558 1.00 0.00 N ATOM 152 CA ARG A 12 -22.944 -36.848 -17.283 1.00 0.00 C ATOM 153 C ARG A 12 -22.801 -35.523 -16.540 1.00 0.00 C ATOM 154 O ARG A 12 -22.529 -35.498 -15.339 1.00 0.00 O ATOM 155 CB ARG A 12 -24.426 -37.177 -17.482 1.00 0.00 C ATOM 156 CG ARG A 12 -24.942 -36.838 -18.872 1.00 0.00 C ATOM 157 CD ARG A 12 -24.457 -37.842 -19.905 1.00 0.00 C ATOM 158 NE ARG A 12 -25.191 -39.103 -19.830 1.00 0.00 N ATOM 159 CZ ARG A 12 -26.405 -39.286 -20.345 1.00 0.00 C ATOM 160 NH1 ARG A 12 -27.024 -38.295 -20.973 1.00 0.00 N ATOM 161 NH2 ARG A 12 -27.001 -40.466 -20.232 1.00 0.00 N ATOM 0 H ARG A 12 -22.897 -38.686 -16.275 1.00 0.00 H new ATOM 0 HA ARG A 12 -22.466 -36.751 -18.258 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -24.582 -38.239 -17.294 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -25.013 -36.633 -16.742 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -26.032 -36.821 -18.863 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -24.610 -35.838 -19.151 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -24.567 -37.417 -20.903 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -23.394 -38.032 -19.755 1.00 0.00 H new ATOM 0 HE ARG A 12 -24.747 -39.889 -19.355 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -26.570 -37.386 -21.064 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -27.954 -38.442 -21.365 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -26.529 -41.232 -19.751 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -27.931 -40.607 -20.626 1.00 0.00 H new ATOM 175 N LYS A 13 -22.986 -34.423 -17.263 1.00 0.00 N ATOM 176 CA LYS A 13 -22.877 -33.094 -16.674 1.00 0.00 C ATOM 177 C LYS A 13 -21.483 -32.864 -16.099 1.00 0.00 C ATOM 178 O LYS A 13 -21.148 -33.379 -15.032 1.00 0.00 O ATOM 179 CB LYS A 13 -23.932 -32.911 -15.579 1.00 0.00 C ATOM 180 CG LYS A 13 -24.665 -31.582 -15.656 1.00 0.00 C ATOM 181 CD LYS A 13 -25.506 -31.337 -14.414 1.00 0.00 C ATOM 182 CE LYS A 13 -25.714 -29.851 -14.166 1.00 0.00 C ATOM 183 NZ LYS A 13 -27.082 -29.559 -13.655 1.00 0.00 N ATOM 0 H LYS A 13 -23.212 -34.426 -18.258 1.00 0.00 H new ATOM 0 HA LYS A 13 -23.049 -32.360 -17.461 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -24.658 -33.721 -15.647 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -23.451 -32.995 -14.605 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.943 -30.774 -15.773 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -25.305 -31.569 -16.538 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -26.473 -31.827 -14.526 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -25.019 -31.787 -13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.975 -29.496 -13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.548 -29.302 -15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -27.183 -28.536 -13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -27.787 -29.874 -14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -27.232 -30.063 -12.758 1.00 0.00 H new ATOM 197 N GLU A 14 -20.675 -32.090 -16.814 1.00 0.00 N ATOM 198 CA GLU A 14 -19.316 -31.793 -16.376 1.00 0.00 C ATOM 199 C GLU A 14 -18.698 -30.687 -17.228 1.00 0.00 C ATOM 200 O GLU A 14 -17.608 -30.848 -17.778 1.00 0.00 O ATOM 201 CB GLU A 14 -18.451 -33.053 -16.441 1.00 0.00 C ATOM 202 CG GLU A 14 -17.102 -32.902 -15.755 1.00 0.00 C ATOM 203 CD GLU A 14 -16.257 -34.157 -15.846 1.00 0.00 C ATOM 204 OE1 GLU A 14 -15.837 -34.508 -16.969 1.00 0.00 O ATOM 205 OE2 GLU A 14 -16.015 -34.788 -14.796 1.00 0.00 O ATOM 0 H GLU A 14 -20.937 -31.657 -17.699 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.360 -31.446 -15.344 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.993 -33.879 -15.981 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.290 -33.320 -17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.560 -32.071 -16.206 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.258 -32.649 -14.706 1.00 0.00 H new ATOM 212 N THR A 15 -19.403 -29.565 -17.334 1.00 0.00 N ATOM 213 CA THR A 15 -18.923 -28.434 -18.118 1.00 0.00 C ATOM 214 C THR A 15 -19.078 -27.130 -17.343 1.00 0.00 C ATOM 215 O THR A 15 -19.390 -26.086 -17.919 1.00 0.00 O ATOM 216 CB THR A 15 -19.684 -28.347 -19.443 1.00 0.00 C ATOM 217 OG1 THR A 15 -20.035 -29.639 -19.905 1.00 0.00 O ATOM 218 CG2 THR A 15 -18.898 -27.665 -20.541 1.00 0.00 C ATOM 0 H THR A 15 -20.308 -29.415 -16.887 1.00 0.00 H new ATOM 0 HA THR A 15 -17.864 -28.589 -18.324 1.00 0.00 H new ATOM 0 HB THR A 15 -20.570 -27.750 -19.228 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.522 -29.562 -20.752 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.495 -27.637 -21.452 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.654 -26.648 -20.236 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.978 -28.218 -20.727 1.00 0.00 H new ATOM 226 N ARG A 16 -18.857 -27.195 -16.034 1.00 0.00 N ATOM 227 CA ARG A 16 -18.973 -26.019 -15.180 1.00 0.00 C ATOM 228 C ARG A 16 -18.246 -26.236 -13.856 1.00 0.00 C ATOM 229 O ARG A 16 -18.850 -26.644 -12.864 1.00 0.00 O ATOM 230 CB ARG A 16 -20.445 -25.695 -14.920 1.00 0.00 C ATOM 231 CG ARG A 16 -20.686 -24.250 -14.514 1.00 0.00 C ATOM 232 CD ARG A 16 -22.084 -23.791 -14.892 1.00 0.00 C ATOM 233 NE ARG A 16 -22.224 -22.339 -14.814 1.00 0.00 N ATOM 234 CZ ARG A 16 -23.392 -21.702 -14.878 1.00 0.00 C ATOM 235 NH1 ARG A 16 -24.521 -22.384 -15.022 1.00 0.00 N ATOM 236 NH2 ARG A 16 -23.429 -20.379 -14.799 1.00 0.00 N ATOM 0 H ARG A 16 -18.597 -28.050 -15.542 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.509 -25.178 -15.696 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.021 -25.912 -15.820 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.820 -26.352 -14.135 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.546 -24.145 -13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.948 -23.608 -14.996 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.313 -24.123 -15.905 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.811 -24.261 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.378 -21.780 -14.704 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -24.498 -23.402 -15.084 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -25.412 -21.890 -15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -22.564 -19.850 -14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.323 -19.890 -14.848 1.00 0.00 H new ATOM 250 N GLN A 17 -16.946 -25.958 -13.849 1.00 0.00 N ATOM 251 CA GLN A 17 -16.137 -26.121 -12.646 1.00 0.00 C ATOM 252 C GLN A 17 -16.018 -24.803 -11.888 1.00 0.00 C ATOM 253 O GLN A 17 -16.191 -24.758 -10.670 1.00 0.00 O ATOM 254 CB GLN A 17 -14.746 -26.645 -13.010 1.00 0.00 C ATOM 255 CG GLN A 17 -14.298 -27.823 -12.160 1.00 0.00 C ATOM 256 CD GLN A 17 -13.572 -27.391 -10.901 1.00 0.00 C ATOM 257 OE1 GLN A 17 -13.904 -26.371 -10.298 1.00 0.00 O ATOM 258 NE2 GLN A 17 -12.574 -28.169 -10.497 1.00 0.00 N ATOM 0 H GLN A 17 -16.431 -25.619 -14.662 1.00 0.00 H new ATOM 0 HA GLN A 17 -16.632 -26.846 -11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.742 -26.942 -14.059 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.023 -25.836 -12.905 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.168 -28.420 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.644 -28.464 -12.750 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.333 -29.006 -11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.049 -27.930 -9.656 1.00 0.00 H new ATOM 267 N LYS A 18 -15.721 -23.731 -12.616 1.00 0.00 N ATOM 268 CA LYS A 18 -15.579 -22.412 -12.013 1.00 0.00 C ATOM 269 C LYS A 18 -15.400 -21.340 -13.085 1.00 0.00 C ATOM 270 O LYS A 18 -14.864 -21.607 -14.160 1.00 0.00 O ATOM 271 CB LYS A 18 -14.390 -22.394 -11.049 1.00 0.00 C ATOM 272 CG LYS A 18 -14.796 -22.379 -9.584 1.00 0.00 C ATOM 273 CD LYS A 18 -14.859 -20.961 -9.039 1.00 0.00 C ATOM 274 CE LYS A 18 -15.494 -20.923 -7.658 1.00 0.00 C ATOM 275 NZ LYS A 18 -16.981 -20.960 -7.729 1.00 0.00 N ATOM 0 H LYS A 18 -15.574 -23.751 -13.625 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.490 -22.193 -11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.768 -23.269 -11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.777 -21.517 -11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.769 -22.858 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.083 -22.963 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.853 -20.544 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.432 -20.333 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.137 -21.770 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.178 -20.019 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.375 -20.932 -6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.323 -20.139 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.284 -21.835 -8.202 1.00 0.00 H new ATOM 289 N VAL A 19 -15.850 -20.127 -12.783 1.00 0.00 N ATOM 290 CA VAL A 19 -15.738 -19.015 -13.719 1.00 0.00 C ATOM 291 C VAL A 19 -14.786 -17.947 -13.193 1.00 0.00 C ATOM 292 O VAL A 19 -14.054 -17.321 -13.960 1.00 0.00 O ATOM 293 CB VAL A 19 -17.111 -18.371 -13.992 1.00 0.00 C ATOM 294 CG1 VAL A 19 -17.010 -17.351 -15.116 1.00 0.00 C ATOM 295 CG2 VAL A 19 -18.144 -19.438 -14.323 1.00 0.00 C ATOM 0 H VAL A 19 -16.296 -19.889 -11.897 1.00 0.00 H new ATOM 0 HA VAL A 19 -15.344 -19.424 -14.649 1.00 0.00 H new ATOM 0 HB VAL A 19 -17.434 -17.851 -13.090 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -17.990 -16.907 -15.294 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.303 -16.570 -14.836 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -16.665 -17.844 -16.025 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -19.108 -18.965 -14.513 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -17.828 -19.987 -15.210 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -18.237 -20.127 -13.484 1.00 0.00 H new ATOM 305 N ASP A 20 -14.799 -17.744 -11.879 1.00 0.00 N ATOM 306 CA ASP A 20 -13.936 -16.752 -11.251 1.00 0.00 C ATOM 307 C ASP A 20 -12.483 -17.215 -11.254 1.00 0.00 C ATOM 308 O ASP A 20 -12.087 -18.059 -10.450 1.00 0.00 O ATOM 309 CB ASP A 20 -14.396 -16.480 -9.816 1.00 0.00 C ATOM 310 CG ASP A 20 -14.546 -14.999 -9.528 1.00 0.00 C ATOM 311 OD1 ASP A 20 -15.426 -14.361 -10.143 1.00 0.00 O ATOM 312 OD2 ASP A 20 -13.782 -14.478 -8.688 1.00 0.00 O ATOM 0 H ASP A 20 -15.398 -18.254 -11.229 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.005 -15.829 -11.828 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.349 -16.980 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.678 -16.912 -9.119 1.00 0.00 H new ATOM 317 N ASP A 21 -11.691 -16.657 -12.164 1.00 0.00 N ATOM 318 CA ASP A 21 -10.281 -17.013 -12.274 1.00 0.00 C ATOM 319 C ASP A 21 -9.407 -15.763 -12.308 1.00 0.00 C ATOM 320 O ASP A 21 -9.892 -14.662 -12.562 1.00 0.00 O ATOM 321 CB ASP A 21 -10.042 -17.856 -13.529 1.00 0.00 C ATOM 322 CG ASP A 21 -9.192 -19.080 -13.250 1.00 0.00 C ATOM 323 OD1 ASP A 21 -8.244 -18.974 -12.444 1.00 0.00 O ATOM 324 OD2 ASP A 21 -9.476 -20.145 -13.837 1.00 0.00 O ATOM 0 H ASP A 21 -12.002 -15.956 -12.836 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.009 -17.600 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.001 -18.169 -13.941 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.554 -17.244 -14.287 1.00 0.00 H new ATOM 329 N ASP A 22 -8.115 -15.944 -12.051 1.00 0.00 N ATOM 330 CA ASP A 22 -7.173 -14.830 -12.053 1.00 0.00 C ATOM 331 C ASP A 22 -5.989 -15.117 -12.971 1.00 0.00 C ATOM 332 O ASP A 22 -5.348 -16.162 -12.867 1.00 0.00 O ATOM 333 CB ASP A 22 -6.676 -14.555 -10.634 1.00 0.00 C ATOM 334 CG ASP A 22 -7.796 -14.145 -9.697 1.00 0.00 C ATOM 335 OD1 ASP A 22 -8.407 -13.082 -9.932 1.00 0.00 O ATOM 336 OD2 ASP A 22 -8.062 -14.889 -8.730 1.00 0.00 O ATOM 0 H ASP A 22 -7.697 -16.850 -11.839 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.693 -13.949 -12.428 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.188 -15.448 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.923 -13.767 -10.662 1.00 0.00 H new ATOM 341 N ARG A 23 -5.706 -14.179 -13.869 1.00 0.00 N ATOM 342 CA ARG A 23 -4.600 -14.323 -14.806 1.00 0.00 C ATOM 343 C ARG A 23 -4.084 -12.956 -15.241 1.00 0.00 C ATOM 344 O ARG A 23 -2.990 -12.542 -14.855 1.00 0.00 O ATOM 345 CB ARG A 23 -5.042 -15.128 -16.031 1.00 0.00 C ATOM 346 CG ARG A 23 -5.178 -16.618 -15.762 1.00 0.00 C ATOM 347 CD ARG A 23 -5.204 -17.417 -17.055 1.00 0.00 C ATOM 348 NE ARG A 23 -4.896 -18.828 -16.833 1.00 0.00 N ATOM 349 CZ ARG A 23 -5.765 -19.708 -16.341 1.00 0.00 C ATOM 350 NH1 ARG A 23 -6.996 -19.328 -16.018 1.00 0.00 N ATOM 351 NH2 ARG A 23 -5.403 -20.972 -16.170 1.00 0.00 N ATOM 0 H ARG A 23 -6.230 -13.309 -13.967 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.794 -14.857 -14.303 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.998 -14.742 -16.384 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.321 -14.976 -16.835 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.347 -16.954 -15.142 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.092 -16.805 -15.199 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.188 -17.329 -17.516 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.484 -16.995 -17.757 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.960 -19.158 -17.069 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.280 -18.357 -16.147 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.657 -20.007 -15.641 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.459 -21.270 -16.415 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.069 -21.647 -15.793 1.00 0.00 H new ATOM 365 N LYS A 24 -4.881 -12.256 -16.040 1.00 0.00 N ATOM 366 CA LYS A 24 -4.511 -10.931 -16.522 1.00 0.00 C ATOM 367 C LYS A 24 -5.250 -9.846 -15.744 1.00 0.00 C ATOM 368 O LYS A 24 -5.453 -8.739 -16.242 1.00 0.00 O ATOM 369 CB LYS A 24 -4.824 -10.806 -18.015 1.00 0.00 C ATOM 370 CG LYS A 24 -6.187 -11.359 -18.401 1.00 0.00 C ATOM 371 CD LYS A 24 -6.543 -11.015 -19.839 1.00 0.00 C ATOM 372 CE LYS A 24 -6.538 -12.249 -20.727 1.00 0.00 C ATOM 373 NZ LYS A 24 -7.806 -13.021 -20.614 1.00 0.00 N ATOM 0 H LYS A 24 -5.789 -12.585 -16.368 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.440 -10.799 -16.369 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.773 -9.756 -18.301 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.055 -11.329 -18.584 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.191 -12.442 -18.273 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.947 -10.957 -17.731 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.528 -10.548 -19.869 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.832 -10.285 -20.226 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.387 -11.949 -21.764 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.698 -12.889 -20.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.762 -13.854 -21.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.938 -13.330 -19.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.605 -12.419 -20.898 1.00 0.00 H new ATOM 387 N HIS A 25 -5.651 -10.173 -14.518 1.00 0.00 N ATOM 388 CA HIS A 25 -6.369 -9.229 -13.669 1.00 0.00 C ATOM 389 C HIS A 25 -5.612 -8.979 -12.367 1.00 0.00 C ATOM 390 O HIS A 25 -5.568 -7.855 -11.869 1.00 0.00 O ATOM 391 CB HIS A 25 -7.773 -9.755 -13.364 1.00 0.00 C ATOM 392 CG HIS A 25 -8.840 -8.710 -13.467 1.00 0.00 C ATOM 393 ND1 HIS A 25 -10.014 -8.758 -12.746 1.00 0.00 N ATOM 394 CD2 HIS A 25 -8.905 -7.580 -14.212 1.00 0.00 C ATOM 395 CE1 HIS A 25 -10.756 -7.707 -13.044 1.00 0.00 C ATOM 396 NE2 HIS A 25 -10.106 -6.975 -13.930 1.00 0.00 N ATOM 0 H HIS A 25 -5.490 -11.085 -14.091 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.449 -8.284 -14.206 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.005 -10.568 -14.052 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.784 -10.176 -12.358 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.153 -7.222 -14.899 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.729 -7.484 -12.633 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.441 -6.102 -14.339 1.00 0.00 H new ATOM 405 N GLU A 26 -5.017 -10.037 -11.822 1.00 0.00 N ATOM 406 CA GLU A 26 -4.263 -9.938 -10.578 1.00 0.00 C ATOM 407 C GLU A 26 -3.166 -8.882 -10.685 1.00 0.00 C ATOM 408 O GLU A 26 -2.956 -8.097 -9.760 1.00 0.00 O ATOM 409 CB GLU A 26 -3.651 -11.293 -10.226 1.00 0.00 C ATOM 410 CG GLU A 26 -3.497 -11.521 -8.733 1.00 0.00 C ATOM 411 CD GLU A 26 -3.566 -12.988 -8.356 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.184 -13.834 -9.191 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.002 -13.291 -7.226 1.00 0.00 O ATOM 0 H GLU A 26 -5.043 -10.974 -12.224 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.950 -9.638 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.275 -12.083 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.673 -11.375 -10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.543 -11.110 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.279 -10.977 -8.204 1.00 0.00 H new ATOM 420 N ILE A 27 -2.469 -8.869 -11.815 1.00 0.00 N ATOM 421 CA ILE A 27 -1.395 -7.908 -12.039 1.00 0.00 C ATOM 422 C ILE A 27 -1.954 -6.519 -12.328 1.00 0.00 C ATOM 423 O ILE A 27 -1.411 -5.514 -11.871 1.00 0.00 O ATOM 424 CB ILE A 27 -0.485 -8.338 -13.205 1.00 0.00 C ATOM 425 CG1 ILE A 27 -0.063 -9.799 -13.042 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.735 -7.434 -13.284 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.479 -10.416 -14.313 1.00 0.00 C ATOM 0 H ILE A 27 -2.628 -9.513 -12.590 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.804 -7.877 -11.124 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.044 -8.244 -14.136 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.697 -9.865 -12.263 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.920 -10.381 -12.702 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.369 -7.750 -14.113 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.415 -6.404 -13.444 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.297 -7.499 -12.352 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.758 -11.452 -14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.286 -10.382 -15.089 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.355 -9.858 -14.643 1.00 0.00 H new ATOM 439 N GLU A 28 -3.041 -6.471 -13.091 1.00 0.00 N ATOM 440 CA GLU A 28 -3.673 -5.205 -13.440 1.00 0.00 C ATOM 441 C GLU A 28 -4.220 -4.513 -12.196 1.00 0.00 C ATOM 442 O GLU A 28 -4.032 -3.310 -12.008 1.00 0.00 O ATOM 443 CB GLU A 28 -4.801 -5.434 -14.449 1.00 0.00 C ATOM 444 CG GLU A 28 -5.221 -4.173 -15.187 1.00 0.00 C ATOM 445 CD GLU A 28 -6.532 -4.343 -15.930 1.00 0.00 C ATOM 446 OE1 GLU A 28 -7.592 -4.347 -15.270 1.00 0.00 O ATOM 447 OE2 GLU A 28 -6.498 -4.471 -17.172 1.00 0.00 O ATOM 0 H GLU A 28 -3.502 -7.294 -13.479 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.918 -4.561 -13.892 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.481 -6.181 -15.176 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.666 -5.845 -13.928 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.315 -3.353 -14.475 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.440 -3.893 -15.894 1.00 0.00 H new ATOM 454 N ALA A 29 -4.897 -5.280 -11.348 1.00 0.00 N ATOM 455 CA ALA A 29 -5.469 -4.742 -10.120 1.00 0.00 C ATOM 456 C ALA A 29 -4.378 -4.219 -9.194 1.00 0.00 C ATOM 457 O ALA A 29 -4.591 -3.264 -8.446 1.00 0.00 O ATOM 458 CB ALA A 29 -6.299 -5.804 -9.416 1.00 0.00 C ATOM 0 H ALA A 29 -5.063 -6.276 -11.489 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.118 -3.907 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.720 -5.389 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.106 -6.129 -10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.666 -6.657 -9.170 1.00 0.00 H new ATOM 464 N ALA A 30 -3.209 -4.848 -9.250 1.00 0.00 N ATOM 465 CA ALA A 30 -2.083 -4.444 -8.417 1.00 0.00 C ATOM 466 C ALA A 30 -1.606 -3.044 -8.782 1.00 0.00 C ATOM 467 O ALA A 30 -1.232 -2.258 -7.912 1.00 0.00 O ATOM 468 CB ALA A 30 -0.944 -5.444 -8.548 1.00 0.00 C ATOM 0 H ALA A 30 -3.017 -5.640 -9.864 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.418 -4.426 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.110 -5.130 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.286 -6.429 -8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.619 -5.491 -9.587 1.00 0.00 H new ATOM 474 N ILE A 31 -1.625 -2.736 -10.075 1.00 0.00 N ATOM 475 CA ILE A 31 -1.197 -1.428 -10.554 1.00 0.00 C ATOM 476 C ILE A 31 -2.103 -0.328 -10.014 1.00 0.00 C ATOM 477 O ILE A 31 -1.632 0.730 -9.597 1.00 0.00 O ATOM 478 CB ILE A 31 -1.189 -1.367 -12.095 1.00 0.00 C ATOM 479 CG1 ILE A 31 -0.350 -2.509 -12.669 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.659 -0.023 -12.573 1.00 0.00 C ATOM 481 CD1 ILE A 31 -0.658 -2.817 -14.118 1.00 0.00 C ATOM 0 H ILE A 31 -1.932 -3.374 -10.809 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.181 -1.271 -10.190 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.213 -1.478 -12.451 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.706 -2.255 -12.577 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.516 -3.406 -12.072 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.661 0.002 -13.663 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.295 0.776 -12.191 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.359 0.117 -12.208 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.026 -3.637 -14.458 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.706 -3.102 -14.215 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.465 -1.934 -14.727 1.00 0.00 H new ATOM 493 N VAL A 32 -3.407 -0.588 -10.018 1.00 0.00 N ATOM 494 CA VAL A 32 -4.380 0.378 -9.525 1.00 0.00 C ATOM 495 C VAL A 32 -4.344 0.460 -8.002 1.00 0.00 C ATOM 496 O VAL A 32 -4.632 1.506 -7.421 1.00 0.00 O ATOM 497 CB VAL A 32 -5.808 0.018 -9.975 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.778 1.135 -9.622 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.840 -0.274 -11.467 1.00 0.00 C ATOM 0 H VAL A 32 -3.813 -1.460 -10.357 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.109 1.346 -9.947 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.119 -0.882 -9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.782 0.862 -9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.777 1.291 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.472 2.054 -10.122 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.857 -0.526 -11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.508 0.606 -12.017 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.178 -1.111 -11.688 1.00 0.00 H new ATOM 509 N ARG A 33 -3.989 -0.649 -7.363 1.00 0.00 N ATOM 510 CA ARG A 33 -3.914 -0.705 -5.908 1.00 0.00 C ATOM 511 C ARG A 33 -2.732 0.111 -5.393 1.00 0.00 C ATOM 512 O ARG A 33 -2.877 0.930 -4.487 1.00 0.00 O ATOM 513 CB ARG A 33 -3.792 -2.155 -5.438 1.00 0.00 C ATOM 514 CG ARG A 33 -4.520 -2.434 -4.131 1.00 0.00 C ATOM 515 CD ARG A 33 -3.566 -2.898 -3.041 1.00 0.00 C ATOM 516 NE ARG A 33 -3.415 -1.900 -1.985 1.00 0.00 N ATOM 517 CZ ARG A 33 -2.406 -1.887 -1.116 1.00 0.00 C ATOM 518 NH1 ARG A 33 -1.457 -2.813 -1.176 1.00 0.00 N ATOM 519 NH2 ARG A 33 -2.344 -0.944 -0.187 1.00 0.00 N ATOM 0 H ARG A 33 -3.748 -1.523 -7.831 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.831 -0.276 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.186 -2.814 -6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.737 -2.402 -5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.036 -1.532 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.283 -3.195 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.933 -3.829 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.591 -3.112 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.124 -1.170 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.498 -3.540 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.687 -2.798 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.069 -0.228 -0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.571 -0.934 0.479 1.00 0.00 H new ATOM 533 N ILE A 34 -1.562 -0.119 -5.980 1.00 0.00 N ATOM 534 CA ILE A 34 -0.355 0.596 -5.581 1.00 0.00 C ATOM 535 C ILE A 34 -0.459 2.077 -5.929 1.00 0.00 C ATOM 536 O ILE A 34 -0.148 2.939 -5.108 1.00 0.00 O ATOM 537 CB ILE A 34 0.900 0.006 -6.257 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.982 -1.501 -6.004 1.00 0.00 C ATOM 539 CG2 ILE A 34 2.154 0.700 -5.747 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.868 -2.231 -6.990 1.00 0.00 C ATOM 0 H ILE A 34 -1.424 -0.794 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.260 0.483 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 34 0.826 0.173 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.357 -1.672 -4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.022 -1.924 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.030 0.272 -6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.098 1.765 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.234 0.561 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.880 -3.294 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.482 -2.090 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.882 -1.835 -6.931 1.00 0.00 H new ATOM 552 N MET A 35 -0.902 2.366 -7.148 1.00 0.00 N ATOM 553 CA MET A 35 -1.047 3.745 -7.601 1.00 0.00 C ATOM 554 C MET A 35 -2.015 4.514 -6.707 1.00 0.00 C ATOM 555 O MET A 35 -1.896 5.729 -6.547 1.00 0.00 O ATOM 556 CB MET A 35 -1.541 3.780 -9.050 1.00 0.00 C ATOM 557 CG MET A 35 -0.466 3.457 -10.078 1.00 0.00 C ATOM 558 SD MET A 35 1.023 4.451 -9.876 1.00 0.00 S ATOM 559 CE MET A 35 0.797 5.621 -11.204 1.00 0.00 C ATOM 0 H MET A 35 -1.167 1.665 -7.840 1.00 0.00 H new ATOM 0 HA MET A 35 -0.069 4.222 -7.544 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.361 3.070 -9.161 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.946 4.770 -9.261 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.205 2.402 -10.003 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.869 3.615 -11.078 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.475 6.463 -11.066 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.010 5.136 -12.157 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.232 5.980 -11.201 1.00 0.00 H new ATOM 569 N LYS A 36 -2.976 3.801 -6.128 1.00 0.00 N ATOM 570 CA LYS A 36 -3.966 4.419 -5.253 1.00 0.00 C ATOM 571 C LYS A 36 -3.306 5.011 -4.010 1.00 0.00 C ATOM 572 O LYS A 36 -3.764 6.021 -3.476 1.00 0.00 O ATOM 573 CB LYS A 36 -5.027 3.393 -4.845 1.00 0.00 C ATOM 574 CG LYS A 36 -6.452 3.854 -5.115 1.00 0.00 C ATOM 575 CD LYS A 36 -7.220 2.848 -5.958 1.00 0.00 C ATOM 576 CE LYS A 36 -8.258 2.103 -5.134 1.00 0.00 C ATOM 577 NZ LYS A 36 -7.697 0.868 -4.519 1.00 0.00 N ATOM 0 H LYS A 36 -3.090 2.795 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.445 5.228 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.847 2.462 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.920 3.174 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.970 4.006 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.432 4.817 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.711 3.364 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.523 2.134 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.638 2.758 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.105 1.840 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.436 0.389 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.357 0.231 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.905 1.120 -3.894 1.00 0.00 H new ATOM 591 N SER A 37 -2.230 4.377 -3.555 1.00 0.00 N ATOM 592 CA SER A 37 -1.511 4.842 -2.374 1.00 0.00 C ATOM 593 C SER A 37 -0.240 5.588 -2.767 1.00 0.00 C ATOM 594 O SER A 37 0.060 6.651 -2.224 1.00 0.00 O ATOM 595 CB SER A 37 -1.164 3.661 -1.467 1.00 0.00 C ATOM 596 OG SER A 37 -1.295 4.013 -0.099 1.00 0.00 O ATOM 0 H SER A 37 -1.837 3.540 -3.986 1.00 0.00 H new ATOM 0 HA SER A 37 -2.160 5.530 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.819 2.820 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.144 3.333 -1.665 1.00 0.00 H new ATOM 0 HG SER A 37 -1.069 3.241 0.461 1.00 0.00 H new ATOM 602 N ARG A 38 0.503 5.021 -3.711 1.00 0.00 N ATOM 603 CA ARG A 38 1.745 5.631 -4.176 1.00 0.00 C ATOM 604 C ARG A 38 1.462 6.867 -5.024 1.00 0.00 C ATOM 605 O ARG A 38 2.251 7.812 -5.041 1.00 0.00 O ATOM 606 CB ARG A 38 2.561 4.621 -4.984 1.00 0.00 C ATOM 607 CG ARG A 38 3.228 3.556 -4.128 1.00 0.00 C ATOM 608 CD ARG A 38 4.614 3.988 -3.679 1.00 0.00 C ATOM 609 NE ARG A 38 4.625 4.441 -2.290 1.00 0.00 N ATOM 610 CZ ARG A 38 5.736 4.699 -1.603 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.925 4.551 -2.173 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.657 5.106 -0.344 1.00 0.00 N ATOM 0 H ARG A 38 0.268 4.141 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 38 2.319 5.937 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.908 4.136 -5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.326 5.153 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.609 3.350 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.301 2.627 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.308 3.155 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.970 4.791 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 38 3.729 4.567 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.991 4.238 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.773 4.750 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.745 5.221 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.508 5.304 0.182 1.00 0.00 H new ATOM 626 N LYS A 39 0.332 6.852 -5.726 1.00 0.00 N ATOM 627 CA LYS A 39 -0.056 7.972 -6.578 1.00 0.00 C ATOM 628 C LYS A 39 0.951 8.174 -7.707 1.00 0.00 C ATOM 629 O LYS A 39 0.721 7.747 -8.839 1.00 0.00 O ATOM 630 CB LYS A 39 -0.185 9.253 -5.750 1.00 0.00 C ATOM 631 CG LYS A 39 -1.562 9.446 -5.138 1.00 0.00 C ATOM 632 CD LYS A 39 -1.785 8.510 -3.961 1.00 0.00 C ATOM 633 CE LYS A 39 -2.589 9.181 -2.859 1.00 0.00 C ATOM 634 NZ LYS A 39 -1.718 9.695 -1.767 1.00 0.00 N ATOM 0 H LYS A 39 -0.331 6.077 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.024 7.740 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.558 9.237 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.045 10.110 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.673 10.479 -4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.326 9.269 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.307 7.615 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.822 8.186 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.165 10.004 -3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.304 8.469 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.306 10.145 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.187 8.906 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.052 10.394 -2.154 1.00 0.00 H new ATOM 648 N LYS A 40 2.066 8.827 -7.394 1.00 0.00 N ATOM 649 CA LYS A 40 3.106 9.082 -8.386 1.00 0.00 C ATOM 650 C LYS A 40 4.215 8.040 -8.290 1.00 0.00 C ATOM 651 O LYS A 40 5.026 8.065 -7.364 1.00 0.00 O ATOM 652 CB LYS A 40 3.689 10.483 -8.197 1.00 0.00 C ATOM 653 CG LYS A 40 4.565 10.938 -9.352 1.00 0.00 C ATOM 654 CD LYS A 40 4.881 12.421 -9.263 1.00 0.00 C ATOM 655 CE LYS A 40 5.996 12.813 -10.219 1.00 0.00 C ATOM 656 NZ LYS A 40 7.321 12.306 -9.767 1.00 0.00 N ATOM 0 H LYS A 40 2.273 9.189 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 40 2.654 9.016 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.872 11.193 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.275 10.503 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.493 10.367 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.062 10.729 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.985 12.999 -9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.171 12.671 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.777 12.421 -11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.034 13.899 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.904 13.102 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.187 11.630 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.799 11.831 -10.559 1.00 0.00 H new ATOM 670 N MET A 41 4.244 7.122 -9.251 1.00 0.00 N ATOM 671 CA MET A 41 5.254 6.070 -9.274 1.00 0.00 C ATOM 672 C MET A 41 5.913 5.976 -10.646 1.00 0.00 C ATOM 673 O MET A 41 5.283 6.252 -11.668 1.00 0.00 O ATOM 674 CB MET A 41 4.627 4.725 -8.904 1.00 0.00 C ATOM 675 CG MET A 41 5.642 3.674 -8.484 1.00 0.00 C ATOM 676 SD MET A 41 5.654 3.391 -6.702 1.00 0.00 S ATOM 677 CE MET A 41 5.729 1.602 -6.645 1.00 0.00 C ATOM 0 H MET A 41 3.580 7.085 -10.024 1.00 0.00 H new ATOM 0 HA MET A 41 6.020 6.321 -8.540 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.916 4.876 -8.092 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.061 4.351 -9.757 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.421 2.737 -8.995 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.636 3.986 -8.805 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.980 1.229 -5.946 1.00 0.00 H new ATOM 0 HE2 MET A 41 5.532 1.198 -7.638 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.720 1.290 -6.316 1.00 0.00 H new ATOM 687 N GLN A 42 7.183 5.585 -10.662 1.00 0.00 N ATOM 688 CA GLN A 42 7.927 5.453 -11.910 1.00 0.00 C ATOM 689 C GLN A 42 7.578 4.146 -12.615 1.00 0.00 C ATOM 690 O GLN A 42 6.820 3.330 -12.092 1.00 0.00 O ATOM 691 CB GLN A 42 9.432 5.517 -11.639 1.00 0.00 C ATOM 692 CG GLN A 42 10.053 6.865 -11.972 1.00 0.00 C ATOM 693 CD GLN A 42 11.535 6.918 -11.660 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.009 6.264 -10.730 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.277 7.699 -12.437 1.00 0.00 N ATOM 0 H GLN A 42 7.719 5.354 -9.825 1.00 0.00 H new ATOM 0 HA GLN A 42 7.648 6.281 -12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.613 5.292 -10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.931 4.742 -12.221 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.900 7.080 -13.030 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.539 7.646 -11.411 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.843 8.223 -13.197 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.281 7.774 -12.274 1.00 0.00 H new ATOM 704 N HIS A 43 8.137 3.955 -13.806 1.00 0.00 N ATOM 705 CA HIS A 43 7.885 2.747 -14.584 1.00 0.00 C ATOM 706 C HIS A 43 8.560 1.537 -13.946 1.00 0.00 C ATOM 707 O HIS A 43 7.894 0.581 -13.550 1.00 0.00 O ATOM 708 CB HIS A 43 8.383 2.927 -16.019 1.00 0.00 C ATOM 709 CG HIS A 43 7.738 1.995 -16.997 1.00 0.00 C ATOM 710 ND1 HIS A 43 7.430 0.684 -16.698 1.00 0.00 N ATOM 711 CD2 HIS A 43 7.341 2.190 -18.277 1.00 0.00 C ATOM 712 CE1 HIS A 43 6.871 0.114 -17.751 1.00 0.00 C ATOM 713 NE2 HIS A 43 6.805 1.007 -18.722 1.00 0.00 N ATOM 0 H HIS A 43 8.767 4.621 -14.253 1.00 0.00 H new ATOM 0 HA HIS A 43 6.809 2.573 -14.599 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.199 3.954 -16.333 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.462 2.775 -16.042 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.430 3.106 -18.843 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.527 -0.908 -17.808 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.418 0.844 -19.652 1.00 0.00 H new ATOM 722 N ASN A 44 9.885 1.585 -13.850 1.00 0.00 N ATOM 723 CA ASN A 44 10.648 0.491 -13.260 1.00 0.00 C ATOM 724 C ASN A 44 10.194 0.218 -11.830 1.00 0.00 C ATOM 725 O ASN A 44 10.054 -0.935 -11.421 1.00 0.00 O ATOM 726 CB ASN A 44 12.144 0.815 -13.283 1.00 0.00 C ATOM 727 CG ASN A 44 12.977 -0.330 -13.822 1.00 0.00 C ATOM 728 OD1 ASN A 44 13.159 -0.464 -15.032 1.00 0.00 O ATOM 729 ND2 ASN A 44 13.489 -1.164 -12.924 1.00 0.00 N ATOM 0 H ASN A 44 10.452 2.369 -14.173 1.00 0.00 H new ATOM 0 HA ASN A 44 10.469 -0.406 -13.853 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.311 1.701 -13.895 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.476 1.058 -12.273 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.059 -1.954 -13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.312 -1.015 -11.931 1.00 0.00 H new ATOM 736 N VAL A 45 9.962 1.286 -11.074 1.00 0.00 N ATOM 737 CA VAL A 45 9.520 1.161 -9.690 1.00 0.00 C ATOM 738 C VAL A 45 8.194 0.413 -9.608 1.00 0.00 C ATOM 739 O VAL A 45 7.989 -0.415 -8.720 1.00 0.00 O ATOM 740 CB VAL A 45 9.362 2.540 -9.022 1.00 0.00 C ATOM 741 CG1 VAL A 45 9.062 2.385 -7.539 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.611 3.382 -9.234 1.00 0.00 C ATOM 0 H VAL A 45 10.073 2.247 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 45 10.288 0.598 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 45 8.521 3.054 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.954 3.370 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.137 1.823 -7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.880 1.851 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.481 4.353 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.471 2.874 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.777 3.524 -10.302 1.00 0.00 H new ATOM 752 N LEU A 46 7.298 0.708 -10.544 1.00 0.00 N ATOM 753 CA LEU A 46 5.991 0.063 -10.583 1.00 0.00 C ATOM 754 C LEU A 46 6.130 -1.414 -10.936 1.00 0.00 C ATOM 755 O LEU A 46 5.406 -2.260 -10.412 1.00 0.00 O ATOM 756 CB LEU A 46 5.086 0.762 -11.599 1.00 0.00 C ATOM 757 CG LEU A 46 3.715 0.114 -11.800 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.854 0.293 -10.560 1.00 0.00 C ATOM 759 CD2 LEU A 46 3.024 0.701 -13.022 1.00 0.00 C ATOM 0 H LEU A 46 7.453 1.390 -11.286 1.00 0.00 H new ATOM 0 HA LEU A 46 5.540 0.142 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.940 1.795 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.600 0.793 -12.560 1.00 0.00 H new ATOM 0 HG LEU A 46 3.858 -0.954 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.882 -0.174 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.344 -0.174 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.717 1.356 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.050 0.229 -13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.892 1.774 -12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.634 0.521 -13.907 1.00 0.00 H new ATOM 771 N VAL A 47 7.068 -1.715 -11.829 1.00 0.00 N ATOM 772 CA VAL A 47 7.307 -3.089 -12.255 1.00 0.00 C ATOM 773 C VAL A 47 7.967 -3.899 -11.144 1.00 0.00 C ATOM 774 O VAL A 47 7.497 -4.978 -10.784 1.00 0.00 O ATOM 775 CB VAL A 47 8.196 -3.136 -13.513 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.361 -4.567 -14.003 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.618 -2.253 -14.610 1.00 0.00 C ATOM 0 H VAL A 47 7.675 -1.025 -12.272 1.00 0.00 H new ATOM 0 HA VAL A 47 6.336 -3.526 -12.490 1.00 0.00 H new ATOM 0 HB VAL A 47 9.182 -2.753 -13.250 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.992 -4.577 -14.892 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.826 -5.168 -13.221 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.384 -4.983 -14.247 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.259 -2.299 -15.490 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.619 -2.603 -14.870 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.561 -1.224 -14.256 1.00 0.00 H new ATOM 787 N ALA A 48 9.062 -3.372 -10.606 1.00 0.00 N ATOM 788 CA ALA A 48 9.789 -4.045 -9.536 1.00 0.00 C ATOM 789 C ALA A 48 8.894 -4.286 -8.324 1.00 0.00 C ATOM 790 O ALA A 48 9.123 -5.212 -7.547 1.00 0.00 O ATOM 791 CB ALA A 48 11.011 -3.230 -9.136 1.00 0.00 C ATOM 0 H ALA A 48 9.465 -2.480 -10.894 1.00 0.00 H new ATOM 0 HA ALA A 48 10.116 -5.015 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.545 -3.743 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.670 -3.115 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.695 -2.247 -8.788 1.00 0.00 H new ATOM 797 N GLU A 49 7.876 -3.446 -8.167 1.00 0.00 N ATOM 798 CA GLU A 49 6.951 -3.569 -7.047 1.00 0.00 C ATOM 799 C GLU A 49 5.874 -4.610 -7.337 1.00 0.00 C ATOM 800 O GLU A 49 5.770 -5.619 -6.640 1.00 0.00 O ATOM 801 CB GLU A 49 6.302 -2.215 -6.744 1.00 0.00 C ATOM 802 CG GLU A 49 6.892 -1.517 -5.531 1.00 0.00 C ATOM 803 CD GLU A 49 6.276 -1.991 -4.229 1.00 0.00 C ATOM 804 OE1 GLU A 49 6.642 -3.091 -3.766 1.00 0.00 O ATOM 805 OE2 GLU A 49 5.429 -1.261 -3.672 1.00 0.00 O ATOM 0 H GLU A 49 7.671 -2.674 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 49 7.518 -3.897 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.409 -1.567 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.234 -2.361 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.968 -1.690 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.745 -0.441 -5.628 1.00 0.00 H new ATOM 812 N VAL A 50 5.073 -4.356 -8.368 1.00 0.00 N ATOM 813 CA VAL A 50 3.999 -5.269 -8.751 1.00 0.00 C ATOM 814 C VAL A 50 4.515 -6.693 -8.943 1.00 0.00 C ATOM 815 O VAL A 50 3.771 -7.659 -8.771 1.00 0.00 O ATOM 816 CB VAL A 50 3.308 -4.806 -10.049 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.101 -5.680 -10.354 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.904 -3.341 -9.949 1.00 0.00 C ATOM 0 H VAL A 50 5.147 -3.525 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 50 3.276 -5.260 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 50 4.017 -4.907 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.627 -5.337 -11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.422 -6.715 -10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.388 -5.615 -9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.418 -3.034 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.213 -3.210 -9.116 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.791 -2.729 -9.784 1.00 0.00 H new ATOM 828 N THR A 51 5.788 -6.817 -9.302 1.00 0.00 N ATOM 829 CA THR A 51 6.395 -8.125 -9.520 1.00 0.00 C ATOM 830 C THR A 51 6.796 -8.772 -8.197 1.00 0.00 C ATOM 831 O THR A 51 6.400 -9.899 -7.901 1.00 0.00 O ATOM 832 CB THR A 51 7.619 -7.998 -10.430 1.00 0.00 C ATOM 833 OG1 THR A 51 7.285 -7.312 -11.624 1.00 0.00 O ATOM 834 CG2 THR A 51 8.217 -9.333 -10.818 1.00 0.00 C ATOM 0 H THR A 51 6.419 -6.029 -9.448 1.00 0.00 H new ATOM 0 HA THR A 51 5.654 -8.762 -10.003 1.00 0.00 H new ATOM 0 HB THR A 51 8.356 -7.444 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.069 -6.379 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.081 -9.171 -11.463 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.529 -9.866 -9.920 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.472 -9.924 -11.351 1.00 0.00 H new ATOM 842 N GLN A 52 7.588 -8.054 -7.407 1.00 0.00 N ATOM 843 CA GLN A 52 8.046 -8.562 -6.119 1.00 0.00 C ATOM 844 C GLN A 52 6.878 -8.738 -5.152 1.00 0.00 C ATOM 845 O GLN A 52 6.835 -9.701 -4.386 1.00 0.00 O ATOM 846 CB GLN A 52 9.085 -7.615 -5.513 1.00 0.00 C ATOM 847 CG GLN A 52 10.203 -8.333 -4.774 1.00 0.00 C ATOM 848 CD GLN A 52 11.555 -8.146 -5.437 1.00 0.00 C ATOM 849 OE1 GLN A 52 12.016 -9.006 -6.187 1.00 0.00 O ATOM 850 NE2 GLN A 52 12.199 -7.018 -5.159 1.00 0.00 N ATOM 0 H GLN A 52 7.926 -7.119 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 52 8.504 -9.537 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.518 -7.007 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.585 -6.933 -4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.251 -7.965 -3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.973 -9.397 -4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.779 -6.332 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.113 -6.837 -5.573 1.00 0.00 H new ATOM 859 N GLN A 53 5.935 -7.802 -5.189 1.00 0.00 N ATOM 860 CA GLN A 53 4.770 -7.858 -4.312 1.00 0.00 C ATOM 861 C GLN A 53 3.913 -9.081 -4.619 1.00 0.00 C ATOM 862 O GLN A 53 3.414 -9.745 -3.710 1.00 0.00 O ATOM 863 CB GLN A 53 3.931 -6.587 -4.458 1.00 0.00 C ATOM 864 CG GLN A 53 4.389 -5.450 -3.559 1.00 0.00 C ATOM 865 CD GLN A 53 3.451 -4.260 -3.603 1.00 0.00 C ATOM 866 OE1 GLN A 53 2.512 -4.164 -2.812 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.702 -3.345 -4.532 1.00 0.00 N ATOM 0 H GLN A 53 5.954 -6.997 -5.815 1.00 0.00 H new ATOM 0 HA GLN A 53 5.127 -7.935 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.966 -6.255 -5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.890 -6.821 -4.233 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.465 -5.811 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.387 -5.133 -3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.491 -3.466 -5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.105 -2.521 -4.611 1.00 0.00 H new ATOM 876 N LEU A 54 3.744 -9.373 -5.904 1.00 0.00 N ATOM 877 CA LEU A 54 2.943 -10.516 -6.328 1.00 0.00 C ATOM 878 C LEU A 54 3.829 -11.717 -6.640 1.00 0.00 C ATOM 879 O LEU A 54 3.520 -12.515 -7.526 1.00 0.00 O ATOM 880 CB LEU A 54 2.107 -10.151 -7.555 1.00 0.00 C ATOM 881 CG LEU A 54 1.113 -9.008 -7.345 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.746 -8.368 -8.675 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.133 -9.511 -6.631 1.00 0.00 C ATOM 0 H LEU A 54 4.150 -8.835 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 54 2.276 -10.784 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.781 -9.881 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.557 -11.035 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 54 1.586 -8.251 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.038 -7.557 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.644 -7.972 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.292 -9.116 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.830 -8.685 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.608 -10.287 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.145 -9.922 -5.660 1.00 0.00 H new ATOM 895 N LYS A 55 4.929 -11.844 -5.906 1.00 0.00 N ATOM 896 CA LYS A 55 5.857 -12.950 -6.104 1.00 0.00 C ATOM 897 C LYS A 55 5.743 -13.965 -4.970 1.00 0.00 C ATOM 898 O LYS A 55 6.716 -14.632 -4.621 1.00 0.00 O ATOM 899 CB LYS A 55 7.293 -12.427 -6.201 1.00 0.00 C ATOM 900 CG LYS A 55 7.966 -12.747 -7.524 1.00 0.00 C ATOM 901 CD LYS A 55 9.448 -13.034 -7.342 1.00 0.00 C ATOM 902 CE LYS A 55 10.285 -11.773 -7.497 1.00 0.00 C ATOM 903 NZ LYS A 55 11.209 -11.574 -6.346 1.00 0.00 N ATOM 0 H LYS A 55 5.199 -11.194 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 55 5.598 -13.449 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.288 -11.347 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.882 -12.854 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.481 -13.610 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.838 -11.910 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.617 -13.465 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.768 -13.776 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.862 -11.832 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.626 -10.909 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.649 -10.634 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.675 -11.645 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.949 -12.304 -6.365 1.00 0.00 H new ATOM 917 N ALA A 56 4.548 -14.076 -4.399 1.00 0.00 N ATOM 918 CA ALA A 56 4.306 -15.009 -3.306 1.00 0.00 C ATOM 919 C ALA A 56 3.303 -16.082 -3.715 1.00 0.00 C ATOM 920 O ALA A 56 3.513 -17.270 -3.468 1.00 0.00 O ATOM 921 CB ALA A 56 3.811 -14.263 -2.076 1.00 0.00 C ATOM 0 H ALA A 56 3.732 -13.531 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 56 5.248 -15.501 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.634 -14.972 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.562 -13.537 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.882 -13.745 -2.314 1.00 0.00 H new ATOM 927 N ARG A 57 2.211 -15.656 -4.343 1.00 0.00 N ATOM 928 CA ARG A 57 1.176 -16.580 -4.788 1.00 0.00 C ATOM 929 C ARG A 57 1.487 -17.115 -6.182 1.00 0.00 C ATOM 930 O ARG A 57 1.237 -18.283 -6.480 1.00 0.00 O ATOM 931 CB ARG A 57 -0.189 -15.887 -4.785 1.00 0.00 C ATOM 932 CG ARG A 57 -1.354 -16.839 -4.995 1.00 0.00 C ATOM 933 CD ARG A 57 -2.688 -16.133 -4.816 1.00 0.00 C ATOM 934 NE ARG A 57 -2.859 -15.620 -3.459 1.00 0.00 N ATOM 935 CZ ARG A 57 -4.013 -15.166 -2.977 1.00 0.00 C ATOM 936 NH1 ARG A 57 -5.100 -15.157 -3.739 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.082 -14.716 -1.731 1.00 0.00 N ATOM 0 H ARG A 57 2.021 -14.676 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 57 1.150 -17.421 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.321 -15.368 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.204 -15.129 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.299 -17.268 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.281 -17.666 -4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.760 -15.310 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.498 -16.825 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.045 -15.609 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.053 -15.499 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.982 -14.808 -3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.250 -14.718 -1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.967 -14.368 -1.363 1.00 0.00 H new ATOM 951 N PHE A 58 2.039 -16.254 -7.030 1.00 0.00 N ATOM 952 CA PHE A 58 2.389 -16.640 -8.393 1.00 0.00 C ATOM 953 C PHE A 58 3.647 -15.913 -8.857 1.00 0.00 C ATOM 954 O PHE A 58 4.243 -15.143 -8.105 1.00 0.00 O ATOM 955 CB PHE A 58 1.230 -16.342 -9.347 1.00 0.00 C ATOM 956 CG PHE A 58 0.743 -14.923 -9.277 1.00 0.00 C ATOM 957 CD1 PHE A 58 -0.127 -14.525 -8.275 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.154 -13.990 -10.214 1.00 0.00 C ATOM 959 CE1 PHE A 58 -0.577 -13.219 -8.209 1.00 0.00 C ATOM 960 CE2 PHE A 58 0.708 -12.683 -10.153 1.00 0.00 C ATOM 961 CZ PHE A 58 -0.159 -12.298 -9.149 1.00 0.00 C ATOM 0 H PHE A 58 2.254 -15.284 -6.798 1.00 0.00 H new ATOM 0 HA PHE A 58 2.586 -17.712 -8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.546 -16.559 -10.368 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.402 -17.013 -9.120 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.457 -15.242 -7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.831 -14.287 -11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.255 -12.920 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.037 -11.964 -10.889 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.510 -11.278 -9.099 1.00 0.00 H new ATOM 971 N LEU A 59 4.047 -16.165 -10.099 1.00 0.00 N ATOM 972 CA LEU A 59 5.235 -15.535 -10.662 1.00 0.00 C ATOM 973 C LEU A 59 4.887 -14.732 -11.914 1.00 0.00 C ATOM 974 O LEU A 59 4.920 -15.255 -13.026 1.00 0.00 O ATOM 975 CB LEU A 59 6.287 -16.593 -10.998 1.00 0.00 C ATOM 976 CG LEU A 59 6.437 -17.708 -9.960 1.00 0.00 C ATOM 977 CD1 LEU A 59 5.488 -18.855 -10.268 1.00 0.00 C ATOM 978 CD2 LEU A 59 7.876 -18.201 -9.914 1.00 0.00 C ATOM 0 H LEU A 59 3.566 -16.801 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 59 5.640 -14.852 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.035 -17.043 -11.958 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.251 -16.099 -11.121 1.00 0.00 H new ATOM 0 HG LEU A 59 6.180 -17.305 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.609 -19.638 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.460 -18.492 -10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.713 -19.259 -11.255 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.966 -18.994 -9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.160 -18.588 -10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.535 -17.375 -9.645 1.00 0.00 H new ATOM 990 N PRO A 60 4.545 -13.441 -11.747 1.00 0.00 N ATOM 991 CA PRO A 60 4.190 -12.567 -12.869 1.00 0.00 C ATOM 992 C PRO A 60 5.401 -12.187 -13.713 1.00 0.00 C ATOM 993 O PRO A 60 6.484 -12.752 -13.555 1.00 0.00 O ATOM 994 CB PRO A 60 3.609 -11.331 -12.182 1.00 0.00 C ATOM 995 CG PRO A 60 4.265 -11.298 -10.846 1.00 0.00 C ATOM 996 CD PRO A 60 4.479 -12.734 -10.452 1.00 0.00 C ATOM 0 HA PRO A 60 3.502 -13.051 -13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.822 -10.425 -12.750 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.525 -11.402 -12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.212 -10.760 -10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.639 -10.783 -10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.397 -12.860 -9.879 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.663 -13.106 -9.833 1.00 0.00 H new ATOM 1004 N SER A 61 5.211 -11.225 -14.611 1.00 0.00 N ATOM 1005 CA SER A 61 6.288 -10.767 -15.481 1.00 0.00 C ATOM 1006 C SER A 61 5.995 -9.365 -16.013 1.00 0.00 C ATOM 1007 O SER A 61 4.867 -9.066 -16.403 1.00 0.00 O ATOM 1008 CB SER A 61 6.476 -11.738 -16.648 1.00 0.00 C ATOM 1009 OG SER A 61 7.837 -11.817 -17.032 1.00 0.00 O ATOM 0 H SER A 61 4.321 -10.748 -14.755 1.00 0.00 H new ATOM 0 HA SER A 61 7.207 -10.731 -14.896 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.117 -12.727 -16.363 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.874 -11.413 -17.496 1.00 0.00 H new ATOM 0 HG SER A 61 7.930 -12.445 -17.778 1.00 0.00 H new ATOM 1015 N PRO A 62 7.009 -8.480 -16.034 1.00 0.00 N ATOM 1016 CA PRO A 62 6.845 -7.107 -16.522 1.00 0.00 C ATOM 1017 C PRO A 62 6.225 -7.055 -17.914 1.00 0.00 C ATOM 1018 O PRO A 62 5.556 -6.085 -18.271 1.00 0.00 O ATOM 1019 CB PRO A 62 8.275 -6.567 -16.558 1.00 0.00 C ATOM 1020 CG PRO A 62 9.013 -7.378 -15.551 1.00 0.00 C ATOM 1021 CD PRO A 62 8.390 -8.747 -15.588 1.00 0.00 C ATOM 0 HA PRO A 62 6.172 -6.530 -15.888 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.713 -6.674 -17.550 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.304 -5.506 -16.309 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.075 -7.426 -15.790 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.930 -6.938 -14.557 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.914 -9.409 -16.277 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.411 -9.225 -14.609 1.00 0.00 H new ATOM 1029 N VAL A 63 6.452 -8.106 -18.697 1.00 0.00 N ATOM 1030 CA VAL A 63 5.918 -8.185 -20.055 1.00 0.00 C ATOM 1031 C VAL A 63 4.442 -7.798 -20.095 1.00 0.00 C ATOM 1032 O VAL A 63 4.057 -6.851 -20.780 1.00 0.00 O ATOM 1033 CB VAL A 63 6.080 -9.601 -20.639 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.694 -9.621 -22.111 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.505 -10.099 -20.447 1.00 0.00 C ATOM 0 H VAL A 63 7.003 -8.917 -18.414 1.00 0.00 H new ATOM 0 HA VAL A 63 6.490 -7.480 -20.659 1.00 0.00 H new ATOM 0 HB VAL A 63 5.410 -10.273 -20.103 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.815 -10.630 -22.505 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.654 -9.312 -22.219 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.336 -8.936 -22.665 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.600 -11.101 -20.866 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.197 -9.427 -20.954 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.740 -10.127 -19.383 1.00 0.00 H new ATOM 1045 N VAL A 64 3.622 -8.534 -19.353 1.00 0.00 N ATOM 1046 CA VAL A 64 2.190 -8.263 -19.301 1.00 0.00 C ATOM 1047 C VAL A 64 1.910 -6.948 -18.582 1.00 0.00 C ATOM 1048 O VAL A 64 0.982 -6.220 -18.935 1.00 0.00 O ATOM 1049 CB VAL A 64 1.431 -9.398 -18.589 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.497 -10.680 -19.403 1.00 0.00 C ATOM 1051 CG2 VAL A 64 1.985 -9.617 -17.189 1.00 0.00 C ATOM 0 H VAL A 64 3.924 -9.322 -18.780 1.00 0.00 H new ATOM 0 HA VAL A 64 1.840 -8.194 -20.331 1.00 0.00 H new ATOM 0 HB VAL A 64 0.384 -9.107 -18.499 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.955 -11.470 -18.883 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.046 -10.514 -20.381 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.538 -10.977 -19.530 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.436 -10.423 -16.702 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.040 -9.884 -17.253 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.877 -8.701 -16.608 1.00 0.00 H new ATOM 1061 N ILE A 65 2.723 -6.648 -17.573 1.00 0.00 N ATOM 1062 CA ILE A 65 2.570 -5.420 -16.802 1.00 0.00 C ATOM 1063 C ILE A 65 2.694 -4.192 -17.701 1.00 0.00 C ATOM 1064 O ILE A 65 1.871 -3.278 -17.637 1.00 0.00 O ATOM 1065 CB ILE A 65 3.619 -5.343 -15.670 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.321 -6.398 -14.603 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.655 -3.952 -15.048 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.556 -6.905 -13.890 1.00 0.00 C ATOM 0 H ILE A 65 3.496 -7.241 -17.270 1.00 0.00 H new ATOM 0 HA ILE A 65 1.574 -5.434 -16.359 1.00 0.00 H new ATOM 0 HB ILE A 65 4.600 -5.543 -16.101 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.635 -5.976 -13.868 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.810 -7.240 -15.070 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.402 -3.927 -14.255 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.913 -3.218 -15.812 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.676 -3.714 -14.632 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.268 -7.650 -13.148 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.234 -7.357 -14.614 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.057 -6.074 -13.394 1.00 0.00 H new ATOM 1080 N LYS A 66 3.729 -4.174 -18.536 1.00 0.00 N ATOM 1081 CA LYS A 66 3.961 -3.056 -19.446 1.00 0.00 C ATOM 1082 C LYS A 66 2.729 -2.781 -20.303 1.00 0.00 C ATOM 1083 O LYS A 66 2.316 -1.633 -20.466 1.00 0.00 O ATOM 1084 CB LYS A 66 5.169 -3.344 -20.341 1.00 0.00 C ATOM 1085 CG LYS A 66 6.368 -2.458 -20.045 1.00 0.00 C ATOM 1086 CD LYS A 66 7.184 -2.188 -21.299 1.00 0.00 C ATOM 1087 CE LYS A 66 7.807 -3.463 -21.843 1.00 0.00 C ATOM 1088 NZ LYS A 66 9.166 -3.222 -22.401 1.00 0.00 N ATOM 0 H LYS A 66 4.421 -4.921 -18.602 1.00 0.00 H new ATOM 0 HA LYS A 66 4.164 -2.169 -18.846 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.460 -4.388 -20.220 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.879 -3.212 -21.383 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.028 -1.513 -19.621 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.999 -2.936 -19.295 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.546 -1.740 -22.060 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.969 -1.465 -21.075 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.868 -4.206 -21.047 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.164 -3.879 -22.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.557 -4.116 -22.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.105 -2.532 -23.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.787 -2.849 -21.654 1.00 0.00 H new ATOM 1102 N LYS A 67 2.146 -3.843 -20.849 1.00 0.00 N ATOM 1103 CA LYS A 67 0.961 -3.718 -21.689 1.00 0.00 C ATOM 1104 C LYS A 67 -0.206 -3.128 -20.903 1.00 0.00 C ATOM 1105 O LYS A 67 -0.942 -2.280 -21.407 1.00 0.00 O ATOM 1106 CB LYS A 67 0.571 -5.082 -22.262 1.00 0.00 C ATOM 1107 CG LYS A 67 0.146 -5.031 -23.720 1.00 0.00 C ATOM 1108 CD LYS A 67 0.819 -6.123 -24.538 1.00 0.00 C ATOM 1109 CE LYS A 67 2.180 -5.677 -25.049 1.00 0.00 C ATOM 1110 NZ LYS A 67 3.290 -6.230 -24.225 1.00 0.00 N ATOM 0 H LYS A 67 2.475 -4.800 -20.725 1.00 0.00 H new ATOM 0 HA LYS A 67 1.198 -3.042 -22.510 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.416 -5.764 -22.162 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.244 -5.496 -21.669 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.936 -5.139 -23.788 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.396 -4.056 -24.138 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.934 -7.018 -23.927 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.183 -6.392 -25.381 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.302 -5.997 -26.084 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.231 -4.588 -25.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.199 -6.032 -24.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.278 -5.787 -23.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.169 -7.258 -24.125 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.369 -3.585 -19.665 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.448 -3.103 -18.809 1.00 0.00 C ATOM 1126 C ARG A 68 -1.312 -1.606 -18.546 1.00 0.00 C ATOM 1127 O ARG A 68 -2.303 -0.876 -18.537 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.454 -3.868 -17.485 1.00 0.00 C ATOM 1129 CG ARG A 68 -1.380 -5.378 -17.656 1.00 0.00 C ATOM 1130 CD ARG A 68 -2.695 -6.048 -17.294 1.00 0.00 C ATOM 1131 NE ARG A 68 -2.997 -7.172 -18.178 1.00 0.00 N ATOM 1132 CZ ARG A 68 -3.406 -7.037 -19.437 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -3.563 -5.829 -19.965 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -3.658 -8.112 -20.171 1.00 0.00 N ATOM 0 H ARG A 68 0.231 -4.287 -19.233 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.392 -3.275 -19.326 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.610 -3.537 -16.880 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.360 -3.617 -16.933 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.122 -5.615 -18.688 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.583 -5.777 -17.029 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.652 -6.399 -16.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.502 -5.317 -17.348 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.888 -8.116 -17.808 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.370 -4.999 -19.405 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.877 -5.731 -20.931 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.538 -9.042 -19.771 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.972 -8.009 -21.136 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.080 -1.155 -18.330 1.00 0.00 N ATOM 1149 CA ILE A 69 0.180 0.256 -18.066 1.00 0.00 C ATOM 1150 C ILE A 69 -0.279 1.125 -19.233 1.00 0.00 C ATOM 1151 O ILE A 69 -1.041 2.074 -19.049 1.00 0.00 O ATOM 1152 CB ILE A 69 1.678 0.513 -17.802 1.00 0.00 C ATOM 1153 CG1 ILE A 69 2.178 -0.379 -16.664 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.918 1.981 -17.473 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.641 -0.748 -16.783 1.00 0.00 C ATOM 0 H ILE A 69 0.752 -1.745 -18.333 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.387 0.522 -17.174 1.00 0.00 H new ATOM 0 HB ILE A 69 2.236 0.268 -18.706 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.017 0.132 -15.715 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.582 -1.292 -16.640 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.980 2.144 -17.290 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.595 2.599 -18.311 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.350 2.252 -16.583 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.926 -1.381 -15.943 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.805 -1.287 -17.716 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.247 0.158 -16.776 1.00 0.00 H new ATOM 1167 N GLU A 70 0.189 0.795 -20.432 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.172 1.546 -21.628 1.00 0.00 C ATOM 1169 C GLU A 70 -1.687 1.577 -21.817 1.00 0.00 C ATOM 1170 O GLU A 70 -2.233 2.528 -22.377 1.00 0.00 O ATOM 1171 CB GLU A 70 0.498 0.930 -22.857 1.00 0.00 C ATOM 1172 CG GLU A 70 0.114 1.601 -24.165 1.00 0.00 C ATOM 1173 CD GLU A 70 1.296 2.250 -24.858 1.00 0.00 C ATOM 1174 OE1 GLU A 70 2.429 1.748 -24.698 1.00 0.00 O ATOM 1175 OE2 GLU A 70 1.090 3.262 -25.562 1.00 0.00 O ATOM 0 H GLU A 70 0.820 0.011 -20.601 1.00 0.00 H new ATOM 0 HA GLU A 70 0.178 2.571 -21.506 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.580 0.985 -22.735 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.236 -0.127 -22.911 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.331 0.862 -24.831 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.648 2.356 -23.971 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.361 0.533 -21.345 1.00 0.00 N ATOM 1183 CA GLY A 71 -3.804 0.464 -21.472 1.00 0.00 C ATOM 1184 C GLY A 71 -4.520 1.230 -20.377 1.00 0.00 C ATOM 1185 O GLY A 71 -5.632 1.718 -20.578 1.00 0.00 O ATOM 0 H GLY A 71 -1.933 -0.266 -20.877 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.100 0.862 -22.443 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.118 -0.579 -21.446 1.00 0.00 H new ATOM 1189 N LEU A 72 -3.881 1.335 -19.216 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.464 2.047 -18.085 1.00 0.00 C ATOM 1191 C LEU A 72 -4.495 3.549 -18.343 1.00 0.00 C ATOM 1192 O LEU A 72 -5.489 4.219 -18.058 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.674 1.750 -16.808 1.00 0.00 C ATOM 1194 CG LEU A 72 -3.811 0.322 -16.279 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -2.547 -0.100 -15.547 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.022 0.208 -15.366 1.00 0.00 C ATOM 0 H LEU A 72 -2.960 0.936 -19.034 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.490 1.700 -17.958 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.620 1.952 -16.996 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.997 2.442 -16.030 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.955 -0.348 -17.127 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.663 -1.119 -15.178 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.699 -0.056 -16.230 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.371 0.572 -14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.105 -0.815 -14.998 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.907 0.889 -14.523 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.923 0.468 -15.922 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.402 4.076 -18.887 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.313 5.501 -19.184 1.00 0.00 C ATOM 1210 C ILE A 73 -4.390 5.915 -20.180 1.00 0.00 C ATOM 1211 O ILE A 73 -4.962 7.000 -20.078 1.00 0.00 O ATOM 1212 CB ILE A 73 -1.928 5.874 -19.751 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -0.817 5.352 -18.837 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -1.813 7.382 -19.925 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.576 5.702 -19.316 1.00 0.00 C ATOM 0 H ILE A 73 -2.569 3.540 -19.130 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.463 6.034 -18.245 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.817 5.405 -20.729 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.961 5.758 -17.836 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.903 4.268 -18.757 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.830 7.628 -20.326 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.583 7.728 -20.614 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.944 7.871 -18.960 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.312 5.300 -18.620 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.739 5.273 -20.304 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.681 6.786 -19.369 1.00 0.00 H new ATOM 1227 N GLU A 74 -4.663 5.041 -21.143 1.00 0.00 N ATOM 1228 CA GLU A 74 -5.673 5.310 -22.158 1.00 0.00 C ATOM 1229 C GLU A 74 -7.081 5.167 -21.584 1.00 0.00 C ATOM 1230 O GLU A 74 -8.043 5.697 -22.141 1.00 0.00 O ATOM 1231 CB GLU A 74 -5.496 4.364 -23.346 1.00 0.00 C ATOM 1232 CG GLU A 74 -6.414 4.678 -24.518 1.00 0.00 C ATOM 1233 CD GLU A 74 -5.898 4.118 -25.828 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -5.095 3.162 -25.791 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -6.298 4.635 -26.893 1.00 0.00 O ATOM 0 H GLU A 74 -4.197 4.139 -21.241 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.544 6.338 -22.497 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.461 4.409 -23.684 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.679 3.342 -23.016 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.405 4.270 -24.318 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.526 5.759 -24.608 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.198 4.447 -20.471 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.491 4.237 -19.829 1.00 0.00 C ATOM 1244 C ARG A 75 -8.752 5.286 -18.749 1.00 0.00 C ATOM 1245 O ARG A 75 -9.607 5.097 -17.883 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.559 2.836 -19.219 1.00 0.00 C ATOM 1247 CG ARG A 75 -8.848 1.744 -20.236 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.347 0.392 -19.758 1.00 0.00 C ATOM 1249 NE ARG A 75 -8.713 -0.684 -20.677 1.00 0.00 N ATOM 1250 CZ ARG A 75 -8.352 -1.954 -20.513 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -7.618 -2.313 -19.467 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -8.727 -2.870 -21.397 1.00 0.00 N ATOM 0 H ARG A 75 -6.414 4.000 -19.996 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.262 4.335 -20.593 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.613 2.618 -18.723 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.333 2.820 -18.451 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.921 1.691 -20.420 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.374 1.994 -21.185 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.263 0.424 -19.651 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.758 0.181 -18.771 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.279 -0.447 -21.492 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.328 -1.614 -18.784 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.344 -3.288 -19.347 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.292 -2.600 -22.202 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.450 -3.844 -21.271 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.015 6.393 -18.804 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.175 7.468 -17.831 1.00 0.00 C ATOM 1268 C GLU A 76 -7.893 6.974 -16.414 1.00 0.00 C ATOM 1269 O GLU A 76 -8.413 7.523 -15.442 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.588 8.049 -17.914 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.664 9.347 -18.702 1.00 0.00 C ATOM 1272 CD GLU A 76 -10.741 9.319 -19.771 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -11.035 8.221 -20.288 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -11.288 10.395 -20.090 1.00 0.00 O ATOM 0 H GLU A 76 -7.302 6.568 -19.512 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.453 8.249 -18.068 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.248 7.314 -18.375 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.961 8.223 -16.905 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.858 10.172 -18.017 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.699 9.541 -19.169 1.00 0.00 H new ATOM 1281 N TYR A 77 -7.062 5.943 -16.300 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.711 5.387 -14.998 1.00 0.00 C ATOM 1283 C TYR A 77 -5.415 6.004 -14.483 1.00 0.00 C ATOM 1284 O TYR A 77 -5.344 6.462 -13.343 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.569 3.867 -15.085 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.858 3.122 -14.819 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.465 3.173 -13.571 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -8.466 2.369 -15.816 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -9.644 2.494 -13.323 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.644 1.687 -15.575 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.229 1.753 -14.328 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.401 1.076 -14.086 1.00 0.00 O ATOM 0 H TYR A 77 -6.620 5.476 -17.092 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.513 5.625 -14.299 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.203 3.601 -16.077 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.815 3.539 -14.369 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.009 3.752 -12.782 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.011 2.316 -16.794 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.104 2.544 -12.347 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.104 1.105 -16.360 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.680 0.605 -14.899 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.394 6.016 -15.334 1.00 0.00 N ATOM 1303 CA LEU A 78 -3.101 6.581 -14.970 1.00 0.00 C ATOM 1304 C LEU A 78 -2.726 7.726 -15.905 1.00 0.00 C ATOM 1305 O LEU A 78 -3.305 7.874 -16.982 1.00 0.00 O ATOM 1306 CB LEU A 78 -2.018 5.500 -15.006 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.360 4.210 -14.258 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.154 3.285 -14.208 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.853 4.522 -12.853 1.00 0.00 C ATOM 0 H LEU A 78 -4.438 5.640 -16.281 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.177 6.974 -13.956 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.808 5.253 -16.047 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.101 5.913 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.159 3.702 -14.798 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.417 2.373 -13.672 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.846 3.034 -15.223 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.333 3.785 -13.693 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.091 3.592 -12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.075 5.053 -12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.746 5.144 -12.911 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.757 8.534 -15.490 1.00 0.00 N ATOM 1322 CA ALA A 79 -1.308 9.665 -16.293 1.00 0.00 C ATOM 1323 C ALA A 79 0.211 9.794 -16.264 1.00 0.00 C ATOM 1324 O ALA A 79 0.862 9.355 -15.316 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.958 10.950 -15.800 1.00 0.00 C ATOM 0 H ALA A 79 -1.267 8.427 -14.602 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.610 9.488 -17.325 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.615 11.788 -16.407 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.042 10.864 -15.880 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.684 11.120 -14.759 1.00 0.00 H new ATOM 1331 N ARG A 80 0.768 10.397 -17.308 1.00 0.00 N ATOM 1332 CA ARG A 80 2.211 10.584 -17.403 1.00 0.00 C ATOM 1333 C ARG A 80 2.620 11.950 -16.861 1.00 0.00 C ATOM 1334 O ARG A 80 1.803 12.867 -16.783 1.00 0.00 O ATOM 1335 CB ARG A 80 2.670 10.435 -18.856 1.00 0.00 C ATOM 1336 CG ARG A 80 3.578 9.238 -19.088 1.00 0.00 C ATOM 1337 CD ARG A 80 4.505 9.461 -20.272 1.00 0.00 C ATOM 1338 NE ARG A 80 4.043 8.764 -21.470 1.00 0.00 N ATOM 1339 CZ ARG A 80 3.124 9.244 -22.304 1.00 0.00 C ATOM 1340 NH1 ARG A 80 2.563 10.426 -22.076 1.00 0.00 N ATOM 1341 NH2 ARG A 80 2.763 8.543 -23.369 1.00 0.00 N ATOM 0 H ARG A 80 0.242 10.765 -18.101 1.00 0.00 H new ATOM 0 HA ARG A 80 2.694 9.817 -16.798 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.793 10.345 -19.498 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.194 11.342 -19.157 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.170 9.050 -18.192 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.972 8.349 -19.262 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.577 10.529 -20.479 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.507 9.117 -20.017 1.00 0.00 H new ATOM 0 HE ARG A 80 4.450 7.853 -21.680 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.836 10.971 -21.258 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.859 10.789 -22.719 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.190 7.634 -23.550 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.058 8.912 -24.008 1.00 0.00 H new ATOM 1355 N THR A 81 3.889 12.078 -16.487 1.00 0.00 N ATOM 1356 CA THR A 81 4.405 13.333 -15.953 1.00 0.00 C ATOM 1357 C THR A 81 5.013 14.189 -17.065 1.00 0.00 C ATOM 1358 O THR A 81 5.871 13.724 -17.813 1.00 0.00 O ATOM 1359 CB THR A 81 5.455 13.058 -14.876 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.581 12.399 -15.430 1.00 0.00 O ATOM 1361 CG2 THR A 81 4.937 12.206 -13.739 1.00 0.00 C ATOM 0 H THR A 81 4.578 11.328 -16.544 1.00 0.00 H new ATOM 0 HA THR A 81 3.573 13.881 -15.510 1.00 0.00 H new ATOM 0 HB THR A 81 5.726 14.037 -14.480 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.594 12.533 -16.401 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.732 12.049 -13.010 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.099 12.711 -13.259 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.606 11.243 -14.128 1.00 0.00 H new ATOM 1369 N PRO A 82 4.576 15.457 -17.189 1.00 0.00 N ATOM 1370 CA PRO A 82 5.089 16.367 -18.220 1.00 0.00 C ATOM 1371 C PRO A 82 6.608 16.482 -18.185 1.00 0.00 C ATOM 1372 O PRO A 82 7.246 16.723 -19.210 1.00 0.00 O ATOM 1373 CB PRO A 82 4.445 17.711 -17.866 1.00 0.00 C ATOM 1374 CG PRO A 82 3.219 17.356 -17.100 1.00 0.00 C ATOM 1375 CD PRO A 82 3.555 16.101 -16.343 1.00 0.00 C ATOM 0 HA PRO A 82 4.851 16.017 -19.225 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.118 18.328 -17.271 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.200 18.281 -18.763 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.938 18.159 -16.419 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.374 17.194 -17.769 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.939 16.323 -15.347 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.680 15.464 -16.213 1.00 0.00 H new ATOM 1383 N GLU A 83 7.184 16.308 -17.000 1.00 0.00 N ATOM 1384 CA GLU A 83 8.629 16.394 -16.831 1.00 0.00 C ATOM 1385 C GLU A 83 9.338 15.309 -17.635 1.00 0.00 C ATOM 1386 O GLU A 83 10.057 15.602 -18.591 1.00 0.00 O ATOM 1387 CB GLU A 83 9.000 16.272 -15.351 1.00 0.00 C ATOM 1388 CG GLU A 83 10.382 16.813 -15.025 1.00 0.00 C ATOM 1389 CD GLU A 83 11.470 15.770 -15.189 1.00 0.00 C ATOM 1390 OE1 GLU A 83 11.216 14.592 -14.864 1.00 0.00 O ATOM 1391 OE2 GLU A 83 12.575 16.133 -15.645 1.00 0.00 O ATOM 0 H GLU A 83 6.671 16.106 -16.142 1.00 0.00 H new ATOM 0 HA GLU A 83 8.954 17.366 -17.201 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.260 16.805 -14.754 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.951 15.223 -15.058 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.598 17.663 -15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.391 17.184 -14.000 1.00 0.00 H new ATOM 1398 N ASP A 84 9.133 14.056 -17.242 1.00 0.00 N ATOM 1399 CA ASP A 84 9.754 12.929 -17.927 1.00 0.00 C ATOM 1400 C ASP A 84 8.701 11.938 -18.415 1.00 0.00 C ATOM 1401 O ASP A 84 7.575 11.919 -17.917 1.00 0.00 O ATOM 1402 CB ASP A 84 10.746 12.225 -16.997 1.00 0.00 C ATOM 1403 CG ASP A 84 12.186 12.431 -17.426 1.00 0.00 C ATOM 1404 OD1 ASP A 84 12.451 13.400 -18.168 1.00 0.00 O ATOM 1405 OD2 ASP A 84 13.049 11.625 -17.017 1.00 0.00 O ATOM 0 H ASP A 84 8.542 13.796 -16.453 1.00 0.00 H new ATOM 0 HA ASP A 84 10.290 13.314 -18.795 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.615 12.598 -15.981 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.525 11.158 -16.975 1.00 0.00 H new ATOM 1410 N ARG A 85 9.075 11.118 -19.390 1.00 0.00 N ATOM 1411 CA ARG A 85 8.164 10.123 -19.946 1.00 0.00 C ATOM 1412 C ARG A 85 8.411 8.751 -19.327 1.00 0.00 C ATOM 1413 O ARG A 85 8.181 7.722 -19.962 1.00 0.00 O ATOM 1414 CB ARG A 85 8.326 10.049 -21.465 1.00 0.00 C ATOM 1415 CG ARG A 85 8.053 11.369 -22.170 1.00 0.00 C ATOM 1416 CD ARG A 85 9.082 11.652 -23.254 1.00 0.00 C ATOM 1417 NE ARG A 85 9.627 13.004 -23.152 1.00 0.00 N ATOM 1418 CZ ARG A 85 10.271 13.620 -24.141 1.00 0.00 C ATOM 1419 NH1 ARG A 85 10.452 13.012 -25.306 1.00 0.00 N ATOM 1420 NH2 ARG A 85 10.735 14.851 -23.964 1.00 0.00 N ATOM 0 H ARG A 85 10.003 11.122 -19.813 1.00 0.00 H new ATOM 0 HA ARG A 85 7.144 10.427 -19.710 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.340 9.724 -21.699 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.650 9.290 -21.858 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.057 11.346 -22.611 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.060 12.179 -21.441 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.893 10.928 -23.182 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.623 11.519 -24.233 1.00 0.00 H new ATOM 0 HE ARG A 85 9.507 13.505 -22.272 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.097 12.067 -25.448 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.946 13.490 -26.059 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.598 15.324 -23.071 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.229 15.324 -24.721 1.00 0.00 H new ATOM 1434 N LYS A 86 8.877 8.744 -18.081 1.00 0.00 N ATOM 1435 CA LYS A 86 9.153 7.498 -17.375 1.00 0.00 C ATOM 1436 C LYS A 86 8.509 7.504 -15.991 1.00 0.00 C ATOM 1437 O LYS A 86 9.002 6.862 -15.063 1.00 0.00 O ATOM 1438 CB LYS A 86 10.663 7.283 -17.251 1.00 0.00 C ATOM 1439 CG LYS A 86 11.134 5.946 -17.802 1.00 0.00 C ATOM 1440 CD LYS A 86 11.651 5.035 -16.700 1.00 0.00 C ATOM 1441 CE LYS A 86 13.164 5.116 -16.575 1.00 0.00 C ATOM 1442 NZ LYS A 86 13.744 3.857 -16.031 1.00 0.00 N ATOM 0 H LYS A 86 9.071 9.587 -17.540 1.00 0.00 H new ATOM 0 HA LYS A 86 8.724 6.678 -17.950 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.180 8.086 -17.776 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.947 7.354 -16.201 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.311 5.457 -18.323 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.922 6.112 -18.537 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.191 5.312 -15.751 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.357 4.006 -16.909 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.599 5.323 -17.553 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.431 5.949 -15.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.777 3.953 -15.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.349 3.672 -15.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.512 3.066 -16.665 1.00 0.00 H new ATOM 1456 N VAL A 87 7.405 8.233 -15.859 1.00 0.00 N ATOM 1457 CA VAL A 87 6.694 8.321 -14.590 1.00 0.00 C ATOM 1458 C VAL A 87 5.186 8.339 -14.807 1.00 0.00 C ATOM 1459 O VAL A 87 4.693 8.956 -15.752 1.00 0.00 O ATOM 1460 CB VAL A 87 7.103 9.581 -13.803 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.510 9.553 -12.404 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.617 9.707 -13.747 1.00 0.00 C ATOM 0 H VAL A 87 6.984 8.771 -16.616 1.00 0.00 H new ATOM 0 HA VAL A 87 6.966 7.437 -14.013 1.00 0.00 H new ATOM 0 HB VAL A 87 6.708 10.455 -14.321 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.810 10.451 -11.864 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.423 9.516 -12.470 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.872 8.672 -11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.887 10.603 -13.187 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.037 8.830 -13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.014 9.779 -14.760 1.00 0.00 H new ATOM 1472 N TYR A 88 4.458 7.660 -13.927 1.00 0.00 N ATOM 1473 CA TYR A 88 3.003 7.598 -14.025 1.00 0.00 C ATOM 1474 C TYR A 88 2.346 8.191 -12.785 1.00 0.00 C ATOM 1475 O TYR A 88 2.994 8.379 -11.755 1.00 0.00 O ATOM 1476 CB TYR A 88 2.547 6.150 -14.217 1.00 0.00 C ATOM 1477 CG TYR A 88 3.135 5.487 -15.442 1.00 0.00 C ATOM 1478 CD1 TYR A 88 2.885 5.988 -16.714 1.00 0.00 C ATOM 1479 CD2 TYR A 88 3.941 4.362 -15.326 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.421 5.384 -17.836 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.481 3.753 -16.444 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.218 4.268 -17.696 1.00 0.00 C ATOM 1483 OH TYR A 88 4.754 3.665 -18.810 1.00 0.00 O ATOM 0 H TYR A 88 4.850 7.145 -13.139 1.00 0.00 H new ATOM 0 HA TYR A 88 2.697 8.187 -14.890 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.821 5.572 -13.335 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.460 6.127 -14.288 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.262 6.863 -16.828 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.149 3.956 -14.347 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.216 5.785 -18.818 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.106 2.878 -16.337 1.00 0.00 H new ATOM 0 HH TYR A 88 4.899 4.337 -19.508 1.00 0.00 H new ATOM 1493 N THR A 89 1.054 8.483 -12.890 1.00 0.00 N ATOM 1494 CA THR A 89 0.304 9.055 -11.778 1.00 0.00 C ATOM 1495 C THR A 89 -1.132 8.542 -11.774 1.00 0.00 C ATOM 1496 O THR A 89 -1.644 8.093 -12.799 1.00 0.00 O ATOM 1497 CB THR A 89 0.312 10.583 -11.860 1.00 0.00 C ATOM 1498 OG1 THR A 89 -0.322 11.024 -13.048 1.00 0.00 O ATOM 1499 CG2 THR A 89 1.704 11.177 -11.835 1.00 0.00 C ATOM 0 H THR A 89 0.504 8.333 -13.736 1.00 0.00 H new ATOM 0 HA THR A 89 0.786 8.747 -10.850 1.00 0.00 H new ATOM 0 HB THR A 89 -0.226 10.923 -10.975 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.123 10.624 -13.824 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.637 12.263 -11.896 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.203 10.896 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.276 10.800 -12.683 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.777 8.610 -10.613 1.00 0.00 N ATOM 1508 CA TYR A 90 -3.155 8.151 -10.479 1.00 0.00 C ATOM 1509 C TYR A 90 -4.129 9.321 -10.562 1.00 0.00 C ATOM 1510 O TYR A 90 -4.029 10.282 -9.798 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.340 7.410 -9.153 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.559 6.515 -9.125 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.823 5.637 -10.168 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.444 6.548 -8.056 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.934 4.817 -10.148 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.558 5.731 -8.026 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.799 4.868 -9.074 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.907 4.053 -9.049 1.00 0.00 O ATOM 0 H TYR A 90 -1.368 8.978 -9.754 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.366 7.468 -11.302 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.453 6.808 -8.956 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.416 8.139 -8.346 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.148 5.595 -11.010 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.259 7.224 -7.234 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.125 4.140 -10.968 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.236 5.768 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.065 3.689 -9.945 1.00 0.00 H new ATOM 1528 N VAL A 91 -5.074 9.232 -11.492 1.00 0.00 N ATOM 1529 CA VAL A 91 -6.070 10.283 -11.674 1.00 0.00 C ATOM 1530 C VAL A 91 -7.488 9.761 -11.449 1.00 0.00 C ATOM 1531 O VAL A 91 -8.452 10.525 -11.498 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.984 10.900 -13.082 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -4.795 11.846 -13.180 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -5.894 9.808 -14.132 1.00 0.00 C ATOM 0 H VAL A 91 -5.172 8.443 -12.131 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.850 11.049 -10.930 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.891 11.477 -13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.751 12.272 -14.182 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.906 12.647 -12.450 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.875 11.297 -12.978 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.834 10.259 -15.122 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.004 9.204 -13.954 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.779 9.175 -14.075 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.612 8.460 -11.202 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.916 7.848 -10.971 1.00 0.00 C ATOM 1546 C ALA A 92 -9.251 7.819 -9.484 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.950 6.443 -11.551 1.00 0.00 C ATOM 0 H ALA A 92 -6.827 7.811 -11.157 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.670 8.453 -11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.929 5.999 -11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.763 6.488 -12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.182 5.834 -11.074 1.00 0.00 H new TER 1553 ALA A 92