USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 562 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= 0.0401 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0935 K(o=-0.094,f=-0.82) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 0.75 (180deg=0.643) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.51) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 34 MET CE :methyl 175:sc= 0 (180deg=-0.0447) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.27) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 78:sc= 0.554 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 130:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.312 5.301 3.380 1.00 0.00 N ATOM 41 CA ALA A 3 10.596 4.188 3.959 1.00 0.00 C ATOM 42 C ALA A 3 10.963 3.986 5.421 1.00 0.00 C ATOM 43 O ALA A 3 10.643 2.929 5.940 1.00 0.00 O ATOM 44 CB ALA A 3 10.857 2.889 3.191 1.00 0.00 C ATOM 0 HA ALA A 3 9.536 4.434 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.302 2.074 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.532 3.006 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.923 2.661 3.213 1.00 0.00 H new ATOM 50 N SER A 4 11.793 4.835 6.038 1.00 0.00 N ATOM 51 CA SER A 4 12.294 4.641 7.401 1.00 0.00 C ATOM 52 C SER A 4 11.184 4.246 8.395 1.00 0.00 C ATOM 53 O SER A 4 11.459 3.563 9.378 1.00 0.00 O ATOM 54 CB SER A 4 13.005 5.939 7.840 1.00 0.00 C ATOM 55 OG SER A 4 14.149 5.715 8.638 1.00 0.00 O ATOM 0 H SER A 4 12.139 5.687 5.597 1.00 0.00 H new ATOM 0 HA SER A 4 12.995 3.806 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.296 6.502 6.953 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.301 6.559 8.395 1.00 0.00 H new ATOM 0 HG SER A 4 14.552 6.575 8.880 1.00 0.00 H new ATOM 61 N GLU A 5 9.942 4.624 8.086 1.00 0.00 N ATOM 62 CA GLU A 5 8.695 4.235 8.753 1.00 0.00 C ATOM 63 C GLU A 5 8.151 2.858 8.313 1.00 0.00 C ATOM 64 O GLU A 5 7.733 2.044 9.124 1.00 0.00 O ATOM 65 CB GLU A 5 7.674 5.357 8.504 1.00 0.00 C ATOM 66 CG GLU A 5 7.365 5.544 7.011 1.00 0.00 C ATOM 67 CD GLU A 5 6.519 6.770 6.708 1.00 0.00 C ATOM 68 OE1 GLU A 5 6.971 7.896 7.003 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.461 6.616 6.048 1.00 0.00 O ATOM 0 H GLU A 5 9.767 5.257 7.305 1.00 0.00 H new ATOM 0 HA GLU A 5 8.891 4.113 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.751 5.130 9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.058 6.292 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.304 5.617 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.848 4.658 6.643 1.00 0.00 H new ATOM 76 N LEU A 6 8.139 2.584 7.012 1.00 0.00 N ATOM 77 CA LEU A 6 7.514 1.429 6.381 1.00 0.00 C ATOM 78 C LEU A 6 8.393 0.210 6.482 1.00 0.00 C ATOM 79 O LEU A 6 7.875 -0.873 6.674 1.00 0.00 O ATOM 80 CB LEU A 6 7.298 1.718 4.884 1.00 0.00 C ATOM 81 CG LEU A 6 6.122 2.639 4.516 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.891 2.498 3.007 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.829 2.369 5.290 1.00 0.00 C ATOM 0 H LEU A 6 8.591 3.197 6.333 1.00 0.00 H new ATOM 0 HA LEU A 6 6.569 1.244 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.212 2.161 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.157 0.766 4.372 1.00 0.00 H new ATOM 0 HG LEU A 6 6.393 3.657 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.062 3.138 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.793 2.795 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.654 1.461 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.057 3.066 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.499 1.347 5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.009 2.501 6.357 1.00 0.00 H new ATOM 95 N ARG A 7 9.716 0.340 6.370 1.00 0.00 N ATOM 96 CA ARG A 7 10.617 -0.790 6.574 1.00 0.00 C ATOM 97 C ARG A 7 10.584 -1.257 8.032 1.00 0.00 C ATOM 98 O ARG A 7 11.165 -2.278 8.386 1.00 0.00 O ATOM 99 CB ARG A 7 12.018 -0.323 6.156 1.00 0.00 C ATOM 100 CG ARG A 7 13.009 -1.464 5.929 1.00 0.00 C ATOM 101 CD ARG A 7 14.056 -1.645 7.030 1.00 0.00 C ATOM 102 NE ARG A 7 14.929 -2.788 6.711 1.00 0.00 N ATOM 103 CZ ARG A 7 15.937 -2.822 5.836 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.371 -1.682 5.306 1.00 0.00 N ATOM 105 NH2 ARG A 7 16.490 -3.977 5.489 1.00 0.00 N ATOM 0 H ARG A 7 10.185 1.216 6.139 1.00 0.00 H new ATOM 0 HA ARG A 7 10.313 -1.648 5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.937 0.262 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.413 0.341 6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.450 -2.394 5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.524 -1.294 4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.652 -0.738 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.563 -1.809 7.988 1.00 0.00 H new ATOM 0 HE ARG A 7 14.742 -3.654 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.935 -0.798 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.140 -1.691 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.146 -4.849 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.260 -3.993 4.820 1.00 0.00 H new ATOM 119 N ASN A 8 9.972 -0.452 8.894 1.00 0.00 N ATOM 120 CA ASN A 8 10.116 -0.491 10.333 1.00 0.00 C ATOM 121 C ASN A 8 9.120 -1.428 11.014 1.00 0.00 C ATOM 122 O ASN A 8 9.110 -1.467 12.246 1.00 0.00 O ATOM 123 CB ASN A 8 9.926 0.932 10.872 1.00 0.00 C ATOM 124 CG ASN A 8 10.825 1.222 12.053 1.00 0.00 C ATOM 125 OD1 ASN A 8 12.035 1.400 11.908 1.00 0.00 O ATOM 126 ND2 ASN A 8 10.262 1.333 13.238 1.00 0.00 N ATOM 0 H ASN A 8 9.332 0.280 8.586 1.00 0.00 H new ATOM 0 HA ASN A 8 11.110 -0.879 10.557 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.130 1.650 10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.886 1.071 11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.829 1.569 14.052 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.259 1.183 13.342 1.00 0.00 H new ATOM 133 N TYR A 9 8.241 -2.120 10.274 1.00 0.00 N ATOM 134 CA TYR A 9 7.283 -3.049 10.836 1.00 0.00 C ATOM 135 C TYR A 9 7.974 -4.390 11.226 1.00 0.00 C ATOM 136 O TYR A 9 9.198 -4.488 11.073 1.00 0.00 O ATOM 137 CB TYR A 9 5.981 -2.951 10.028 1.00 0.00 C ATOM 138 CG TYR A 9 5.075 -1.812 10.476 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.113 -1.992 11.487 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.197 -0.549 9.860 1.00 0.00 C ATOM 141 CE1 TYR A 9 3.230 -0.951 11.821 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.328 0.501 10.199 1.00 0.00 C ATOM 143 CZ TYR A 9 3.313 0.294 11.159 1.00 0.00 C ATOM 144 OH TYR A 9 2.429 1.289 11.444 1.00 0.00 O ATOM 0 H TYR A 9 8.185 -2.041 9.259 1.00 0.00 H new ATOM 0 HA TYR A 9 6.898 -2.817 11.829 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.225 -2.818 8.974 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.438 -3.892 10.113 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.053 -2.935 12.009 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.967 -0.388 9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.485 -1.104 12.587 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.436 1.466 9.726 1.00 0.00 H new ATOM 0 HH TYR A 9 2.634 2.076 10.897 1.00 0.00 H new ATOM 154 N THR A 10 7.290 -5.402 11.776 1.00 0.00 N ATOM 155 CA THR A 10 7.816 -6.781 11.865 1.00 0.00 C ATOM 156 C THR A 10 7.464 -7.489 10.556 1.00 0.00 C ATOM 157 O THR A 10 6.406 -7.181 10.035 1.00 0.00 O ATOM 158 CB THR A 10 7.147 -7.522 13.041 1.00 0.00 C ATOM 159 OG1 THR A 10 5.738 -7.446 12.922 1.00 0.00 O ATOM 160 CG2 THR A 10 7.575 -6.947 14.391 1.00 0.00 C ATOM 0 H THR A 10 6.357 -5.293 12.173 1.00 0.00 H new ATOM 0 HA THR A 10 8.894 -6.770 12.028 1.00 0.00 H new ATOM 0 HB THR A 10 7.469 -8.563 12.999 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.320 -7.920 13.671 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.082 -7.496 15.193 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.656 -7.039 14.499 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.293 -5.895 14.445 1.00 0.00 H new ATOM 168 N ASP A 11 8.246 -8.424 10.002 1.00 0.00 N ATOM 169 CA ASP A 11 7.957 -9.096 8.718 1.00 0.00 C ATOM 170 C ASP A 11 6.506 -9.596 8.649 1.00 0.00 C ATOM 171 O ASP A 11 5.906 -9.583 7.577 1.00 0.00 O ATOM 172 CB ASP A 11 8.932 -10.260 8.452 1.00 0.00 C ATOM 173 CG ASP A 11 10.233 -9.914 7.700 1.00 0.00 C ATOM 174 OD1 ASP A 11 10.239 -9.015 6.829 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.267 -10.606 7.902 1.00 0.00 O ATOM 0 H ASP A 11 9.112 -8.744 10.436 1.00 0.00 H new ATOM 0 HA ASP A 11 8.096 -8.347 7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.201 -10.705 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.403 -11.024 7.883 1.00 0.00 H new ATOM 180 N GLU A 12 5.928 -9.973 9.793 1.00 0.00 N ATOM 181 CA GLU A 12 4.528 -10.330 9.938 1.00 0.00 C ATOM 182 C GLU A 12 3.570 -9.143 9.762 1.00 0.00 C ATOM 183 O GLU A 12 2.586 -9.278 9.045 1.00 0.00 O ATOM 184 CB GLU A 12 4.311 -10.968 11.314 1.00 0.00 C ATOM 185 CG GLU A 12 3.059 -11.858 11.327 1.00 0.00 C ATOM 186 CD GLU A 12 3.400 -13.289 10.916 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.138 -13.975 11.663 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.986 -13.737 9.820 1.00 0.00 O ATOM 0 H GLU A 12 6.446 -10.038 10.669 1.00 0.00 H new ATOM 0 HA GLU A 12 4.296 -11.034 9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.184 -11.562 11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.212 -10.187 12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.618 -11.857 12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.311 -11.449 10.648 1.00 0.00 H new ATOM 195 N GLU A 13 3.819 -8.001 10.411 1.00 0.00 N ATOM 196 CA GLU A 13 3.094 -6.755 10.156 1.00 0.00 C ATOM 197 C GLU A 13 3.305 -6.302 8.726 1.00 0.00 C ATOM 198 O GLU A 13 2.353 -5.896 8.080 1.00 0.00 O ATOM 199 CB GLU A 13 3.592 -5.618 11.059 1.00 0.00 C ATOM 200 CG GLU A 13 2.851 -5.545 12.388 1.00 0.00 C ATOM 201 CD GLU A 13 1.375 -5.130 12.320 1.00 0.00 C ATOM 202 OE1 GLU A 13 0.812 -4.971 11.214 1.00 0.00 O ATOM 203 OE2 GLU A 13 0.769 -5.037 13.412 1.00 0.00 O ATOM 0 H GLU A 13 4.535 -7.916 11.133 1.00 0.00 H new ATOM 0 HA GLU A 13 2.042 -6.962 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.657 -5.753 11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.480 -4.669 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.910 -6.522 12.867 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.375 -4.841 13.034 1.00 0.00 H new ATOM 210 N LEU A 14 4.536 -6.375 8.214 1.00 0.00 N ATOM 211 CA LEU A 14 4.901 -5.850 6.913 1.00 0.00 C ATOM 212 C LEU A 14 3.959 -6.458 5.897 1.00 0.00 C ATOM 213 O LEU A 14 3.245 -5.730 5.223 1.00 0.00 O ATOM 214 CB LEU A 14 6.373 -6.106 6.511 1.00 0.00 C ATOM 215 CG LEU A 14 7.518 -5.163 6.941 1.00 0.00 C ATOM 216 CD1 LEU A 14 7.219 -3.660 6.941 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.028 -5.437 8.318 1.00 0.00 C ATOM 0 H LEU A 14 5.315 -6.810 8.708 1.00 0.00 H new ATOM 0 HA LEU A 14 4.811 -4.764 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.630 -7.099 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.397 -6.153 5.422 1.00 0.00 H new ATOM 0 HG LEU A 14 8.242 -5.390 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.105 -3.113 7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.942 -3.344 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.397 -3.453 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.830 -4.738 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.218 -5.316 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.409 -6.457 8.369 1.00 0.00 H new ATOM 229 N LYS A 15 3.880 -7.782 5.788 1.00 0.00 N ATOM 230 CA LYS A 15 2.921 -8.367 4.873 1.00 0.00 C ATOM 231 C LYS A 15 1.524 -7.900 5.209 1.00 0.00 C ATOM 232 O LYS A 15 0.850 -7.465 4.301 1.00 0.00 O ATOM 233 CB LYS A 15 3.002 -9.893 4.834 1.00 0.00 C ATOM 234 CG LYS A 15 3.000 -10.652 6.174 1.00 0.00 C ATOM 235 CD LYS A 15 1.597 -11.077 6.663 1.00 0.00 C ATOM 236 CE LYS A 15 1.664 -12.185 7.709 1.00 0.00 C ATOM 237 NZ LYS A 15 1.647 -13.532 7.109 1.00 0.00 N ATOM 0 H LYS A 15 4.452 -8.448 6.307 1.00 0.00 H new ATOM 0 HA LYS A 15 3.175 -8.022 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.162 -10.257 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.911 -10.165 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.622 -11.542 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.462 -10.023 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.083 -10.213 7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.005 -11.417 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.571 -12.066 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.821 -12.085 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.088 -14.209 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.664 -13.818 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.177 -13.520 6.214 1.00 0.00 H new ATOM 251 N ASN A 16 1.082 -7.900 6.454 1.00 0.00 N ATOM 252 CA ASN A 16 -0.296 -7.579 6.805 1.00 0.00 C ATOM 253 C ASN A 16 -0.658 -6.125 6.498 1.00 0.00 C ATOM 254 O ASN A 16 -1.831 -5.784 6.448 1.00 0.00 O ATOM 255 CB ASN A 16 -0.499 -7.859 8.299 1.00 0.00 C ATOM 256 CG ASN A 16 -1.575 -8.891 8.594 1.00 0.00 C ATOM 257 OD1 ASN A 16 -1.865 -9.788 7.799 1.00 0.00 O ATOM 258 ND2 ASN A 16 -2.148 -8.840 9.779 1.00 0.00 N ATOM 0 H ASN A 16 1.670 -8.124 7.257 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.952 -8.203 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.444 -8.200 8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.757 -6.927 8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.836 -9.545 10.044 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.904 -8.095 10.432 1.00 0.00 H new ATOM 265 N LEU A 17 0.346 -5.289 6.265 1.00 0.00 N ATOM 266 CA LEU A 17 0.294 -3.851 6.034 1.00 0.00 C ATOM 267 C LEU A 17 0.277 -3.651 4.532 1.00 0.00 C ATOM 268 O LEU A 17 -0.600 -3.008 3.959 1.00 0.00 O ATOM 269 CB LEU A 17 1.565 -3.223 6.648 1.00 0.00 C ATOM 270 CG LEU A 17 1.923 -1.783 6.224 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.410 -0.767 7.242 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.449 -1.663 6.062 1.00 0.00 C ATOM 0 H LEU A 17 1.306 -5.632 6.230 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.583 -3.387 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.457 -3.238 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.410 -3.866 6.403 1.00 0.00 H new ATOM 0 HG LEU A 17 1.440 -1.567 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.676 0.239 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.326 -0.847 7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.861 -0.966 8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.704 -0.647 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.935 -1.895 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.790 -2.363 5.299 1.00 0.00 H new ATOM 284 N LEU A 18 1.302 -4.182 3.873 1.00 0.00 N ATOM 285 CA LEU A 18 1.461 -3.993 2.440 1.00 0.00 C ATOM 286 C LEU A 18 0.339 -4.742 1.723 1.00 0.00 C ATOM 287 O LEU A 18 -0.205 -4.220 0.746 1.00 0.00 O ATOM 288 CB LEU A 18 2.860 -4.415 1.908 1.00 0.00 C ATOM 289 CG LEU A 18 4.121 -4.264 2.805 1.00 0.00 C ATOM 290 CD1 LEU A 18 4.938 -5.554 2.788 1.00 0.00 C ATOM 291 CD2 LEU A 18 5.172 -3.218 2.446 1.00 0.00 C ATOM 0 H LEU A 18 2.032 -4.745 4.309 1.00 0.00 H new ATOM 0 HA LEU A 18 1.394 -2.925 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.793 -5.464 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.043 -3.846 0.996 1.00 0.00 H new ATOM 0 HG LEU A 18 3.650 -3.972 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.818 -5.436 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.329 -6.376 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.251 -5.773 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.981 -3.250 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.570 -3.428 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.717 -2.228 2.452 1.00 0.00 H new ATOM 303 N GLU A 19 -0.038 -5.924 2.220 1.00 0.00 N ATOM 304 CA GLU A 19 -1.193 -6.674 1.731 1.00 0.00 C ATOM 305 C GLU A 19 -2.491 -5.895 1.947 1.00 0.00 C ATOM 306 O GLU A 19 -3.352 -5.949 1.064 1.00 0.00 O ATOM 307 CB GLU A 19 -1.267 -8.103 2.325 1.00 0.00 C ATOM 308 CG GLU A 19 -2.086 -8.312 3.623 1.00 0.00 C ATOM 309 CD GLU A 19 -3.594 -8.514 3.402 1.00 0.00 C ATOM 310 OE1 GLU A 19 -3.965 -9.238 2.447 1.00 0.00 O ATOM 311 OE2 GLU A 19 -4.409 -7.947 4.160 1.00 0.00 O ATOM 0 H GLU A 19 0.457 -6.390 2.981 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.060 -6.799 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.680 -8.761 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.247 -8.438 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.690 -9.179 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.940 -7.449 4.272 1.00 0.00 H new ATOM 318 N GLU A 20 -2.616 -5.178 3.074 1.00 0.00 N ATOM 319 CA GLU A 20 -3.807 -4.417 3.447 1.00 0.00 C ATOM 320 C GLU A 20 -3.988 -3.262 2.489 1.00 0.00 C ATOM 321 O GLU A 20 -5.057 -3.061 1.919 1.00 0.00 O ATOM 322 CB GLU A 20 -3.724 -3.886 4.884 1.00 0.00 C ATOM 323 CG GLU A 20 -4.792 -2.831 5.214 1.00 0.00 C ATOM 324 CD GLU A 20 -4.676 -2.394 6.672 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.954 -3.235 7.559 1.00 0.00 O ATOM 326 OE2 GLU A 20 -4.309 -1.216 6.908 1.00 0.00 O ATOM 0 H GLU A 20 -1.869 -5.113 3.766 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.662 -5.090 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.824 -4.721 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.736 -3.454 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.674 -1.968 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.785 -3.239 5.028 1.00 0.00 H new ATOM 333 N LYS A 21 -2.931 -2.496 2.281 1.00 0.00 N ATOM 334 CA LYS A 21 -2.980 -1.359 1.399 1.00 0.00 C ATOM 335 C LYS A 21 -3.258 -1.903 -0.005 1.00 0.00 C ATOM 336 O LYS A 21 -4.242 -1.495 -0.625 1.00 0.00 O ATOM 337 CB LYS A 21 -1.706 -0.535 1.647 1.00 0.00 C ATOM 338 CG LYS A 21 -1.670 0.002 3.100 1.00 0.00 C ATOM 339 CD LYS A 21 -2.673 1.106 3.487 1.00 0.00 C ATOM 340 CE LYS A 21 -2.214 2.487 3.000 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.795 3.381 4.109 1.00 0.00 N ATOM 0 H LYS A 21 -2.023 -2.649 2.719 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.783 -0.641 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.827 -1.152 1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.665 0.298 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.826 -0.842 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.666 0.381 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.649 0.876 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.794 1.124 4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.383 2.364 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.025 2.959 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.294 4.205 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.634 3.701 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.163 2.863 4.752 1.00 0.00 H new ATOM 355 N LYS A 22 -2.464 -2.855 -0.520 1.00 0.00 N ATOM 356 CA LYS A 22 -2.723 -3.499 -1.813 1.00 0.00 C ATOM 357 C LYS A 22 -4.195 -3.920 -1.974 1.00 0.00 C ATOM 358 O LYS A 22 -4.774 -3.571 -3.003 1.00 0.00 O ATOM 359 CB LYS A 22 -1.773 -4.694 -2.003 1.00 0.00 C ATOM 360 CG LYS A 22 -1.864 -5.335 -3.404 1.00 0.00 C ATOM 361 CD LYS A 22 -2.138 -6.844 -3.370 1.00 0.00 C ATOM 362 CE LYS A 22 -3.568 -7.163 -2.902 1.00 0.00 C ATOM 363 NZ LYS A 22 -3.843 -8.614 -2.912 1.00 0.00 N ATOM 0 H LYS A 22 -1.626 -3.198 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.529 -2.766 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.749 -4.365 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.998 -5.450 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.655 -4.843 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.931 -5.155 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.981 -7.263 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.423 -7.327 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.715 -6.773 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.283 -6.654 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.817 -8.785 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.728 -8.982 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.178 -9.098 -2.275 1.00 0.00 H new ATOM 377 N ARG A 23 -4.797 -4.659 -1.026 1.00 0.00 N ATOM 378 CA ARG A 23 -6.207 -5.061 -1.141 1.00 0.00 C ATOM 379 C ARG A 23 -7.098 -3.835 -1.113 1.00 0.00 C ATOM 380 O ARG A 23 -7.899 -3.688 -2.023 1.00 0.00 O ATOM 381 CB ARG A 23 -6.670 -6.111 -0.102 1.00 0.00 C ATOM 382 CG ARG A 23 -6.609 -5.669 1.363 1.00 0.00 C ATOM 383 CD ARG A 23 -6.633 -6.811 2.384 1.00 0.00 C ATOM 384 NE ARG A 23 -7.941 -7.420 2.646 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.148 -8.260 3.671 1.00 0.00 C ATOM 386 NH1 ARG A 23 -7.153 -8.642 4.473 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.378 -8.693 3.903 1.00 0.00 N ATOM 0 H ARG A 23 -4.333 -4.987 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.297 -5.567 -2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.696 -6.396 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.057 -7.005 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.701 -5.086 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.450 -5.005 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.955 -7.592 2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.235 -6.436 3.327 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.721 -7.197 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.207 -8.294 4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.338 -9.282 5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.147 -8.387 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.556 -9.332 4.678 1.00 0.00 H new ATOM 401 N GLN A 24 -6.954 -2.959 -0.117 1.00 0.00 N ATOM 402 CA GLN A 24 -7.794 -1.799 0.074 1.00 0.00 C ATOM 403 C GLN A 24 -7.942 -1.053 -1.237 1.00 0.00 C ATOM 404 O GLN A 24 -9.064 -0.811 -1.638 1.00 0.00 O ATOM 405 CB GLN A 24 -7.223 -0.857 1.136 1.00 0.00 C ATOM 406 CG GLN A 24 -7.741 -1.067 2.571 1.00 0.00 C ATOM 407 CD GLN A 24 -7.928 0.238 3.360 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.370 1.294 3.047 1.00 0.00 O ATOM 409 NE2 GLN A 24 -8.760 0.219 4.388 1.00 0.00 N ATOM 0 H GLN A 24 -6.227 -3.049 0.593 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.768 -2.146 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.138 -0.964 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.440 0.169 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.693 -1.595 2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.043 -1.709 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.224 -0.650 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.937 1.073 4.917 1.00 0.00 H new ATOM 418 N LEU A 25 -6.861 -0.733 -1.953 1.00 0.00 N ATOM 419 CA LEU A 25 -6.995 -0.045 -3.239 1.00 0.00 C ATOM 420 C LEU A 25 -7.996 -0.749 -4.166 1.00 0.00 C ATOM 421 O LEU A 25 -8.876 -0.088 -4.727 1.00 0.00 O ATOM 422 CB LEU A 25 -5.618 0.044 -3.891 1.00 0.00 C ATOM 423 CG LEU A 25 -5.652 0.480 -5.372 1.00 0.00 C ATOM 424 CD1 LEU A 25 -6.020 1.966 -5.447 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.309 0.225 -6.056 1.00 0.00 C ATOM 0 H LEU A 25 -5.902 -0.934 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.388 0.956 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.006 0.750 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.130 -0.928 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.402 -0.111 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.046 2.282 -6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.000 2.121 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.276 2.553 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.365 0.542 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.528 0.789 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.075 -0.839 -6.013 1.00 0.00 H new ATOM 437 N MET A 26 -7.839 -2.063 -4.347 1.00 0.00 N ATOM 438 CA MET A 26 -8.734 -2.861 -5.185 1.00 0.00 C ATOM 439 C MET A 26 -10.184 -2.874 -4.674 1.00 0.00 C ATOM 440 O MET A 26 -11.122 -2.990 -5.465 1.00 0.00 O ATOM 441 CB MET A 26 -8.206 -4.298 -5.318 1.00 0.00 C ATOM 442 CG MET A 26 -6.832 -4.343 -5.989 1.00 0.00 C ATOM 443 SD MET A 26 -6.774 -3.565 -7.629 1.00 0.00 S ATOM 444 CE MET A 26 -4.998 -3.671 -7.912 1.00 0.00 C ATOM 0 H MET A 26 -7.088 -2.602 -3.916 1.00 0.00 H new ATOM 0 HA MET A 26 -8.749 -2.384 -6.165 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.142 -4.754 -4.330 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.913 -4.892 -5.898 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.108 -3.850 -5.340 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.520 -5.383 -6.082 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.758 -3.238 -8.883 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.472 -3.123 -7.130 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.688 -4.716 -7.894 1.00 0.00 H new ATOM 454 N GLU A 27 -10.394 -2.712 -3.375 1.00 0.00 N ATOM 455 CA GLU A 27 -11.711 -2.828 -2.738 1.00 0.00 C ATOM 456 C GLU A 27 -12.382 -1.468 -2.616 1.00 0.00 C ATOM 457 O GLU A 27 -13.597 -1.338 -2.543 1.00 0.00 O ATOM 458 CB GLU A 27 -11.538 -3.381 -1.329 1.00 0.00 C ATOM 459 CG GLU A 27 -10.918 -4.778 -1.286 1.00 0.00 C ATOM 460 CD GLU A 27 -11.877 -5.932 -1.590 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.779 -5.779 -2.443 1.00 0.00 O ATOM 462 OE2 GLU A 27 -11.743 -7.026 -0.991 1.00 0.00 O ATOM 0 H GLU A 27 -9.645 -2.492 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.325 -3.485 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.912 -2.698 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.511 -3.410 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.095 -4.814 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.488 -4.936 -0.297 1.00 0.00 H new ATOM 469 N LEU A 28 -11.595 -0.410 -2.571 1.00 0.00 N ATOM 470 CA LEU A 28 -12.028 0.958 -2.688 1.00 0.00 C ATOM 471 C LEU A 28 -12.484 1.219 -4.125 1.00 0.00 C ATOM 472 O LEU A 28 -13.558 1.776 -4.339 1.00 0.00 O ATOM 473 CB LEU A 28 -10.879 1.864 -2.238 1.00 0.00 C ATOM 474 CG LEU A 28 -10.499 1.810 -0.742 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.271 2.697 -0.541 1.00 0.00 C ATOM 476 CD2 LEU A 28 -11.577 2.201 0.257 1.00 0.00 C ATOM 0 H LEU A 28 -10.586 -0.492 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.884 1.171 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.995 1.609 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.140 2.893 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.317 0.758 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.977 2.680 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.450 2.326 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.509 3.720 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.181 2.120 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.890 3.228 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.433 1.535 0.148 1.00 0.00 H new ATOM 488 N ARG A 29 -11.737 0.779 -5.142 1.00 0.00 N ATOM 489 CA ARG A 29 -12.195 0.936 -6.534 1.00 0.00 C ATOM 490 C ARG A 29 -13.508 0.183 -6.779 1.00 0.00 C ATOM 491 O ARG A 29 -14.282 0.614 -7.627 1.00 0.00 O ATOM 492 CB ARG A 29 -11.130 0.619 -7.602 1.00 0.00 C ATOM 493 CG ARG A 29 -10.693 -0.845 -7.644 1.00 0.00 C ATOM 494 CD ARG A 29 -9.716 -1.187 -8.778 1.00 0.00 C ATOM 495 NE ARG A 29 -10.398 -1.359 -10.076 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.434 -0.509 -11.108 1.00 0.00 C ATOM 497 NH1 ARG A 29 -9.848 0.680 -11.037 1.00 0.00 N ATOM 498 NH2 ARG A 29 -11.028 -0.877 -12.237 1.00 0.00 N ATOM 0 H ARG A 29 -10.832 0.321 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.388 2.002 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.521 0.897 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.254 1.242 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.227 -1.099 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.579 -1.472 -7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.972 -0.395 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.180 -2.103 -8.528 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.905 -2.235 -10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.360 0.958 -10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.886 1.315 -11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.452 -1.802 -12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.060 -0.235 -13.029 1.00 0.00 H new ATOM 512 N PHE A 30 -13.790 -0.876 -6.018 1.00 0.00 N ATOM 513 CA PHE A 30 -15.088 -1.536 -5.990 1.00 0.00 C ATOM 514 C PHE A 30 -16.170 -0.569 -5.485 1.00 0.00 C ATOM 515 O PHE A 30 -17.213 -0.482 -6.124 1.00 0.00 O ATOM 516 CB PHE A 30 -14.951 -2.828 -5.162 1.00 0.00 C ATOM 517 CG PHE A 30 -16.190 -3.645 -4.838 1.00 0.00 C ATOM 518 CD1 PHE A 30 -17.230 -3.130 -4.034 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.243 -4.990 -5.245 1.00 0.00 C ATOM 520 CE1 PHE A 30 -18.337 -3.931 -3.709 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.342 -5.797 -4.908 1.00 0.00 C ATOM 522 CZ PHE A 30 -18.400 -5.261 -4.153 1.00 0.00 C ATOM 0 H PHE A 30 -13.107 -1.304 -5.393 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.414 -1.824 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.258 -3.482 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.480 -2.561 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.174 -2.116 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.431 -5.406 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.142 -3.522 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.374 -6.828 -5.228 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.259 -5.871 -3.915 1.00 0.00 H new ATOM 532 N GLN A 31 -15.955 0.187 -4.395 1.00 0.00 N ATOM 533 CA GLN A 31 -16.942 1.105 -3.855 1.00 0.00 C ATOM 534 C GLN A 31 -17.152 2.213 -4.863 1.00 0.00 C ATOM 535 O GLN A 31 -18.271 2.648 -5.075 1.00 0.00 O ATOM 536 CB GLN A 31 -16.467 1.720 -2.526 1.00 0.00 C ATOM 537 CG GLN A 31 -16.281 0.693 -1.406 1.00 0.00 C ATOM 538 CD GLN A 31 -15.921 1.329 -0.061 1.00 0.00 C ATOM 539 OE1 GLN A 31 -15.412 2.447 0.025 1.00 0.00 O ATOM 540 NE2 GLN A 31 -16.177 0.620 1.023 1.00 0.00 N ATOM 0 H GLN A 31 -15.082 0.170 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.867 0.561 -3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.523 2.238 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.190 2.470 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.199 0.116 -1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.497 -0.008 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.599 -0.305 0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.953 0.997 1.944 1.00 0.00 H new ATOM 549 N LEU A 32 -16.076 2.683 -5.483 1.00 0.00 N ATOM 550 CA LEU A 32 -16.109 3.724 -6.491 1.00 0.00 C ATOM 551 C LEU A 32 -16.995 3.307 -7.651 1.00 0.00 C ATOM 552 O LEU A 32 -17.892 4.049 -8.038 1.00 0.00 O ATOM 553 CB LEU A 32 -14.666 3.994 -6.931 1.00 0.00 C ATOM 554 CG LEU A 32 -14.489 4.960 -8.110 1.00 0.00 C ATOM 555 CD1 LEU A 32 -14.846 4.449 -9.510 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.164 6.306 -7.802 1.00 0.00 C ATOM 0 H LEU A 32 -15.135 2.339 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.537 4.643 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.116 4.390 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.204 3.043 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.408 5.080 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.671 5.238 -10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.225 3.586 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.896 4.158 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.031 6.982 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.228 6.148 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.712 6.744 -6.912 1.00 0.00 H new ATOM 568 N ALA A 33 -16.710 2.141 -8.214 1.00 0.00 N ATOM 569 CA ALA A 33 -17.406 1.612 -9.367 1.00 0.00 C ATOM 570 C ALA A 33 -18.863 1.258 -9.054 1.00 0.00 C ATOM 571 O ALA A 33 -19.708 1.344 -9.952 1.00 0.00 O ATOM 572 CB ALA A 33 -16.635 0.402 -9.879 1.00 0.00 C ATOM 0 H ALA A 33 -15.971 1.527 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.448 2.379 -10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.144 -0.012 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.626 0.705 -10.159 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.582 -0.354 -9.096 1.00 0.00 H new ATOM 578 N MET A 34 -19.177 0.878 -7.811 1.00 0.00 N ATOM 579 CA MET A 34 -20.537 0.776 -7.334 1.00 0.00 C ATOM 580 C MET A 34 -21.187 2.157 -7.243 1.00 0.00 C ATOM 581 O MET A 34 -22.352 2.312 -7.607 1.00 0.00 O ATOM 582 CB MET A 34 -20.548 0.086 -5.965 1.00 0.00 C ATOM 583 CG MET A 34 -20.443 -1.436 -6.078 1.00 0.00 C ATOM 584 SD MET A 34 -21.252 -2.295 -4.699 1.00 0.00 S ATOM 585 CE MET A 34 -21.534 -3.912 -5.464 1.00 0.00 C ATOM 0 H MET A 34 -18.478 0.633 -7.110 1.00 0.00 H new ATOM 0 HA MET A 34 -21.115 0.181 -8.041 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.719 0.461 -5.365 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.466 0.346 -5.438 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.893 -1.759 -7.017 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.392 -1.722 -6.113 1.00 0.00 H new ATOM 0 HE1 MET A 34 -21.946 -4.598 -4.724 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.236 -3.806 -6.291 1.00 0.00 H new ATOM 0 HE3 MET A 34 -20.590 -4.307 -5.838 1.00 0.00 H new ATOM 595 N GLY A 35 -20.443 3.151 -6.762 1.00 0.00 N ATOM 596 CA GLY A 35 -20.831 4.548 -6.698 1.00 0.00 C ATOM 597 C GLY A 35 -20.894 5.069 -5.268 1.00 0.00 C ATOM 598 O GLY A 35 -21.864 5.744 -4.923 1.00 0.00 O ATOM 0 H GLY A 35 -19.507 2.990 -6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.120 5.146 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.805 4.674 -7.171 1.00 0.00 H new ATOM 602 N GLN A 36 -19.905 4.746 -4.418 1.00 0.00 N ATOM 603 CA GLN A 36 -19.892 5.192 -3.019 1.00 0.00 C ATOM 604 C GLN A 36 -18.607 5.952 -2.690 1.00 0.00 C ATOM 605 O GLN A 36 -18.588 6.771 -1.771 1.00 0.00 O ATOM 606 CB GLN A 36 -20.106 4.010 -2.048 1.00 0.00 C ATOM 607 CG GLN A 36 -21.029 2.943 -2.655 1.00 0.00 C ATOM 608 CD GLN A 36 -21.560 1.887 -1.687 1.00 0.00 C ATOM 609 OE1 GLN A 36 -21.402 1.974 -0.464 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.250 0.890 -2.215 1.00 0.00 N ATOM 0 H GLN A 36 -19.101 4.175 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 36 -20.727 5.881 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.144 3.562 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.536 4.377 -1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.880 3.446 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.489 2.436 -3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.371 0.833 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -22.661 0.178 -1.611 1.00 0.00 H new ATOM 619 N LEU A 37 -17.511 5.690 -3.401 1.00 0.00 N ATOM 620 CA LEU A 37 -16.259 6.392 -3.212 1.00 0.00 C ATOM 621 C LEU A 37 -16.317 7.814 -3.781 1.00 0.00 C ATOM 622 O LEU A 37 -16.015 8.032 -4.956 1.00 0.00 O ATOM 623 CB LEU A 37 -15.175 5.563 -3.866 1.00 0.00 C ATOM 624 CG LEU A 37 -13.752 5.749 -3.357 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.380 7.106 -2.742 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.424 4.612 -2.400 1.00 0.00 C ATOM 0 H LEU A 37 -17.475 4.977 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.047 6.511 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.439 4.512 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.182 5.780 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.136 5.730 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.337 7.088 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.521 7.892 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.017 7.302 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.407 4.732 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.122 4.628 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.508 3.660 -2.924 1.00 0.00 H new ATOM 638 N LYS A 38 -16.639 8.780 -2.921 1.00 0.00 N ATOM 639 CA LYS A 38 -16.617 10.215 -3.192 1.00 0.00 C ATOM 640 C LYS A 38 -15.418 10.610 -4.058 1.00 0.00 C ATOM 641 O LYS A 38 -14.294 10.613 -3.565 1.00 0.00 O ATOM 642 CB LYS A 38 -16.603 10.980 -1.857 1.00 0.00 C ATOM 643 CG LYS A 38 -17.988 11.028 -1.200 1.00 0.00 C ATOM 644 CD LYS A 38 -17.918 11.593 0.226 1.00 0.00 C ATOM 645 CE LYS A 38 -19.230 12.248 0.674 1.00 0.00 C ATOM 646 NZ LYS A 38 -19.395 13.606 0.117 1.00 0.00 N ATOM 0 H LYS A 38 -16.937 8.571 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.513 10.477 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.896 10.505 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.248 11.997 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.656 11.643 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.414 10.025 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.664 10.790 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.114 12.327 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.069 11.626 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.256 12.298 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.295 14.009 0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.609 14.209 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.397 13.557 -0.922 1.00 0.00 H new ATOM 660 N ASN A 39 -15.655 10.910 -5.341 1.00 0.00 N ATOM 661 CA ASN A 39 -14.731 11.458 -6.342 1.00 0.00 C ATOM 662 C ASN A 39 -13.314 10.867 -6.303 1.00 0.00 C ATOM 663 O ASN A 39 -12.343 11.583 -6.541 1.00 0.00 O ATOM 664 CB ASN A 39 -14.702 12.989 -6.225 1.00 0.00 C ATOM 665 CG ASN A 39 -14.099 13.679 -7.446 1.00 0.00 C ATOM 666 OD1 ASN A 39 -14.539 13.472 -8.571 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.119 14.550 -7.271 1.00 0.00 N ATOM 0 H ASN A 39 -16.582 10.762 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.119 11.161 -7.316 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.718 13.354 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.130 13.268 -5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.731 15.048 -8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.752 14.723 -6.335 1.00 0.00 H new ATOM 674 N THR A 40 -13.171 9.583 -5.962 1.00 0.00 N ATOM 675 CA THR A 40 -11.891 8.926 -5.691 1.00 0.00 C ATOM 676 C THR A 40 -10.956 9.705 -4.746 1.00 0.00 C ATOM 677 O THR A 40 -9.757 9.429 -4.712 1.00 0.00 O ATOM 678 CB THR A 40 -11.190 8.466 -6.989 1.00 0.00 C ATOM 679 OG1 THR A 40 -11.138 9.439 -8.018 1.00 0.00 O ATOM 680 CG2 THR A 40 -11.846 7.213 -7.545 1.00 0.00 C ATOM 0 H THR A 40 -13.968 8.954 -5.864 1.00 0.00 H new ATOM 0 HA THR A 40 -12.146 8.028 -5.128 1.00 0.00 H new ATOM 0 HB THR A 40 -10.162 8.272 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.678 9.065 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.335 6.909 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.781 6.411 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.893 7.418 -7.767 1.00 0.00 H new ATOM 688 N SER A 41 -11.466 10.626 -3.930 1.00 0.00 N ATOM 689 CA SER A 41 -10.678 11.446 -3.028 1.00 0.00 C ATOM 690 C SER A 41 -9.854 10.594 -2.072 1.00 0.00 C ATOM 691 O SER A 41 -8.673 10.897 -1.870 1.00 0.00 O ATOM 692 CB SER A 41 -11.643 12.352 -2.266 1.00 0.00 C ATOM 693 OG SER A 41 -12.285 13.242 -3.160 1.00 0.00 O ATOM 0 H SER A 41 -12.466 10.823 -3.881 1.00 0.00 H new ATOM 0 HA SER A 41 -9.965 12.044 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.386 11.748 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.101 12.916 -1.506 1.00 0.00 H new ATOM 0 HG SER A 41 -12.903 13.817 -2.662 1.00 0.00 H new ATOM 699 N LEU A 42 -10.445 9.520 -1.535 1.00 0.00 N ATOM 700 CA LEU A 42 -9.699 8.569 -0.733 1.00 0.00 C ATOM 701 C LEU A 42 -8.826 7.705 -1.633 1.00 0.00 C ATOM 702 O LEU A 42 -7.637 7.610 -1.368 1.00 0.00 O ATOM 703 CB LEU A 42 -10.654 7.719 0.125 1.00 0.00 C ATOM 704 CG LEU A 42 -10.261 7.648 1.609 1.00 0.00 C ATOM 705 CD1 LEU A 42 -8.925 6.926 1.818 1.00 0.00 C ATOM 706 CD2 LEU A 42 -10.233 9.024 2.294 1.00 0.00 C ATOM 0 H LEU A 42 -11.434 9.297 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.045 9.110 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.661 8.129 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.688 6.708 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.048 7.064 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.688 6.900 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.999 5.907 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.137 7.457 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.949 8.904 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.509 9.666 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.222 9.479 2.237 1.00 0.00 H new ATOM 718 N ILE A 43 -9.366 7.146 -2.730 1.00 0.00 N ATOM 719 CA ILE A 43 -8.611 6.306 -3.669 1.00 0.00 C ATOM 720 C ILE A 43 -7.273 6.958 -4.015 1.00 0.00 C ATOM 721 O ILE A 43 -6.264 6.269 -3.981 1.00 0.00 O ATOM 722 CB ILE A 43 -9.442 5.945 -4.932 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.179 4.595 -4.787 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.625 5.956 -6.245 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.261 3.369 -4.828 1.00 0.00 C ATOM 0 H ILE A 43 -10.345 7.267 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.397 5.358 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.180 6.744 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.727 4.593 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.916 4.509 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.275 5.694 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.209 6.951 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.814 5.231 -6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.858 2.464 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.732 3.343 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.539 3.427 -4.013 1.00 0.00 H new ATOM 737 N LYS A 44 -7.226 8.259 -4.305 1.00 0.00 N ATOM 738 CA LYS A 44 -6.000 8.987 -4.575 1.00 0.00 C ATOM 739 C LYS A 44 -5.008 8.841 -3.427 1.00 0.00 C ATOM 740 O LYS A 44 -3.849 8.461 -3.630 1.00 0.00 O ATOM 741 CB LYS A 44 -6.381 10.456 -4.868 1.00 0.00 C ATOM 742 CG LYS A 44 -5.227 11.466 -4.776 1.00 0.00 C ATOM 743 CD LYS A 44 -4.002 11.052 -5.602 1.00 0.00 C ATOM 744 CE LYS A 44 -2.749 11.031 -4.721 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.947 12.258 -4.920 1.00 0.00 N ATOM 0 H LYS A 44 -8.061 8.842 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.488 8.577 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.810 10.510 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.162 10.757 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.576 12.441 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.933 11.580 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.165 10.066 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.861 11.747 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.037 10.945 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.146 10.154 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.103 12.223 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.655 12.324 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.518 13.090 -4.670 1.00 0.00 H new ATOM 759 N LEU A 45 -5.449 9.169 -2.218 1.00 0.00 N ATOM 760 CA LEU A 45 -4.636 9.188 -1.029 1.00 0.00 C ATOM 761 C LEU A 45 -4.261 7.773 -0.587 1.00 0.00 C ATOM 762 O LEU A 45 -3.394 7.608 0.273 1.00 0.00 O ATOM 763 CB LEU A 45 -5.458 9.827 0.059 1.00 0.00 C ATOM 764 CG LEU A 45 -5.437 11.353 0.081 1.00 0.00 C ATOM 765 CD1 LEU A 45 -6.250 11.745 1.292 1.00 0.00 C ATOM 766 CD2 LEU A 45 -4.028 11.933 0.268 1.00 0.00 C ATOM 0 H LEU A 45 -6.418 9.437 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.715 9.736 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.491 9.496 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.103 9.461 1.022 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.819 11.731 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.280 12.832 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.265 11.361 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.793 11.326 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.081 13.022 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.613 11.584 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.388 11.606 -0.552 1.00 0.00 H new ATOM 778 N THR A 46 -4.914 6.761 -1.146 1.00 0.00 N ATOM 779 CA THR A 46 -4.636 5.376 -0.886 1.00 0.00 C ATOM 780 C THR A 46 -3.658 4.904 -1.952 1.00 0.00 C ATOM 781 O THR A 46 -2.581 4.449 -1.607 1.00 0.00 O ATOM 782 CB THR A 46 -5.979 4.635 -0.815 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.776 5.249 0.166 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.852 3.182 -0.394 1.00 0.00 C ATOM 0 H THR A 46 -5.674 6.899 -1.812 1.00 0.00 H new ATOM 0 HA THR A 46 -4.149 5.180 0.069 1.00 0.00 H new ATOM 0 HB THR A 46 -6.402 4.676 -1.819 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.165 6.072 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.841 2.724 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.225 2.649 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.399 3.128 0.596 1.00 0.00 H new ATOM 792 N LYS A 47 -3.931 5.087 -3.245 1.00 0.00 N ATOM 793 CA LYS A 47 -3.069 4.720 -4.372 1.00 0.00 C ATOM 794 C LYS A 47 -1.648 5.218 -4.196 1.00 0.00 C ATOM 795 O LYS A 47 -0.725 4.449 -4.468 1.00 0.00 O ATOM 796 CB LYS A 47 -3.672 5.285 -5.674 1.00 0.00 C ATOM 797 CG LYS A 47 -2.974 4.787 -6.951 1.00 0.00 C ATOM 798 CD LYS A 47 -3.218 3.291 -7.160 1.00 0.00 C ATOM 799 CE LYS A 47 -2.773 2.766 -8.522 1.00 0.00 C ATOM 800 NZ LYS A 47 -1.377 2.285 -8.555 1.00 0.00 N ATOM 0 H LYS A 47 -4.804 5.517 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.021 3.632 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.727 5.017 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.621 6.373 -5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.343 5.343 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.903 4.979 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.694 2.737 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.281 3.087 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.434 1.952 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.891 3.558 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.149 1.945 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.735 3.064 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.262 1.507 -7.875 1.00 0.00 H new ATOM 814 N ARG A 48 -1.468 6.450 -3.706 1.00 0.00 N ATOM 815 CA ARG A 48 -0.137 6.970 -3.396 1.00 0.00 C ATOM 816 C ARG A 48 0.627 6.001 -2.506 1.00 0.00 C ATOM 817 O ARG A 48 1.666 5.481 -2.915 1.00 0.00 O ATOM 818 CB ARG A 48 -0.227 8.411 -2.838 1.00 0.00 C ATOM 819 CG ARG A 48 -0.705 8.575 -1.382 1.00 0.00 C ATOM 820 CD ARG A 48 -0.786 10.019 -0.876 1.00 0.00 C ATOM 821 NE ARG A 48 0.562 10.618 -0.828 1.00 0.00 N ATOM 822 CZ ARG A 48 1.009 11.646 -0.096 1.00 0.00 C ATOM 823 NH1 ARG A 48 0.227 12.293 0.763 1.00 0.00 N ATOM 824 NH2 ARG A 48 2.278 12.008 -0.251 1.00 0.00 N ATOM 0 H ARG A 48 -2.229 7.103 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 48 0.446 7.047 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.759 8.868 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.899 8.980 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.690 8.119 -1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.032 8.017 -0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.430 10.606 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.237 10.040 0.116 1.00 0.00 H new ATOM 0 HE ARG A 48 1.253 10.186 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.746 12.010 0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.600 13.072 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.874 11.507 -0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.656 12.787 0.289 1.00 0.00 H new ATOM 838 N ASP A 49 0.045 5.688 -1.355 1.00 0.00 N ATOM 839 CA ASP A 49 0.569 4.790 -0.349 1.00 0.00 C ATOM 840 C ASP A 49 0.562 3.359 -0.831 1.00 0.00 C ATOM 841 O ASP A 49 1.432 2.613 -0.407 1.00 0.00 O ATOM 842 CB ASP A 49 -0.313 4.858 0.909 1.00 0.00 C ATOM 843 CG ASP A 49 0.068 5.930 1.913 1.00 0.00 C ATOM 844 OD1 ASP A 49 0.765 6.904 1.543 1.00 0.00 O ATOM 845 OD2 ASP A 49 -0.347 5.752 3.080 1.00 0.00 O ATOM 0 H ASP A 49 -0.858 6.080 -1.089 1.00 0.00 H new ATOM 0 HA ASP A 49 1.593 5.098 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.345 5.024 0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.281 3.889 1.407 1.00 0.00 H new ATOM 850 N ILE A 50 -0.347 2.944 -1.716 1.00 0.00 N ATOM 851 CA ILE A 50 -0.314 1.560 -2.157 1.00 0.00 C ATOM 852 C ILE A 50 0.916 1.429 -3.005 1.00 0.00 C ATOM 853 O ILE A 50 1.736 0.583 -2.722 1.00 0.00 O ATOM 854 CB ILE A 50 -1.554 1.082 -2.950 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.497 0.467 -1.932 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.274 -0.054 -3.969 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.192 1.496 -1.063 1.00 0.00 C ATOM 0 H ILE A 50 -1.082 3.522 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.310 0.924 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.930 1.946 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.249 -0.125 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.937 -0.218 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.200 -0.324 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.544 0.287 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.881 -0.925 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.851 0.991 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.447 2.072 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.779 2.166 -1.691 1.00 0.00 H new ATOM 869 N ALA A 51 1.106 2.258 -4.020 1.00 0.00 N ATOM 870 CA ALA A 51 2.213 2.062 -4.940 1.00 0.00 C ATOM 871 C ALA A 51 3.581 2.308 -4.275 1.00 0.00 C ATOM 872 O ALA A 51 4.624 2.032 -4.863 1.00 0.00 O ATOM 873 CB ALA A 51 1.956 3.016 -6.087 1.00 0.00 C ATOM 0 H ALA A 51 0.515 3.064 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 51 2.262 1.029 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.754 2.923 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.001 2.774 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.927 4.038 -5.710 1.00 0.00 H new ATOM 879 N ARG A 52 3.555 2.848 -3.060 1.00 0.00 N ATOM 880 CA ARG A 52 4.624 3.095 -2.104 1.00 0.00 C ATOM 881 C ARG A 52 4.859 1.833 -1.266 1.00 0.00 C ATOM 882 O ARG A 52 5.930 1.235 -1.344 1.00 0.00 O ATOM 883 CB ARG A 52 4.110 4.372 -1.400 1.00 0.00 C ATOM 884 CG ARG A 52 4.440 4.883 -0.013 1.00 0.00 C ATOM 885 CD ARG A 52 5.851 4.633 0.393 1.00 0.00 C ATOM 886 NE ARG A 52 6.272 5.652 1.375 1.00 0.00 N ATOM 887 CZ ARG A 52 6.786 6.856 1.072 1.00 0.00 C ATOM 888 NH1 ARG A 52 7.539 7.022 -0.014 1.00 0.00 N ATOM 889 NH2 ARG A 52 6.553 7.912 1.845 1.00 0.00 N ATOM 0 H ARG A 52 2.664 3.163 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 52 5.629 3.279 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.374 5.189 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.024 4.285 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.243 5.954 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.774 4.409 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.945 3.637 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.502 4.664 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 52 6.164 5.424 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.732 6.230 -0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.923 7.941 -0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.977 7.815 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.950 8.820 1.602 1.00 0.00 H new ATOM 903 N ILE A 53 3.878 1.397 -0.492 1.00 0.00 N ATOM 904 CA ILE A 53 3.888 0.250 0.402 1.00 0.00 C ATOM 905 C ILE A 53 3.988 -1.032 -0.402 1.00 0.00 C ATOM 906 O ILE A 53 4.885 -1.825 -0.174 1.00 0.00 O ATOM 907 CB ILE A 53 2.654 0.333 1.321 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.737 1.592 2.190 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.566 -0.840 2.278 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.460 1.918 2.916 1.00 0.00 C ATOM 0 H ILE A 53 2.978 1.877 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 53 4.764 0.253 1.050 1.00 0.00 H new ATOM 0 HB ILE A 53 1.784 0.339 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.536 1.465 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.012 2.438 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.679 -0.734 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.501 -1.768 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.454 -0.862 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.599 2.822 3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.661 2.078 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.194 1.090 3.573 1.00 0.00 H new ATOM 922 N LYS A 54 3.151 -1.246 -1.404 1.00 0.00 N ATOM 923 CA LYS A 54 3.225 -2.449 -2.213 1.00 0.00 C ATOM 924 C LYS A 54 4.600 -2.528 -2.899 1.00 0.00 C ATOM 925 O LYS A 54 5.111 -3.624 -3.095 1.00 0.00 O ATOM 926 CB LYS A 54 2.003 -2.545 -3.170 1.00 0.00 C ATOM 927 CG LYS A 54 2.194 -1.764 -4.491 1.00 0.00 C ATOM 928 CD LYS A 54 2.918 -2.539 -5.604 1.00 0.00 C ATOM 929 CE LYS A 54 1.929 -3.017 -6.673 1.00 0.00 C ATOM 930 NZ LYS A 54 2.574 -3.928 -7.642 1.00 0.00 N ATOM 0 H LYS A 54 2.411 -0.599 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 54 3.154 -3.338 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.813 -3.593 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.119 -2.166 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.215 -1.458 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.754 -0.853 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.675 -1.902 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.439 -3.396 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.093 -3.527 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.518 -2.156 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.876 -4.232 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.356 -3.433 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.944 -4.761 -7.142 1.00 0.00 H new ATOM 944 N THR A 55 5.242 -1.396 -3.213 1.00 0.00 N ATOM 945 CA THR A 55 6.607 -1.391 -3.715 1.00 0.00 C ATOM 946 C THR A 55 7.596 -1.839 -2.638 1.00 0.00 C ATOM 947 O THR A 55 8.536 -2.521 -3.006 1.00 0.00 O ATOM 948 CB THR A 55 6.924 -0.015 -4.310 1.00 0.00 C ATOM 949 OG1 THR A 55 6.251 0.086 -5.546 1.00 0.00 O ATOM 950 CG2 THR A 55 8.401 0.282 -4.562 1.00 0.00 C ATOM 0 H THR A 55 4.827 -0.468 -3.125 1.00 0.00 H new ATOM 0 HA THR A 55 6.710 -2.121 -4.518 1.00 0.00 H new ATOM 0 HB THR A 55 6.600 0.709 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.749 0.927 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.504 1.282 -4.983 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.949 0.226 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.805 -0.450 -5.261 1.00 0.00 H new ATOM 958 N ILE A 56 7.405 -1.568 -1.340 1.00 0.00 N ATOM 959 CA ILE A 56 8.313 -2.095 -0.311 1.00 0.00 C ATOM 960 C ILE A 56 8.354 -3.627 -0.338 1.00 0.00 C ATOM 961 O ILE A 56 9.441 -4.181 -0.180 1.00 0.00 O ATOM 962 CB ILE A 56 7.963 -1.516 1.077 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.413 -0.046 1.139 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.542 -2.327 2.249 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.897 0.146 1.479 1.00 0.00 C ATOM 0 H ILE A 56 6.641 -0.995 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 56 9.327 -1.765 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 56 6.881 -1.580 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.209 0.425 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.811 0.475 1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.255 -1.860 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.153 -3.345 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.629 -2.351 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.130 1.211 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.106 -0.293 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.510 -0.343 0.722 1.00 0.00 H new ATOM 977 N LEU A 57 7.215 -4.287 -0.601 1.00 0.00 N ATOM 978 CA LEU A 57 7.194 -5.722 -0.894 1.00 0.00 C ATOM 979 C LEU A 57 8.142 -5.995 -2.062 1.00 0.00 C ATOM 980 O LEU A 57 9.113 -6.732 -1.925 1.00 0.00 O ATOM 981 CB LEU A 57 5.777 -6.233 -1.133 1.00 0.00 C ATOM 982 CG LEU A 57 5.678 -7.752 -0.938 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.631 -8.601 -1.766 1.00 0.00 C ATOM 984 CD2 LEU A 57 5.668 -8.190 0.521 1.00 0.00 C ATOM 0 H LEU A 57 6.296 -3.845 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 57 7.548 -6.282 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.090 -5.733 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.464 -5.975 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 57 4.691 -7.960 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.467 -9.655 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.450 -8.423 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.660 -8.334 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.596 -9.276 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.588 -7.863 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.813 -7.744 1.029 1.00 0.00 H new ATOM 996 N ARG A 58 7.890 -5.371 -3.214 1.00 0.00 N ATOM 997 CA ARG A 58 8.653 -5.591 -4.441 1.00 0.00 C ATOM 998 C ARG A 58 10.157 -5.393 -4.233 1.00 0.00 C ATOM 999 O ARG A 58 10.937 -6.261 -4.605 1.00 0.00 O ATOM 1000 CB ARG A 58 8.091 -4.684 -5.549 1.00 0.00 C ATOM 1001 CG ARG A 58 7.847 -5.473 -6.839 1.00 0.00 C ATOM 1002 CD ARG A 58 9.142 -5.921 -7.536 1.00 0.00 C ATOM 1003 NE ARG A 58 9.313 -5.194 -8.798 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.075 -5.637 -10.034 1.00 0.00 C ATOM 1005 NH1 ARG A 58 8.845 -6.926 -10.274 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.060 -4.735 -11.011 1.00 0.00 N ATOM 0 H ARG A 58 7.139 -4.689 -3.321 1.00 0.00 H new ATOM 0 HA ARG A 58 8.540 -6.631 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.158 -4.232 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.788 -3.869 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.244 -6.352 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.267 -4.859 -7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.996 -5.739 -6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.109 -6.994 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 58 9.654 -4.236 -8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.848 -7.596 -9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.665 -7.243 -11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.226 -3.751 -10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.882 -5.027 -11.972 1.00 0.00 H new ATOM 1020 N GLU A 59 10.559 -4.296 -3.598 1.00 0.00 N ATOM 1021 CA GLU A 59 11.929 -3.941 -3.210 1.00 0.00 C ATOM 1022 C GLU A 59 12.557 -5.018 -2.320 1.00 0.00 C ATOM 1023 O GLU A 59 13.763 -5.005 -2.110 1.00 0.00 O ATOM 1024 CB GLU A 59 11.926 -2.611 -2.434 1.00 0.00 C ATOM 1025 CG GLU A 59 11.414 -1.429 -3.265 1.00 0.00 C ATOM 1026 CD GLU A 59 12.483 -0.700 -4.069 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.718 -1.098 -5.235 1.00 0.00 O ATOM 1028 OE2 GLU A 59 13.057 0.293 -3.558 1.00 0.00 O ATOM 0 H GLU A 59 9.891 -3.577 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 59 12.515 -3.850 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.305 -2.718 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.938 -2.395 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.648 -1.791 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.933 -0.715 -2.597 1.00 0.00 H new ATOM 1035 N ARG A 60 11.793 -5.948 -1.758 1.00 0.00 N ATOM 1036 CA ARG A 60 12.325 -7.084 -1.004 1.00 0.00 C ATOM 1037 C ARG A 60 12.264 -8.390 -1.780 1.00 0.00 C ATOM 1038 O ARG A 60 13.042 -9.281 -1.459 1.00 0.00 O ATOM 1039 CB ARG A 60 11.621 -7.173 0.352 1.00 0.00 C ATOM 1040 CG ARG A 60 12.023 -5.959 1.204 1.00 0.00 C ATOM 1041 CD ARG A 60 11.178 -5.859 2.465 1.00 0.00 C ATOM 1042 NE ARG A 60 11.437 -6.947 3.412 1.00 0.00 N ATOM 1043 CZ ARG A 60 12.403 -7.011 4.332 1.00 0.00 C ATOM 1044 NH1 ARG A 60 13.376 -6.104 4.376 1.00 0.00 N ATOM 1045 NH2 ARG A 60 12.376 -7.991 5.219 1.00 0.00 N ATOM 0 H ARG A 60 10.774 -5.937 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 60 13.387 -6.911 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.540 -7.195 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.897 -8.097 0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.076 -6.036 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.911 -5.048 0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.374 -4.904 2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.123 -5.866 2.191 1.00 0.00 H new ATOM 0 HE ARG A 60 10.807 -7.748 3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.393 -5.341 3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.104 -6.171 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.626 -8.682 5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.105 -8.056 5.929 1.00 0.00 H new ATOM 1059 N GLU A 61 11.471 -8.468 -2.849 1.00 0.00 N ATOM 1060 CA GLU A 61 11.495 -9.598 -3.775 1.00 0.00 C ATOM 1061 C GLU A 61 12.883 -9.672 -4.441 1.00 0.00 C ATOM 1062 O GLU A 61 13.509 -10.737 -4.441 1.00 0.00 O ATOM 1063 CB GLU A 61 10.326 -9.555 -4.783 1.00 0.00 C ATOM 1064 CG GLU A 61 8.940 -9.512 -4.100 1.00 0.00 C ATOM 1065 CD GLU A 61 7.746 -9.516 -5.070 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.772 -8.877 -6.146 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.675 -10.068 -4.716 1.00 0.00 O ATOM 0 H GLU A 61 10.793 -7.747 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 61 11.339 -10.523 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.437 -8.679 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.379 -10.431 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.852 -10.370 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.883 -8.618 -3.479 1.00 0.00 H new ATOM 1074 N LEU A 62 13.433 -8.548 -4.936 1.00 0.00 N ATOM 1075 CA LEU A 62 14.786 -8.525 -5.490 1.00 0.00 C ATOM 1076 C LEU A 62 15.860 -8.299 -4.416 1.00 0.00 C ATOM 1077 O LEU A 62 17.037 -8.569 -4.652 1.00 0.00 O ATOM 1078 CB LEU A 62 14.957 -7.444 -6.578 1.00 0.00 C ATOM 1079 CG LEU A 62 13.754 -6.958 -7.418 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.685 -7.990 -7.806 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.150 -5.686 -6.814 1.00 0.00 C ATOM 0 H LEU A 62 12.956 -7.647 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 62 14.923 -9.512 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.381 -6.566 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.706 -7.813 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 62 14.196 -6.736 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.905 -7.504 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.143 -8.783 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.247 -8.417 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.305 -5.361 -7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.810 -5.891 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.905 -4.900 -6.792 1.00 0.00 H new ATOM 1093 N GLY A 63 15.510 -7.739 -3.257 1.00 0.00 N ATOM 1094 CA GLY A 63 16.488 -7.267 -2.280 1.00 0.00 C ATOM 1095 C GLY A 63 17.136 -5.962 -2.717 1.00 0.00 C ATOM 1096 O GLY A 63 18.352 -5.883 -2.897 1.00 0.00 O ATOM 0 H GLY A 63 14.541 -7.601 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.000 -7.126 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.257 -8.026 -2.140 1.00 0.00 H new ATOM 1100 N ILE A 64 16.318 -4.940 -2.919 1.00 0.00 N ATOM 1101 CA ILE A 64 16.669 -3.537 -2.895 1.00 0.00 C ATOM 1102 C ILE A 64 16.593 -2.998 -1.451 1.00 0.00 C ATOM 1103 O ILE A 64 17.068 -1.904 -1.152 1.00 0.00 O ATOM 1104 CB ILE A 64 15.678 -2.809 -3.829 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.764 -3.298 -5.286 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.799 -1.289 -3.760 1.00 0.00 C ATOM 1107 CD1 ILE A 64 17.027 -2.854 -6.016 1.00 0.00 C ATOM 0 H ILE A 64 15.328 -5.083 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 64 17.690 -3.374 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 64 14.690 -3.072 -3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.714 -4.387 -5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.894 -2.934 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.077 -0.835 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.600 -0.954 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.806 -0.991 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.012 -3.239 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.070 -1.765 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.903 -3.240 -5.495 1.00 0.00 H new