USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.063) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.38! C(o=-2.4!,f=-3.7!) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.197 (180deg=-0.521) USER MOD Single : A 18 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 35 CYS SG : rot 69:sc= -0.399 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -88:sc= 0.0614 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -105:sc= -4.57! (180deg=-8.18!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 ASN : amide:sc= 0.0338 K(o=0.034,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.751 USER MOD Single : A 58 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.066) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 142:sc= -2.56 (180deg=-8.57!) USER MOD Single : A 81 MET CE :methyl -163:sc= -0.0339 (180deg=-0.175) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.974 -3.687 -18.531 1.00 0.00 N ATOM 47 CA ILE A 4 8.050 -4.787 -18.256 1.00 0.00 C ATOM 48 C ILE A 4 6.661 -4.241 -17.914 1.00 0.00 C ATOM 49 O ILE A 4 5.660 -4.930 -18.096 1.00 0.00 O ATOM 50 CB ILE A 4 8.559 -5.687 -17.111 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.311 -5.022 -15.750 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.060 -5.941 -17.286 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.911 -5.389 -15.249 1.00 0.00 C ATOM 0 HA ILE A 4 7.987 -5.396 -19.158 1.00 0.00 H new ATOM 0 HB ILE A 4 8.017 -6.632 -17.145 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.063 -5.348 -15.032 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.404 -3.940 -15.840 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.418 -6.577 -16.476 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.236 -6.436 -18.241 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.595 -4.991 -17.265 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.735 -4.917 -14.283 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.166 -5.041 -15.964 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.834 -6.471 -15.143 1.00 0.00 H new ATOM 65 N TYR A 5 6.613 -2.992 -17.426 1.00 0.00 N ATOM 66 CA TYR A 5 5.336 -2.362 -17.073 1.00 0.00 C ATOM 67 C TYR A 5 4.457 -2.248 -18.315 1.00 0.00 C ATOM 68 O TYR A 5 3.232 -2.359 -18.244 1.00 0.00 O ATOM 69 CB TYR A 5 5.557 -0.951 -16.495 1.00 0.00 C ATOM 70 CG TYR A 5 6.385 -0.997 -15.221 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.859 -2.215 -14.715 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.684 0.195 -14.552 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.625 -2.241 -13.550 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.450 0.168 -13.382 1.00 0.00 C ATOM 75 CZ TYR A 5 7.922 -1.050 -12.879 1.00 0.00 C ATOM 76 OH TYR A 5 8.678 -1.076 -11.724 1.00 0.00 O ATOM 0 H TYR A 5 7.433 -2.406 -17.269 1.00 0.00 H new ATOM 0 HA TYR A 5 4.851 -2.984 -16.320 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.059 -0.328 -17.235 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.593 -0.486 -16.288 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.630 -3.137 -15.229 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.323 1.136 -14.939 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.989 -3.182 -13.165 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.678 1.089 -12.866 1.00 0.00 H new ATOM 0 HH TYR A 5 8.792 -0.163 -11.387 1.00 0.00 H new ATOM 86 N LYS A 6 5.113 -2.039 -19.460 1.00 0.00 N ATOM 87 CA LYS A 6 4.407 -1.924 -20.738 1.00 0.00 C ATOM 88 C LYS A 6 4.047 -3.311 -21.252 1.00 0.00 C ATOM 89 O LYS A 6 2.959 -3.530 -21.787 1.00 0.00 O ATOM 90 CB LYS A 6 5.275 -1.208 -21.786 1.00 0.00 C ATOM 91 CG LYS A 6 5.935 0.036 -21.172 1.00 0.00 C ATOM 92 CD LYS A 6 4.909 0.814 -20.340 1.00 0.00 C ATOM 93 CE LYS A 6 5.619 1.904 -19.534 1.00 0.00 C ATOM 94 NZ LYS A 6 4.679 3.037 -19.290 1.00 0.00 N ATOM 0 H LYS A 6 6.127 -1.946 -19.528 1.00 0.00 H new ATOM 0 HA LYS A 6 3.502 -1.339 -20.574 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.041 -1.888 -22.159 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.662 -0.919 -22.640 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.776 -0.260 -20.545 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.335 0.673 -21.961 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.160 1.261 -20.994 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.382 0.136 -19.668 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.970 1.499 -18.585 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.497 2.257 -20.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.162 3.777 -18.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.365 3.429 -20.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.854 2.695 -18.757 1.00 0.00 H new ATOM 108 N ALA A 7 4.976 -4.250 -21.069 1.00 0.00 N ATOM 109 CA ALA A 7 4.756 -5.633 -21.499 1.00 0.00 C ATOM 110 C ALA A 7 3.660 -6.301 -20.656 1.00 0.00 C ATOM 111 O ALA A 7 2.956 -7.193 -21.134 1.00 0.00 O ATOM 112 CB ALA A 7 6.048 -6.445 -21.369 1.00 0.00 C ATOM 0 H ALA A 7 5.881 -4.081 -20.630 1.00 0.00 H new ATOM 0 HA ALA A 7 4.441 -5.609 -22.542 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.868 -7.470 -21.692 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.823 -5.999 -21.993 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.375 -6.445 -20.329 1.00 0.00 H new ATOM 118 N ALA A 8 3.526 -5.862 -19.396 1.00 0.00 N ATOM 119 CA ALA A 8 2.523 -6.427 -18.490 1.00 0.00 C ATOM 120 C ALA A 8 1.143 -5.796 -18.710 1.00 0.00 C ATOM 121 O ALA A 8 0.123 -6.452 -18.498 1.00 0.00 O ATOM 122 CB ALA A 8 2.933 -6.209 -17.031 1.00 0.00 C ATOM 0 H ALA A 8 4.097 -5.123 -18.986 1.00 0.00 H new ATOM 0 HA ALA A 8 2.463 -7.494 -18.707 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.176 -6.635 -16.373 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.891 -6.696 -16.846 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.025 -5.141 -16.835 1.00 0.00 H new ATOM 128 N VAL A 9 1.117 -4.521 -19.125 1.00 0.00 N ATOM 129 CA VAL A 9 -0.157 -3.824 -19.355 1.00 0.00 C ATOM 130 C VAL A 9 -1.033 -4.578 -20.365 1.00 0.00 C ATOM 131 O VAL A 9 -2.261 -4.544 -20.278 1.00 0.00 O ATOM 132 CB VAL A 9 0.086 -2.382 -19.842 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.292 -2.347 -21.362 1.00 0.00 C ATOM 134 CG2 VAL A 9 -1.122 -1.516 -19.476 1.00 0.00 C ATOM 0 H VAL A 9 1.949 -3.959 -19.306 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.685 -3.789 -18.402 1.00 0.00 H new ATOM 0 HB VAL A 9 0.985 -1.998 -19.360 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.462 -1.319 -21.683 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.156 -2.957 -21.626 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.595 -2.740 -21.859 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.955 -0.495 -19.818 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.016 -1.917 -19.954 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.257 -1.518 -18.394 1.00 0.00 H new ATOM 144 N GLU A 10 -0.387 -5.268 -21.313 1.00 0.00 N ATOM 145 CA GLU A 10 -1.118 -6.037 -22.324 1.00 0.00 C ATOM 146 C GLU A 10 -1.837 -7.226 -21.681 1.00 0.00 C ATOM 147 O GLU A 10 -2.873 -7.676 -22.176 1.00 0.00 O ATOM 148 CB GLU A 10 -0.162 -6.563 -23.400 1.00 0.00 C ATOM 149 CG GLU A 10 0.417 -5.394 -24.205 1.00 0.00 C ATOM 150 CD GLU A 10 -0.684 -4.737 -25.034 1.00 0.00 C ATOM 151 OE1 GLU A 10 -1.021 -5.282 -26.074 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.174 -3.700 -24.617 1.00 0.00 O ATOM 0 H GLU A 10 0.628 -5.309 -21.400 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.850 -5.370 -22.781 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.645 -7.130 -22.935 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.690 -7.246 -24.065 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.862 -4.662 -23.531 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.213 -5.750 -24.859 1.00 0.00 H new ATOM 159 N GLN A 11 -1.281 -7.727 -20.572 1.00 0.00 N ATOM 160 CA GLN A 11 -1.878 -8.864 -19.866 1.00 0.00 C ATOM 161 C GLN A 11 -3.016 -8.394 -18.964 1.00 0.00 C ATOM 162 O GLN A 11 -4.060 -9.043 -18.872 1.00 0.00 O ATOM 163 CB GLN A 11 -0.827 -9.588 -19.018 1.00 0.00 C ATOM 164 CG GLN A 11 0.290 -10.119 -19.922 1.00 0.00 C ATOM 165 CD GLN A 11 -0.215 -11.325 -20.712 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.183 -12.454 -20.222 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.684 -11.152 -21.920 1.00 0.00 N ATOM 0 H GLN A 11 -0.426 -7.366 -20.148 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.270 -9.554 -20.614 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.413 -8.907 -18.275 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.289 -10.411 -18.473 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.620 -9.337 -20.606 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.154 -10.402 -19.321 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.711 -10.217 -22.327 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.023 -11.952 -22.455 1.00 0.00 H new ATOM 176 N LEU A 12 -2.803 -7.253 -18.306 1.00 0.00 N ATOM 177 CA LEU A 12 -3.815 -6.687 -17.415 1.00 0.00 C ATOM 178 C LEU A 12 -4.940 -6.040 -18.226 1.00 0.00 C ATOM 179 O LEU A 12 -4.834 -5.885 -19.446 1.00 0.00 O ATOM 180 CB LEU A 12 -3.188 -5.632 -16.500 1.00 0.00 C ATOM 181 CG LEU A 12 -2.041 -6.136 -15.616 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.790 -5.295 -15.875 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.439 -6.022 -14.141 1.00 0.00 C ATOM 0 H LEU A 12 -1.944 -6.706 -18.373 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.224 -7.496 -16.810 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.818 -4.813 -17.116 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.967 -5.221 -15.858 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.833 -7.179 -15.853 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.026 -5.653 -15.247 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.505 -5.380 -16.924 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.998 -4.251 -15.640 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.622 -6.381 -13.515 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.650 -4.980 -13.900 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.329 -6.624 -13.957 1.00 0.00 H new ATOM 195 N THR A 13 -6.019 -5.669 -17.534 1.00 0.00 N ATOM 196 CA THR A 13 -7.165 -5.040 -18.196 1.00 0.00 C ATOM 197 C THR A 13 -7.538 -3.734 -17.505 1.00 0.00 C ATOM 198 O THR A 13 -7.003 -3.398 -16.448 1.00 0.00 O ATOM 199 CB THR A 13 -8.389 -5.970 -18.170 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.324 -6.826 -17.035 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.423 -6.809 -19.445 1.00 0.00 C ATOM 0 H THR A 13 -6.124 -5.791 -16.527 1.00 0.00 H new ATOM 0 HA THR A 13 -6.875 -4.842 -19.228 1.00 0.00 H new ATOM 0 HB THR A 13 -9.295 -5.366 -18.110 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.108 -7.414 -17.024 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.291 -7.467 -19.424 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.487 -6.151 -20.312 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.515 -7.408 -19.511 1.00 0.00 H new ATOM 209 N ASP A 14 -8.481 -3.012 -18.110 1.00 0.00 N ATOM 210 CA ASP A 14 -8.950 -1.751 -17.539 1.00 0.00 C ATOM 211 C ASP A 14 -9.587 -1.997 -16.169 1.00 0.00 C ATOM 212 O ASP A 14 -9.559 -1.130 -15.297 1.00 0.00 O ATOM 213 CB ASP A 14 -9.985 -1.099 -18.456 1.00 0.00 C ATOM 214 CG ASP A 14 -10.047 0.401 -18.176 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.088 1.086 -18.493 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.054 0.843 -17.648 1.00 0.00 O ATOM 0 H ASP A 14 -8.931 -3.276 -18.987 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.092 -1.087 -17.433 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.722 -1.274 -19.499 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.964 -1.550 -18.294 1.00 0.00 H new ATOM 221 N GLU A 15 -10.160 -3.198 -16.001 1.00 0.00 N ATOM 222 CA GLU A 15 -10.807 -3.577 -14.741 1.00 0.00 C ATOM 223 C GLU A 15 -9.835 -3.465 -13.562 1.00 0.00 C ATOM 224 O GLU A 15 -10.215 -3.012 -12.482 1.00 0.00 O ATOM 225 CB GLU A 15 -11.328 -5.016 -14.819 1.00 0.00 C ATOM 226 CG GLU A 15 -12.592 -5.061 -15.685 1.00 0.00 C ATOM 227 CD GLU A 15 -12.244 -5.597 -17.073 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.749 -4.826 -17.880 1.00 0.00 O ATOM 229 OE2 GLU A 15 -12.477 -6.770 -17.309 1.00 0.00 O ATOM 0 H GLU A 15 -10.187 -3.920 -16.721 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.639 -2.890 -14.582 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.563 -5.668 -15.241 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.547 -5.388 -13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.343 -5.697 -15.217 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.024 -4.064 -15.767 1.00 0.00 H new ATOM 236 N GLN A 16 -8.576 -3.874 -13.777 1.00 0.00 N ATOM 237 CA GLN A 16 -7.568 -3.799 -12.711 1.00 0.00 C ATOM 238 C GLN A 16 -7.358 -2.345 -12.274 1.00 0.00 C ATOM 239 O GLN A 16 -7.134 -2.069 -11.093 1.00 0.00 O ATOM 240 CB GLN A 16 -6.231 -4.426 -13.163 1.00 0.00 C ATOM 241 CG GLN A 16 -5.429 -3.455 -14.046 1.00 0.00 C ATOM 242 CD GLN A 16 -4.263 -2.865 -13.252 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.425 -2.459 -12.100 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.082 -2.790 -13.806 1.00 0.00 N ATOM 0 H GLN A 16 -8.237 -4.253 -14.661 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.936 -4.370 -11.859 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.640 -4.698 -12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.426 -5.346 -13.714 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.053 -3.977 -14.926 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.078 -2.655 -14.403 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.944 -3.125 -14.759 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.298 -2.396 -13.285 1.00 0.00 H new ATOM 253 N LYS A 17 -7.460 -1.418 -13.234 1.00 0.00 N ATOM 254 CA LYS A 17 -7.305 0.005 -12.933 1.00 0.00 C ATOM 255 C LYS A 17 -8.607 0.565 -12.355 1.00 0.00 C ATOM 256 O LYS A 17 -8.586 1.503 -11.558 1.00 0.00 O ATOM 257 CB LYS A 17 -6.930 0.791 -14.192 1.00 0.00 C ATOM 258 CG LYS A 17 -5.413 1.008 -14.225 1.00 0.00 C ATOM 259 CD LYS A 17 -4.764 -0.027 -15.150 1.00 0.00 C ATOM 260 CE LYS A 17 -4.642 0.548 -16.565 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.820 0.134 -17.382 1.00 0.00 N ATOM 0 H LYS A 17 -7.647 -1.627 -14.215 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.504 0.110 -12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.250 0.248 -15.081 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.446 1.751 -14.202 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.187 2.015 -14.575 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.001 0.920 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.779 -0.299 -14.772 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.362 -0.938 -15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.582 1.635 -16.522 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.722 0.196 -17.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.620 0.301 -18.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.010 -0.877 -17.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.652 0.689 -17.097 1.00 0.00 H new ATOM 275 N ASN A 18 -9.740 -0.033 -12.752 1.00 0.00 N ATOM 276 CA ASN A 18 -11.047 0.396 -12.255 1.00 0.00 C ATOM 277 C ASN A 18 -11.144 0.125 -10.753 1.00 0.00 C ATOM 278 O ASN A 18 -11.561 0.988 -9.979 1.00 0.00 O ATOM 279 CB ASN A 18 -12.168 -0.362 -12.978 1.00 0.00 C ATOM 280 CG ASN A 18 -12.587 0.405 -14.230 1.00 0.00 C ATOM 281 OD1 ASN A 18 -12.940 1.583 -14.158 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.572 -0.200 -15.387 1.00 0.00 N ATOM 0 H ASN A 18 -9.774 -0.810 -13.412 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.157 1.464 -12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.827 -1.361 -13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.023 -0.486 -12.313 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.852 0.303 -16.229 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.280 -1.175 -15.449 1.00 0.00 H new ATOM 289 N GLU A 19 -10.728 -1.085 -10.351 1.00 0.00 N ATOM 290 CA GLU A 19 -10.744 -1.466 -8.935 1.00 0.00 C ATOM 291 C GLU A 19 -9.741 -0.613 -8.165 1.00 0.00 C ATOM 292 O GLU A 19 -10.037 -0.109 -7.081 1.00 0.00 O ATOM 293 CB GLU A 19 -10.370 -2.942 -8.759 1.00 0.00 C ATOM 294 CG GLU A 19 -11.372 -3.825 -9.506 1.00 0.00 C ATOM 295 CD GLU A 19 -11.470 -5.183 -8.815 1.00 0.00 C ATOM 296 OE1 GLU A 19 -10.691 -6.057 -9.157 1.00 0.00 O ATOM 297 OE2 GLU A 19 -12.323 -5.328 -7.955 1.00 0.00 O ATOM 0 H GLU A 19 -10.380 -1.808 -10.980 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.752 -1.307 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.363 -3.119 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.363 -3.201 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.350 -3.345 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.057 -3.954 -10.542 1.00 0.00 H new ATOM 304 N PHE A 20 -8.550 -0.456 -8.751 1.00 0.00 N ATOM 305 CA PHE A 20 -7.489 0.346 -8.136 1.00 0.00 C ATOM 306 C PHE A 20 -7.940 1.799 -7.970 1.00 0.00 C ATOM 307 O PHE A 20 -7.660 2.429 -6.950 1.00 0.00 O ATOM 308 CB PHE A 20 -6.221 0.312 -9.003 1.00 0.00 C ATOM 309 CG PHE A 20 -5.391 -0.916 -8.686 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.971 -2.036 -8.075 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.030 -0.929 -9.013 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.191 -3.162 -7.792 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.251 -2.054 -8.730 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.832 -3.172 -8.119 1.00 0.00 C ATOM 0 H PHE A 20 -8.297 -0.872 -9.647 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.272 -0.079 -7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.495 0.310 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.631 1.212 -8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.021 -2.030 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.581 -0.068 -9.485 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.639 -4.024 -7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.201 -2.061 -8.982 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.230 -4.042 -7.900 1.00 0.00 H new ATOM 324 N LYS A 21 -8.643 2.318 -8.983 1.00 0.00 N ATOM 325 CA LYS A 21 -9.138 3.697 -8.945 1.00 0.00 C ATOM 326 C LYS A 21 -10.165 3.865 -7.826 1.00 0.00 C ATOM 327 O LYS A 21 -10.123 4.839 -7.078 1.00 0.00 O ATOM 328 CB LYS A 21 -9.779 4.080 -10.286 1.00 0.00 C ATOM 329 CG LYS A 21 -10.120 5.576 -10.296 1.00 0.00 C ATOM 330 CD LYS A 21 -8.846 6.402 -10.096 1.00 0.00 C ATOM 331 CE LYS A 21 -9.082 7.832 -10.591 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.774 8.527 -10.765 1.00 0.00 N ATOM 0 H LYS A 21 -8.880 1.807 -9.833 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.289 4.354 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.097 3.849 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.682 3.492 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.593 5.844 -11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.837 5.800 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.568 6.412 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.017 5.949 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.624 7.815 -11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.702 8.376 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.938 9.497 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.273 8.556 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.197 8.013 -11.461 1.00 0.00 H new ATOM 346 N ALA A 22 -11.081 2.897 -7.712 1.00 0.00 N ATOM 347 CA ALA A 22 -12.107 2.946 -6.666 1.00 0.00 C ATOM 348 C ALA A 22 -11.457 2.806 -5.289 1.00 0.00 C ATOM 349 O ALA A 22 -11.786 3.543 -4.361 1.00 0.00 O ATOM 350 CB ALA A 22 -13.130 1.823 -6.855 1.00 0.00 C ATOM 0 H ALA A 22 -11.133 2.081 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.618 3.906 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.882 1.879 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.613 1.931 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.625 0.858 -6.806 1.00 0.00 H new ATOM 356 N ALA A 23 -10.515 1.861 -5.181 1.00 0.00 N ATOM 357 CA ALA A 23 -9.795 1.632 -3.925 1.00 0.00 C ATOM 358 C ALA A 23 -8.967 2.865 -3.546 1.00 0.00 C ATOM 359 O ALA A 23 -8.678 3.095 -2.370 1.00 0.00 O ATOM 360 CB ALA A 23 -8.862 0.425 -4.055 1.00 0.00 C ATOM 0 H ALA A 23 -10.235 1.246 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.533 1.439 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.335 0.269 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.447 -0.463 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.139 0.608 -4.849 1.00 0.00 H new ATOM 366 N PHE A 24 -8.596 3.658 -4.557 1.00 0.00 N ATOM 367 CA PHE A 24 -7.814 4.868 -4.332 1.00 0.00 C ATOM 368 C PHE A 24 -8.742 6.022 -3.940 1.00 0.00 C ATOM 369 O PHE A 24 -8.561 6.647 -2.898 1.00 0.00 O ATOM 370 CB PHE A 24 -7.046 5.243 -5.609 1.00 0.00 C ATOM 371 CG PHE A 24 -5.809 6.045 -5.269 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.601 5.393 -4.985 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.869 7.443 -5.252 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.457 6.142 -4.683 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.725 8.192 -4.947 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.519 7.541 -4.662 1.00 0.00 C ATOM 0 H PHE A 24 -8.826 3.480 -5.535 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.104 4.683 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.763 4.339 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.690 5.821 -6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.553 4.314 -4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.799 7.945 -5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.526 5.640 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.774 9.271 -4.932 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.637 8.117 -4.426 1.00 0.00 H new ATOM 386 N ASP A 25 -9.737 6.289 -4.798 1.00 0.00 N ATOM 387 CA ASP A 25 -10.702 7.375 -4.568 1.00 0.00 C ATOM 388 C ASP A 25 -11.341 7.313 -3.178 1.00 0.00 C ATOM 389 O ASP A 25 -11.498 8.344 -2.522 1.00 0.00 O ATOM 390 CB ASP A 25 -11.815 7.333 -5.621 1.00 0.00 C ATOM 391 CG ASP A 25 -11.397 8.149 -6.841 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.673 7.618 -7.666 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.806 9.295 -6.931 1.00 0.00 O ATOM 0 H ASP A 25 -9.895 5.767 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.139 8.306 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.015 6.302 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.740 7.732 -5.204 1.00 0.00 H new ATOM 398 N ILE A 26 -11.718 6.106 -2.733 1.00 0.00 N ATOM 399 CA ILE A 26 -12.348 5.955 -1.412 1.00 0.00 C ATOM 400 C ILE A 26 -11.452 6.534 -0.311 1.00 0.00 C ATOM 401 O ILE A 26 -11.942 7.118 0.658 1.00 0.00 O ATOM 402 CB ILE A 26 -12.648 4.480 -1.104 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.363 3.650 -1.228 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.700 3.958 -2.089 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.657 2.184 -0.909 1.00 0.00 C ATOM 0 H ILE A 26 -11.602 5.237 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.288 6.507 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.029 4.393 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.959 3.738 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.604 4.034 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.914 2.912 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.614 4.544 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.321 4.047 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.740 1.601 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.040 2.103 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.400 1.801 -1.608 1.00 0.00 H new ATOM 417 N PHE A 27 -10.136 6.374 -0.478 1.00 0.00 N ATOM 418 CA PHE A 27 -9.174 6.891 0.497 1.00 0.00 C ATOM 419 C PHE A 27 -8.851 8.365 0.222 1.00 0.00 C ATOM 420 O PHE A 27 -8.507 9.112 1.140 1.00 0.00 O ATOM 421 CB PHE A 27 -7.875 6.082 0.452 1.00 0.00 C ATOM 422 CG PHE A 27 -7.979 4.897 1.385 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.527 3.691 0.930 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.526 5.004 2.706 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.624 2.594 1.794 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.623 3.907 3.570 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.171 2.702 3.113 1.00 0.00 C ATOM 0 H PHE A 27 -9.715 5.894 -1.274 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.628 6.801 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.683 5.740 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.033 6.711 0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.875 3.607 -0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.102 5.933 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.048 1.665 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.275 3.990 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.244 1.855 3.780 1.00 0.00 H new ATOM 437 N ILE A 28 -8.960 8.778 -1.051 1.00 0.00 N ATOM 438 CA ILE A 28 -8.668 10.168 -1.428 1.00 0.00 C ATOM 439 C ILE A 28 -9.943 11.024 -1.407 1.00 0.00 C ATOM 440 O ILE A 28 -10.064 11.999 -2.153 1.00 0.00 O ATOM 441 CB ILE A 28 -8.038 10.237 -2.834 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.941 9.175 -2.994 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.411 11.613 -3.066 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.143 9.021 -1.696 1.00 0.00 C ATOM 0 H ILE A 28 -9.244 8.178 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.961 10.560 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.831 10.057 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.390 8.220 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.272 9.456 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.970 11.649 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.179 12.382 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.637 11.791 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.371 8.264 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.677 9.973 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.812 8.717 -0.891 1.00 0.00 H new ATOM 456 N GLN A 29 -10.888 10.668 -0.529 1.00 0.00 N ATOM 457 CA GLN A 29 -12.134 11.433 -0.414 1.00 0.00 C ATOM 458 C GLN A 29 -11.839 12.838 0.124 1.00 0.00 C ATOM 459 O GLN A 29 -12.506 13.808 -0.238 1.00 0.00 O ATOM 460 CB GLN A 29 -13.140 10.731 0.512 1.00 0.00 C ATOM 461 CG GLN A 29 -12.500 10.428 1.873 1.00 0.00 C ATOM 462 CD GLN A 29 -13.588 10.316 2.937 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.249 11.302 3.266 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.817 9.162 3.504 1.00 0.00 N ATOM 0 H GLN A 29 -10.816 9.870 0.102 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.574 11.503 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.018 11.362 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.482 9.805 0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.932 9.499 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.797 11.217 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.271 8.344 3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.542 9.079 4.217 1.00 0.00 H new ATOM 473 N ASP A 30 -10.818 12.927 0.986 1.00 0.00 N ATOM 474 CA ASP A 30 -10.413 14.205 1.571 1.00 0.00 C ATOM 475 C ASP A 30 -8.956 14.123 2.045 1.00 0.00 C ATOM 476 O ASP A 30 -8.623 14.524 3.165 1.00 0.00 O ATOM 477 CB ASP A 30 -11.323 14.566 2.754 1.00 0.00 C ATOM 478 CG ASP A 30 -11.444 16.083 2.862 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.226 16.650 2.116 1.00 0.00 O ATOM 480 OD2 ASP A 30 -10.755 16.656 3.689 1.00 0.00 O ATOM 0 H ASP A 30 -10.260 12.129 1.291 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.503 14.980 0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.309 14.121 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.915 14.157 3.678 1.00 0.00 H new ATOM 485 N ALA A 31 -8.089 13.591 1.174 1.00 0.00 N ATOM 486 CA ALA A 31 -6.669 13.447 1.500 1.00 0.00 C ATOM 487 C ALA A 31 -5.956 14.799 1.444 1.00 0.00 C ATOM 488 O ALA A 31 -6.345 15.695 0.690 1.00 0.00 O ATOM 489 CB ALA A 31 -5.989 12.486 0.524 1.00 0.00 C ATOM 0 H ALA A 31 -8.346 13.256 0.245 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.602 13.048 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.934 12.391 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.466 11.508 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.081 12.873 -0.491 1.00 0.00 H new ATOM 495 N GLU A 32 -4.906 14.929 2.257 1.00 0.00 N ATOM 496 CA GLU A 32 -4.126 16.172 2.314 1.00 0.00 C ATOM 497 C GLU A 32 -3.309 16.379 1.035 1.00 0.00 C ATOM 498 O GLU A 32 -3.172 17.505 0.553 1.00 0.00 O ATOM 499 CB GLU A 32 -3.178 16.164 3.522 1.00 0.00 C ATOM 500 CG GLU A 32 -2.184 14.998 3.416 1.00 0.00 C ATOM 501 CD GLU A 32 -1.735 14.582 4.813 1.00 0.00 C ATOM 502 OE1 GLU A 32 -2.386 13.728 5.393 1.00 0.00 O ATOM 503 OE2 GLU A 32 -0.746 15.122 5.282 1.00 0.00 O ATOM 0 H GLU A 32 -4.575 14.195 2.883 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.836 16.993 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.636 17.108 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.754 16.077 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.650 14.155 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.322 15.295 2.819 1.00 0.00 H new ATOM 510 N ASP A 33 -2.766 15.285 0.495 1.00 0.00 N ATOM 511 CA ASP A 33 -1.960 15.360 -0.724 1.00 0.00 C ATOM 512 C ASP A 33 -2.626 14.600 -1.881 1.00 0.00 C ATOM 513 O ASP A 33 -1.975 14.283 -2.880 1.00 0.00 O ATOM 514 CB ASP A 33 -0.569 14.766 -0.466 1.00 0.00 C ATOM 515 CG ASP A 33 0.452 15.400 -1.408 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.748 16.571 -1.231 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.926 14.704 -2.291 1.00 0.00 O ATOM 0 H ASP A 33 -2.869 14.346 0.879 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.872 16.410 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.277 14.939 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.592 13.686 -0.615 1.00 0.00 H new ATOM 522 N GLY A 34 -3.927 14.306 -1.741 1.00 0.00 N ATOM 523 CA GLY A 34 -4.656 13.576 -2.782 1.00 0.00 C ATOM 524 C GLY A 34 -4.073 12.174 -2.983 1.00 0.00 C ATOM 525 O GLY A 34 -4.089 11.638 -4.092 1.00 0.00 O ATOM 0 H GLY A 34 -4.488 14.560 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.708 13.500 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.610 14.130 -3.719 1.00 0.00 H new ATOM 529 N CYS A 35 -3.553 11.592 -1.896 1.00 0.00 N ATOM 530 CA CYS A 35 -2.956 10.257 -1.950 1.00 0.00 C ATOM 531 C CYS A 35 -3.249 9.490 -0.663 1.00 0.00 C ATOM 532 O CYS A 35 -3.871 10.019 0.263 1.00 0.00 O ATOM 533 CB CYS A 35 -1.438 10.359 -2.124 1.00 0.00 C ATOM 534 SG CYS A 35 -1.055 11.289 -3.628 1.00 0.00 S ATOM 0 H CYS A 35 -3.535 12.025 -0.972 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.390 9.729 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.996 10.852 -1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.001 9.362 -2.181 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.384 12.536 -3.463 1.00 0.00 H new ATOM 540 N ILE A 36 -2.783 8.242 -0.607 1.00 0.00 N ATOM 541 CA ILE A 36 -2.991 7.416 0.580 1.00 0.00 C ATOM 542 C ILE A 36 -1.704 7.368 1.405 1.00 0.00 C ATOM 543 O ILE A 36 -0.685 7.939 1.017 1.00 0.00 O ATOM 544 CB ILE A 36 -3.415 5.991 0.192 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.347 5.351 -0.701 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.746 6.040 -0.563 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.686 4.193 0.045 1.00 0.00 C ATOM 0 H ILE A 36 -2.266 7.787 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.790 7.860 1.173 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.529 5.395 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.799 4.991 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.598 6.093 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.046 5.029 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.510 6.484 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.631 6.642 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.926 3.738 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.220 4.566 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.439 3.448 0.301 1.00 0.00 H new ATOM 559 N SER A 37 -1.758 6.683 2.544 1.00 0.00 N ATOM 560 CA SER A 37 -0.587 6.573 3.408 1.00 0.00 C ATOM 561 C SER A 37 0.187 5.299 3.085 1.00 0.00 C ATOM 562 O SER A 37 -0.404 4.247 2.827 1.00 0.00 O ATOM 563 CB SER A 37 -1.000 6.554 4.881 1.00 0.00 C ATOM 564 OG SER A 37 0.094 6.985 5.681 1.00 0.00 O ATOM 0 H SER A 37 -2.589 6.201 2.887 1.00 0.00 H new ATOM 0 HA SER A 37 0.048 7.441 3.229 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.859 7.206 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.305 5.549 5.172 1.00 0.00 H new ATOM 0 HG SER A 37 -0.168 6.976 6.625 1.00 0.00 H new ATOM 570 N THR A 38 1.514 5.409 3.109 1.00 0.00 N ATOM 571 CA THR A 38 2.381 4.259 2.827 1.00 0.00 C ATOM 572 C THR A 38 2.049 3.093 3.763 1.00 0.00 C ATOM 573 O THR A 38 2.032 1.936 3.346 1.00 0.00 O ATOM 574 CB THR A 38 3.858 4.636 2.997 1.00 0.00 C ATOM 575 OG1 THR A 38 4.026 5.397 4.187 1.00 0.00 O ATOM 576 CG2 THR A 38 4.317 5.461 1.792 1.00 0.00 C ATOM 0 H THR A 38 2.012 6.274 3.319 1.00 0.00 H new ATOM 0 HA THR A 38 2.205 3.956 1.795 1.00 0.00 H new ATOM 0 HB THR A 38 4.456 3.727 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.896 6.348 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.367 5.729 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.195 4.874 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.717 6.368 1.722 1.00 0.00 H new ATOM 584 N LYS A 39 1.777 3.418 5.032 1.00 0.00 N ATOM 585 CA LYS A 39 1.434 2.397 6.028 1.00 0.00 C ATOM 586 C LYS A 39 0.003 1.881 5.817 1.00 0.00 C ATOM 587 O LYS A 39 -0.324 0.759 6.211 1.00 0.00 O ATOM 588 CB LYS A 39 1.548 2.968 7.448 1.00 0.00 C ATOM 589 CG LYS A 39 2.980 3.455 7.700 1.00 0.00 C ATOM 590 CD LYS A 39 2.994 4.984 7.782 1.00 0.00 C ATOM 591 CE LYS A 39 4.441 5.483 7.799 1.00 0.00 C ATOM 592 NZ LYS A 39 4.458 6.970 7.688 1.00 0.00 N ATOM 0 H LYS A 39 1.787 4.372 5.392 1.00 0.00 H new ATOM 0 HA LYS A 39 2.136 1.573 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.846 3.792 7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.280 2.205 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.363 3.027 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.636 3.117 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.462 5.409 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.474 5.315 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.933 5.171 8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.999 5.040 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.442 7.308 7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.004 7.257 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.940 7.384 8.489 1.00 0.00 H new ATOM 606 N GLU A 40 -0.846 2.711 5.193 1.00 0.00 N ATOM 607 CA GLU A 40 -2.239 2.331 4.938 1.00 0.00 C ATOM 608 C GLU A 40 -2.380 1.448 3.684 1.00 0.00 C ATOM 609 O GLU A 40 -3.498 1.121 3.281 1.00 0.00 O ATOM 610 CB GLU A 40 -3.102 3.585 4.762 1.00 0.00 C ATOM 611 CG GLU A 40 -4.521 3.307 5.265 1.00 0.00 C ATOM 612 CD GLU A 40 -4.625 3.681 6.741 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.371 2.821 7.569 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.958 4.820 7.022 1.00 0.00 O ATOM 0 H GLU A 40 -0.593 3.641 4.859 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.576 1.755 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.667 4.419 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.128 3.876 3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.243 3.880 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.766 2.254 5.128 1.00 0.00 H new ATOM 621 N LEU A 41 -1.251 1.059 3.074 1.00 0.00 N ATOM 622 CA LEU A 41 -1.289 0.209 1.878 1.00 0.00 C ATOM 623 C LEU A 41 -2.014 -1.109 2.171 1.00 0.00 C ATOM 624 O LEU A 41 -2.809 -1.585 1.361 1.00 0.00 O ATOM 625 CB LEU A 41 0.128 -0.103 1.389 1.00 0.00 C ATOM 626 CG LEU A 41 0.343 0.019 -0.124 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.713 -0.802 -0.870 1.00 0.00 C ATOM 628 CD2 LEU A 41 0.235 1.490 -0.538 1.00 0.00 C ATOM 0 H LEU A 41 -0.314 1.315 3.384 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.828 0.755 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.824 0.568 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.385 -1.117 1.695 1.00 0.00 H new ATOM 0 HG LEU A 41 1.333 -0.360 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.553 -0.710 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.632 -1.849 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.707 -0.432 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.388 1.577 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.754 1.869 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.994 2.072 -0.015 1.00 0.00 H new ATOM 640 N GLY A 42 -1.735 -1.688 3.343 1.00 0.00 N ATOM 641 CA GLY A 42 -2.374 -2.946 3.742 1.00 0.00 C ATOM 642 C GLY A 42 -3.902 -2.812 3.803 1.00 0.00 C ATOM 643 O GLY A 42 -4.623 -3.806 3.700 1.00 0.00 O ATOM 0 H GLY A 42 -1.078 -1.311 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.105 -3.731 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.996 -3.253 4.717 1.00 0.00 H new ATOM 647 N LYS A 43 -4.385 -1.575 3.976 1.00 0.00 N ATOM 648 CA LYS A 43 -5.824 -1.322 4.056 1.00 0.00 C ATOM 649 C LYS A 43 -6.449 -1.225 2.660 1.00 0.00 C ATOM 650 O LYS A 43 -7.512 -1.797 2.409 1.00 0.00 O ATOM 651 CB LYS A 43 -6.087 -0.018 4.815 1.00 0.00 C ATOM 652 CG LYS A 43 -7.481 -0.059 5.446 1.00 0.00 C ATOM 653 CD LYS A 43 -7.411 -0.747 6.813 1.00 0.00 C ATOM 654 CE LYS A 43 -8.060 -2.132 6.725 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.623 -2.963 7.884 1.00 0.00 N ATOM 0 H LYS A 43 -3.803 -0.742 4.062 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.279 -2.159 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.332 0.122 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.010 0.831 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.870 0.953 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.170 -0.595 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.373 -0.840 7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.921 -0.142 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.146 -2.037 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.780 -2.617 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.064 -3.903 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.588 -3.065 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.912 -2.502 8.770 1.00 0.00 H new ATOM 669 N VAL A 44 -5.786 -0.490 1.759 1.00 0.00 N ATOM 670 CA VAL A 44 -6.300 -0.321 0.392 1.00 0.00 C ATOM 671 C VAL A 44 -6.326 -1.659 -0.360 1.00 0.00 C ATOM 672 O VAL A 44 -7.264 -1.937 -1.110 1.00 0.00 O ATOM 673 CB VAL A 44 -5.466 0.701 -0.402 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.697 2.105 0.163 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.975 0.365 -0.310 1.00 0.00 C ATOM 0 H VAL A 44 -4.906 -0.009 1.946 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.319 0.055 0.480 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.777 0.664 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.105 2.826 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.754 2.360 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.397 2.130 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.401 1.098 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.661 0.387 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.800 -0.629 -0.721 1.00 0.00 H new ATOM 685 N MET A 45 -5.295 -2.491 -0.145 1.00 0.00 N ATOM 686 CA MET A 45 -5.229 -3.802 -0.803 1.00 0.00 C ATOM 687 C MET A 45 -6.322 -4.728 -0.274 1.00 0.00 C ATOM 688 O MET A 45 -6.869 -5.549 -1.014 1.00 0.00 O ATOM 689 CB MET A 45 -3.868 -4.462 -0.566 1.00 0.00 C ATOM 690 CG MET A 45 -2.770 -3.601 -1.188 1.00 0.00 C ATOM 691 SD MET A 45 -1.178 -4.447 -1.030 1.00 0.00 S ATOM 692 CE MET A 45 -0.936 -4.130 0.736 1.00 0.00 C ATOM 0 H MET A 45 -4.508 -2.283 0.470 1.00 0.00 H new ATOM 0 HA MET A 45 -5.373 -3.639 -1.871 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.690 -4.581 0.503 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.854 -5.460 -1.004 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.992 -3.413 -2.239 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.729 -2.631 -0.693 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.185 -3.351 0.866 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.877 -3.805 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.600 -5.043 1.227 1.00 0.00 H new ATOM 702 N ARG A 46 -6.638 -4.580 1.016 1.00 0.00 N ATOM 703 CA ARG A 46 -7.677 -5.395 1.649 1.00 0.00 C ATOM 704 C ARG A 46 -9.021 -5.171 0.956 1.00 0.00 C ATOM 705 O ARG A 46 -9.776 -6.115 0.722 1.00 0.00 O ATOM 706 CB ARG A 46 -7.812 -5.042 3.134 1.00 0.00 C ATOM 707 CG ARG A 46 -7.002 -6.032 3.974 1.00 0.00 C ATOM 708 CD ARG A 46 -7.077 -5.634 5.451 1.00 0.00 C ATOM 709 NE ARG A 46 -8.443 -5.787 5.963 1.00 0.00 N ATOM 710 CZ ARG A 46 -8.932 -6.979 6.339 1.00 0.00 C ATOM 711 NH1 ARG A 46 -8.198 -8.064 6.261 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.159 -7.062 6.790 1.00 0.00 N ATOM 0 H ARG A 46 -6.191 -3.907 1.639 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.388 -6.442 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.458 -4.026 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.860 -5.071 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.390 -7.042 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.964 -6.042 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.394 -6.252 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.753 -4.600 5.571 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.039 -4.963 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.242 -8.009 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.584 -8.963 6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.737 -6.224 6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.537 -7.965 7.077 1.00 0.00 H new ATOM 726 N MET A 47 -9.298 -3.906 0.620 1.00 0.00 N ATOM 727 CA MET A 47 -10.544 -3.554 -0.062 1.00 0.00 C ATOM 728 C MET A 47 -10.572 -4.164 -1.466 1.00 0.00 C ATOM 729 O MET A 47 -11.618 -4.620 -1.935 1.00 0.00 O ATOM 730 CB MET A 47 -10.684 -2.032 -0.174 1.00 0.00 C ATOM 731 CG MET A 47 -12.126 -1.623 0.134 1.00 0.00 C ATOM 732 SD MET A 47 -13.010 -1.313 -1.415 1.00 0.00 S ATOM 733 CE MET A 47 -14.599 -2.020 -0.918 1.00 0.00 C ATOM 0 H MET A 47 -8.680 -3.116 0.808 1.00 0.00 H new ATOM 0 HA MET A 47 -11.373 -3.950 0.524 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.001 -1.542 0.520 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.409 -1.705 -1.177 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.626 -2.410 0.699 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.136 -0.728 0.756 1.00 0.00 H new ATOM 0 HE1 MET A 47 -15.309 -1.933 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.466 -3.071 -0.663 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.981 -1.482 -0.051 1.00 0.00 H new ATOM 743 N LEU A 48 -9.407 -4.172 -2.126 1.00 0.00 N ATOM 744 CA LEU A 48 -9.297 -4.733 -3.474 1.00 0.00 C ATOM 745 C LEU A 48 -9.604 -6.232 -3.458 1.00 0.00 C ATOM 746 O LEU A 48 -10.383 -6.726 -4.276 1.00 0.00 O ATOM 747 CB LEU A 48 -7.883 -4.519 -4.030 1.00 0.00 C ATOM 748 CG LEU A 48 -7.814 -3.953 -5.454 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.625 -4.840 -6.400 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.387 -2.534 -5.469 1.00 0.00 C ATOM 0 H LEU A 48 -8.535 -3.799 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.019 -4.222 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.347 -3.844 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.355 -5.472 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.775 -3.929 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.574 -4.436 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.215 -5.850 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.664 -4.867 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.338 -2.132 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.425 -2.557 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.807 -1.900 -4.798 1.00 0.00 H new ATOM 762 N GLY A 49 -8.981 -6.944 -2.516 1.00 0.00 N ATOM 763 CA GLY A 49 -9.185 -8.387 -2.388 1.00 0.00 C ATOM 764 C GLY A 49 -7.868 -9.099 -2.086 1.00 0.00 C ATOM 765 O GLY A 49 -7.470 -10.022 -2.798 1.00 0.00 O ATOM 0 H GLY A 49 -8.335 -6.547 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.902 -8.588 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.613 -8.781 -3.310 1.00 0.00 H new ATOM 769 N GLN A 50 -7.197 -8.654 -1.017 1.00 0.00 N ATOM 770 CA GLN A 50 -5.918 -9.247 -0.615 1.00 0.00 C ATOM 771 C GLN A 50 -5.772 -9.220 0.905 1.00 0.00 C ATOM 772 O GLN A 50 -6.402 -8.408 1.588 1.00 0.00 O ATOM 773 CB GLN A 50 -4.749 -8.477 -1.238 1.00 0.00 C ATOM 774 CG GLN A 50 -4.339 -9.139 -2.555 1.00 0.00 C ATOM 775 CD GLN A 50 -3.832 -8.075 -3.526 1.00 0.00 C ATOM 776 OE1 GLN A 50 -4.564 -7.148 -3.878 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.611 -8.151 -3.983 1.00 0.00 N ATOM 0 H GLN A 50 -7.516 -7.891 -0.419 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.902 -10.279 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.037 -7.441 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.904 -8.460 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.561 -9.881 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.189 -9.667 -2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.004 -8.918 -3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.264 -7.444 -4.631 1.00 0.00 H new ATOM 786 N ASN A 51 -4.929 -10.113 1.430 1.00 0.00 N ATOM 787 CA ASN A 51 -4.710 -10.174 2.875 1.00 0.00 C ATOM 788 C ASN A 51 -3.269 -10.595 3.197 1.00 0.00 C ATOM 789 O ASN A 51 -3.025 -11.694 3.704 1.00 0.00 O ATOM 790 CB ASN A 51 -5.697 -11.154 3.525 1.00 0.00 C ATOM 791 CG ASN A 51 -5.873 -10.809 5.004 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.877 -9.636 5.383 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.024 -11.771 5.873 1.00 0.00 N ATOM 0 H ASN A 51 -4.396 -10.792 0.887 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.877 -9.176 3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.659 -11.107 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.330 -12.175 3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.145 -11.551 6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.021 -12.743 5.564 1.00 0.00 H new ATOM 800 N PRO A 52 -2.299 -9.712 2.913 1.00 0.00 N ATOM 801 CA PRO A 52 -0.871 -9.980 3.184 1.00 0.00 C ATOM 802 C PRO A 52 -0.485 -9.658 4.630 1.00 0.00 C ATOM 803 O PRO A 52 -1.347 -9.437 5.483 1.00 0.00 O ATOM 804 CB PRO A 52 -0.178 -9.013 2.227 1.00 0.00 C ATOM 805 CG PRO A 52 -1.163 -7.886 1.942 1.00 0.00 C ATOM 806 CD PRO A 52 -2.565 -8.393 2.302 1.00 0.00 C ATOM 0 HA PRO A 52 -0.605 -11.028 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.738 -8.622 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.105 -9.520 1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.913 -7.002 2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.119 -7.595 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.070 -7.722 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.201 -8.478 1.421 1.00 0.00 H new ATOM 814 N THR A 53 0.823 -9.614 4.886 1.00 0.00 N ATOM 815 CA THR A 53 1.325 -9.293 6.219 1.00 0.00 C ATOM 816 C THR A 53 1.830 -7.849 6.227 1.00 0.00 C ATOM 817 O THR A 53 2.027 -7.251 5.167 1.00 0.00 O ATOM 818 CB THR A 53 2.473 -10.241 6.624 1.00 0.00 C ATOM 819 OG1 THR A 53 3.688 -9.818 6.019 1.00 0.00 O ATOM 820 CG2 THR A 53 2.156 -11.667 6.177 1.00 0.00 C ATOM 0 H THR A 53 1.548 -9.795 4.192 1.00 0.00 H new ATOM 0 HA THR A 53 0.513 -9.415 6.936 1.00 0.00 H new ATOM 0 HB THR A 53 2.580 -10.217 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.412 -10.423 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.972 -12.329 6.467 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.233 -12.000 6.651 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.037 -11.691 5.094 1.00 0.00 H new ATOM 828 N PRO A 54 2.061 -7.276 7.412 1.00 0.00 N ATOM 829 CA PRO A 54 2.561 -5.890 7.519 1.00 0.00 C ATOM 830 C PRO A 54 4.007 -5.752 7.044 1.00 0.00 C ATOM 831 O PRO A 54 4.424 -4.683 6.597 1.00 0.00 O ATOM 832 CB PRO A 54 2.428 -5.606 9.010 1.00 0.00 C ATOM 833 CG PRO A 54 2.408 -6.954 9.714 1.00 0.00 C ATOM 834 CD PRO A 54 1.861 -7.965 8.706 1.00 0.00 C ATOM 0 HA PRO A 54 2.011 -5.191 6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.261 -4.998 9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.515 -5.048 9.217 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.409 -7.235 10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.781 -6.917 10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.400 -8.911 8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.810 -8.189 8.887 1.00 0.00 H new ATOM 842 N GLU A 55 4.753 -6.855 7.129 1.00 0.00 N ATOM 843 CA GLU A 55 6.148 -6.869 6.687 1.00 0.00 C ATOM 844 C GLU A 55 6.220 -7.097 5.173 1.00 0.00 C ATOM 845 O GLU A 55 7.102 -6.565 4.496 1.00 0.00 O ATOM 846 CB GLU A 55 6.936 -7.979 7.395 1.00 0.00 C ATOM 847 CG GLU A 55 6.566 -8.014 8.882 1.00 0.00 C ATOM 848 CD GLU A 55 7.459 -9.014 9.611 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.509 -8.610 10.083 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.077 -10.171 9.690 1.00 0.00 O ATOM 0 H GLU A 55 4.417 -7.745 7.497 1.00 0.00 H new ATOM 0 HA GLU A 55 6.587 -5.904 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.718 -8.942 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.006 -7.806 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.682 -7.022 9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.519 -8.294 9.000 1.00 0.00 H new ATOM 857 N GLU A 56 5.279 -7.898 4.653 1.00 0.00 N ATOM 858 CA GLU A 56 5.240 -8.197 3.220 1.00 0.00 C ATOM 859 C GLU A 56 4.821 -6.962 2.423 1.00 0.00 C ATOM 860 O GLU A 56 5.541 -6.524 1.523 1.00 0.00 O ATOM 861 CB GLU A 56 4.263 -9.341 2.929 1.00 0.00 C ATOM 862 CG GLU A 56 4.934 -10.683 3.239 1.00 0.00 C ATOM 863 CD GLU A 56 5.849 -11.081 2.083 1.00 0.00 C ATOM 864 OE1 GLU A 56 5.363 -11.712 1.159 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.023 -10.750 2.140 1.00 0.00 O ATOM 0 H GLU A 56 4.543 -8.345 5.199 1.00 0.00 H new ATOM 0 HA GLU A 56 6.243 -8.498 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.362 -9.226 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.953 -9.311 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.510 -10.608 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.177 -11.451 3.397 1.00 0.00 H new ATOM 872 N LEU A 57 3.650 -6.402 2.760 1.00 0.00 N ATOM 873 CA LEU A 57 3.156 -5.212 2.060 1.00 0.00 C ATOM 874 C LEU A 57 4.126 -4.034 2.217 1.00 0.00 C ATOM 875 O LEU A 57 4.229 -3.188 1.329 1.00 0.00 O ATOM 876 CB LEU A 57 1.768 -4.804 2.578 1.00 0.00 C ATOM 877 CG LEU A 57 1.697 -4.377 4.051 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.823 -2.854 4.155 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.350 -4.811 4.638 1.00 0.00 C ATOM 0 H LEU A 57 3.038 -6.748 3.500 1.00 0.00 H new ATOM 0 HA LEU A 57 3.080 -5.468 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.400 -3.982 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.086 -5.642 2.430 1.00 0.00 H new ATOM 0 HG LEU A 57 2.511 -4.847 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.772 -2.555 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.777 -2.538 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.009 -2.383 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.295 -4.510 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.459 -4.338 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.254 -5.894 4.567 1.00 0.00 H new ATOM 891 N GLN A 58 4.836 -3.993 3.355 1.00 0.00 N ATOM 892 CA GLN A 58 5.798 -2.915 3.618 1.00 0.00 C ATOM 893 C GLN A 58 6.828 -2.807 2.492 1.00 0.00 C ATOM 894 O GLN A 58 7.101 -1.714 1.990 1.00 0.00 O ATOM 895 CB GLN A 58 6.541 -3.157 4.936 1.00 0.00 C ATOM 896 CG GLN A 58 6.371 -1.942 5.854 1.00 0.00 C ATOM 897 CD GLN A 58 7.046 -0.723 5.226 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.248 -0.517 5.394 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.337 0.103 4.506 1.00 0.00 N ATOM 0 H GLN A 58 4.763 -4.686 4.100 1.00 0.00 H new ATOM 0 HA GLN A 58 5.230 -1.987 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.154 -4.051 5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.599 -3.333 4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.312 -1.741 6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.808 -2.148 6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.341 -0.068 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.779 0.919 4.083 1.00 0.00 H new ATOM 908 N GLU A 59 7.398 -3.953 2.110 1.00 0.00 N ATOM 909 CA GLU A 59 8.407 -3.986 1.047 1.00 0.00 C ATOM 910 C GLU A 59 7.830 -3.478 -0.276 1.00 0.00 C ATOM 911 O GLU A 59 8.497 -2.747 -1.010 1.00 0.00 O ATOM 912 CB GLU A 59 8.928 -5.413 0.848 1.00 0.00 C ATOM 913 CG GLU A 59 9.778 -5.820 2.056 1.00 0.00 C ATOM 914 CD GLU A 59 9.961 -7.335 2.065 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.065 -8.017 2.538 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.994 -7.789 1.602 1.00 0.00 O ATOM 0 H GLU A 59 7.181 -4.863 2.517 1.00 0.00 H new ATOM 0 HA GLU A 59 9.226 -3.334 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.093 -6.103 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.522 -5.471 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.749 -5.326 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.296 -5.496 2.978 1.00 0.00 H new ATOM 923 N MET A 60 6.585 -3.870 -0.570 1.00 0.00 N ATOM 924 CA MET A 60 5.923 -3.448 -1.810 1.00 0.00 C ATOM 925 C MET A 60 5.763 -1.925 -1.856 1.00 0.00 C ATOM 926 O MET A 60 5.987 -1.303 -2.896 1.00 0.00 O ATOM 927 CB MET A 60 4.540 -4.098 -1.931 1.00 0.00 C ATOM 928 CG MET A 60 4.690 -5.546 -2.406 1.00 0.00 C ATOM 929 SD MET A 60 3.064 -6.199 -2.869 1.00 0.00 S ATOM 930 CE MET A 60 3.160 -7.748 -1.936 1.00 0.00 C ATOM 0 H MET A 60 6.020 -4.473 0.028 1.00 0.00 H new ATOM 0 HA MET A 60 6.551 -3.767 -2.642 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.030 -4.072 -0.968 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.924 -3.537 -2.633 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.369 -5.593 -3.258 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.128 -6.156 -1.616 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.243 -8.318 -2.082 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.010 -8.332 -2.287 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.285 -7.527 -0.876 1.00 0.00 H new ATOM 940 N ILE A 61 5.366 -1.337 -0.720 1.00 0.00 N ATOM 941 CA ILE A 61 5.169 0.113 -0.631 1.00 0.00 C ATOM 942 C ILE A 61 6.433 0.866 -1.055 1.00 0.00 C ATOM 943 O ILE A 61 6.460 1.501 -2.109 1.00 0.00 O ATOM 944 CB ILE A 61 4.801 0.502 0.805 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.419 -0.060 1.137 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.786 2.026 0.948 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.386 -0.499 2.599 1.00 0.00 C ATOM 0 H ILE A 61 5.176 -1.842 0.146 1.00 0.00 H new ATOM 0 HA ILE A 61 4.358 0.387 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 61 5.541 0.091 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.654 0.695 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.193 -0.905 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.523 2.293 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.773 2.423 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.051 2.448 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.401 -0.900 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.140 -1.268 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.594 0.357 3.241 1.00 0.00 H new ATOM 959 N ASP A 62 7.472 0.792 -0.218 1.00 0.00 N ATOM 960 CA ASP A 62 8.741 1.475 -0.507 1.00 0.00 C ATOM 961 C ASP A 62 9.265 1.117 -1.906 1.00 0.00 C ATOM 962 O ASP A 62 9.884 1.949 -2.573 1.00 0.00 O ATOM 963 CB ASP A 62 9.802 1.100 0.533 1.00 0.00 C ATOM 964 CG ASP A 62 10.917 2.145 0.528 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.745 3.169 1.170 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.923 1.906 -0.119 1.00 0.00 O ATOM 0 H ASP A 62 7.463 0.271 0.659 1.00 0.00 H new ATOM 0 HA ASP A 62 8.547 2.547 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.350 1.041 1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.212 0.115 0.310 1.00 0.00 H new ATOM 971 N GLU A 63 9.011 -0.125 -2.342 1.00 0.00 N ATOM 972 CA GLU A 63 9.462 -0.582 -3.664 1.00 0.00 C ATOM 973 C GLU A 63 8.878 0.291 -4.779 1.00 0.00 C ATOM 974 O GLU A 63 9.581 0.663 -5.721 1.00 0.00 O ATOM 975 CB GLU A 63 9.033 -2.034 -3.910 1.00 0.00 C ATOM 976 CG GLU A 63 10.162 -2.985 -3.498 1.00 0.00 C ATOM 977 CD GLU A 63 10.896 -3.480 -4.741 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.459 -4.466 -5.312 1.00 0.00 O ATOM 979 OE2 GLU A 63 11.886 -2.865 -5.104 1.00 0.00 O ATOM 0 H GLU A 63 8.500 -0.825 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 63 10.549 -0.508 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.131 -2.258 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.790 -2.178 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.857 -2.473 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.754 -3.830 -2.944 1.00 0.00 H new ATOM 986 N VAL A 64 7.582 0.597 -4.668 1.00 0.00 N ATOM 987 CA VAL A 64 6.901 1.415 -5.682 1.00 0.00 C ATOM 988 C VAL A 64 6.956 2.913 -5.357 1.00 0.00 C ATOM 989 O VAL A 64 6.702 3.745 -6.231 1.00 0.00 O ATOM 990 CB VAL A 64 5.431 0.996 -5.820 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.352 -0.491 -6.170 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.688 1.259 -4.504 1.00 0.00 C ATOM 0 H VAL A 64 6.987 0.296 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 64 7.431 1.245 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 64 4.965 1.579 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.307 -0.787 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.870 -0.671 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.823 -1.076 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.645 0.959 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.152 0.684 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.738 2.321 -4.264 1.00 0.00 H new ATOM 1002 N ASP A 65 7.274 3.256 -4.099 1.00 0.00 N ATOM 1003 CA ASP A 65 7.343 4.663 -3.696 1.00 0.00 C ATOM 1004 C ASP A 65 8.567 5.336 -4.320 1.00 0.00 C ATOM 1005 O ASP A 65 9.629 5.442 -3.702 1.00 0.00 O ATOM 1006 CB ASP A 65 7.395 4.791 -2.165 1.00 0.00 C ATOM 1007 CG ASP A 65 6.789 6.129 -1.737 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.621 6.352 -2.019 1.00 0.00 O ATOM 1009 OD2 ASP A 65 7.501 6.909 -1.125 1.00 0.00 O ATOM 0 H ASP A 65 7.484 2.589 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 65 6.443 5.163 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.848 3.969 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.426 4.721 -1.820 1.00 0.00 H new ATOM 1014 N GLU A 66 8.397 5.776 -5.568 1.00 0.00 N ATOM 1015 CA GLU A 66 9.480 6.432 -6.311 1.00 0.00 C ATOM 1016 C GLU A 66 9.687 7.885 -5.866 1.00 0.00 C ATOM 1017 O GLU A 66 10.743 8.468 -6.119 1.00 0.00 O ATOM 1018 CB GLU A 66 9.183 6.415 -7.812 1.00 0.00 C ATOM 1019 CG GLU A 66 9.350 4.992 -8.353 1.00 0.00 C ATOM 1020 CD GLU A 66 9.403 5.028 -9.877 1.00 0.00 C ATOM 1021 OE1 GLU A 66 8.353 4.933 -10.491 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.495 5.151 -10.410 1.00 0.00 O ATOM 0 H GLU A 66 7.523 5.691 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 66 10.391 5.872 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.168 6.768 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.857 7.095 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.263 4.546 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.521 4.367 -8.022 1.00 0.00 H new ATOM 1029 N ASP A 67 8.677 8.472 -5.213 1.00 0.00 N ATOM 1030 CA ASP A 67 8.781 9.864 -4.761 1.00 0.00 C ATOM 1031 C ASP A 67 9.561 9.959 -3.450 1.00 0.00 C ATOM 1032 O ASP A 67 10.462 10.789 -3.313 1.00 0.00 O ATOM 1033 CB ASP A 67 7.392 10.482 -4.541 1.00 0.00 C ATOM 1034 CG ASP A 67 6.509 10.288 -5.776 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.995 10.493 -6.878 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.352 9.944 -5.595 1.00 0.00 O ATOM 0 H ASP A 67 7.793 8.015 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 67 9.306 10.411 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.918 10.023 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.492 11.545 -4.324 1.00 0.00 H new ATOM 1041 N GLY A 68 9.190 9.117 -2.481 1.00 0.00 N ATOM 1042 CA GLY A 68 9.846 9.130 -1.172 1.00 0.00 C ATOM 1043 C GLY A 68 9.349 10.319 -0.351 1.00 0.00 C ATOM 1044 O GLY A 68 10.108 10.935 0.400 1.00 0.00 O ATOM 0 H GLY A 68 8.447 8.425 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.639 8.200 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.927 9.191 -1.298 1.00 0.00 H new ATOM 1048 N SER A 69 8.060 10.636 -0.518 1.00 0.00 N ATOM 1049 CA SER A 69 7.445 11.757 0.187 1.00 0.00 C ATOM 1050 C SER A 69 6.806 11.295 1.497 1.00 0.00 C ATOM 1051 O SER A 69 7.068 11.859 2.563 1.00 0.00 O ATOM 1052 CB SER A 69 6.369 12.398 -0.697 1.00 0.00 C ATOM 1053 OG SER A 69 5.557 11.378 -1.277 1.00 0.00 O ATOM 0 H SER A 69 7.426 10.130 -1.136 1.00 0.00 H new ATOM 0 HA SER A 69 8.225 12.484 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.753 13.075 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.836 12.995 -1.480 1.00 0.00 H new ATOM 0 HG SER A 69 4.868 11.789 -1.840 1.00 0.00 H new ATOM 1059 N GLY A 70 5.956 10.273 1.398 1.00 0.00 N ATOM 1060 CA GLY A 70 5.261 9.736 2.567 1.00 0.00 C ATOM 1061 C GLY A 70 3.906 9.153 2.162 1.00 0.00 C ATOM 1062 O GLY A 70 3.415 8.205 2.778 1.00 0.00 O ATOM 0 H GLY A 70 5.733 9.801 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.870 8.964 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.118 10.524 3.307 1.00 0.00 H new ATOM 1066 N THR A 71 3.312 9.739 1.117 1.00 0.00 N ATOM 1067 CA THR A 71 2.014 9.285 0.619 1.00 0.00 C ATOM 1068 C THR A 71 2.187 8.497 -0.680 1.00 0.00 C ATOM 1069 O THR A 71 3.132 8.727 -1.441 1.00 0.00 O ATOM 1070 CB THR A 71 1.094 10.486 0.362 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.639 11.294 -0.676 1.00 0.00 O ATOM 1072 CG2 THR A 71 0.969 11.316 1.640 1.00 0.00 C ATOM 0 H THR A 71 3.709 10.525 0.603 1.00 0.00 H new ATOM 0 HA THR A 71 1.566 8.640 1.375 1.00 0.00 H new ATOM 0 HB THR A 71 0.109 10.128 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.049 12.059 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.316 12.169 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.548 10.700 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.954 11.672 1.941 1.00 0.00 H new ATOM 1080 N VAL A 72 1.261 7.570 -0.928 1.00 0.00 N ATOM 1081 CA VAL A 72 1.317 6.757 -2.140 1.00 0.00 C ATOM 1082 C VAL A 72 0.375 7.319 -3.199 1.00 0.00 C ATOM 1083 O VAL A 72 -0.838 7.391 -2.996 1.00 0.00 O ATOM 1084 CB VAL A 72 0.931 5.303 -1.850 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.132 4.459 -3.111 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.812 4.756 -0.723 1.00 0.00 C ATOM 0 H VAL A 72 0.473 7.366 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 72 2.343 6.784 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.115 5.259 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.857 3.425 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.504 4.848 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.178 4.503 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.538 3.722 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.858 4.801 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.668 5.356 0.175 1.00 0.00 H new ATOM 1096 N ASP A 73 0.954 7.704 -4.334 1.00 0.00 N ATOM 1097 CA ASP A 73 0.173 8.252 -5.441 1.00 0.00 C ATOM 1098 C ASP A 73 -0.382 7.114 -6.290 1.00 0.00 C ATOM 1099 O ASP A 73 -0.042 5.948 -6.081 1.00 0.00 O ATOM 1100 CB ASP A 73 1.046 9.150 -6.331 1.00 0.00 C ATOM 1101 CG ASP A 73 1.654 10.286 -5.508 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.535 10.014 -4.708 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.233 11.415 -5.695 1.00 0.00 O ATOM 0 H ASP A 73 1.957 7.647 -4.511 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.641 8.844 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.839 8.559 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.446 9.561 -7.143 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.231 7.460 -7.255 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.814 6.449 -8.137 1.00 0.00 C ATOM 1110 C PHE A 74 -0.732 5.815 -9.012 1.00 0.00 C ATOM 1111 O PHE A 74 -0.809 4.633 -9.345 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.893 7.061 -9.033 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.842 5.977 -9.482 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.452 5.144 -8.538 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.116 5.812 -10.843 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.335 4.141 -8.954 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.001 4.811 -11.260 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.612 3.977 -10.315 1.00 0.00 C ATOM 0 H PHE A 74 -1.528 8.417 -7.446 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.268 5.683 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.437 7.835 -8.491 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.435 7.540 -9.898 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.241 5.275 -7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.646 6.456 -11.571 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.802 3.495 -8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.213 4.682 -12.311 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.297 3.207 -10.637 1.00 0.00 H new ATOM 1128 N ASP A 75 0.287 6.609 -9.363 1.00 0.00 N ATOM 1129 CA ASP A 75 1.395 6.109 -10.181 1.00 0.00 C ATOM 1130 C ASP A 75 2.157 5.025 -9.418 1.00 0.00 C ATOM 1131 O ASP A 75 2.621 4.047 -10.005 1.00 0.00 O ATOM 1132 CB ASP A 75 2.362 7.243 -10.538 1.00 0.00 C ATOM 1133 CG ASP A 75 1.991 7.822 -11.899 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.173 8.728 -11.933 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.527 7.352 -12.889 1.00 0.00 O ATOM 0 H ASP A 75 0.366 7.590 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 75 0.979 5.694 -11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.322 8.022 -9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.386 6.869 -10.557 1.00 0.00 H new ATOM 1140 N GLU A 76 2.257 5.206 -8.096 1.00 0.00 N ATOM 1141 CA GLU A 76 2.940 4.238 -7.235 1.00 0.00 C ATOM 1142 C GLU A 76 1.978 3.105 -6.852 1.00 0.00 C ATOM 1143 O GLU A 76 2.403 1.996 -6.521 1.00 0.00 O ATOM 1144 CB GLU A 76 3.459 4.921 -5.961 1.00 0.00 C ATOM 1145 CG GLU A 76 4.035 6.300 -6.315 1.00 0.00 C ATOM 1146 CD GLU A 76 4.603 6.970 -5.065 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.823 7.315 -4.194 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.809 7.140 -5.002 1.00 0.00 O ATOM 0 H GLU A 76 1.874 6.012 -7.602 1.00 0.00 H new ATOM 0 HA GLU A 76 3.786 3.826 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.650 5.028 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.226 4.305 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.817 6.194 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.257 6.927 -6.751 1.00 0.00 H new ATOM 1155 N PHE A 77 0.673 3.402 -6.914 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.363 2.420 -6.589 1.00 0.00 C ATOM 1157 C PHE A 77 -0.536 1.412 -7.738 1.00 0.00 C ATOM 1158 O PHE A 77 -0.761 0.223 -7.503 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.693 3.147 -6.338 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.707 2.206 -5.734 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.550 1.744 -4.420 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.810 1.798 -6.492 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.499 0.876 -3.868 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.759 0.930 -5.939 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.603 0.468 -4.627 1.00 0.00 C ATOM 0 H PHE A 77 0.312 4.316 -7.187 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.062 1.877 -5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.531 3.993 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.076 3.550 -7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.698 2.057 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.929 2.153 -7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.380 0.520 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.611 0.617 -6.524 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.334 -0.203 -4.200 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.436 1.907 -8.980 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.590 1.054 -10.166 1.00 0.00 C ATOM 1177 C LEU A 78 0.641 0.168 -10.391 1.00 0.00 C ATOM 1178 O LEU A 78 0.509 -1.025 -10.674 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.812 1.912 -11.420 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.171 2.621 -11.517 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.528 2.839 -12.989 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.251 1.764 -10.855 1.00 0.00 C ATOM 0 H LEU A 78 -0.250 2.888 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.456 0.417 -9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.027 2.667 -11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.692 1.276 -12.297 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.111 3.583 -11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.492 3.342 -13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.763 3.454 -13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.584 1.876 -13.496 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.213 2.272 -10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.311 0.800 -11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.000 1.609 -9.806 1.00 0.00 H new ATOM 1194 N VAL A 79 1.834 0.764 -10.279 1.00 0.00 N ATOM 1195 CA VAL A 79 3.087 0.017 -10.489 1.00 0.00 C ATOM 1196 C VAL A 79 3.181 -1.209 -9.573 1.00 0.00 C ATOM 1197 O VAL A 79 3.843 -2.188 -9.911 1.00 0.00 O ATOM 1198 CB VAL A 79 4.318 0.899 -10.246 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.430 1.949 -11.355 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.205 1.599 -8.889 1.00 0.00 C ATOM 0 H VAL A 79 1.962 1.749 -10.047 1.00 0.00 H new ATOM 0 HA VAL A 79 3.071 -0.310 -11.529 1.00 0.00 H new ATOM 0 HB VAL A 79 5.208 0.270 -10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.306 2.573 -11.178 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.528 1.451 -12.319 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.535 2.572 -11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.084 2.222 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.311 2.222 -8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.139 0.852 -8.098 1.00 0.00 H new ATOM 1210 N MET A 80 2.521 -1.139 -8.413 1.00 0.00 N ATOM 1211 CA MET A 80 2.536 -2.247 -7.444 1.00 0.00 C ATOM 1212 C MET A 80 2.239 -3.598 -8.112 1.00 0.00 C ATOM 1213 O MET A 80 2.750 -4.634 -7.683 1.00 0.00 O ATOM 1214 CB MET A 80 1.501 -2.004 -6.341 1.00 0.00 C ATOM 1215 CG MET A 80 2.221 -1.789 -5.010 1.00 0.00 C ATOM 1216 SD MET A 80 1.004 -1.454 -3.713 1.00 0.00 S ATOM 1217 CE MET A 80 1.205 0.345 -3.672 1.00 0.00 C ATOM 0 H MET A 80 1.971 -0.332 -8.120 1.00 0.00 H new ATOM 0 HA MET A 80 3.539 -2.283 -7.018 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.893 -1.133 -6.583 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.824 -2.855 -6.268 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.807 -2.672 -4.754 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.919 -0.956 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.234 0.816 -3.520 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.872 0.618 -2.855 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.630 0.685 -4.616 1.00 0.00 H new ATOM 1227 N MET A 81 1.407 -3.579 -9.158 1.00 0.00 N ATOM 1228 CA MET A 81 1.050 -4.812 -9.867 1.00 0.00 C ATOM 1229 C MET A 81 2.180 -5.271 -10.797 1.00 0.00 C ATOM 1230 O MET A 81 2.578 -6.438 -10.773 1.00 0.00 O ATOM 1231 CB MET A 81 -0.218 -4.604 -10.703 1.00 0.00 C ATOM 1232 CG MET A 81 -1.453 -4.734 -9.808 1.00 0.00 C ATOM 1233 SD MET A 81 -1.786 -6.485 -9.485 1.00 0.00 S ATOM 1234 CE MET A 81 -1.563 -6.436 -7.690 1.00 0.00 C ATOM 0 H MET A 81 0.972 -2.734 -9.529 1.00 0.00 H new ATOM 0 HA MET A 81 0.877 -5.578 -9.111 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.199 -3.620 -11.172 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.260 -5.339 -11.506 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.292 -4.205 -8.869 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.315 -4.272 -10.290 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.424 -7.449 -7.313 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.686 -5.835 -7.449 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.445 -5.994 -7.226 1.00 0.00 H new ATOM 1244 N VAL A 82 2.675 -4.348 -11.628 1.00 0.00 N ATOM 1245 CA VAL A 82 3.745 -4.673 -12.586 1.00 0.00 C ATOM 1246 C VAL A 82 5.089 -4.943 -11.891 1.00 0.00 C ATOM 1247 O VAL A 82 5.871 -5.770 -12.359 1.00 0.00 O ATOM 1248 CB VAL A 82 3.931 -3.547 -13.618 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.719 -3.500 -14.553 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.081 -2.197 -12.908 1.00 0.00 C ATOM 0 H VAL A 82 2.358 -3.379 -11.660 1.00 0.00 H new ATOM 0 HA VAL A 82 3.430 -5.585 -13.093 1.00 0.00 H new ATOM 0 HB VAL A 82 4.833 -3.746 -14.197 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.853 -2.702 -15.283 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.623 -4.454 -15.072 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.817 -3.311 -13.971 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.212 -1.409 -13.649 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.187 -1.995 -12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.951 -2.226 -12.252 1.00 0.00 H new ATOM 1260 N ARG A 83 5.357 -4.243 -10.781 1.00 0.00 N ATOM 1261 CA ARG A 83 6.622 -4.430 -10.052 1.00 0.00 C ATOM 1262 C ARG A 83 6.811 -5.890 -9.606 1.00 0.00 C ATOM 1263 O ARG A 83 7.938 -6.330 -9.370 1.00 0.00 O ATOM 1264 CB ARG A 83 6.697 -3.508 -8.825 1.00 0.00 C ATOM 1265 CG ARG A 83 5.579 -3.846 -7.833 1.00 0.00 C ATOM 1266 CD ARG A 83 6.125 -3.801 -6.402 1.00 0.00 C ATOM 1267 NE ARG A 83 6.945 -4.982 -6.120 1.00 0.00 N ATOM 1268 CZ ARG A 83 6.400 -6.184 -5.871 1.00 0.00 C ATOM 1269 NH1 ARG A 83 5.097 -6.345 -5.877 1.00 0.00 N ATOM 1270 NH2 ARG A 83 7.177 -7.207 -5.622 1.00 0.00 N ATOM 0 H ARG A 83 4.728 -3.552 -10.372 1.00 0.00 H new ATOM 0 HA ARG A 83 7.424 -4.171 -10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.667 -3.616 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.611 -2.468 -9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.758 -3.138 -7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.177 -4.836 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.720 -2.898 -6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.298 -3.750 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 83 7.961 -4.888 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.486 -5.552 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.696 -7.263 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.190 -7.089 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.770 -8.123 -5.432 1.00 0.00 H new ATOM 1284 N CYS A 84 5.701 -6.636 -9.503 1.00 0.00 N ATOM 1285 CA CYS A 84 5.763 -8.044 -9.098 1.00 0.00 C ATOM 1286 C CYS A 84 6.536 -8.882 -10.127 1.00 0.00 C ATOM 1287 O CYS A 84 7.146 -9.895 -9.779 1.00 0.00 O ATOM 1288 CB CYS A 84 4.351 -8.621 -8.945 1.00 0.00 C ATOM 1289 SG CYS A 84 4.392 -10.023 -7.800 1.00 0.00 S ATOM 0 H CYS A 84 4.760 -6.291 -9.693 1.00 0.00 H new ATOM 0 HA CYS A 84 6.283 -8.087 -8.141 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.672 -7.854 -8.573 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.970 -8.941 -9.915 1.00 0.00 H new ATOM 0 HG CYS A 84 3.194 -10.511 -7.669 1.00 0.00 H new