USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 24 LYS NZ :NH3+ 161:sc= 1.56 (180deg=0.311) USER MOD Set 1.2: X 54 TYR OH : rot 180:sc= 0.51 USER MOD Set 2.1: X 14 LYS NZ :NH3+ 150:sc= -2.45! (180deg=-5.1!) USER MOD Set 2.2: X 73 ASN : amide:sc= -1.26 K(o=-3.7,f=-18!) USER MOD Single : X 6 CYS SG : rot 180:sc= 0.0856 USER MOD Single : X 8 THR OG1 : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 ASN :FLIP amide:sc= -0.0192 F(o=-1.8!,f=-0.019) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= 0.09 USER MOD Single : X 20 LYS NZ :NH3+ -157:sc= 1.32 (180deg=1.2) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 25 SER OG : rot -2:sc= 0.614 USER MOD Single : X 26 SER OG : rot 151:sc= -2.06! USER MOD Single : X 32 LYS NZ :NH3+ -120:sc= 1.09 (180deg=-0.647) USER MOD Single : X 33 LYS NZ :NH3+ -127:sc= 0.528 (180deg=0) USER MOD Single : X 34 THR OG1 : rot 86:sc= 1.26 USER MOD Single : X 37 LYS NZ :NH3+ -164:sc= -0.0542 (180deg=-0.318) USER MOD Single : X 38 THR OG1 : rot -160:sc= 0.00304 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot 34:sc= 0.681 USER MOD Single : X 48 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 ASN :FLIP amide:sc= 0 F(o=-0.92!,f=0) USER MOD Single : X 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 56 ASN : amide:sc= -3.02! C(o=-3!,f=-3.6!) USER MOD Single : X 65 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : X 67 LYS NZ :NH3+ -175:sc= 1.93 (180deg=1.85) USER MOD Single : X 75 THR OG1 : rot 94:sc= 0.0221 USER MOD Single : X 77 ASN : amide:sc= -3.74 K(o=-3.7,f=-9.1!) USER MOD Single : X 78 TYR OH : rot 54:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -9.055 4.496 -2.101 1.00 0.00 N ATOM 73 CA ASP X 5 -8.739 5.466 -3.145 1.00 0.00 C ATOM 74 C ASP X 5 -7.924 4.755 -4.218 1.00 0.00 C ATOM 75 O ASP X 5 -7.619 3.562 -4.083 1.00 0.00 O ATOM 76 CB ASP X 5 -7.998 6.702 -2.599 1.00 0.00 C ATOM 77 CG ASP X 5 -7.960 7.852 -3.592 1.00 0.00 C ATOM 78 OD1 ASP X 5 -8.992 8.536 -3.749 1.00 0.00 O ATOM 79 OD2 ASP X 5 -6.909 8.071 -4.236 1.00 0.00 O ATOM 0 HA ASP X 5 -9.667 5.848 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -8.484 7.036 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -6.978 6.422 -2.336 1.00 0.00 H new ATOM 84 N CYS X 6 -7.553 5.424 -5.238 1.00 0.00 N ATOM 85 CA CYS X 6 -6.891 4.742 -6.295 1.00 0.00 C ATOM 86 C CYS X 6 -5.424 4.792 -6.256 1.00 0.00 C ATOM 87 O CYS X 6 -4.768 5.786 -6.627 1.00 0.00 O ATOM 88 CB CYS X 6 -7.382 5.068 -7.643 1.00 0.00 C ATOM 89 SG CYS X 6 -8.188 6.715 -7.772 1.00 0.00 S ATOM 0 H CYS X 6 -7.689 6.426 -5.371 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.171 3.709 -6.090 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -6.546 5.029 -8.341 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -8.093 4.302 -7.954 1.00 0.00 H new ATOM 0 HG CYS X 6 -8.583 6.910 -8.995 1.00 0.00 H new ATOM 94 N TRP X 7 -4.906 3.711 -5.854 1.00 0.00 N ATOM 95 CA TRP X 7 -3.535 3.522 -5.807 1.00 0.00 C ATOM 96 C TRP X 7 -3.208 2.769 -7.074 1.00 0.00 C ATOM 97 O TRP X 7 -4.096 2.182 -7.699 1.00 0.00 O ATOM 98 CB TRP X 7 -3.152 2.714 -4.534 1.00 0.00 C ATOM 99 CG TRP X 7 -4.007 3.016 -3.329 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.641 4.178 -3.030 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.288 2.130 -2.267 1.00 0.00 C ATOM 102 NE1 TRP X 7 -5.331 4.054 -1.873 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.099 2.803 -1.355 1.00 0.00 C ATOM 104 CE3 TRP X 7 -3.927 0.833 -2.002 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.543 2.188 -0.185 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -4.355 0.238 -0.857 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.148 0.914 0.036 1.00 0.00 C ATOM 0 H TRP X 7 -5.449 2.907 -5.538 1.00 0.00 H new ATOM 0 HA TRP X 7 -2.976 4.456 -5.749 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -3.223 1.650 -4.758 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.110 2.919 -4.287 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.600 5.075 -3.631 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.925 4.770 -1.455 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -3.307 0.288 -2.699 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -6.177 2.709 0.517 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -4.067 -0.781 -0.647 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.465 0.415 0.940 1.00 0.00 H new ATOM 118 N THR X 8 -2.021 2.795 -7.465 1.00 0.00 N ATOM 119 CA THR X 8 -1.636 2.090 -8.634 1.00 0.00 C ATOM 120 C THR X 8 -0.931 0.819 -8.211 1.00 0.00 C ATOM 121 O THR X 8 -0.013 0.832 -7.371 1.00 0.00 O ATOM 122 CB THR X 8 -0.765 2.960 -9.610 1.00 0.00 C ATOM 123 OG1 THR X 8 -0.462 2.234 -10.808 1.00 0.00 O ATOM 124 CG2 THR X 8 0.541 3.436 -8.972 1.00 0.00 C ATOM 0 H THR X 8 -1.268 3.301 -6.998 1.00 0.00 H new ATOM 0 HA THR X 8 -2.528 1.839 -9.208 1.00 0.00 H new ATOM 0 HB THR X 8 -1.364 3.839 -9.848 1.00 0.00 H new ATOM 0 HG1 THR X 8 0.079 2.795 -11.402 1.00 0.00 H new ATOM 0 HG21 THR X 8 1.102 4.032 -9.692 1.00 0.00 H new ATOM 0 HG22 THR X 8 0.317 4.043 -8.095 1.00 0.00 H new ATOM 0 HG23 THR X 8 1.136 2.573 -8.674 1.00 0.00 H new ATOM 132 N PHE X 9 -1.439 -0.276 -8.705 1.00 0.00 N ATOM 133 CA PHE X 9 -0.938 -1.556 -8.358 1.00 0.00 C ATOM 134 C PHE X 9 -0.006 -2.066 -9.433 1.00 0.00 C ATOM 135 O PHE X 9 -0.311 -1.939 -10.637 1.00 0.00 O ATOM 136 CB PHE X 9 -2.097 -2.542 -8.186 1.00 0.00 C ATOM 137 CG PHE X 9 -1.642 -3.730 -7.461 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.288 -3.574 -6.179 1.00 0.00 C ATOM 139 CD2 PHE X 9 -1.489 -4.968 -8.059 1.00 0.00 C ATOM 140 CE1 PHE X 9 -0.796 -4.585 -5.458 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.973 -6.017 -7.325 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.624 -5.803 -6.004 1.00 0.00 C ATOM 0 H PHE X 9 -2.218 -0.294 -9.364 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.389 -1.469 -7.420 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -2.913 -2.065 -7.643 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.488 -2.829 -9.162 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -1.403 -2.605 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.771 -5.113 -9.091 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -0.533 -4.423 -4.423 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.844 -6.990 -7.775 1.00 0.00 H new ATOM 0 HZ PHE X 9 -0.215 -6.610 -5.413 1.00 0.00 H new ATOM 152 N TYR X 10 1.120 -2.617 -9.045 1.00 0.00 N ATOM 153 CA TYR X 10 1.983 -3.207 -10.037 1.00 0.00 C ATOM 154 C TYR X 10 1.852 -4.735 -10.059 1.00 0.00 C ATOM 155 O TYR X 10 1.398 -5.300 -11.076 1.00 0.00 O ATOM 156 CB TYR X 10 3.457 -2.724 -9.921 1.00 0.00 C ATOM 157 CG TYR X 10 4.410 -3.234 -11.028 1.00 0.00 C ATOM 158 CD1 TYR X 10 3.952 -3.500 -12.317 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.763 -3.453 -10.773 1.00 0.00 C ATOM 160 CE1 TYR X 10 4.806 -3.962 -13.304 1.00 0.00 C ATOM 161 CE2 TYR X 10 6.613 -3.912 -11.755 1.00 0.00 C ATOM 162 CZ TYR X 10 6.135 -4.167 -13.014 1.00 0.00 C ATOM 163 OH TYR X 10 6.995 -4.636 -13.994 1.00 0.00 O ATOM 0 H TYR X 10 1.452 -2.669 -8.082 1.00 0.00 H new ATOM 0 HA TYR X 10 1.641 -2.849 -11.008 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.466 -1.634 -9.930 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.850 -3.038 -8.954 1.00 0.00 H new ATOM 0 HD1 TYR X 10 2.909 -3.343 -12.551 1.00 0.00 H new ATOM 0 HD2 TYR X 10 6.153 -3.259 -9.785 1.00 0.00 H new ATOM 0 HE1 TYR X 10 4.431 -4.161 -14.297 1.00 0.00 H new ATOM 0 HE2 TYR X 10 7.658 -4.071 -11.533 1.00 0.00 H new ATOM 0 HH TYR X 10 7.898 -4.724 -13.622 1.00 0.00 H new ATOM 173 N ALA X 11 2.166 -5.408 -8.958 1.00 0.00 N ATOM 174 CA ALA X 11 2.201 -6.870 -8.952 1.00 0.00 C ATOM 175 C ALA X 11 2.348 -7.344 -7.544 1.00 0.00 C ATOM 176 O ALA X 11 2.589 -6.534 -6.670 1.00 0.00 O ATOM 177 CB ALA X 11 3.355 -7.389 -9.804 1.00 0.00 C ATOM 0 H ALA X 11 2.398 -4.972 -8.065 1.00 0.00 H new ATOM 0 HA ALA X 11 1.273 -7.252 -9.377 1.00 0.00 H new ATOM 0 HB1 ALA X 11 3.361 -8.479 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.232 -7.045 -10.831 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.298 -7.014 -9.406 1.00 0.00 H new ATOM 183 N ASN X 12 2.120 -8.616 -7.242 1.00 0.00 N ATOM 184 CA ASN X 12 2.442 -8.949 -5.882 1.00 0.00 C ATOM 185 C ASN X 12 3.928 -9.188 -5.913 1.00 0.00 C ATOM 186 O ASN X 12 4.426 -10.114 -6.550 1.00 0.00 O ATOM 187 CB ASN X 12 1.696 -10.229 -5.410 1.00 0.00 C ATOM 188 CG ASN X 12 0.173 -10.067 -5.241 1.00 0.00 C ATOM 189 OD1 ASN X 12 -0.450 -9.247 -6.057 1.00 0.00 O flip ATOM 190 ND2 ASN X 12 -0.441 -10.705 -4.384 1.00 0.00 N flip ATOM 0 H ASN X 12 1.756 -9.352 -7.847 1.00 0.00 H new ATOM 0 HA ASN X 12 2.145 -8.163 -5.187 1.00 0.00 H new ATOM 0 HB2 ASN X 12 1.884 -11.027 -6.128 1.00 0.00 H new ATOM 0 HB3 ASN X 12 2.120 -10.549 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN X 12 0.062 -11.336 -3.760 1.00 0.00 H new ATOM 0 HD22 ASN X 12 -1.452 -10.602 -4.298 1.00 0.00 H new ATOM 197 N ARG X 13 4.615 -8.329 -5.236 1.00 0.00 N ATOM 198 CA ARG X 13 6.060 -8.285 -5.221 1.00 0.00 C ATOM 199 C ARG X 13 6.564 -7.607 -3.983 1.00 0.00 C ATOM 200 O ARG X 13 5.773 -7.020 -3.243 1.00 0.00 O ATOM 201 CB ARG X 13 6.676 -7.691 -6.517 1.00 0.00 C ATOM 202 CG ARG X 13 6.018 -6.428 -7.021 1.00 0.00 C ATOM 203 CD ARG X 13 6.829 -5.742 -8.105 1.00 0.00 C ATOM 204 NE ARG X 13 7.182 -6.629 -9.219 1.00 0.00 N ATOM 205 CZ ARG X 13 8.230 -6.442 -10.033 1.00 0.00 C ATOM 206 NH1 ARG X 13 8.993 -5.346 -9.911 1.00 0.00 N ATOM 207 NH2 ARG X 13 8.487 -7.324 -10.989 1.00 0.00 N ATOM 0 H ARG X 13 4.183 -7.610 -4.655 1.00 0.00 H new ATOM 0 HA ARG X 13 6.403 -9.319 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG X 13 7.731 -7.485 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG X 13 6.627 -8.445 -7.302 1.00 0.00 H new ATOM 0 HG2 ARG X 13 5.028 -6.668 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG X 13 5.875 -5.739 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG X 13 6.262 -4.895 -8.491 1.00 0.00 H new ATOM 0 HD3 ARG X 13 7.743 -5.341 -7.666 1.00 0.00 H new ATOM 0 HE ARG X 13 6.590 -7.443 -9.385 1.00 0.00 H new ATOM 0 HH11 ARG X 13 8.777 -4.651 -9.197 1.00 0.00 H new ATOM 0 HH12 ARG X 13 9.790 -5.208 -10.533 1.00 0.00 H new ATOM 0 HH21 ARG X 13 7.888 -8.142 -11.103 1.00 0.00 H new ATOM 0 HH22 ARG X 13 9.284 -7.185 -11.610 1.00 0.00 H new ATOM 221 N LYS X 14 7.842 -7.737 -3.697 1.00 0.00 N ATOM 222 CA LYS X 14 8.422 -6.994 -2.619 1.00 0.00 C ATOM 223 C LYS X 14 9.932 -6.796 -2.701 1.00 0.00 C ATOM 224 O LYS X 14 10.685 -7.712 -2.981 1.00 0.00 O ATOM 225 CB LYS X 14 8.167 -7.713 -1.408 1.00 0.00 C ATOM 226 CG LYS X 14 8.612 -7.018 -0.174 1.00 0.00 C ATOM 227 CD LYS X 14 8.169 -7.806 0.978 1.00 0.00 C ATOM 228 CE LYS X 14 6.676 -7.949 1.004 1.00 0.00 C ATOM 229 NZ LYS X 14 6.275 -9.315 0.560 1.00 0.00 N ATOM 0 H LYS X 14 8.488 -8.348 -4.197 1.00 0.00 H new ATOM 0 HA LYS X 14 7.970 -6.003 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS X 14 7.097 -7.908 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS X 14 8.664 -8.681 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS X 14 9.697 -6.911 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS X 14 8.193 -6.013 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS X 14 8.630 -8.793 0.944 1.00 0.00 H new ATOM 0 HD3 LYS X 14 8.506 -7.329 1.898 1.00 0.00 H new ATOM 0 HE2 LYS X 14 6.304 -7.764 2.012 1.00 0.00 H new ATOM 0 HE3 LYS X 14 6.222 -7.201 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 5.388 -9.586 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 6.135 -9.318 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 7.022 -9.994 0.810 1.00 0.00 H new ATOM 243 N TYR X 15 10.353 -5.597 -2.404 1.00 0.00 N ATOM 244 CA TYR X 15 11.719 -5.335 -2.105 1.00 0.00 C ATOM 245 C TYR X 15 11.852 -5.835 -0.687 1.00 0.00 C ATOM 246 O TYR X 15 11.328 -5.221 0.229 1.00 0.00 O ATOM 247 CB TYR X 15 12.009 -3.824 -2.209 1.00 0.00 C ATOM 248 CG TYR X 15 13.364 -3.378 -1.692 1.00 0.00 C ATOM 249 CD1 TYR X 15 14.540 -3.703 -2.356 1.00 0.00 C ATOM 250 CD2 TYR X 15 13.457 -2.613 -0.534 1.00 0.00 C ATOM 251 CE1 TYR X 15 15.766 -3.283 -1.874 1.00 0.00 C ATOM 252 CE2 TYR X 15 14.675 -2.191 -0.051 1.00 0.00 C ATOM 253 CZ TYR X 15 15.825 -2.526 -0.719 1.00 0.00 C ATOM 254 OH TYR X 15 17.046 -2.109 -0.228 1.00 0.00 O ATOM 0 H TYR X 15 9.749 -4.776 -2.365 1.00 0.00 H new ATOM 0 HA TYR X 15 12.423 -5.813 -2.786 1.00 0.00 H new ATOM 0 HB2 TYR X 15 11.924 -3.527 -3.254 1.00 0.00 H new ATOM 0 HB3 TYR X 15 11.236 -3.286 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.496 -4.291 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR X 15 12.556 -2.345 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR X 15 16.673 -3.545 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR X 15 14.725 -1.598 0.851 1.00 0.00 H new ATOM 0 HH TYR X 15 16.909 -1.586 0.589 1.00 0.00 H new ATOM 264 N THR X 16 12.413 -7.014 -0.565 1.00 0.00 N ATOM 265 CA THR X 16 12.535 -7.817 0.659 1.00 0.00 C ATOM 266 C THR X 16 13.222 -7.155 1.896 1.00 0.00 C ATOM 267 O THR X 16 13.786 -7.848 2.750 1.00 0.00 O ATOM 268 CB THR X 16 13.211 -9.144 0.285 1.00 0.00 C ATOM 269 OG1 THR X 16 14.165 -8.902 -0.780 1.00 0.00 O ATOM 270 CG2 THR X 16 12.179 -10.157 -0.184 1.00 0.00 C ATOM 0 H THR X 16 12.831 -7.484 -1.368 1.00 0.00 H new ATOM 0 HA THR X 16 11.517 -7.953 1.023 1.00 0.00 H new ATOM 0 HB THR X 16 13.718 -9.545 1.163 1.00 0.00 H new ATOM 0 HG1 THR X 16 14.603 -9.744 -1.024 1.00 0.00 H new ATOM 0 HG21 THR X 16 12.678 -11.091 -0.444 1.00 0.00 H new ATOM 0 HG22 THR X 16 11.460 -10.340 0.614 1.00 0.00 H new ATOM 0 HG23 THR X 16 11.658 -9.768 -1.059 1.00 0.00 H new ATOM 278 N ASP X 17 13.109 -5.863 2.020 1.00 0.00 N ATOM 279 CA ASP X 17 13.575 -5.146 3.172 1.00 0.00 C ATOM 280 C ASP X 17 12.396 -4.402 3.751 1.00 0.00 C ATOM 281 O ASP X 17 12.010 -3.336 3.272 1.00 0.00 O ATOM 282 CB ASP X 17 14.728 -4.203 2.850 1.00 0.00 C ATOM 283 CG ASP X 17 15.228 -3.486 4.082 1.00 0.00 C ATOM 284 OD1 ASP X 17 15.481 -4.161 5.106 1.00 0.00 O ATOM 285 OD2 ASP X 17 15.424 -2.255 4.034 1.00 0.00 O ATOM 0 H ASP X 17 12.682 -5.268 1.310 1.00 0.00 H new ATOM 0 HA ASP X 17 13.978 -5.851 3.899 1.00 0.00 H new ATOM 0 HB2 ASP X 17 15.545 -4.768 2.402 1.00 0.00 H new ATOM 0 HB3 ASP X 17 14.403 -3.471 2.110 1.00 0.00 H new ATOM 290 N PHE X 18 11.817 -4.983 4.771 1.00 0.00 N ATOM 291 CA PHE X 18 10.550 -4.520 5.343 1.00 0.00 C ATOM 292 C PHE X 18 10.814 -3.488 6.459 1.00 0.00 C ATOM 293 O PHE X 18 9.996 -3.267 7.349 1.00 0.00 O ATOM 294 CB PHE X 18 9.826 -5.753 5.890 1.00 0.00 C ATOM 295 CG PHE X 18 8.329 -5.714 5.777 1.00 0.00 C ATOM 296 CD1 PHE X 18 7.722 -5.970 4.559 1.00 0.00 C ATOM 297 CD2 PHE X 18 7.534 -5.449 6.873 1.00 0.00 C ATOM 298 CE1 PHE X 18 6.352 -5.960 4.434 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.162 -5.441 6.757 1.00 0.00 C ATOM 300 CZ PHE X 18 5.569 -5.697 5.533 1.00 0.00 C ATOM 0 H PHE X 18 12.205 -5.800 5.242 1.00 0.00 H new ATOM 0 HA PHE X 18 9.936 -4.026 4.590 1.00 0.00 H new ATOM 0 HB2 PHE X 18 10.192 -6.634 5.363 1.00 0.00 H new ATOM 0 HB3 PHE X 18 10.093 -5.876 6.940 1.00 0.00 H new ATOM 0 HD1 PHE X 18 8.333 -6.181 3.694 1.00 0.00 H new ATOM 0 HD2 PHE X 18 7.992 -5.246 7.830 1.00 0.00 H new ATOM 0 HE1 PHE X 18 5.893 -6.158 3.476 1.00 0.00 H new ATOM 0 HE2 PHE X 18 5.548 -5.235 7.622 1.00 0.00 H new ATOM 0 HZ PHE X 18 4.493 -5.690 5.441 1.00 0.00 H new ATOM 310 N ASP X 19 11.932 -2.815 6.327 1.00 0.00 N ATOM 311 CA ASP X 19 12.448 -1.835 7.295 1.00 0.00 C ATOM 312 C ASP X 19 11.642 -0.536 7.312 1.00 0.00 C ATOM 313 O ASP X 19 11.665 0.204 8.290 1.00 0.00 O ATOM 314 CB ASP X 19 13.901 -1.513 6.940 1.00 0.00 C ATOM 315 CG ASP X 19 14.534 -0.474 7.832 1.00 0.00 C ATOM 316 OD1 ASP X 19 14.963 -0.819 8.945 1.00 0.00 O ATOM 317 OD2 ASP X 19 14.626 0.707 7.422 1.00 0.00 O ATOM 0 H ASP X 19 12.542 -2.928 5.517 1.00 0.00 H new ATOM 0 HA ASP X 19 12.367 -2.280 8.287 1.00 0.00 H new ATOM 0 HB2 ASP X 19 14.489 -2.429 6.993 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.944 -1.166 5.908 1.00 0.00 H new ATOM 322 N LYS X 20 10.912 -0.301 6.242 1.00 0.00 N ATOM 323 CA LYS X 20 10.215 0.978 5.966 1.00 0.00 C ATOM 324 C LYS X 20 9.155 1.409 7.014 1.00 0.00 C ATOM 325 O LYS X 20 8.600 2.497 6.897 1.00 0.00 O ATOM 326 CB LYS X 20 9.595 0.941 4.566 1.00 0.00 C ATOM 327 CG LYS X 20 10.583 0.604 3.446 1.00 0.00 C ATOM 328 CD LYS X 20 11.746 1.592 3.369 1.00 0.00 C ATOM 329 CE LYS X 20 11.290 2.997 3.003 1.00 0.00 C ATOM 330 NZ LYS X 20 12.377 3.983 3.145 1.00 0.00 N ATOM 0 H LYS X 20 10.771 -0.998 5.511 1.00 0.00 H new ATOM 0 HA LYS X 20 10.990 1.742 6.032 1.00 0.00 H new ATOM 0 HB2 LYS X 20 8.790 0.206 4.558 1.00 0.00 H new ATOM 0 HB3 LYS X 20 9.143 1.911 4.356 1.00 0.00 H new ATOM 0 HG2 LYS X 20 10.975 -0.401 3.603 1.00 0.00 H new ATOM 0 HG3 LYS X 20 10.055 0.595 2.492 1.00 0.00 H new ATOM 0 HD2 LYS X 20 12.261 1.619 4.329 1.00 0.00 H new ATOM 0 HD3 LYS X 20 12.467 1.243 2.630 1.00 0.00 H new ATOM 0 HE2 LYS X 20 10.925 3.004 1.976 1.00 0.00 H new ATOM 0 HE3 LYS X 20 10.454 3.285 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 11.971 4.932 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 12.959 3.741 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 12.969 3.973 2.290 1.00 0.00 H new ATOM 344 N SER X 21 8.895 0.561 8.007 1.00 0.00 N ATOM 345 CA SER X 21 7.968 0.848 9.092 1.00 0.00 C ATOM 346 C SER X 21 6.506 0.904 8.631 1.00 0.00 C ATOM 347 O SER X 21 5.957 1.966 8.197 1.00 0.00 O ATOM 348 CB SER X 21 8.397 2.089 9.911 1.00 0.00 C ATOM 349 OG SER X 21 7.424 2.455 10.894 1.00 0.00 O ATOM 0 H SER X 21 9.331 -0.358 8.079 1.00 0.00 H new ATOM 0 HA SER X 21 8.020 0.000 9.775 1.00 0.00 H new ATOM 0 HB2 SER X 21 9.348 1.886 10.403 1.00 0.00 H new ATOM 0 HB3 SER X 21 8.561 2.928 9.235 1.00 0.00 H new ATOM 0 HG SER X 21 7.737 3.242 11.387 1.00 0.00 H new ATOM 355 N PHE X 22 5.889 -0.238 8.688 1.00 0.00 N ATOM 356 CA PHE X 22 4.513 -0.384 8.327 1.00 0.00 C ATOM 357 C PHE X 22 3.734 -0.697 9.558 1.00 0.00 C ATOM 358 O PHE X 22 4.187 -1.480 10.399 1.00 0.00 O ATOM 359 CB PHE X 22 4.339 -1.517 7.307 1.00 0.00 C ATOM 360 CG PHE X 22 5.108 -1.310 6.040 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.490 -0.056 5.676 1.00 0.00 C ATOM 362 CD2 PHE X 22 5.423 -2.359 5.215 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.161 0.183 4.549 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.120 -2.140 4.048 1.00 0.00 C ATOM 365 CZ PHE X 22 6.491 -0.857 3.710 1.00 0.00 C ATOM 0 H PHE X 22 6.334 -1.105 8.990 1.00 0.00 H new ATOM 0 HA PHE X 22 4.157 0.541 7.875 1.00 0.00 H new ATOM 0 HB2 PHE X 22 4.653 -2.456 7.763 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.281 -1.618 7.067 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.241 0.773 6.321 1.00 0.00 H new ATOM 0 HD2 PHE X 22 5.123 -3.362 5.482 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.446 1.193 4.294 1.00 0.00 H new ATOM 0 HE2 PHE X 22 6.374 -2.968 3.402 1.00 0.00 H new ATOM 0 HZ PHE X 22 7.035 -0.669 2.796 1.00 0.00 H new ATOM 375 N LYS X 23 2.600 -0.097 9.692 1.00 0.00 N ATOM 376 CA LYS X 23 1.769 -0.349 10.832 1.00 0.00 C ATOM 377 C LYS X 23 0.697 -1.307 10.386 1.00 0.00 C ATOM 378 O LYS X 23 0.164 -1.162 9.278 1.00 0.00 O ATOM 379 CB LYS X 23 1.166 0.959 11.355 1.00 0.00 C ATOM 380 CG LYS X 23 0.398 0.822 12.660 1.00 0.00 C ATOM 381 CD LYS X 23 1.320 0.401 13.789 1.00 0.00 C ATOM 382 CE LYS X 23 0.571 0.229 15.089 1.00 0.00 C ATOM 383 NZ LYS X 23 1.462 -0.188 16.191 1.00 0.00 N ATOM 0 H LYS X 23 2.221 0.576 9.025 1.00 0.00 H new ATOM 0 HA LYS X 23 2.344 -0.779 11.652 1.00 0.00 H new ATOM 0 HB2 LYS X 23 1.968 1.684 11.495 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.498 1.365 10.596 1.00 0.00 H new ATOM 0 HG2 LYS X 23 -0.078 1.771 12.908 1.00 0.00 H new ATOM 0 HG3 LYS X 23 -0.399 0.087 12.542 1.00 0.00 H new ATOM 0 HD2 LYS X 23 1.812 -0.535 13.526 1.00 0.00 H new ATOM 0 HD3 LYS X 23 2.103 1.148 13.917 1.00 0.00 H new ATOM 0 HE2 LYS X 23 0.083 1.167 15.353 1.00 0.00 H new ATOM 0 HE3 LYS X 23 -0.216 -0.514 14.958 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 0.908 -0.294 17.064 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 1.909 -1.096 15.952 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 2.198 0.533 16.334 1.00 0.00 H new ATOM 397 N LYS X 24 0.388 -2.288 11.191 1.00 0.00 N ATOM 398 CA LYS X 24 -0.540 -3.276 10.763 1.00 0.00 C ATOM 399 C LYS X 24 -1.645 -3.512 11.763 1.00 0.00 C ATOM 400 O LYS X 24 -1.427 -3.623 12.982 1.00 0.00 O ATOM 401 CB LYS X 24 0.169 -4.581 10.451 1.00 0.00 C ATOM 402 CG LYS X 24 0.634 -5.384 11.670 1.00 0.00 C ATOM 403 CD LYS X 24 1.000 -6.771 11.263 1.00 0.00 C ATOM 404 CE LYS X 24 1.445 -7.635 12.412 1.00 0.00 C ATOM 405 NZ LYS X 24 1.691 -9.008 11.940 1.00 0.00 N ATOM 0 H LYS X 24 0.763 -2.416 12.131 1.00 0.00 H new ATOM 0 HA LYS X 24 -1.004 -2.891 9.855 1.00 0.00 H new ATOM 0 HB2 LYS X 24 -0.500 -5.206 9.859 1.00 0.00 H new ATOM 0 HB3 LYS X 24 1.037 -4.364 9.828 1.00 0.00 H new ATOM 0 HG2 LYS X 24 1.491 -4.894 12.132 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -0.158 -5.414 12.419 1.00 0.00 H new ATOM 0 HD2 LYS X 24 0.142 -7.238 10.779 1.00 0.00 H new ATOM 0 HD3 LYS X 24 1.798 -6.725 10.522 1.00 0.00 H new ATOM 0 HE2 LYS X 24 2.352 -7.226 12.856 1.00 0.00 H new ATOM 0 HE3 LYS X 24 0.683 -7.640 13.191 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 2.289 -9.510 12.628 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 0.785 -9.508 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 2.174 -8.977 11.019 1.00 0.00 H new ATOM 419 N SER X 25 -2.810 -3.451 11.259 1.00 0.00 N ATOM 420 CA SER X 25 -4.016 -3.839 11.906 1.00 0.00 C ATOM 421 C SER X 25 -4.888 -4.213 10.751 1.00 0.00 C ATOM 422 O SER X 25 -4.908 -3.463 9.762 1.00 0.00 O ATOM 423 CB SER X 25 -4.610 -2.661 12.688 1.00 0.00 C ATOM 424 OG SER X 25 -3.675 -2.170 13.643 1.00 0.00 O ATOM 0 H SER X 25 -2.969 -3.104 10.313 1.00 0.00 H new ATOM 0 HA SER X 25 -3.891 -4.641 12.634 1.00 0.00 H new ATOM 0 HB2 SER X 25 -4.887 -1.863 11.999 1.00 0.00 H new ATOM 0 HB3 SER X 25 -5.523 -2.977 13.194 1.00 0.00 H new ATOM 0 HG SER X 25 -2.860 -2.714 13.613 1.00 0.00 H new ATOM 430 N SER X 26 -5.562 -5.330 10.766 1.00 0.00 N ATOM 431 CA SER X 26 -6.287 -5.612 9.587 1.00 0.00 C ATOM 432 C SER X 26 -7.666 -5.015 9.666 1.00 0.00 C ATOM 433 O SER X 26 -8.578 -5.534 10.320 1.00 0.00 O ATOM 434 CB SER X 26 -6.344 -7.116 9.363 1.00 0.00 C ATOM 435 OG SER X 26 -5.031 -7.654 9.366 1.00 0.00 O ATOM 0 H SER X 26 -5.618 -6.007 11.527 1.00 0.00 H new ATOM 0 HA SER X 26 -5.779 -5.160 8.735 1.00 0.00 H new ATOM 0 HB2 SER X 26 -6.941 -7.587 10.144 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.833 -7.333 8.413 1.00 0.00 H new ATOM 0 HG SER X 26 -5.058 -8.581 9.684 1.00 0.00 H new ATOM 441 N ASP X 27 -7.761 -3.871 9.078 1.00 0.00 N ATOM 442 CA ASP X 27 -8.974 -3.218 8.790 1.00 0.00 C ATOM 443 C ASP X 27 -8.857 -2.769 7.418 1.00 0.00 C ATOM 444 O ASP X 27 -8.063 -1.857 7.165 1.00 0.00 O ATOM 445 CB ASP X 27 -9.193 -2.046 9.656 1.00 0.00 C ATOM 446 CG ASP X 27 -10.655 -1.752 9.775 1.00 0.00 C ATOM 447 OD1 ASP X 27 -11.209 -1.142 8.872 1.00 0.00 O ATOM 448 OD2 ASP X 27 -11.280 -2.163 10.775 1.00 0.00 O ATOM 0 H ASP X 27 -6.943 -3.344 8.772 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.812 -3.895 8.954 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -8.771 -2.232 10.644 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -8.674 -1.180 9.245 1.00 0.00 H new ATOM 453 N LEU X 28 -9.556 -3.361 6.509 1.00 0.00 N ATOM 454 CA LEU X 28 -9.442 -2.903 5.150 1.00 0.00 C ATOM 455 C LEU X 28 -9.887 -1.460 5.057 1.00 0.00 C ATOM 456 O LEU X 28 -9.264 -0.670 4.383 1.00 0.00 O ATOM 457 CB LEU X 28 -10.171 -3.802 4.122 1.00 0.00 C ATOM 458 CG LEU X 28 -9.535 -5.181 3.796 1.00 0.00 C ATOM 459 CD1 LEU X 28 -8.081 -5.041 3.358 1.00 0.00 C ATOM 460 CD2 LEU X 28 -9.659 -6.158 4.947 1.00 0.00 C ATOM 0 H LEU X 28 -10.196 -4.140 6.665 1.00 0.00 H new ATOM 0 HA LEU X 28 -8.389 -2.971 4.877 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -11.183 -3.976 4.486 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -10.259 -3.244 3.190 1.00 0.00 H new ATOM 0 HG LEU X 28 -10.101 -5.591 2.960 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -7.671 -6.027 3.139 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -8.028 -4.419 2.464 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -7.503 -4.577 4.157 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -9.200 -7.107 4.670 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -9.154 -5.753 5.824 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -10.712 -6.318 5.176 1.00 0.00 H new ATOM 472 N ASP X 29 -10.927 -1.123 5.788 1.00 0.00 N ATOM 473 CA ASP X 29 -11.447 0.236 5.796 1.00 0.00 C ATOM 474 C ASP X 29 -10.430 1.203 6.381 1.00 0.00 C ATOM 475 O ASP X 29 -10.066 2.223 5.769 1.00 0.00 O ATOM 476 CB ASP X 29 -12.716 0.313 6.614 1.00 0.00 C ATOM 477 CG ASP X 29 -13.806 -0.611 6.124 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.452 -0.300 5.113 1.00 0.00 O ATOM 479 OD2 ASP X 29 -14.060 -1.666 6.760 1.00 0.00 O ATOM 0 H ASP X 29 -11.435 -1.772 6.389 1.00 0.00 H new ATOM 0 HA ASP X 29 -11.657 0.513 4.763 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.485 0.072 7.652 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.086 1.338 6.600 1.00 0.00 H new ATOM 484 N GLU X 30 -9.931 0.838 7.559 1.00 0.00 N ATOM 485 CA GLU X 30 -9.001 1.670 8.310 1.00 0.00 C ATOM 486 C GLU X 30 -7.730 1.907 7.609 1.00 0.00 C ATOM 487 O GLU X 30 -7.170 2.969 7.710 1.00 0.00 O ATOM 488 CB GLU X 30 -8.780 1.334 9.781 1.00 0.00 C ATOM 489 CG GLU X 30 -10.027 1.406 10.635 1.00 0.00 C ATOM 490 CD GLU X 30 -9.707 1.302 12.096 1.00 0.00 C ATOM 491 OE1 GLU X 30 -9.035 0.336 12.512 1.00 0.00 O ATOM 492 OE2 GLU X 30 -10.065 2.230 12.851 1.00 0.00 O ATOM 0 H GLU X 30 -10.161 -0.043 8.018 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.553 2.609 8.351 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -8.363 0.329 9.853 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.035 2.018 10.189 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -10.546 2.345 10.442 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -10.707 0.602 10.354 1.00 0.00 H new ATOM 499 N CYS X 31 -7.214 0.906 6.971 1.00 0.00 N ATOM 500 CA CYS X 31 -5.957 1.076 6.250 1.00 0.00 C ATOM 501 C CYS X 31 -6.082 2.182 5.228 1.00 0.00 C ATOM 502 O CYS X 31 -5.193 3.022 5.106 1.00 0.00 O ATOM 503 CB CYS X 31 -5.471 -0.210 5.569 1.00 0.00 C ATOM 504 SG CYS X 31 -5.089 -1.612 6.661 1.00 0.00 S ATOM 0 H CYS X 31 -7.621 -0.028 6.924 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.209 1.342 6.997 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.234 -0.529 4.859 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.577 0.026 4.992 1.00 0.00 H new ATOM 509 N LYS X 32 -7.189 2.194 4.521 1.00 0.00 N ATOM 510 CA LYS X 32 -7.410 3.193 3.507 1.00 0.00 C ATOM 511 C LYS X 32 -7.483 4.514 4.141 1.00 0.00 C ATOM 512 O LYS X 32 -6.824 5.453 3.717 1.00 0.00 O ATOM 513 CB LYS X 32 -8.660 2.924 2.664 1.00 0.00 C ATOM 514 CG LYS X 32 -8.529 1.818 1.650 1.00 0.00 C ATOM 515 CD LYS X 32 -7.894 0.553 2.169 1.00 0.00 C ATOM 516 CE LYS X 32 -7.819 -0.510 1.067 1.00 0.00 C ATOM 517 NZ LYS X 32 -7.143 -1.742 1.481 1.00 0.00 N ATOM 0 H LYS X 32 -7.949 1.522 4.631 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.568 3.156 2.815 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.485 2.683 3.335 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -8.930 3.842 2.142 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.520 1.578 1.265 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -7.940 2.184 0.809 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -6.892 0.769 2.541 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -8.471 0.170 3.011 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -8.830 -0.753 0.740 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -7.297 -0.092 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -6.314 -1.903 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -6.836 -1.654 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -7.798 -2.544 1.392 1.00 0.00 H new ATOM 531 N LYS X 33 -8.240 4.549 5.226 1.00 0.00 N ATOM 532 CA LYS X 33 -8.467 5.752 5.939 1.00 0.00 C ATOM 533 C LYS X 33 -7.133 6.298 6.466 1.00 0.00 C ATOM 534 O LYS X 33 -6.852 7.467 6.306 1.00 0.00 O ATOM 535 CB LYS X 33 -9.519 5.573 7.075 1.00 0.00 C ATOM 536 CG LYS X 33 -8.935 5.259 8.428 1.00 0.00 C ATOM 537 CD LYS X 33 -10.006 5.196 9.512 1.00 0.00 C ATOM 538 CE LYS X 33 -9.398 5.063 10.913 1.00 0.00 C ATOM 539 NZ LYS X 33 -10.430 5.080 11.983 1.00 0.00 N ATOM 0 H LYS X 33 -8.706 3.732 5.621 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.894 6.484 5.254 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -10.110 6.486 7.152 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -10.204 4.773 6.795 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.408 4.306 8.383 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.198 6.018 8.690 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.620 6.095 9.467 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -10.666 4.349 9.321 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -8.831 4.134 10.973 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -8.693 5.878 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -10.187 5.805 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -11.358 5.299 11.567 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -10.468 4.148 12.444 1.00 0.00 H new ATOM 553 N THR X 34 -6.302 5.408 7.056 1.00 0.00 N ATOM 554 CA THR X 34 -5.044 5.794 7.615 1.00 0.00 C ATOM 555 C THR X 34 -4.161 6.342 6.540 1.00 0.00 C ATOM 556 O THR X 34 -3.504 7.373 6.730 1.00 0.00 O ATOM 557 CB THR X 34 -4.362 4.634 8.342 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.304 4.063 9.277 1.00 0.00 O ATOM 559 CG2 THR X 34 -3.147 5.142 9.108 1.00 0.00 C ATOM 0 H THR X 34 -6.509 4.413 7.143 1.00 0.00 H new ATOM 0 HA THR X 34 -5.227 6.570 8.359 1.00 0.00 H new ATOM 0 HB THR X 34 -4.040 3.886 7.618 1.00 0.00 H new ATOM 0 HG1 THR X 34 -5.853 3.393 8.820 1.00 0.00 H new ATOM 0 HG21 THR X 34 -2.667 4.310 9.623 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.441 5.594 8.412 1.00 0.00 H new ATOM 0 HG23 THR X 34 -3.463 5.887 9.838 1.00 0.00 H new ATOM 567 N CYS X 35 -4.150 5.663 5.400 1.00 0.00 N ATOM 568 CA CYS X 35 -3.387 6.160 4.307 1.00 0.00 C ATOM 569 C CYS X 35 -3.801 7.524 3.806 1.00 0.00 C ATOM 570 O CYS X 35 -2.960 8.371 3.551 1.00 0.00 O ATOM 571 CB CYS X 35 -2.963 5.136 3.262 1.00 0.00 C ATOM 572 SG CYS X 35 -1.395 4.290 3.672 1.00 0.00 S ATOM 0 H CYS X 35 -4.652 4.792 5.228 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.420 6.376 4.760 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -3.751 4.391 3.152 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -2.858 5.633 2.298 1.00 0.00 H new ATOM 577 N PHE X 36 -5.086 7.778 3.714 1.00 0.00 N ATOM 578 CA PHE X 36 -5.505 9.097 3.294 1.00 0.00 C ATOM 579 C PHE X 36 -5.059 10.102 4.364 1.00 0.00 C ATOM 580 O PHE X 36 -4.661 11.237 4.051 1.00 0.00 O ATOM 581 CB PHE X 36 -7.041 9.212 3.180 1.00 0.00 C ATOM 582 CG PHE X 36 -7.759 8.122 2.423 1.00 0.00 C ATOM 583 CD1 PHE X 36 -7.203 7.515 1.313 1.00 0.00 C ATOM 584 CD2 PHE X 36 -9.010 7.703 2.850 1.00 0.00 C ATOM 585 CE1 PHE X 36 -7.883 6.513 0.651 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.694 6.707 2.189 1.00 0.00 C ATOM 587 CZ PHE X 36 -9.132 6.109 1.088 1.00 0.00 C ATOM 0 H PHE X 36 -5.836 7.117 3.916 1.00 0.00 H new ATOM 0 HA PHE X 36 -5.062 9.292 2.317 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.453 9.251 4.188 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -7.274 10.164 2.704 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -6.231 7.827 0.961 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -9.456 8.166 3.717 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -7.438 6.042 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.669 6.397 2.535 1.00 0.00 H new ATOM 0 HZ PHE X 36 -9.663 5.327 0.566 1.00 0.00 H new ATOM 597 N LYS X 37 -5.141 9.675 5.625 1.00 0.00 N ATOM 598 CA LYS X 37 -4.845 10.540 6.729 1.00 0.00 C ATOM 599 C LYS X 37 -3.419 11.110 6.906 1.00 0.00 C ATOM 600 O LYS X 37 -3.337 12.330 7.051 1.00 0.00 O ATOM 601 CB LYS X 37 -5.307 9.938 8.052 1.00 0.00 C ATOM 602 CG LYS X 37 -6.805 9.839 8.199 1.00 0.00 C ATOM 603 CD LYS X 37 -7.180 9.252 9.539 1.00 0.00 C ATOM 604 CE LYS X 37 -8.684 9.212 9.729 1.00 0.00 C ATOM 605 NZ LYS X 37 -9.290 10.560 9.688 1.00 0.00 N ATOM 0 H LYS X 37 -5.413 8.728 5.891 1.00 0.00 H new ATOM 0 HA LYS X 37 -5.421 11.417 6.434 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.877 8.942 8.154 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -4.912 10.541 8.870 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -7.250 10.828 8.094 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -7.212 9.220 7.400 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -6.775 8.243 9.621 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -6.728 9.843 10.335 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -9.130 8.592 8.952 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -8.915 8.741 10.684 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -10.251 10.521 10.084 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -8.711 11.218 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -9.335 10.891 8.703 1.00 0.00 H new ATOM 619 N THR X 38 -2.285 10.302 6.987 1.00 0.00 N ATOM 620 CA THR X 38 -1.072 11.041 7.389 1.00 0.00 C ATOM 621 C THR X 38 -0.465 11.950 6.235 1.00 0.00 C ATOM 622 O THR X 38 -1.201 12.393 5.349 1.00 0.00 O ATOM 623 CB THR X 38 -0.086 9.925 7.739 1.00 0.00 C ATOM 624 OG1 THR X 38 -0.813 8.669 7.781 1.00 0.00 O ATOM 625 CG2 THR X 38 0.547 10.151 9.086 1.00 0.00 C ATOM 0 H THR X 38 -2.207 9.301 6.807 1.00 0.00 H new ATOM 0 HA THR X 38 -1.288 11.735 8.201 1.00 0.00 H new ATOM 0 HB THR X 38 0.701 9.909 6.985 1.00 0.00 H new ATOM 0 HG1 THR X 38 -0.301 8.012 8.297 1.00 0.00 H new ATOM 0 HG21 THR X 38 1.242 9.339 9.302 1.00 0.00 H new ATOM 0 HG22 THR X 38 1.086 11.098 9.080 1.00 0.00 H new ATOM 0 HG23 THR X 38 -0.228 10.179 9.852 1.00 0.00 H new ATOM 633 N GLU X 39 0.889 12.190 6.173 1.00 0.00 N ATOM 634 CA GLU X 39 1.600 12.501 4.922 1.00 0.00 C ATOM 635 C GLU X 39 1.978 11.306 4.126 1.00 0.00 C ATOM 636 O GLU X 39 1.522 11.033 3.026 1.00 0.00 O ATOM 637 CB GLU X 39 2.773 13.492 5.060 1.00 0.00 C ATOM 638 CG GLU X 39 2.391 14.945 5.357 1.00 0.00 C ATOM 639 CD GLU X 39 1.684 15.122 6.666 1.00 0.00 C ATOM 640 OE1 GLU X 39 2.294 14.862 7.721 1.00 0.00 O ATOM 641 OE2 GLU X 39 0.501 15.492 6.676 1.00 0.00 O ATOM 0 H GLU X 39 1.496 12.169 6.993 1.00 0.00 H new ATOM 0 HA GLU X 39 0.841 13.033 4.348 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.429 13.139 5.856 1.00 0.00 H new ATOM 0 HB3 GLU X 39 3.352 13.470 4.137 1.00 0.00 H new ATOM 0 HG2 GLU X 39 3.293 15.557 5.355 1.00 0.00 H new ATOM 0 HG3 GLU X 39 1.752 15.315 4.555 1.00 0.00 H new ATOM 648 N TYR X 40 2.784 10.534 4.861 1.00 0.00 N ATOM 649 CA TYR X 40 3.550 9.404 4.394 1.00 0.00 C ATOM 650 C TYR X 40 2.773 8.281 3.943 1.00 0.00 C ATOM 651 O TYR X 40 3.272 7.467 3.180 1.00 0.00 O ATOM 652 CB TYR X 40 4.690 8.968 5.293 1.00 0.00 C ATOM 653 CG TYR X 40 5.654 10.059 5.652 1.00 0.00 C ATOM 654 CD1 TYR X 40 6.350 10.752 4.672 1.00 0.00 C ATOM 655 CD2 TYR X 40 5.883 10.383 6.972 1.00 0.00 C ATOM 656 CE1 TYR X 40 7.242 11.743 5.011 1.00 0.00 C ATOM 657 CE2 TYR X 40 6.767 11.369 7.315 1.00 0.00 C ATOM 658 CZ TYR X 40 7.443 12.045 6.338 1.00 0.00 C ATOM 659 OH TYR X 40 8.323 13.032 6.693 1.00 0.00 O ATOM 0 H TYR X 40 2.918 10.703 5.858 1.00 0.00 H new ATOM 0 HA TYR X 40 4.020 9.824 3.505 1.00 0.00 H new ATOM 0 HB2 TYR X 40 4.273 8.553 6.211 1.00 0.00 H new ATOM 0 HB3 TYR X 40 5.238 8.165 4.800 1.00 0.00 H new ATOM 0 HD1 TYR X 40 6.190 10.511 3.632 1.00 0.00 H new ATOM 0 HD2 TYR X 40 5.356 9.849 7.749 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.779 12.279 4.243 1.00 0.00 H new ATOM 0 HE2 TYR X 40 6.930 11.613 8.354 1.00 0.00 H new ATOM 0 HH TYR X 40 8.344 13.116 7.669 1.00 0.00 H new ATOM 669 N CYS X 41 1.627 8.116 4.528 1.00 0.00 N ATOM 670 CA CYS X 41 0.857 6.933 4.242 1.00 0.00 C ATOM 671 C CYS X 41 0.301 7.021 2.809 1.00 0.00 C ATOM 672 O CYS X 41 -0.759 7.507 2.563 1.00 0.00 O ATOM 673 CB CYS X 41 -0.219 6.726 5.308 1.00 0.00 C ATOM 674 SG CYS X 41 -0.887 5.002 5.519 1.00 0.00 S ATOM 0 H CYS X 41 1.206 8.766 5.192 1.00 0.00 H new ATOM 0 HA CYS X 41 1.490 6.046 4.284 1.00 0.00 H new ATOM 0 HB2 CYS X 41 0.188 7.050 6.266 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -1.055 7.386 5.077 1.00 0.00 H new ATOM 679 N TYR X 42 1.135 6.687 1.878 1.00 0.00 N ATOM 680 CA TYR X 42 0.804 6.695 0.482 1.00 0.00 C ATOM 681 C TYR X 42 1.218 5.398 -0.165 1.00 0.00 C ATOM 682 O TYR X 42 1.214 5.272 -1.390 1.00 0.00 O ATOM 683 CB TYR X 42 1.405 7.939 -0.250 1.00 0.00 C ATOM 684 CG TYR X 42 2.834 8.325 0.148 1.00 0.00 C ATOM 685 CD1 TYR X 42 3.847 7.389 0.210 1.00 0.00 C ATOM 686 CD2 TYR X 42 3.146 9.639 0.489 1.00 0.00 C ATOM 687 CE1 TYR X 42 5.120 7.741 0.594 1.00 0.00 C ATOM 688 CE2 TYR X 42 4.432 10.001 0.874 1.00 0.00 C ATOM 689 CZ TYR X 42 5.418 9.043 0.924 1.00 0.00 C ATOM 690 OH TYR X 42 6.718 9.390 1.312 1.00 0.00 O ATOM 0 H TYR X 42 2.093 6.392 2.069 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.279 6.781 0.390 1.00 0.00 H new ATOM 0 HB2 TYR X 42 1.386 7.749 -1.323 1.00 0.00 H new ATOM 0 HB3 TYR X 42 0.754 8.794 -0.066 1.00 0.00 H new ATOM 0 HD1 TYR X 42 3.636 6.362 -0.048 1.00 0.00 H new ATOM 0 HD2 TYR X 42 2.373 10.392 0.454 1.00 0.00 H new ATOM 0 HE1 TYR X 42 5.893 6.988 0.637 1.00 0.00 H new ATOM 0 HE2 TYR X 42 4.655 11.026 1.132 1.00 0.00 H new ATOM 0 HH TYR X 42 7.364 8.844 0.817 1.00 0.00 H new ATOM 700 N ILE X 43 1.594 4.428 0.659 1.00 0.00 N ATOM 701 CA ILE X 43 1.905 3.105 0.169 1.00 0.00 C ATOM 702 C ILE X 43 1.300 2.121 1.105 1.00 0.00 C ATOM 703 O ILE X 43 1.207 2.388 2.297 1.00 0.00 O ATOM 704 CB ILE X 43 3.441 2.837 -0.070 1.00 0.00 C ATOM 705 CG1 ILE X 43 3.910 3.587 -1.331 1.00 0.00 C ATOM 706 CG2 ILE X 43 3.786 1.343 -0.138 1.00 0.00 C ATOM 707 CD1 ILE X 43 5.105 2.981 -2.027 1.00 0.00 C ATOM 0 H ILE X 43 1.689 4.540 1.668 1.00 0.00 H new ATOM 0 HA ILE X 43 1.476 3.003 -0.828 1.00 0.00 H new ATOM 0 HB ILE X 43 3.981 3.222 0.795 1.00 0.00 H new ATOM 0 HG12 ILE X 43 3.081 3.632 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE X 43 4.151 4.614 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE X 43 4.857 1.224 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.509 0.862 0.800 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.238 0.880 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE X 43 5.359 3.580 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE X 43 5.953 2.961 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE X 43 4.867 1.964 -2.340 1.00 0.00 H new ATOM 719 N VAL X 44 0.813 1.041 0.597 1.00 0.00 N ATOM 720 CA VAL X 44 0.194 0.067 1.434 1.00 0.00 C ATOM 721 C VAL X 44 0.678 -1.318 1.005 1.00 0.00 C ATOM 722 O VAL X 44 1.036 -1.531 -0.178 1.00 0.00 O ATOM 723 CB VAL X 44 -1.352 0.124 1.329 1.00 0.00 C ATOM 724 CG1 VAL X 44 -2.057 -0.624 2.454 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.911 1.542 1.127 1.00 0.00 C ATOM 0 H VAL X 44 0.831 0.808 -0.396 1.00 0.00 H new ATOM 0 HA VAL X 44 0.466 0.273 2.469 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.585 -0.414 0.410 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -3.136 -0.546 2.323 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.764 -1.674 2.433 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.776 -0.188 3.413 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -2.998 1.499 1.063 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.622 2.170 1.969 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.510 1.963 0.205 1.00 0.00 H new ATOM 735 N PHE X 45 0.784 -2.214 1.952 1.00 0.00 N ATOM 736 CA PHE X 45 1.120 -3.579 1.680 1.00 0.00 C ATOM 737 C PHE X 45 0.037 -4.454 2.253 1.00 0.00 C ATOM 738 O PHE X 45 -0.331 -4.335 3.415 1.00 0.00 O ATOM 739 CB PHE X 45 2.482 -3.950 2.284 1.00 0.00 C ATOM 740 CG PHE X 45 3.648 -3.506 1.461 1.00 0.00 C ATOM 741 CD1 PHE X 45 3.994 -2.173 1.371 1.00 0.00 C ATOM 742 CD2 PHE X 45 4.392 -4.434 0.760 1.00 0.00 C ATOM 743 CE1 PHE X 45 5.051 -1.775 0.602 1.00 0.00 C ATOM 744 CE2 PHE X 45 5.457 -4.038 -0.012 1.00 0.00 C ATOM 745 CZ PHE X 45 5.785 -2.698 -0.088 1.00 0.00 C ATOM 0 H PHE X 45 0.637 -2.010 2.941 1.00 0.00 H new ATOM 0 HA PHE X 45 1.195 -3.725 0.602 1.00 0.00 H new ATOM 0 HB2 PHE X 45 2.561 -3.508 3.277 1.00 0.00 H new ATOM 0 HB3 PHE X 45 2.530 -5.031 2.412 1.00 0.00 H new ATOM 0 HD1 PHE X 45 3.422 -1.436 1.915 1.00 0.00 H new ATOM 0 HD2 PHE X 45 4.134 -5.481 0.819 1.00 0.00 H new ATOM 0 HE1 PHE X 45 5.307 -0.728 0.539 1.00 0.00 H new ATOM 0 HE2 PHE X 45 6.035 -4.770 -0.557 1.00 0.00 H new ATOM 0 HZ PHE X 45 6.621 -2.380 -0.693 1.00 0.00 H new ATOM 755 N GLU X 46 -0.444 -5.351 1.481 1.00 0.00 N ATOM 756 CA GLU X 46 -1.550 -6.170 1.919 1.00 0.00 C ATOM 757 C GLU X 46 -1.147 -7.622 1.794 1.00 0.00 C ATOM 758 O GLU X 46 -0.707 -8.051 0.733 1.00 0.00 O ATOM 759 CB GLU X 46 -2.790 -5.828 1.075 1.00 0.00 C ATOM 760 CG GLU X 46 -3.101 -4.320 1.072 1.00 0.00 C ATOM 761 CD GLU X 46 -4.200 -3.908 0.124 1.00 0.00 C ATOM 762 OE1 GLU X 46 -4.116 -4.256 -1.081 1.00 0.00 O ATOM 763 OE2 GLU X 46 -5.146 -3.201 0.569 1.00 0.00 O ATOM 0 H GLU X 46 -0.103 -5.551 0.541 1.00 0.00 H new ATOM 0 HA GLU X 46 -1.803 -5.979 2.962 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -2.633 -6.166 0.051 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -3.651 -6.373 1.462 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -3.378 -4.017 2.082 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -2.193 -3.775 0.814 1.00 0.00 H new ATOM 770 N ASP X 47 -1.233 -8.357 2.874 1.00 0.00 N ATOM 771 CA ASP X 47 -0.785 -9.744 2.870 1.00 0.00 C ATOM 772 C ASP X 47 -1.977 -10.639 2.704 1.00 0.00 C ATOM 773 O ASP X 47 -2.947 -10.541 3.473 1.00 0.00 O ATOM 774 CB ASP X 47 -0.053 -10.095 4.168 1.00 0.00 C ATOM 775 CG ASP X 47 0.661 -11.437 4.100 1.00 0.00 C ATOM 776 OD1 ASP X 47 0.000 -12.471 3.975 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.880 -11.475 4.231 1.00 0.00 O ATOM 0 H ASP X 47 -1.605 -8.030 3.766 1.00 0.00 H new ATOM 0 HA ASP X 47 -0.088 -9.884 2.044 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.673 -9.314 4.393 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -0.769 -10.111 4.990 1.00 0.00 H new ATOM 782 N THR X 48 -1.929 -11.490 1.735 1.00 0.00 N ATOM 783 CA THR X 48 -3.035 -12.350 1.446 1.00 0.00 C ATOM 784 C THR X 48 -2.886 -13.732 2.128 1.00 0.00 C ATOM 785 O THR X 48 -3.875 -14.410 2.408 1.00 0.00 O ATOM 786 CB THR X 48 -3.208 -12.480 -0.078 1.00 0.00 C ATOM 787 OG1 THR X 48 -3.278 -11.151 -0.655 1.00 0.00 O ATOM 788 CG2 THR X 48 -4.481 -13.236 -0.421 1.00 0.00 C ATOM 0 H THR X 48 -1.125 -11.612 1.120 1.00 0.00 H new ATOM 0 HA THR X 48 -3.938 -11.902 1.861 1.00 0.00 H new ATOM 0 HB THR X 48 -2.359 -13.032 -0.480 1.00 0.00 H new ATOM 0 HG1 THR X 48 -3.387 -11.221 -1.626 1.00 0.00 H new ATOM 0 HG21 THR X 48 -4.578 -13.313 -1.504 1.00 0.00 H new ATOM 0 HG22 THR X 48 -4.438 -14.236 0.011 1.00 0.00 H new ATOM 0 HG23 THR X 48 -5.341 -12.702 -0.017 1.00 0.00 H new ATOM 796 N VAL X 49 -1.669 -14.100 2.470 1.00 0.00 N ATOM 797 CA VAL X 49 -1.405 -15.411 3.063 1.00 0.00 C ATOM 798 C VAL X 49 -1.767 -15.381 4.544 1.00 0.00 C ATOM 799 O VAL X 49 -2.468 -16.247 5.066 1.00 0.00 O ATOM 800 CB VAL X 49 0.093 -15.805 2.897 1.00 0.00 C ATOM 801 CG1 VAL X 49 0.372 -17.178 3.489 1.00 0.00 C ATOM 802 CG2 VAL X 49 0.500 -15.765 1.429 1.00 0.00 C ATOM 0 H VAL X 49 -0.841 -13.516 2.351 1.00 0.00 H new ATOM 0 HA VAL X 49 -2.014 -16.154 2.548 1.00 0.00 H new ATOM 0 HB VAL X 49 0.691 -15.076 3.444 1.00 0.00 H new ATOM 0 HG11 VAL X 49 1.426 -17.424 3.357 1.00 0.00 H new ATOM 0 HG12 VAL X 49 0.131 -17.172 4.552 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -0.241 -17.924 2.983 1.00 0.00 H new ATOM 0 HG21 VAL X 49 1.550 -16.043 1.335 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.113 -16.465 0.862 1.00 0.00 H new ATOM 0 HG23 VAL X 49 0.355 -14.758 1.039 1.00 0.00 H new ATOM 812 N ASN X 50 -1.338 -14.341 5.171 1.00 0.00 N ATOM 813 CA ASN X 50 -1.544 -14.093 6.582 1.00 0.00 C ATOM 814 C ASN X 50 -2.846 -13.387 6.799 1.00 0.00 C ATOM 815 O ASN X 50 -3.380 -13.391 7.911 1.00 0.00 O ATOM 816 CB ASN X 50 -0.404 -13.211 7.118 1.00 0.00 C ATOM 817 CG ASN X 50 0.932 -13.916 7.107 1.00 0.00 C ATOM 818 OD1 ASN X 50 1.663 -13.793 6.023 1.00 0.00 O flip ATOM 819 ND2 ASN X 50 1.311 -14.558 8.085 1.00 0.00 N flip ATOM 0 H ASN X 50 -0.810 -13.601 4.708 1.00 0.00 H new ATOM 0 HA ASN X 50 -1.559 -15.048 7.108 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -0.337 -12.305 6.516 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -0.638 -12.901 8.136 1.00 0.00 H new ATOM 0 HD21 ASN X 50 0.715 -14.631 8.909 1.00 0.00 H new ATOM 0 HD22 ASN X 50 2.222 -15.018 8.072 1.00 0.00 H new ATOM 826 N LYS X 51 -3.378 -12.829 5.716 1.00 0.00 N ATOM 827 CA LYS X 51 -4.558 -11.985 5.739 1.00 0.00 C ATOM 828 C LYS X 51 -4.394 -10.864 6.750 1.00 0.00 C ATOM 829 O LYS X 51 -5.033 -10.841 7.813 1.00 0.00 O ATOM 830 CB LYS X 51 -5.848 -12.784 5.927 1.00 0.00 C ATOM 831 CG LYS X 51 -6.128 -13.744 4.779 1.00 0.00 C ATOM 832 CD LYS X 51 -7.367 -14.561 5.039 1.00 0.00 C ATOM 833 CE LYS X 51 -7.680 -15.501 3.878 1.00 0.00 C ATOM 834 NZ LYS X 51 -8.881 -16.334 4.146 1.00 0.00 N ATOM 0 H LYS X 51 -2.990 -12.956 4.781 1.00 0.00 H new ATOM 0 HA LYS X 51 -4.656 -11.520 4.758 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -5.787 -13.348 6.858 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -6.685 -12.093 6.027 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -6.248 -13.182 3.853 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -5.274 -14.408 4.641 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -7.234 -15.142 5.952 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -8.213 -13.895 5.206 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -7.838 -14.917 2.971 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -6.823 -16.149 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -9.059 -16.958 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -8.721 -16.910 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -9.705 -15.717 4.296 1.00 0.00 H new ATOM 848 N GLU X 52 -3.455 -9.994 6.441 1.00 0.00 N ATOM 849 CA GLU X 52 -3.095 -8.874 7.281 1.00 0.00 C ATOM 850 C GLU X 52 -2.949 -7.633 6.426 1.00 0.00 C ATOM 851 O GLU X 52 -2.755 -7.739 5.209 1.00 0.00 O ATOM 852 CB GLU X 52 -1.787 -9.139 8.045 1.00 0.00 C ATOM 853 CG GLU X 52 -1.863 -10.251 9.061 1.00 0.00 C ATOM 854 CD GLU X 52 -0.722 -10.204 10.031 1.00 0.00 C ATOM 855 OE1 GLU X 52 -0.793 -9.413 10.988 1.00 0.00 O ATOM 856 OE2 GLU X 52 0.267 -10.935 9.872 1.00 0.00 O ATOM 0 H GLU X 52 -2.910 -10.048 5.580 1.00 0.00 H new ATOM 0 HA GLU X 52 -3.886 -8.729 8.017 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -1.004 -9.376 7.325 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -1.487 -8.222 8.552 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -2.805 -10.181 9.605 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -1.863 -11.212 8.547 1.00 0.00 H new ATOM 863 N CYS X 53 -2.990 -6.472 7.038 1.00 0.00 N ATOM 864 CA CYS X 53 -2.928 -5.252 6.302 1.00 0.00 C ATOM 865 C CYS X 53 -1.871 -4.402 6.920 1.00 0.00 C ATOM 866 O CYS X 53 -1.908 -4.144 8.122 1.00 0.00 O ATOM 867 CB CYS X 53 -4.288 -4.538 6.341 1.00 0.00 C ATOM 868 SG CYS X 53 -4.373 -3.000 5.362 1.00 0.00 S ATOM 0 H CYS X 53 -3.066 -6.357 8.049 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.688 -5.448 5.257 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -5.054 -5.225 5.980 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.531 -4.306 7.378 1.00 0.00 H new ATOM 873 N TYR X 54 -0.918 -4.000 6.133 1.00 0.00 N ATOM 874 CA TYR X 54 0.154 -3.195 6.609 1.00 0.00 C ATOM 875 C TYR X 54 0.131 -1.928 5.820 1.00 0.00 C ATOM 876 O TYR X 54 0.154 -1.947 4.601 1.00 0.00 O ATOM 877 CB TYR X 54 1.509 -3.886 6.343 1.00 0.00 C ATOM 878 CG TYR X 54 1.805 -5.176 7.099 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.021 -6.314 6.944 1.00 0.00 C ATOM 880 CD2 TYR X 54 2.898 -5.253 7.947 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.320 -7.484 7.614 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.205 -6.421 8.615 1.00 0.00 C ATOM 883 CZ TYR X 54 2.414 -7.535 8.442 1.00 0.00 C ATOM 884 OH TYR X 54 2.710 -8.699 9.125 1.00 0.00 O ATOM 0 H TYR X 54 -0.867 -4.225 5.139 1.00 0.00 H new ATOM 0 HA TYR X 54 0.042 -3.025 7.680 1.00 0.00 H new ATOM 0 HB2 TYR X 54 1.573 -4.100 5.276 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.300 -3.173 6.573 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.163 -6.282 6.288 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.522 -4.383 8.088 1.00 0.00 H new ATOM 0 HE1 TYR X 54 0.695 -8.356 7.487 1.00 0.00 H new ATOM 0 HE2 TYR X 54 4.062 -6.461 9.271 1.00 0.00 H new ATOM 0 HH TYR X 54 3.516 -8.565 9.666 1.00 0.00 H new ATOM 894 N TYR X 55 0.120 -0.856 6.472 1.00 0.00 N ATOM 895 CA TYR X 55 0.130 0.397 5.764 1.00 0.00 C ATOM 896 C TYR X 55 1.427 1.142 5.969 1.00 0.00 C ATOM 897 O TYR X 55 1.938 1.220 7.102 1.00 0.00 O ATOM 898 CB TYR X 55 -1.168 1.236 5.988 1.00 0.00 C ATOM 899 CG TYR X 55 -1.679 1.290 7.421 1.00 0.00 C ATOM 900 CD1 TYR X 55 -1.090 2.094 8.372 1.00 0.00 C ATOM 901 CD2 TYR X 55 -2.782 0.535 7.802 1.00 0.00 C ATOM 902 CE1 TYR X 55 -1.582 2.147 9.663 1.00 0.00 C ATOM 903 CE2 TYR X 55 -3.280 0.578 9.087 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.673 1.387 10.014 1.00 0.00 C ATOM 905 OH TYR X 55 -3.169 1.458 11.295 1.00 0.00 O ATOM 0 H TYR X 55 0.104 -0.787 7.490 1.00 0.00 H new ATOM 0 HA TYR X 55 0.101 0.176 4.697 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.983 2.255 5.649 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.956 0.828 5.356 1.00 0.00 H new ATOM 0 HD1 TYR X 55 -0.231 2.692 8.105 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -3.261 -0.102 7.073 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -1.110 2.785 10.395 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -4.138 -0.018 9.361 1.00 0.00 H new ATOM 0 HH TYR X 55 -3.941 0.861 11.380 1.00 0.00 H new ATOM 915 N ASN X 56 2.004 1.607 4.862 1.00 0.00 N ATOM 916 CA ASN X 56 3.293 2.329 4.889 1.00 0.00 C ATOM 917 C ASN X 56 3.108 3.664 5.489 1.00 0.00 C ATOM 918 O ASN X 56 2.453 4.533 4.884 1.00 0.00 O ATOM 919 CB ASN X 56 3.910 2.431 3.481 1.00 0.00 C ATOM 920 CG ASN X 56 5.075 3.396 3.387 1.00 0.00 C ATOM 921 OD1 ASN X 56 6.222 3.039 3.587 1.00 0.00 O ATOM 922 ND2 ASN X 56 4.784 4.619 3.069 1.00 0.00 N ATOM 0 H ASN X 56 1.605 1.501 3.929 1.00 0.00 H new ATOM 0 HA ASN X 56 3.993 1.764 5.505 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.245 1.442 3.170 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.137 2.741 2.778 1.00 0.00 H new ATOM 0 HD21 ASN X 56 5.526 5.313 2.980 1.00 0.00 H new ATOM 0 HD22 ASN X 56 3.813 4.887 2.908 1.00 0.00 H new ATOM 929 N VAL X 57 3.726 3.850 6.659 1.00 0.00 N ATOM 930 CA VAL X 57 3.477 5.073 7.452 1.00 0.00 C ATOM 931 C VAL X 57 4.653 6.015 7.468 1.00 0.00 C ATOM 932 O VAL X 57 4.597 7.091 8.077 1.00 0.00 O ATOM 933 CB VAL X 57 3.019 4.787 8.916 1.00 0.00 C ATOM 934 CG1 VAL X 57 1.696 4.061 8.934 1.00 0.00 C ATOM 935 CG2 VAL X 57 4.064 3.999 9.695 1.00 0.00 C ATOM 0 H VAL X 57 4.386 3.193 7.076 1.00 0.00 H new ATOM 0 HA VAL X 57 2.651 5.558 6.932 1.00 0.00 H new ATOM 0 HB VAL X 57 2.897 5.752 9.407 1.00 0.00 H new ATOM 0 HG11 VAL X 57 1.398 3.873 9.966 1.00 0.00 H new ATOM 0 HG12 VAL X 57 0.939 4.672 8.443 1.00 0.00 H new ATOM 0 HG13 VAL X 57 1.794 3.112 8.406 1.00 0.00 H new ATOM 0 HG21 VAL X 57 3.705 3.822 10.709 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.242 3.044 9.201 1.00 0.00 H new ATOM 0 HG23 VAL X 57 4.994 4.567 9.734 1.00 0.00 H new ATOM 945 N VAL X 58 5.709 5.625 6.833 1.00 0.00 N ATOM 946 CA VAL X 58 6.887 6.472 6.742 1.00 0.00 C ATOM 947 C VAL X 58 7.142 6.663 5.259 1.00 0.00 C ATOM 948 O VAL X 58 6.266 6.353 4.468 1.00 0.00 O ATOM 949 CB VAL X 58 8.121 5.843 7.502 1.00 0.00 C ATOM 950 CG1 VAL X 58 9.241 6.853 7.752 1.00 0.00 C ATOM 951 CG2 VAL X 58 7.693 5.247 8.821 1.00 0.00 C ATOM 0 H VAL X 58 5.795 4.724 6.363 1.00 0.00 H new ATOM 0 HA VAL X 58 6.731 7.434 7.230 1.00 0.00 H new ATOM 0 HB VAL X 58 8.511 5.063 6.848 1.00 0.00 H new ATOM 0 HG11 VAL X 58 10.061 6.364 8.277 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.600 7.241 6.799 1.00 0.00 H new ATOM 0 HG13 VAL X 58 8.861 7.675 8.359 1.00 0.00 H new ATOM 0 HG21 VAL X 58 8.560 4.820 9.326 1.00 0.00 H new ATOM 0 HG22 VAL X 58 7.255 6.025 9.447 1.00 0.00 H new ATOM 0 HG23 VAL X 58 6.954 4.465 8.644 1.00 0.00 H new ATOM 961 N ASP X 59 8.247 7.237 4.892 1.00 0.00 N ATOM 962 CA ASP X 59 8.596 7.440 3.512 1.00 0.00 C ATOM 963 C ASP X 59 8.506 6.123 2.770 1.00 0.00 C ATOM 964 O ASP X 59 9.143 5.129 3.120 1.00 0.00 O ATOM 965 CB ASP X 59 9.981 8.100 3.343 1.00 0.00 C ATOM 966 CG ASP X 59 11.126 7.269 3.874 1.00 0.00 C ATOM 967 OD1 ASP X 59 11.382 7.313 5.096 1.00 0.00 O ATOM 968 OD2 ASP X 59 11.797 6.560 3.098 1.00 0.00 O ATOM 0 H ASP X 59 8.945 7.584 5.550 1.00 0.00 H new ATOM 0 HA ASP X 59 7.881 8.140 3.079 1.00 0.00 H new ATOM 0 HB2 ASP X 59 10.150 8.300 2.285 1.00 0.00 H new ATOM 0 HB3 ASP X 59 9.978 9.064 3.853 1.00 0.00 H new ATOM 973 N GLY X 60 7.648 6.129 1.821 1.00 0.00 N ATOM 974 CA GLY X 60 7.312 4.949 1.098 1.00 0.00 C ATOM 975 C GLY X 60 7.413 5.095 -0.385 1.00 0.00 C ATOM 976 O GLY X 60 7.608 4.135 -1.043 1.00 0.00 O ATOM 0 H GLY X 60 7.148 6.964 1.515 1.00 0.00 H new ATOM 0 HA2 GLY X 60 7.968 4.140 1.419 1.00 0.00 H new ATOM 0 HA3 GLY X 60 6.294 4.655 1.355 1.00 0.00 H new ATOM 980 N GLU X 61 7.342 6.321 -0.929 1.00 0.00 N ATOM 981 CA GLU X 61 7.467 6.524 -2.403 1.00 0.00 C ATOM 982 C GLU X 61 8.864 6.221 -2.795 1.00 0.00 C ATOM 983 O GLU X 61 9.219 6.078 -3.962 1.00 0.00 O ATOM 984 CB GLU X 61 7.162 7.939 -2.831 1.00 0.00 C ATOM 985 CG GLU X 61 5.751 8.367 -2.638 1.00 0.00 C ATOM 986 CD GLU X 61 5.503 9.674 -3.287 1.00 0.00 C ATOM 987 OE1 GLU X 61 5.922 10.705 -2.748 1.00 0.00 O ATOM 988 OE2 GLU X 61 4.882 9.692 -4.373 1.00 0.00 O ATOM 0 H GLU X 61 7.202 7.178 -0.393 1.00 0.00 H new ATOM 0 HA GLU X 61 6.744 5.867 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU X 61 7.810 8.617 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU X 61 7.417 8.046 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU X 61 5.079 7.616 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU X 61 5.530 8.437 -1.573 1.00 0.00 H new ATOM 995 N GLU X 62 9.652 6.268 -1.785 1.00 0.00 N ATOM 996 CA GLU X 62 11.016 5.967 -1.763 1.00 0.00 C ATOM 997 C GLU X 62 11.200 4.470 -2.062 1.00 0.00 C ATOM 998 O GLU X 62 12.291 4.026 -2.387 1.00 0.00 O ATOM 999 CB GLU X 62 11.553 6.379 -0.378 1.00 0.00 C ATOM 1000 CG GLU X 62 11.498 7.922 -0.070 1.00 0.00 C ATOM 1001 CD GLU X 62 10.132 8.623 -0.339 1.00 0.00 C ATOM 1002 OE1 GLU X 62 9.088 8.251 0.267 1.00 0.00 O ATOM 1003 OE2 GLU X 62 10.074 9.482 -1.249 1.00 0.00 O ATOM 0 H GLU X 62 9.312 6.548 -0.865 1.00 0.00 H new ATOM 0 HA GLU X 62 11.578 6.509 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU X 62 10.983 5.852 0.387 1.00 0.00 H new ATOM 0 HB3 GLU X 62 12.587 6.044 -0.292 1.00 0.00 H new ATOM 0 HG2 GLU X 62 11.762 8.073 0.977 1.00 0.00 H new ATOM 0 HG3 GLU X 62 12.263 8.419 -0.667 1.00 0.00 H new ATOM 1010 N LEU X 63 10.111 3.702 -1.916 1.00 0.00 N ATOM 1011 CA LEU X 63 10.069 2.323 -2.373 1.00 0.00 C ATOM 1012 C LEU X 63 9.726 2.362 -3.835 1.00 0.00 C ATOM 1013 O LEU X 63 8.592 2.693 -4.197 1.00 0.00 O ATOM 1014 CB LEU X 63 9.023 1.503 -1.608 1.00 0.00 C ATOM 1015 CG LEU X 63 9.354 1.170 -0.166 1.00 0.00 C ATOM 1016 CD1 LEU X 63 8.118 0.610 0.528 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.498 0.156 -0.131 1.00 0.00 C ATOM 0 H LEU X 63 9.246 4.024 -1.481 1.00 0.00 H new ATOM 0 HA LEU X 63 11.032 1.842 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU X 63 8.080 2.050 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.860 0.569 -2.146 1.00 0.00 H new ATOM 0 HG LEU X 63 9.667 2.072 0.360 1.00 0.00 H new ATOM 0 HD11 LEU X 63 8.359 0.372 1.564 1.00 0.00 H new ATOM 0 HD12 LEU X 63 7.319 1.351 0.503 1.00 0.00 H new ATOM 0 HD13 LEU X 63 7.791 -0.294 0.014 1.00 0.00 H new ATOM 0 HD21 LEU X 63 10.739 -0.086 0.904 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.196 -0.751 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.376 0.581 -0.618 1.00 0.00 H new ATOM 1029 N ASP X 64 10.677 2.089 -4.679 1.00 0.00 N ATOM 1030 CA ASP X 64 10.416 2.215 -6.085 1.00 0.00 C ATOM 1031 C ASP X 64 10.010 0.884 -6.699 1.00 0.00 C ATOM 1032 O ASP X 64 10.699 -0.133 -6.567 1.00 0.00 O ATOM 1033 CB ASP X 64 11.569 2.878 -6.811 1.00 0.00 C ATOM 1034 CG ASP X 64 11.232 3.284 -8.237 1.00 0.00 C ATOM 1035 OD1 ASP X 64 10.039 3.352 -8.596 1.00 0.00 O ATOM 1036 OD2 ASP X 64 12.165 3.592 -9.006 1.00 0.00 O ATOM 0 H ASP X 64 11.618 1.785 -4.429 1.00 0.00 H new ATOM 0 HA ASP X 64 9.561 2.880 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP X 64 11.880 3.762 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP X 64 12.419 2.196 -6.827 1.00 0.00 H new ATOM 1041 N GLN X 65 8.930 0.960 -7.413 1.00 0.00 N ATOM 1042 CA GLN X 65 8.144 -0.142 -7.968 1.00 0.00 C ATOM 1043 C GLN X 65 8.972 -1.164 -8.795 1.00 0.00 C ATOM 1044 O GLN X 65 8.816 -2.386 -8.643 1.00 0.00 O ATOM 1045 CB GLN X 65 7.096 0.521 -8.844 1.00 0.00 C ATOM 1046 CG GLN X 65 6.054 -0.357 -9.446 1.00 0.00 C ATOM 1047 CD GLN X 65 5.193 0.425 -10.414 1.00 0.00 C ATOM 1048 OE1 GLN X 65 4.171 1.012 -10.051 1.00 0.00 O ATOM 1049 NE2 GLN X 65 5.616 0.481 -11.649 1.00 0.00 N ATOM 0 H GLN X 65 8.526 1.865 -7.653 1.00 0.00 H new ATOM 0 HA GLN X 65 7.721 -0.734 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN X 65 6.592 1.283 -8.249 1.00 0.00 H new ATOM 0 HB3 GLN X 65 7.611 1.037 -9.654 1.00 0.00 H new ATOM 0 HG2 GLN X 65 6.528 -1.191 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN X 65 5.431 -0.783 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN X 65 6.465 -0.015 -11.920 1.00 0.00 H new ATOM 0 HE22 GLN X 65 5.097 1.021 -12.342 1.00 0.00 H new ATOM 1058 N GLU X 66 9.876 -0.686 -9.637 1.00 0.00 N ATOM 1059 CA GLU X 66 10.635 -1.614 -10.494 1.00 0.00 C ATOM 1060 C GLU X 66 11.752 -2.278 -9.733 1.00 0.00 C ATOM 1061 O GLU X 66 12.244 -3.326 -10.122 1.00 0.00 O ATOM 1062 CB GLU X 66 11.219 -0.954 -11.749 1.00 0.00 C ATOM 1063 CG GLU X 66 10.221 -0.254 -12.640 1.00 0.00 C ATOM 1064 CD GLU X 66 9.842 1.091 -12.120 1.00 0.00 C ATOM 1065 OE1 GLU X 66 10.741 1.947 -11.962 1.00 0.00 O ATOM 1066 OE2 GLU X 66 8.655 1.311 -11.833 1.00 0.00 O ATOM 0 H GLU X 66 10.104 0.301 -9.752 1.00 0.00 H new ATOM 0 HA GLU X 66 9.906 -2.357 -10.816 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.974 -0.231 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.730 -1.718 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU X 66 10.642 -0.149 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU X 66 9.327 -0.870 -12.734 1.00 0.00 H new ATOM 1073 N LYS X 67 12.116 -1.691 -8.626 1.00 0.00 N ATOM 1074 CA LYS X 67 13.228 -2.170 -7.842 1.00 0.00 C ATOM 1075 C LYS X 67 12.744 -3.164 -6.792 1.00 0.00 C ATOM 1076 O LYS X 67 13.458 -3.537 -5.863 1.00 0.00 O ATOM 1077 CB LYS X 67 14.033 -0.995 -7.245 1.00 0.00 C ATOM 1078 CG LYS X 67 14.706 -0.084 -8.306 1.00 0.00 C ATOM 1079 CD LYS X 67 13.700 0.777 -9.083 1.00 0.00 C ATOM 1080 CE LYS X 67 14.329 1.465 -10.280 1.00 0.00 C ATOM 1081 NZ LYS X 67 13.373 2.372 -10.970 1.00 0.00 N ATOM 0 H LYS X 67 11.653 -0.868 -8.240 1.00 0.00 H new ATOM 0 HA LYS X 67 13.920 -2.708 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS X 67 13.368 -0.388 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS X 67 14.802 -1.394 -6.584 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.428 0.567 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.264 -0.704 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS X 67 12.874 0.150 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.278 1.529 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS X 67 15.199 2.036 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS X 67 14.687 0.713 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 13.817 2.755 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 12.517 1.842 -11.230 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 13.116 3.154 -10.334 1.00 0.00 H new ATOM 1095 N PHE X 68 11.520 -3.585 -6.976 1.00 0.00 N ATOM 1096 CA PHE X 68 10.922 -4.633 -6.214 1.00 0.00 C ATOM 1097 C PHE X 68 11.263 -5.984 -6.826 1.00 0.00 C ATOM 1098 O PHE X 68 11.450 -6.109 -8.036 1.00 0.00 O ATOM 1099 CB PHE X 68 9.393 -4.436 -6.040 1.00 0.00 C ATOM 1100 CG PHE X 68 9.025 -3.626 -4.817 1.00 0.00 C ATOM 1101 CD1 PHE X 68 9.660 -2.431 -4.546 1.00 0.00 C ATOM 1102 CD2 PHE X 68 8.085 -4.099 -3.893 1.00 0.00 C ATOM 1103 CE1 PHE X 68 9.374 -1.723 -3.402 1.00 0.00 C ATOM 1104 CE2 PHE X 68 7.814 -3.401 -2.753 1.00 0.00 C ATOM 1105 CZ PHE X 68 8.452 -2.218 -2.499 1.00 0.00 C ATOM 0 H PHE X 68 10.899 -3.192 -7.683 1.00 0.00 H new ATOM 0 HA PHE X 68 11.340 -4.601 -5.208 1.00 0.00 H new ATOM 0 HB2 PHE X 68 8.995 -3.942 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE X 68 8.914 -5.413 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE X 68 10.391 -2.047 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE X 68 7.568 -5.028 -4.085 1.00 0.00 H new ATOM 0 HE1 PHE X 68 9.869 -0.782 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE X 68 7.092 -3.784 -2.047 1.00 0.00 H new ATOM 0 HZ PHE X 68 8.235 -1.671 -1.593 1.00 0.00 H new ATOM 1115 N VAL X 69 11.361 -6.955 -5.986 1.00 0.00 N ATOM 1116 CA VAL X 69 11.695 -8.335 -6.317 1.00 0.00 C ATOM 1117 C VAL X 69 10.462 -9.073 -5.871 1.00 0.00 C ATOM 1118 O VAL X 69 9.648 -8.468 -5.279 1.00 0.00 O ATOM 1119 CB VAL X 69 12.927 -8.804 -5.476 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.378 -10.196 -5.867 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.084 -7.817 -5.597 1.00 0.00 C ATOM 0 H VAL X 69 11.205 -6.820 -4.987 1.00 0.00 H new ATOM 0 HA VAL X 69 11.952 -8.489 -7.365 1.00 0.00 H new ATOM 0 HB VAL X 69 12.608 -8.837 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.236 -10.485 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.564 -10.902 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.660 -10.205 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL X 69 14.926 -8.169 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.386 -7.737 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL X 69 13.767 -6.839 -5.235 1.00 0.00 H new ATOM 1131 N VAL X 70 10.223 -10.270 -6.209 1.00 0.00 N ATOM 1132 CA VAL X 70 8.951 -10.820 -5.791 1.00 0.00 C ATOM 1133 C VAL X 70 9.014 -11.630 -4.483 1.00 0.00 C ATOM 1134 O VAL X 70 9.652 -12.671 -4.405 1.00 0.00 O ATOM 1135 CB VAL X 70 8.320 -11.670 -6.897 1.00 0.00 C ATOM 1136 CG1 VAL X 70 6.976 -12.249 -6.470 1.00 0.00 C ATOM 1137 CG2 VAL X 70 8.191 -10.900 -8.204 1.00 0.00 C ATOM 0 H VAL X 70 10.836 -10.884 -6.745 1.00 0.00 H new ATOM 0 HA VAL X 70 8.323 -9.952 -5.591 1.00 0.00 H new ATOM 0 HB VAL X 70 8.999 -12.504 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL X 70 6.562 -12.845 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL X 70 7.114 -12.879 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL X 70 6.290 -11.437 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL X 70 7.739 -11.541 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL X 70 7.563 -10.023 -8.049 1.00 0.00 H new ATOM 0 HG23 VAL X 70 9.179 -10.584 -8.539 1.00 0.00 H new ATOM 1147 N ASP X 71 8.331 -11.113 -3.470 1.00 0.00 N ATOM 1148 CA ASP X 71 8.028 -11.821 -2.245 1.00 0.00 C ATOM 1149 C ASP X 71 6.513 -11.800 -2.242 1.00 0.00 C ATOM 1150 O ASP X 71 5.876 -10.825 -1.798 1.00 0.00 O ATOM 1151 CB ASP X 71 8.623 -11.076 -1.043 1.00 0.00 C ATOM 1152 CG ASP X 71 8.562 -11.807 0.279 1.00 0.00 C ATOM 1153 OD1 ASP X 71 9.296 -12.778 0.467 1.00 0.00 O ATOM 1154 OD2 ASP X 71 7.821 -11.369 1.165 1.00 0.00 O ATOM 0 H ASP X 71 7.964 -10.161 -3.484 1.00 0.00 H new ATOM 0 HA ASP X 71 8.438 -12.829 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP X 71 9.666 -10.846 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP X 71 8.102 -10.124 -0.935 1.00 0.00 H new ATOM 1159 N GLU X 72 5.974 -12.833 -2.855 1.00 0.00 N ATOM 1160 CA GLU X 72 4.575 -12.939 -3.329 1.00 0.00 C ATOM 1161 C GLU X 72 3.504 -13.116 -2.248 1.00 0.00 C ATOM 1162 O GLU X 72 2.335 -13.328 -2.563 1.00 0.00 O ATOM 1163 CB GLU X 72 4.505 -14.063 -4.366 1.00 0.00 C ATOM 1164 CG GLU X 72 4.990 -15.403 -3.837 1.00 0.00 C ATOM 1165 CD GLU X 72 5.191 -16.425 -4.917 1.00 0.00 C ATOM 1166 OE1 GLU X 72 4.215 -17.039 -5.379 1.00 0.00 O ATOM 1167 OE2 GLU X 72 6.345 -16.649 -5.318 1.00 0.00 O ATOM 0 H GLU X 72 6.513 -13.675 -3.055 1.00 0.00 H new ATOM 0 HA GLU X 72 4.326 -11.970 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU X 72 3.476 -14.167 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU X 72 5.104 -13.785 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU X 72 5.929 -15.258 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU X 72 4.269 -15.784 -3.114 1.00 0.00 H new ATOM 1174 N ASN X 73 3.885 -13.039 -1.014 1.00 0.00 N ATOM 1175 CA ASN X 73 2.911 -13.104 0.089 1.00 0.00 C ATOM 1176 C ASN X 73 2.139 -11.777 0.229 1.00 0.00 C ATOM 1177 O ASN X 73 1.000 -11.740 0.727 1.00 0.00 O ATOM 1178 CB ASN X 73 3.596 -13.497 1.420 1.00 0.00 C ATOM 1179 CG ASN X 73 4.841 -12.677 1.722 1.00 0.00 C ATOM 1180 OD1 ASN X 73 4.966 -11.527 1.310 1.00 0.00 O ATOM 1181 ND2 ASN X 73 5.771 -13.257 2.424 1.00 0.00 N ATOM 0 H ASN X 73 4.855 -12.931 -0.719 1.00 0.00 H new ATOM 0 HA ASN X 73 2.189 -13.884 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.884 -13.377 2.236 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.865 -14.553 1.384 1.00 0.00 H new ATOM 0 HD21 ASN X 73 6.631 -12.755 2.645 1.00 0.00 H new ATOM 0 HD22 ASN X 73 5.640 -14.213 2.753 1.00 0.00 H new ATOM 1188 N PHE X 74 2.741 -10.716 -0.271 1.00 0.00 N ATOM 1189 CA PHE X 74 2.182 -9.387 -0.184 1.00 0.00 C ATOM 1190 C PHE X 74 1.781 -8.824 -1.525 1.00 0.00 C ATOM 1191 O PHE X 74 2.178 -9.298 -2.570 1.00 0.00 O ATOM 1192 CB PHE X 74 3.129 -8.381 0.492 1.00 0.00 C ATOM 1193 CG PHE X 74 3.103 -8.336 1.999 1.00 0.00 C ATOM 1194 CD1 PHE X 74 2.217 -7.504 2.634 1.00 0.00 C ATOM 1195 CD2 PHE X 74 3.976 -9.084 2.775 1.00 0.00 C ATOM 1196 CE1 PHE X 74 2.186 -7.416 3.998 1.00 0.00 C ATOM 1197 CE2 PHE X 74 3.952 -8.996 4.145 1.00 0.00 C ATOM 1198 CZ PHE X 74 3.055 -8.163 4.757 1.00 0.00 C ATOM 0 H PHE X 74 3.639 -10.755 -0.753 1.00 0.00 H new ATOM 0 HA PHE X 74 1.292 -9.516 0.432 1.00 0.00 H new ATOM 0 HB2 PHE X 74 4.147 -8.606 0.176 1.00 0.00 H new ATOM 0 HB3 PHE X 74 2.892 -7.385 0.117 1.00 0.00 H new ATOM 0 HD1 PHE X 74 1.533 -6.909 2.047 1.00 0.00 H new ATOM 0 HD2 PHE X 74 4.684 -9.744 2.296 1.00 0.00 H new ATOM 0 HE1 PHE X 74 1.478 -6.758 4.480 1.00 0.00 H new ATOM 0 HE2 PHE X 74 4.639 -9.582 4.738 1.00 0.00 H new ATOM 0 HZ PHE X 74 3.030 -8.093 5.834 1.00 0.00 H new ATOM 1208 N THR X 75 1.121 -7.728 -1.409 1.00 0.00 N ATOM 1209 CA THR X 75 0.571 -6.902 -2.429 1.00 0.00 C ATOM 1210 C THR X 75 1.276 -5.567 -2.299 1.00 0.00 C ATOM 1211 O THR X 75 1.394 -5.066 -1.160 1.00 0.00 O ATOM 1212 CB THR X 75 -0.884 -6.733 -1.962 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.641 -7.932 -2.168 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.581 -5.536 -2.504 1.00 0.00 C ATOM 0 H THR X 75 0.930 -7.341 -0.485 1.00 0.00 H new ATOM 0 HA THR X 75 0.658 -7.280 -3.448 1.00 0.00 H new ATOM 0 HB THR X 75 -0.817 -6.546 -0.890 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.627 -8.472 -1.351 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.600 -5.503 -2.119 1.00 0.00 H new ATOM 0 HG22 THR X 75 -1.048 -4.635 -2.199 1.00 0.00 H new ATOM 0 HG23 THR X 75 -1.606 -5.591 -3.592 1.00 0.00 H new ATOM 1222 N GLU X 76 1.768 -4.982 -3.410 1.00 0.00 N ATOM 1223 CA GLU X 76 2.430 -3.712 -3.292 1.00 0.00 C ATOM 1224 C GLU X 76 1.747 -2.661 -4.077 1.00 0.00 C ATOM 1225 O GLU X 76 1.489 -2.809 -5.245 1.00 0.00 O ATOM 1226 CB GLU X 76 3.951 -3.781 -3.532 1.00 0.00 C ATOM 1227 CG GLU X 76 4.423 -4.459 -4.825 1.00 0.00 C ATOM 1228 CD GLU X 76 4.297 -3.639 -6.126 1.00 0.00 C ATOM 1229 OE1 GLU X 76 5.196 -2.823 -6.392 1.00 0.00 O ATOM 1230 OE2 GLU X 76 3.354 -3.889 -6.932 1.00 0.00 O ATOM 0 H GLU X 76 1.713 -5.367 -4.353 1.00 0.00 H new ATOM 0 HA GLU X 76 2.343 -3.416 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.342 -2.764 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU X 76 4.403 -4.305 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU X 76 5.469 -4.739 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU X 76 3.859 -5.383 -4.950 1.00 0.00 H new ATOM 1237 N ASN X 77 1.376 -1.637 -3.428 1.00 0.00 N ATOM 1238 CA ASN X 77 0.669 -0.611 -4.123 1.00 0.00 C ATOM 1239 C ASN X 77 1.194 0.761 -3.717 1.00 0.00 C ATOM 1240 O ASN X 77 1.606 0.972 -2.553 1.00 0.00 O ATOM 1241 CB ASN X 77 -0.816 -0.770 -3.836 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.099 -0.676 -2.368 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -1.156 0.393 -1.803 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.293 -1.806 -1.747 1.00 0.00 N ATOM 0 H ASN X 77 1.538 -1.473 -2.434 1.00 0.00 H new ATOM 0 HA ASN X 77 0.825 -0.698 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -1.376 0.000 -4.367 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.161 -1.732 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -1.502 -1.810 -0.749 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -1.236 -2.686 -2.260 1.00 0.00 H new ATOM 1251 N TYR X 78 1.174 1.682 -4.655 1.00 0.00 N ATOM 1252 CA TYR X 78 1.729 3.003 -4.470 1.00 0.00 C ATOM 1253 C TYR X 78 0.692 4.022 -4.896 1.00 0.00 C ATOM 1254 O TYR X 78 0.004 3.848 -5.897 1.00 0.00 O ATOM 1255 CB TYR X 78 3.082 3.076 -5.266 1.00 0.00 C ATOM 1256 CG TYR X 78 3.844 4.390 -5.455 1.00 0.00 C ATOM 1257 CD1 TYR X 78 3.249 5.547 -5.927 1.00 0.00 C ATOM 1258 CD2 TYR X 78 5.209 4.430 -5.194 1.00 0.00 C ATOM 1259 CE1 TYR X 78 3.986 6.694 -6.121 1.00 0.00 C ATOM 1260 CE2 TYR X 78 5.946 5.569 -5.395 1.00 0.00 C ATOM 1261 CZ TYR X 78 5.331 6.698 -5.857 1.00 0.00 C ATOM 1262 OH TYR X 78 6.072 7.852 -6.060 1.00 0.00 O ATOM 0 H TYR X 78 0.767 1.532 -5.578 1.00 0.00 H new ATOM 0 HA TYR X 78 1.965 3.225 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR X 78 3.769 2.382 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR X 78 2.881 2.683 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR X 78 2.192 5.550 -6.146 1.00 0.00 H new ATOM 0 HD2 TYR X 78 5.701 3.543 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR X 78 3.504 7.591 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR X 78 7.006 5.573 -5.189 1.00 0.00 H new ATOM 0 HH TYR X 78 5.661 8.595 -5.571 1.00 0.00 H new ATOM 1272 N LEU X 79 0.555 5.042 -4.123 1.00 0.00 N ATOM 1273 CA LEU X 79 -0.440 6.071 -4.374 1.00 0.00 C ATOM 1274 C LEU X 79 0.171 7.436 -4.570 1.00 0.00 C ATOM 1275 O LEU X 79 0.800 7.988 -3.669 1.00 0.00 O ATOM 1276 CB LEU X 79 -1.493 6.135 -3.249 1.00 0.00 C ATOM 1277 CG LEU X 79 -2.427 7.378 -3.258 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -3.252 7.472 -4.527 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -3.322 7.418 -2.031 1.00 0.00 C ATOM 0 H LEU X 79 1.123 5.203 -3.291 1.00 0.00 H new ATOM 0 HA LEU X 79 -0.930 5.784 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -2.112 5.240 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -0.974 6.102 -2.291 1.00 0.00 H new ATOM 0 HG LEU X 79 -1.774 8.250 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -3.887 8.357 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -2.588 7.544 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -3.875 6.583 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -3.960 8.301 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -3.943 6.523 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -2.706 7.459 -1.133 1.00 0.00 H new