USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=25 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 75 THR OG1 : rot 100:sc= 0.704 USER MOD Set 1.2: X 77 ASN : amide:sc= -1.85! C(o=-1.1!,f=-3.9!) USER MOD Set 2.1: X 24 LYS NZ :NH3+ -157:sc= -0.332! (180deg=-2.94!) USER MOD Set 2.2: X 54 TYR OH : rot 165:sc= 0.666 USER MOD Single : X 6 CYS SG : rot 180:sc= 0.1 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 : amide:sc= -1.8! C(o=-1.8!,f=-3.6!) USER MOD Single : X 14 LYS NZ :NH3+ 149:sc= -0.243 (180deg=-1.85) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : X 20 LYS NZ :NH3+ -169:sc= 0.995 (180deg=0.827) 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 -129:sc= 1.21 USER MOD Single : X 26 SER OG : rot 169:sc= -1.16 USER MOD Single : X 32 LYS NZ :NH3+ -165:sc= -0.0498 (180deg=-0.278) USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 34 THR OG1 : rot 67:sc= 1.24 USER MOD Single : X 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 38 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot -166:sc= 0.437 USER MOD Single : X 48 THR OG1 : rot -27:sc= 0.0112 USER MOD Single : X 50 ASN :FLIP amide:sc= 0 F(o=-0.72!,f=0) USER MOD Single : X 51 LYS NZ :NH3+ -153:sc= -1.85! (180deg=-3.05!) USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 56 ASN :FLIP amide:sc= -4.37! C(o=-4.9!,f=-4.4!) USER MOD Single : X 65 GLN : amide:sc= 1.32 K(o=1.3,f=-0.89) USER MOD Single : X 67 LYS NZ :NH3+ -158:sc= 0.42 (180deg=0.166) USER MOD Single : X 73 ASN : amide:sc= -0.858 K(o=-0.86,f=-1.6!) USER MOD Single : X 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -8.225 6.262 -0.640 1.00 0.00 N ATOM 73 CA ASP X 5 -7.243 6.749 -1.585 1.00 0.00 C ATOM 74 C ASP X 5 -7.051 5.630 -2.598 1.00 0.00 C ATOM 75 O ASP X 5 -7.185 4.450 -2.236 1.00 0.00 O ATOM 76 CB ASP X 5 -5.889 7.167 -0.922 1.00 0.00 C ATOM 77 CG ASP X 5 -5.831 8.646 -0.471 1.00 0.00 C ATOM 78 OD1 ASP X 5 -6.589 9.048 0.426 1.00 0.00 O ATOM 79 OD2 ASP X 5 -5.028 9.437 -1.039 1.00 0.00 O ATOM 0 HA ASP X 5 -7.600 7.666 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -5.709 6.528 -0.057 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -5.080 6.983 -1.629 1.00 0.00 H new ATOM 84 N CYS X 6 -6.836 5.947 -3.838 1.00 0.00 N ATOM 85 CA CYS X 6 -6.661 4.910 -4.834 1.00 0.00 C ATOM 86 C CYS X 6 -5.254 4.409 -4.900 1.00 0.00 C ATOM 87 O CYS X 6 -4.319 5.168 -5.048 1.00 0.00 O ATOM 88 CB CYS X 6 -7.099 5.354 -6.195 1.00 0.00 C ATOM 89 SG CYS X 6 -6.579 7.041 -6.663 1.00 0.00 S ATOM 0 H CYS X 6 -6.776 6.902 -4.192 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.301 4.089 -4.512 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -6.709 4.652 -6.932 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -8.186 5.298 -6.246 1.00 0.00 H new ATOM 0 HG CYS X 6 -7.012 7.313 -7.858 1.00 0.00 H new ATOM 94 N TRP X 7 -5.093 3.131 -4.759 1.00 0.00 N ATOM 95 CA TRP X 7 -3.795 2.551 -4.831 1.00 0.00 C ATOM 96 C TRP X 7 -3.697 1.879 -6.175 1.00 0.00 C ATOM 97 O TRP X 7 -4.687 1.347 -6.680 1.00 0.00 O ATOM 98 CB TRP X 7 -3.552 1.549 -3.661 1.00 0.00 C ATOM 99 CG TRP X 7 -4.118 2.018 -2.349 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.378 3.298 -1.988 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.495 1.214 -1.238 1.00 0.00 C ATOM 102 NE1 TRP X 7 -4.944 3.342 -0.754 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.012 2.083 -0.261 1.00 0.00 C ATOM 104 CE3 TRP X 7 -4.455 -0.152 -0.974 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.495 1.638 0.942 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -4.927 -0.601 0.240 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.444 0.292 1.185 1.00 0.00 C ATOM 0 H TRP X 7 -5.851 2.469 -4.593 1.00 0.00 H new ATOM 0 HA TRP X 7 -3.022 3.313 -4.728 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -3.996 0.587 -3.917 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.480 1.385 -3.549 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.165 4.164 -2.597 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.265 4.185 -0.277 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -4.063 -0.844 -1.704 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -5.901 2.324 1.671 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -4.898 -1.657 0.465 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.811 -0.089 2.127 1.00 0.00 H new ATOM 118 N THR X 8 -2.566 1.941 -6.756 1.00 0.00 N ATOM 119 CA THR X 8 -2.332 1.387 -8.043 1.00 0.00 C ATOM 120 C THR X 8 -1.569 0.097 -7.876 1.00 0.00 C ATOM 121 O THR X 8 -0.522 0.062 -7.211 1.00 0.00 O ATOM 122 CB THR X 8 -1.494 2.371 -8.861 1.00 0.00 C ATOM 123 OG1 THR X 8 -2.145 3.655 -8.860 1.00 0.00 O ATOM 124 CG2 THR X 8 -1.298 1.881 -10.292 1.00 0.00 C ATOM 0 H THR X 8 -1.748 2.390 -6.345 1.00 0.00 H new ATOM 0 HA THR X 8 -3.276 1.198 -8.555 1.00 0.00 H new ATOM 0 HB THR X 8 -0.507 2.453 -8.405 1.00 0.00 H new ATOM 0 HG1 THR X 8 -1.613 4.292 -9.381 1.00 0.00 H new ATOM 0 HG21 THR X 8 -0.698 2.604 -10.845 1.00 0.00 H new ATOM 0 HG22 THR X 8 -0.787 0.919 -10.280 1.00 0.00 H new ATOM 0 HG23 THR X 8 -2.269 1.770 -10.775 1.00 0.00 H new ATOM 132 N PHE X 9 -2.110 -0.963 -8.404 1.00 0.00 N ATOM 133 CA PHE X 9 -1.470 -2.214 -8.292 1.00 0.00 C ATOM 134 C PHE X 9 -0.508 -2.440 -9.435 1.00 0.00 C ATOM 135 O PHE X 9 -0.873 -2.294 -10.607 1.00 0.00 O ATOM 136 CB PHE X 9 -2.467 -3.363 -8.221 1.00 0.00 C ATOM 137 CG PHE X 9 -1.861 -4.442 -7.444 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.850 -4.319 -6.108 1.00 0.00 C ATOM 139 CD2 PHE X 9 -1.228 -5.509 -8.031 1.00 0.00 C ATOM 140 CE1 PHE X 9 -1.211 -5.216 -5.314 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.596 -6.441 -7.249 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.580 -6.286 -5.876 1.00 0.00 C ATOM 0 H PHE X 9 -2.993 -0.972 -8.914 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.911 -2.194 -7.357 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -3.395 -3.033 -7.755 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.719 -3.711 -9.223 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -2.363 -3.485 -5.652 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.228 -5.614 -9.106 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -1.203 -5.083 -4.242 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.113 -7.293 -7.704 1.00 0.00 H new ATOM 0 HZ PHE X 9 -0.072 -7.007 -5.253 1.00 0.00 H new ATOM 152 N TYR X 10 0.720 -2.763 -9.100 1.00 0.00 N ATOM 153 CA TYR X 10 1.699 -3.095 -10.111 1.00 0.00 C ATOM 154 C TYR X 10 1.793 -4.609 -10.224 1.00 0.00 C ATOM 155 O TYR X 10 1.535 -5.177 -11.288 1.00 0.00 O ATOM 156 CB TYR X 10 3.076 -2.481 -9.775 1.00 0.00 C ATOM 157 CG TYR X 10 4.155 -2.622 -10.867 1.00 0.00 C ATOM 158 CD1 TYR X 10 4.249 -1.696 -11.900 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.095 -3.660 -10.846 1.00 0.00 C ATOM 160 CE1 TYR X 10 5.222 -1.797 -12.870 1.00 0.00 C ATOM 161 CE2 TYR X 10 6.075 -3.760 -11.815 1.00 0.00 C ATOM 162 CZ TYR X 10 6.132 -2.825 -12.825 1.00 0.00 C ATOM 163 OH TYR X 10 7.114 -2.920 -13.803 1.00 0.00 O ATOM 0 H TYR X 10 1.064 -2.803 -8.141 1.00 0.00 H new ATOM 0 HA TYR X 10 1.385 -2.677 -11.068 1.00 0.00 H new ATOM 0 HB2 TYR X 10 2.938 -1.421 -9.561 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.447 -2.945 -8.861 1.00 0.00 H new ATOM 0 HD1 TYR X 10 3.544 -0.879 -11.943 1.00 0.00 H new ATOM 0 HD2 TYR X 10 5.053 -4.397 -10.057 1.00 0.00 H new ATOM 0 HE1 TYR X 10 5.269 -1.068 -13.666 1.00 0.00 H new ATOM 0 HE2 TYR X 10 6.792 -4.567 -11.781 1.00 0.00 H new ATOM 0 HH TYR X 10 7.678 -3.702 -13.626 1.00 0.00 H new ATOM 173 N ALA X 11 2.099 -5.270 -9.104 1.00 0.00 N ATOM 174 CA ALA X 11 2.315 -6.699 -9.072 1.00 0.00 C ATOM 175 C ALA X 11 2.589 -7.064 -7.657 1.00 0.00 C ATOM 176 O ALA X 11 2.842 -6.155 -6.833 1.00 0.00 O ATOM 177 CB ALA X 11 3.513 -7.085 -9.925 1.00 0.00 C ATOM 0 H ALA X 11 2.202 -4.817 -8.196 1.00 0.00 H new ATOM 0 HA ALA X 11 1.441 -7.219 -9.464 1.00 0.00 H new ATOM 0 HB1 ALA X 11 3.655 -8.165 -9.885 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.338 -6.780 -10.957 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.405 -6.587 -9.546 1.00 0.00 H new ATOM 183 N ASN X 12 2.498 -8.323 -7.308 1.00 0.00 N ATOM 184 CA ASN X 12 2.911 -8.651 -5.998 1.00 0.00 C ATOM 185 C ASN X 12 4.384 -8.766 -6.118 1.00 0.00 C ATOM 186 O ASN X 12 4.898 -9.589 -6.878 1.00 0.00 O ATOM 187 CB ASN X 12 2.340 -10.010 -5.575 1.00 0.00 C ATOM 188 CG ASN X 12 0.838 -9.996 -5.428 1.00 0.00 C ATOM 189 OD1 ASN X 12 0.127 -9.302 -6.137 1.00 0.00 O ATOM 190 ND2 ASN X 12 0.343 -10.724 -4.502 1.00 0.00 N ATOM 0 H ASN X 12 2.159 -9.090 -7.888 1.00 0.00 H new ATOM 0 HA ASN X 12 2.581 -7.917 -5.263 1.00 0.00 H new ATOM 0 HB2 ASN X 12 2.621 -10.762 -6.313 1.00 0.00 H new ATOM 0 HB3 ASN X 12 2.790 -10.309 -4.628 1.00 0.00 H new ATOM 0 HD21 ASN X 12 -0.665 -10.733 -4.344 1.00 0.00 H new ATOM 0 HD22 ASN X 12 0.955 -11.296 -3.921 1.00 0.00 H new ATOM 197 N ARG X 13 5.056 -7.910 -5.425 1.00 0.00 N ATOM 198 CA ARG X 13 6.467 -7.812 -5.486 1.00 0.00 C ATOM 199 C ARG X 13 6.902 -7.197 -4.179 1.00 0.00 C ATOM 200 O ARG X 13 6.062 -6.577 -3.534 1.00 0.00 O ATOM 201 CB ARG X 13 6.828 -6.939 -6.691 1.00 0.00 C ATOM 202 CG ARG X 13 8.275 -6.947 -7.061 1.00 0.00 C ATOM 203 CD ARG X 13 8.520 -6.172 -8.334 1.00 0.00 C ATOM 204 NE ARG X 13 7.914 -6.847 -9.480 1.00 0.00 N ATOM 205 CZ ARG X 13 8.481 -6.985 -10.673 1.00 0.00 C ATOM 206 NH1 ARG X 13 9.695 -6.483 -10.902 1.00 0.00 N ATOM 207 NH2 ARG X 13 7.844 -7.646 -11.629 1.00 0.00 N ATOM 0 H ARG X 13 4.624 -7.244 -4.785 1.00 0.00 H new ATOM 0 HA ARG X 13 6.966 -8.772 -5.615 1.00 0.00 H new ATOM 0 HB2 ARG X 13 6.246 -7.272 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG X 13 6.527 -5.913 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG X 13 8.862 -6.515 -6.251 1.00 0.00 H new ATOM 0 HG3 ARG X 13 8.615 -7.975 -7.187 1.00 0.00 H new ATOM 0 HD2 ARG X 13 8.107 -5.168 -8.238 1.00 0.00 H new ATOM 0 HD3 ARG X 13 9.592 -6.062 -8.497 1.00 0.00 H new ATOM 0 HE ARG X 13 6.983 -7.243 -9.354 1.00 0.00 H new ATOM 0 HH11 ARG X 13 10.192 -5.991 -10.159 1.00 0.00 H new ATOM 0 HH12 ARG X 13 10.127 -6.591 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG X 13 6.923 -8.045 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG X 13 8.274 -7.755 -12.547 1.00 0.00 H new ATOM 221 N LYS X 14 8.160 -7.341 -3.767 1.00 0.00 N ATOM 222 CA LYS X 14 8.612 -6.726 -2.525 1.00 0.00 C ATOM 223 C LYS X 14 10.123 -6.611 -2.436 1.00 0.00 C ATOM 224 O LYS X 14 10.851 -7.525 -2.745 1.00 0.00 O ATOM 225 CB LYS X 14 8.212 -7.582 -1.353 1.00 0.00 C ATOM 226 CG LYS X 14 7.729 -6.847 -0.120 1.00 0.00 C ATOM 227 CD LYS X 14 6.249 -6.588 -0.239 1.00 0.00 C ATOM 228 CE LYS X 14 5.936 -5.298 -0.958 1.00 0.00 C ATOM 229 NZ LYS X 14 4.491 -5.082 -1.097 1.00 0.00 N ATOM 0 H LYS X 14 8.874 -7.870 -4.268 1.00 0.00 H new ATOM 0 HA LYS X 14 8.158 -5.735 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS X 14 7.423 -8.260 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS X 14 9.066 -8.198 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS X 14 7.935 -7.437 0.773 1.00 0.00 H new ATOM 0 HG3 LYS X 14 8.267 -5.905 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS X 14 5.781 -7.417 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS X 14 5.809 -6.559 0.758 1.00 0.00 H new ATOM 0 HE2 LYS X 14 6.376 -4.463 -0.413 1.00 0.00 H new ATOM 0 HE3 LYS X 14 6.397 -5.312 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 4.290 -4.062 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 4.164 -5.491 -1.995 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 3.994 -5.540 -0.306 1.00 0.00 H new ATOM 243 N TYR X 15 10.581 -5.512 -1.986 1.00 0.00 N ATOM 244 CA TYR X 15 11.924 -5.445 -1.538 1.00 0.00 C ATOM 245 C TYR X 15 11.793 -5.842 -0.100 1.00 0.00 C ATOM 246 O TYR X 15 11.195 -5.102 0.671 1.00 0.00 O ATOM 247 CB TYR X 15 12.489 -4.029 -1.698 1.00 0.00 C ATOM 248 CG TYR X 15 13.886 -3.810 -1.145 1.00 0.00 C ATOM 249 CD1 TYR X 15 15.011 -4.258 -1.828 1.00 0.00 C ATOM 250 CD2 TYR X 15 14.075 -3.127 0.051 1.00 0.00 C ATOM 251 CE1 TYR X 15 16.283 -4.033 -1.329 1.00 0.00 C ATOM 252 CE2 TYR X 15 15.339 -2.903 0.555 1.00 0.00 C ATOM 253 CZ TYR X 15 16.439 -3.356 -0.135 1.00 0.00 C ATOM 254 OH TYR X 15 17.704 -3.117 0.366 1.00 0.00 O ATOM 0 H TYR X 15 10.052 -4.643 -1.915 1.00 0.00 H new ATOM 0 HA TYR X 15 12.614 -6.078 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR X 15 12.495 -3.778 -2.759 1.00 0.00 H new ATOM 0 HB3 TYR X 15 11.811 -3.330 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.891 -4.789 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR X 15 13.216 -2.765 0.596 1.00 0.00 H new ATOM 0 HE1 TYR X 15 17.149 -4.385 -1.871 1.00 0.00 H new ATOM 0 HE2 TYR X 15 15.465 -2.374 1.488 1.00 0.00 H new ATOM 0 HH TYR X 15 17.634 -2.629 1.213 1.00 0.00 H new ATOM 264 N THR X 16 12.156 -7.083 0.175 1.00 0.00 N ATOM 265 CA THR X 16 12.059 -7.745 1.462 1.00 0.00 C ATOM 266 C THR X 16 12.734 -6.993 2.622 1.00 0.00 C ATOM 267 O THR X 16 13.805 -7.356 3.112 1.00 0.00 O ATOM 268 CB THR X 16 12.593 -9.172 1.316 1.00 0.00 C ATOM 269 OG1 THR X 16 13.822 -9.107 0.559 1.00 0.00 O ATOM 270 CG2 THR X 16 11.591 -10.033 0.555 1.00 0.00 C ATOM 0 H THR X 16 12.551 -7.693 -0.541 1.00 0.00 H new ATOM 0 HA THR X 16 11.006 -7.761 1.744 1.00 0.00 H new ATOM 0 HB THR X 16 12.758 -9.610 2.300 1.00 0.00 H new ATOM 0 HG1 THR X 16 14.188 -10.010 0.451 1.00 0.00 H new ATOM 0 HG21 THR X 16 11.982 -11.046 0.457 1.00 0.00 H new ATOM 0 HG22 THR X 16 10.647 -10.059 1.099 1.00 0.00 H new ATOM 0 HG23 THR X 16 11.427 -9.610 -0.436 1.00 0.00 H new ATOM 278 N ASP X 17 12.123 -5.913 2.961 1.00 0.00 N ATOM 279 CA ASP X 17 12.497 -5.047 4.045 1.00 0.00 C ATOM 280 C ASP X 17 11.245 -4.396 4.575 1.00 0.00 C ATOM 281 O ASP X 17 10.445 -3.857 3.807 1.00 0.00 O ATOM 282 CB ASP X 17 13.463 -3.964 3.563 1.00 0.00 C ATOM 283 CG ASP X 17 13.796 -2.950 4.633 1.00 0.00 C ATOM 284 OD1 ASP X 17 13.023 -1.984 4.820 1.00 0.00 O ATOM 285 OD2 ASP X 17 14.848 -3.069 5.266 1.00 0.00 O ATOM 0 H ASP X 17 11.296 -5.582 2.464 1.00 0.00 H new ATOM 0 HA ASP X 17 12.994 -5.628 4.822 1.00 0.00 H new ATOM 0 HB2 ASP X 17 14.383 -4.434 3.217 1.00 0.00 H new ATOM 0 HB3 ASP X 17 13.026 -3.450 2.707 1.00 0.00 H new ATOM 290 N PHE X 18 11.052 -4.469 5.860 1.00 0.00 N ATOM 291 CA PHE X 18 9.891 -3.872 6.484 1.00 0.00 C ATOM 292 C PHE X 18 10.332 -2.837 7.518 1.00 0.00 C ATOM 293 O PHE X 18 9.559 -2.408 8.376 1.00 0.00 O ATOM 294 CB PHE X 18 8.977 -4.964 7.088 1.00 0.00 C ATOM 295 CG PHE X 18 8.357 -5.875 6.038 1.00 0.00 C ATOM 296 CD1 PHE X 18 9.042 -6.977 5.546 1.00 0.00 C ATOM 297 CD2 PHE X 18 7.095 -5.610 5.535 1.00 0.00 C ATOM 298 CE1 PHE X 18 8.478 -7.789 4.577 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.526 -6.422 4.568 1.00 0.00 C ATOM 300 CZ PHE X 18 7.221 -7.508 4.089 1.00 0.00 C ATOM 0 H PHE X 18 11.685 -4.939 6.507 1.00 0.00 H new ATOM 0 HA PHE X 18 9.299 -3.350 5.732 1.00 0.00 H new ATOM 0 HB2 PHE X 18 9.556 -5.567 7.787 1.00 0.00 H new ATOM 0 HB3 PHE X 18 8.182 -4.487 7.661 1.00 0.00 H new ATOM 0 HD1 PHE X 18 10.028 -7.204 5.924 1.00 0.00 H new ATOM 0 HD2 PHE X 18 6.545 -4.756 5.903 1.00 0.00 H new ATOM 0 HE1 PHE X 18 9.024 -8.643 4.204 1.00 0.00 H new ATOM 0 HE2 PHE X 18 5.538 -6.203 4.191 1.00 0.00 H new ATOM 0 HZ PHE X 18 6.782 -8.140 3.331 1.00 0.00 H new ATOM 310 N ASP X 19 11.567 -2.377 7.350 1.00 0.00 N ATOM 311 CA ASP X 19 12.211 -1.373 8.227 1.00 0.00 C ATOM 312 C ASP X 19 11.631 -0.005 7.956 1.00 0.00 C ATOM 313 O ASP X 19 11.637 0.883 8.815 1.00 0.00 O ATOM 314 CB ASP X 19 13.721 -1.359 7.944 1.00 0.00 C ATOM 315 CG ASP X 19 14.494 -0.222 8.595 1.00 0.00 C ATOM 316 OD1 ASP X 19 15.007 -0.395 9.708 1.00 0.00 O ATOM 317 OD2 ASP X 19 14.682 0.838 7.953 1.00 0.00 O ATOM 0 H ASP X 19 12.170 -2.690 6.589 1.00 0.00 H new ATOM 0 HA ASP X 19 12.032 -1.631 9.271 1.00 0.00 H new ATOM 0 HB2 ASP X 19 14.146 -2.305 8.281 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.871 -1.308 6.866 1.00 0.00 H new ATOM 322 N LYS X 20 11.048 0.118 6.775 1.00 0.00 N ATOM 323 CA LYS X 20 10.480 1.364 6.247 1.00 0.00 C ATOM 324 C LYS X 20 9.363 1.936 7.136 1.00 0.00 C ATOM 325 O LYS X 20 8.988 3.081 6.969 1.00 0.00 O ATOM 326 CB LYS X 20 9.972 1.123 4.823 1.00 0.00 C ATOM 327 CG LYS X 20 11.050 0.611 3.876 1.00 0.00 C ATOM 328 CD LYS X 20 12.107 1.673 3.594 1.00 0.00 C ATOM 329 CE LYS X 20 13.314 1.089 2.869 1.00 0.00 C ATOM 330 NZ LYS X 20 14.070 0.151 3.723 1.00 0.00 N ATOM 0 H LYS X 20 10.950 -0.667 6.131 1.00 0.00 H new ATOM 0 HA LYS X 20 11.272 2.113 6.238 1.00 0.00 H new ATOM 0 HB2 LYS X 20 9.154 0.403 4.854 1.00 0.00 H new ATOM 0 HB3 LYS X 20 9.564 2.053 4.428 1.00 0.00 H new ATOM 0 HG2 LYS X 20 11.526 -0.269 4.309 1.00 0.00 H new ATOM 0 HG3 LYS X 20 10.591 0.297 2.939 1.00 0.00 H new ATOM 0 HD2 LYS X 20 11.671 2.469 2.991 1.00 0.00 H new ATOM 0 HD3 LYS X 20 12.429 2.124 4.533 1.00 0.00 H new ATOM 0 HE2 LYS X 20 12.981 0.572 1.969 1.00 0.00 H new ATOM 0 HE3 LYS X 20 13.971 1.898 2.548 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 14.976 -0.079 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 14.249 0.591 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 13.518 -0.720 3.855 1.00 0.00 H new ATOM 344 N SER X 21 8.888 1.120 8.086 1.00 0.00 N ATOM 345 CA SER X 21 7.885 1.484 9.090 1.00 0.00 C ATOM 346 C SER X 21 6.449 1.378 8.603 1.00 0.00 C ATOM 347 O SER X 21 5.848 2.319 8.012 1.00 0.00 O ATOM 348 CB SER X 21 8.193 2.798 9.796 1.00 0.00 C ATOM 349 OG SER X 21 9.485 2.735 10.412 1.00 0.00 O ATOM 0 H SER X 21 9.204 0.155 8.178 1.00 0.00 H new ATOM 0 HA SER X 21 7.967 0.714 9.857 1.00 0.00 H new ATOM 0 HB2 SER X 21 8.162 3.620 9.081 1.00 0.00 H new ATOM 0 HB3 SER X 21 7.432 3.002 10.549 1.00 0.00 H new ATOM 0 HG SER X 21 9.675 3.585 10.862 1.00 0.00 H new ATOM 355 N PHE X 22 5.910 0.203 8.830 1.00 0.00 N ATOM 356 CA PHE X 22 4.581 -0.143 8.431 1.00 0.00 C ATOM 357 C PHE X 22 3.904 -0.696 9.635 1.00 0.00 C ATOM 358 O PHE X 22 4.559 -1.334 10.475 1.00 0.00 O ATOM 359 CB PHE X 22 4.609 -1.259 7.397 1.00 0.00 C ATOM 360 CG PHE X 22 5.446 -0.992 6.203 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.636 0.284 5.745 1.00 0.00 C ATOM 362 CD2 PHE X 22 6.006 -2.025 5.524 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.361 0.536 4.643 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.755 -1.800 4.410 1.00 0.00 C ATOM 365 CZ PHE X 22 6.938 -0.521 3.955 1.00 0.00 C ATOM 0 H PHE X 22 6.402 -0.551 9.309 1.00 0.00 H new ATOM 0 HA PHE X 22 4.081 0.733 8.016 1.00 0.00 H new ATOM 0 HB2 PHE X 22 4.969 -2.169 7.877 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.588 -1.454 7.069 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.192 1.108 6.283 1.00 0.00 H new ATOM 0 HD2 PHE X 22 5.856 -3.037 5.871 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.493 1.550 4.296 1.00 0.00 H new ATOM 0 HE2 PHE X 22 7.205 -2.630 3.885 1.00 0.00 H new ATOM 0 HZ PHE X 22 7.526 -0.337 3.068 1.00 0.00 H new ATOM 375 N LYS X 23 2.645 -0.479 9.752 1.00 0.00 N ATOM 376 CA LYS X 23 1.919 -1.021 10.873 1.00 0.00 C ATOM 377 C LYS X 23 0.851 -1.952 10.340 1.00 0.00 C ATOM 378 O LYS X 23 0.364 -1.745 9.219 1.00 0.00 O ATOM 379 CB LYS X 23 1.324 0.106 11.723 1.00 0.00 C ATOM 380 CG LYS X 23 2.350 1.125 12.222 1.00 0.00 C ATOM 381 CD LYS X 23 3.413 0.484 13.110 1.00 0.00 C ATOM 382 CE LYS X 23 4.517 1.473 13.432 1.00 0.00 C ATOM 383 NZ LYS X 23 5.547 0.891 14.312 1.00 0.00 N ATOM 0 H LYS X 23 2.086 0.066 9.096 1.00 0.00 H new ATOM 0 HA LYS X 23 2.588 -1.584 11.524 1.00 0.00 H new ATOM 0 HB2 LYS X 23 0.567 0.627 11.137 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.816 -0.332 12.582 1.00 0.00 H new ATOM 0 HG2 LYS X 23 2.831 1.602 11.368 1.00 0.00 H new ATOM 0 HG3 LYS X 23 1.839 1.910 12.779 1.00 0.00 H new ATOM 0 HD2 LYS X 23 2.956 0.130 14.034 1.00 0.00 H new ATOM 0 HD3 LYS X 23 3.834 -0.387 12.609 1.00 0.00 H new ATOM 0 HE2 LYS X 23 4.982 1.811 12.506 1.00 0.00 H new ATOM 0 HE3 LYS X 23 4.086 2.352 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 6.281 1.602 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 5.110 0.592 15.207 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 5.978 0.068 13.845 1.00 0.00 H new ATOM 397 N LYS X 24 0.531 -2.985 11.087 1.00 0.00 N ATOM 398 CA LYS X 24 -0.438 -3.965 10.649 1.00 0.00 C ATOM 399 C LYS X 24 -1.594 -4.139 11.598 1.00 0.00 C ATOM 400 O LYS X 24 -1.418 -4.394 12.790 1.00 0.00 O ATOM 401 CB LYS X 24 0.221 -5.333 10.399 1.00 0.00 C ATOM 402 CG LYS X 24 -0.772 -6.494 10.256 1.00 0.00 C ATOM 403 CD LYS X 24 -0.118 -7.882 10.182 1.00 0.00 C ATOM 404 CE LYS X 24 0.609 -8.325 11.473 1.00 0.00 C ATOM 405 NZ LYS X 24 1.943 -7.685 11.680 1.00 0.00 N ATOM 0 H LYS X 24 0.931 -3.169 12.007 1.00 0.00 H new ATOM 0 HA LYS X 24 -0.838 -3.569 9.716 1.00 0.00 H new ATOM 0 HB2 LYS X 24 0.825 -5.273 9.493 1.00 0.00 H new ATOM 0 HB3 LYS X 24 0.902 -5.551 11.222 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -1.460 -6.474 11.101 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -1.368 -6.338 9.357 1.00 0.00 H new ATOM 0 HD2 LYS X 24 -0.886 -8.618 9.943 1.00 0.00 H new ATOM 0 HD3 LYS X 24 0.596 -7.888 9.359 1.00 0.00 H new ATOM 0 HE2 LYS X 24 -0.026 -8.098 12.329 1.00 0.00 H new ATOM 0 HE3 LYS X 24 0.738 -9.407 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 2.521 -8.281 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 2.423 -7.579 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 1.815 -6.749 12.115 1.00 0.00 H new ATOM 419 N SER X 25 -2.739 -3.968 11.057 1.00 0.00 N ATOM 420 CA SER X 25 -3.981 -4.320 11.637 1.00 0.00 C ATOM 421 C SER X 25 -4.827 -4.578 10.427 1.00 0.00 C ATOM 422 O SER X 25 -4.770 -3.780 9.485 1.00 0.00 O ATOM 423 CB SER X 25 -4.551 -3.150 12.471 1.00 0.00 C ATOM 424 OG SER X 25 -5.764 -3.515 13.130 1.00 0.00 O ATOM 0 H SER X 25 -2.843 -3.549 10.133 1.00 0.00 H new ATOM 0 HA SER X 25 -3.925 -5.165 12.324 1.00 0.00 H new ATOM 0 HB2 SER X 25 -3.814 -2.837 13.211 1.00 0.00 H new ATOM 0 HB3 SER X 25 -4.733 -2.294 11.821 1.00 0.00 H new ATOM 0 HG SER X 25 -6.451 -2.841 12.947 1.00 0.00 H new ATOM 430 N SER X 26 -5.553 -5.662 10.352 1.00 0.00 N ATOM 431 CA SER X 26 -6.305 -5.821 9.155 1.00 0.00 C ATOM 432 C SER X 26 -7.678 -5.216 9.354 1.00 0.00 C ATOM 433 O SER X 26 -8.567 -5.805 9.961 1.00 0.00 O ATOM 434 CB SER X 26 -6.384 -7.306 8.800 1.00 0.00 C ATOM 435 OG SER X 26 -5.079 -7.882 8.732 1.00 0.00 O ATOM 0 H SER X 26 -5.634 -6.396 11.055 1.00 0.00 H new ATOM 0 HA SER X 26 -5.823 -5.305 8.325 1.00 0.00 H new ATOM 0 HB2 SER X 26 -6.980 -7.832 9.546 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.891 -7.429 7.843 1.00 0.00 H new ATOM 0 HG SER X 26 -5.154 -8.858 8.680 1.00 0.00 H new ATOM 441 N ASP X 27 -7.795 -4.007 8.885 1.00 0.00 N ATOM 442 CA ASP X 27 -9.010 -3.236 8.883 1.00 0.00 C ATOM 443 C ASP X 27 -9.189 -2.646 7.558 1.00 0.00 C ATOM 444 O ASP X 27 -8.372 -1.834 7.166 1.00 0.00 O ATOM 445 CB ASP X 27 -8.938 -2.143 9.895 1.00 0.00 C ATOM 446 CG ASP X 27 -8.837 -2.619 11.331 1.00 0.00 C ATOM 447 OD1 ASP X 27 -9.775 -3.305 11.815 1.00 0.00 O ATOM 448 OD2 ASP X 27 -7.817 -2.316 12.004 1.00 0.00 O ATOM 0 H ASP X 27 -7.008 -3.506 8.473 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.847 -3.889 9.129 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -8.075 -1.516 9.672 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -9.823 -1.515 9.796 1.00 0.00 H new ATOM 453 N LEU X 28 -10.213 -2.975 6.857 1.00 0.00 N ATOM 454 CA LEU X 28 -10.358 -2.395 5.551 1.00 0.00 C ATOM 455 C LEU X 28 -10.665 -0.911 5.691 1.00 0.00 C ATOM 456 O LEU X 28 -10.031 -0.099 5.054 1.00 0.00 O ATOM 457 CB LEU X 28 -11.452 -3.100 4.751 1.00 0.00 C ATOM 458 CG LEU X 28 -11.533 -2.765 3.263 1.00 0.00 C ATOM 459 CD1 LEU X 28 -10.298 -3.267 2.538 1.00 0.00 C ATOM 460 CD2 LEU X 28 -12.787 -3.354 2.650 1.00 0.00 C ATOM 0 H LEU X 28 -10.948 -3.621 7.144 1.00 0.00 H new ATOM 0 HA LEU X 28 -9.423 -2.521 5.005 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -11.308 -4.176 4.851 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -12.414 -2.864 5.207 1.00 0.00 H new ATOM 0 HG LEU X 28 -11.578 -1.681 3.157 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -10.372 -3.020 1.479 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -9.411 -2.794 2.960 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -10.222 -4.348 2.654 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -12.826 -3.104 1.590 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -12.775 -4.438 2.767 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -13.664 -2.945 3.152 1.00 0.00 H new ATOM 472 N ASP X 29 -11.616 -0.571 6.532 1.00 0.00 N ATOM 473 CA ASP X 29 -11.944 0.838 6.782 1.00 0.00 C ATOM 474 C ASP X 29 -10.770 1.556 7.421 1.00 0.00 C ATOM 475 O ASP X 29 -10.272 2.579 6.916 1.00 0.00 O ATOM 476 CB ASP X 29 -13.118 0.957 7.746 1.00 0.00 C ATOM 477 CG ASP X 29 -14.379 0.281 7.275 1.00 0.00 C ATOM 478 OD1 ASP X 29 -15.179 0.898 6.513 1.00 0.00 O ATOM 479 OD2 ASP X 29 -14.609 -0.879 7.660 1.00 0.00 O ATOM 0 H ASP X 29 -12.180 -1.238 7.058 1.00 0.00 H new ATOM 0 HA ASP X 29 -12.191 1.283 5.818 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.829 0.531 8.707 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.328 2.013 7.916 1.00 0.00 H new ATOM 484 N GLU X 30 -10.267 0.946 8.495 1.00 0.00 N ATOM 485 CA GLU X 30 -9.227 1.530 9.314 1.00 0.00 C ATOM 486 C GLU X 30 -7.946 1.752 8.590 1.00 0.00 C ATOM 487 O GLU X 30 -7.282 2.729 8.821 1.00 0.00 O ATOM 488 CB GLU X 30 -9.034 0.926 10.717 1.00 0.00 C ATOM 489 CG GLU X 30 -10.195 1.123 11.695 1.00 0.00 C ATOM 490 CD GLU X 30 -11.525 0.618 11.186 1.00 0.00 C ATOM 491 OE1 GLU X 30 -11.648 -0.574 10.858 1.00 0.00 O ATOM 492 OE2 GLU X 30 -12.477 1.402 11.139 1.00 0.00 O ATOM 0 H GLU X 30 -10.577 0.029 8.815 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.635 2.517 9.530 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -8.853 -0.143 10.609 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.136 1.359 11.157 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -9.959 0.614 12.629 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -10.286 2.185 11.925 1.00 0.00 H new ATOM 499 N CYS X 31 -7.559 0.830 7.759 1.00 0.00 N ATOM 500 CA CYS X 31 -6.303 0.991 7.020 1.00 0.00 C ATOM 501 C CYS X 31 -6.292 2.278 6.200 1.00 0.00 C ATOM 502 O CYS X 31 -5.305 3.019 6.213 1.00 0.00 O ATOM 503 CB CYS X 31 -5.950 -0.240 6.133 1.00 0.00 C ATOM 504 SG CYS X 31 -5.412 -1.744 7.018 1.00 0.00 S ATOM 0 H CYS X 31 -8.070 -0.031 7.565 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.521 1.062 7.776 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.824 -0.491 5.531 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -5.160 0.052 5.441 1.00 0.00 H new ATOM 509 N LYS X 32 -7.374 2.550 5.509 1.00 0.00 N ATOM 510 CA LYS X 32 -7.460 3.749 4.685 1.00 0.00 C ATOM 511 C LYS X 32 -7.415 4.934 5.560 1.00 0.00 C ATOM 512 O LYS X 32 -6.679 5.861 5.317 1.00 0.00 O ATOM 513 CB LYS X 32 -8.666 3.792 3.709 1.00 0.00 C ATOM 514 CG LYS X 32 -8.648 2.742 2.596 1.00 0.00 C ATOM 515 CD LYS X 32 -8.442 1.360 3.145 1.00 0.00 C ATOM 516 CE LYS X 32 -8.537 0.274 2.097 1.00 0.00 C ATOM 517 NZ LYS X 32 -9.848 0.247 1.453 1.00 0.00 N ATOM 0 H LYS X 32 -8.209 1.964 5.496 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.597 3.738 4.019 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.583 3.670 4.286 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -8.707 4.781 3.252 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.587 2.779 2.045 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -7.853 2.975 1.888 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -7.463 1.309 3.622 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -9.184 1.171 3.921 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -7.766 0.430 1.343 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -8.340 -0.693 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -9.963 -0.649 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -10.591 0.328 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -9.924 1.042 0.787 1.00 0.00 H new ATOM 531 N LYS X 33 -8.176 4.847 6.638 1.00 0.00 N ATOM 532 CA LYS X 33 -8.274 5.911 7.585 1.00 0.00 C ATOM 533 C LYS X 33 -6.878 6.192 8.197 1.00 0.00 C ATOM 534 O LYS X 33 -6.485 7.343 8.355 1.00 0.00 O ATOM 535 CB LYS X 33 -9.354 5.638 8.659 1.00 0.00 C ATOM 536 CG LYS X 33 -8.826 5.011 9.914 1.00 0.00 C ATOM 537 CD LYS X 33 -9.909 4.787 10.962 1.00 0.00 C ATOM 538 CE LYS X 33 -10.548 6.090 11.422 1.00 0.00 C ATOM 539 NZ LYS X 33 -11.539 5.858 12.481 1.00 0.00 N ATOM 0 H LYS X 33 -8.739 4.029 6.869 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.604 6.812 7.067 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -9.843 6.578 8.914 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -10.117 4.986 8.234 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.360 4.056 9.670 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.047 5.648 10.333 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.678 4.133 10.552 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -9.479 4.273 11.821 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -9.775 6.767 11.787 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -11.027 6.581 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -11.955 6.766 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -12.289 5.232 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -11.076 5.412 13.298 1.00 0.00 H new ATOM 553 N THR X 34 -6.138 5.108 8.530 1.00 0.00 N ATOM 554 CA THR X 34 -4.807 5.214 9.064 1.00 0.00 C ATOM 555 C THR X 34 -3.919 5.899 8.051 1.00 0.00 C ATOM 556 O THR X 34 -3.074 6.728 8.393 1.00 0.00 O ATOM 557 CB THR X 34 -4.216 3.853 9.466 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.130 3.174 10.346 1.00 0.00 O ATOM 559 CG2 THR X 34 -2.897 4.052 10.194 1.00 0.00 C ATOM 0 H THR X 34 -6.468 4.148 8.427 1.00 0.00 H new ATOM 0 HA THR X 34 -4.861 5.806 9.977 1.00 0.00 H new ATOM 0 HB THR X 34 -4.051 3.262 8.565 1.00 0.00 H new ATOM 0 HG1 THR X 34 -5.946 2.943 9.855 1.00 0.00 H new ATOM 0 HG21 THR X 34 -2.486 3.082 10.475 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.194 4.568 9.540 1.00 0.00 H new ATOM 0 HG23 THR X 34 -3.063 4.649 11.091 1.00 0.00 H new ATOM 567 N CYS X 35 -4.087 5.518 6.800 1.00 0.00 N ATOM 568 CA CYS X 35 -3.354 6.158 5.743 1.00 0.00 C ATOM 569 C CYS X 35 -3.665 7.641 5.726 1.00 0.00 C ATOM 570 O CYS X 35 -2.732 8.451 5.847 1.00 0.00 O ATOM 571 CB CYS X 35 -3.663 5.493 4.391 1.00 0.00 C ATOM 572 SG CYS X 35 -2.776 6.156 2.940 1.00 0.00 S ATOM 0 H CYS X 35 -4.719 4.776 6.500 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.285 6.040 5.923 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -3.437 4.430 4.473 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -4.734 5.578 4.205 1.00 0.00 H new ATOM 577 N PHE X 36 -4.962 7.995 5.762 1.00 0.00 N ATOM 578 CA PHE X 36 -5.392 9.382 5.579 1.00 0.00 C ATOM 579 C PHE X 36 -4.863 10.209 6.679 1.00 0.00 C ATOM 580 O PHE X 36 -4.543 11.381 6.483 1.00 0.00 O ATOM 581 CB PHE X 36 -6.914 9.543 5.657 1.00 0.00 C ATOM 582 CG PHE X 36 -7.742 8.734 4.728 1.00 0.00 C ATOM 583 CD1 PHE X 36 -7.268 8.331 3.499 1.00 0.00 C ATOM 584 CD2 PHE X 36 -9.031 8.398 5.090 1.00 0.00 C ATOM 585 CE1 PHE X 36 -8.066 7.608 2.654 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.826 7.674 4.251 1.00 0.00 C ATOM 587 CZ PHE X 36 -9.342 7.282 3.034 1.00 0.00 C ATOM 0 H PHE X 36 -5.726 7.336 5.916 1.00 0.00 H new ATOM 0 HA PHE X 36 -5.029 9.682 4.596 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.224 9.307 6.675 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -7.149 10.594 5.487 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -6.262 8.587 3.201 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -9.415 8.712 6.049 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -7.691 7.295 1.691 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.831 7.412 4.546 1.00 0.00 H new ATOM 0 HZ PHE X 36 -9.970 6.711 2.367 1.00 0.00 H new ATOM 597 N LYS X 37 -4.825 9.637 7.845 1.00 0.00 N ATOM 598 CA LYS X 37 -4.326 10.334 8.946 1.00 0.00 C ATOM 599 C LYS X 37 -2.875 10.787 8.859 1.00 0.00 C ATOM 600 O LYS X 37 -2.601 11.882 9.359 1.00 0.00 O ATOM 601 CB LYS X 37 -4.689 9.754 10.315 1.00 0.00 C ATOM 602 CG LYS X 37 -4.063 8.447 10.706 1.00 0.00 C ATOM 603 CD LYS X 37 -4.540 8.059 12.095 1.00 0.00 C ATOM 604 CE LYS X 37 -3.953 6.748 12.568 1.00 0.00 C ATOM 605 NZ LYS X 37 -4.403 6.414 13.933 1.00 0.00 N ATOM 0 H LYS X 37 -5.139 8.686 8.038 1.00 0.00 H new ATOM 0 HA LYS X 37 -4.897 11.259 8.869 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.426 10.492 11.073 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -5.772 9.632 10.351 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -4.331 7.673 9.987 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -2.976 8.532 10.692 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -4.274 8.847 12.800 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -5.628 7.986 12.094 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -4.242 5.951 11.883 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -2.865 6.807 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -3.982 5.509 14.226 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -4.105 7.163 14.590 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -5.440 6.334 13.947 1.00 0.00 H new ATOM 619 N THR X 38 -1.881 9.960 8.340 1.00 0.00 N ATOM 620 CA THR X 38 -0.526 10.503 8.547 1.00 0.00 C ATOM 621 C THR X 38 -0.188 11.775 7.635 1.00 0.00 C ATOM 622 O THR X 38 -1.092 12.519 7.229 1.00 0.00 O ATOM 623 CB THR X 38 0.408 9.320 8.157 1.00 0.00 C ATOM 624 OG1 THR X 38 -0.269 8.075 8.480 1.00 0.00 O ATOM 625 CG2 THR X 38 1.707 9.346 8.949 1.00 0.00 C ATOM 0 H THR X 38 -1.983 9.067 7.858 1.00 0.00 H new ATOM 0 HA THR X 38 -0.411 10.859 9.571 1.00 0.00 H new ATOM 0 HB THR X 38 0.635 9.405 7.094 1.00 0.00 H new ATOM 0 HG1 THR X 38 0.305 7.318 8.239 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.333 8.505 8.649 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.235 10.279 8.752 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.486 9.272 10.014 1.00 0.00 H new ATOM 633 N GLU X 39 1.075 12.013 7.238 1.00 0.00 N ATOM 634 CA GLU X 39 1.386 12.894 6.129 1.00 0.00 C ATOM 635 C GLU X 39 1.221 12.272 4.822 1.00 0.00 C ATOM 636 O GLU X 39 0.490 12.684 3.935 1.00 0.00 O ATOM 637 CB GLU X 39 2.733 13.620 6.233 1.00 0.00 C ATOM 638 CG GLU X 39 2.982 14.356 7.535 1.00 0.00 C ATOM 639 CD GLU X 39 3.619 13.481 8.572 1.00 0.00 C ATOM 640 OE1 GLU X 39 2.969 12.554 9.079 1.00 0.00 O ATOM 641 OE2 GLU X 39 4.803 13.691 8.874 1.00 0.00 O ATOM 0 H GLU X 39 1.894 11.597 7.682 1.00 0.00 H new ATOM 0 HA GLU X 39 0.625 13.669 6.218 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.530 12.891 6.091 1.00 0.00 H new ATOM 0 HB3 GLU X 39 2.804 14.335 5.413 1.00 0.00 H new ATOM 0 HG2 GLU X 39 3.623 15.217 7.346 1.00 0.00 H new ATOM 0 HG3 GLU X 39 2.037 14.741 7.918 1.00 0.00 H new ATOM 648 N TYR X 40 1.963 11.207 4.788 1.00 0.00 N ATOM 649 CA TYR X 40 2.366 10.523 3.623 1.00 0.00 C ATOM 650 C TYR X 40 1.277 9.900 2.871 1.00 0.00 C ATOM 651 O TYR X 40 1.338 9.924 1.665 1.00 0.00 O ATOM 652 CB TYR X 40 3.552 9.584 3.937 1.00 0.00 C ATOM 653 CG TYR X 40 4.634 10.329 4.695 1.00 0.00 C ATOM 654 CD1 TYR X 40 5.391 11.293 4.069 1.00 0.00 C ATOM 655 CD2 TYR X 40 4.863 10.095 6.039 1.00 0.00 C ATOM 656 CE1 TYR X 40 6.355 11.998 4.750 1.00 0.00 C ATOM 657 CE2 TYR X 40 5.823 10.796 6.733 1.00 0.00 C ATOM 658 CZ TYR X 40 6.568 11.746 6.082 1.00 0.00 C ATOM 659 OH TYR X 40 7.532 12.453 6.770 1.00 0.00 O ATOM 0 H TYR X 40 2.321 10.773 5.639 1.00 0.00 H new ATOM 0 HA TYR X 40 2.725 11.273 2.918 1.00 0.00 H new ATOM 0 HB2 TYR X 40 3.205 8.735 4.527 1.00 0.00 H new ATOM 0 HB3 TYR X 40 3.960 9.182 3.010 1.00 0.00 H new ATOM 0 HD1 TYR X 40 5.224 11.500 3.022 1.00 0.00 H new ATOM 0 HD2 TYR X 40 4.277 9.348 6.554 1.00 0.00 H new ATOM 0 HE1 TYR X 40 6.942 12.747 4.239 1.00 0.00 H new ATOM 0 HE2 TYR X 40 5.988 10.600 7.782 1.00 0.00 H new ATOM 0 HH TYR X 40 7.554 12.154 7.703 1.00 0.00 H new ATOM 669 N CYS X 41 0.237 9.433 3.604 1.00 0.00 N ATOM 670 CA CYS X 41 -0.864 8.547 3.014 1.00 0.00 C ATOM 671 C CYS X 41 -0.664 8.133 1.534 1.00 0.00 C ATOM 672 O CYS X 41 -1.101 8.872 0.637 1.00 0.00 O ATOM 673 CB CYS X 41 -2.249 9.179 3.099 1.00 0.00 C ATOM 674 SG CYS X 41 -3.583 8.015 2.577 1.00 0.00 S ATOM 0 H CYS X 41 0.114 9.637 4.596 1.00 0.00 H new ATOM 0 HA CYS X 41 -0.790 7.659 3.642 1.00 0.00 H new ATOM 0 HB2 CYS X 41 -2.435 9.506 4.122 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -2.279 10.069 2.470 1.00 0.00 H new ATOM 679 N TYR X 42 0.013 6.992 1.264 1.00 0.00 N ATOM 680 CA TYR X 42 0.156 6.560 -0.138 1.00 0.00 C ATOM 681 C TYR X 42 0.645 5.132 -0.403 1.00 0.00 C ATOM 682 O TYR X 42 0.407 4.630 -1.508 1.00 0.00 O ATOM 683 CB TYR X 42 0.912 7.574 -1.053 1.00 0.00 C ATOM 684 CG TYR X 42 2.326 7.974 -0.661 1.00 0.00 C ATOM 685 CD1 TYR X 42 2.999 7.413 0.425 1.00 0.00 C ATOM 686 CD2 TYR X 42 2.988 8.933 -1.407 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.270 7.801 0.738 1.00 0.00 C ATOM 688 CE2 TYR X 42 4.264 9.318 -1.097 1.00 0.00 C ATOM 689 CZ TYR X 42 4.899 8.751 -0.027 1.00 0.00 C ATOM 690 OH TYR X 42 6.189 9.113 0.272 1.00 0.00 O ATOM 0 H TYR X 42 0.446 6.385 1.960 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.896 6.544 -0.424 1.00 0.00 H new ATOM 0 HB2 TYR X 42 0.951 7.153 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR X 42 0.312 8.482 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR X 42 2.508 6.662 1.026 1.00 0.00 H new ATOM 0 HD2 TYR X 42 2.488 9.386 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR X 42 4.778 7.362 1.584 1.00 0.00 H new ATOM 0 HE2 TYR X 42 4.766 10.065 -1.694 1.00 0.00 H new ATOM 0 HH TYR X 42 6.416 9.938 -0.206 1.00 0.00 H new ATOM 700 N ILE X 43 1.318 4.436 0.536 1.00 0.00 N ATOM 701 CA ILE X 43 1.819 3.122 0.126 1.00 0.00 C ATOM 702 C ILE X 43 1.270 2.111 1.073 1.00 0.00 C ATOM 703 O ILE X 43 1.163 2.387 2.265 1.00 0.00 O ATOM 704 CB ILE X 43 3.380 3.021 0.111 1.00 0.00 C ATOM 705 CG1 ILE X 43 4.049 4.237 -0.564 1.00 0.00 C ATOM 706 CG2 ILE X 43 3.828 1.734 -0.575 1.00 0.00 C ATOM 707 CD1 ILE X 43 3.728 4.454 -2.019 1.00 0.00 C ATOM 0 H ILE X 43 1.512 4.729 1.494 1.00 0.00 H new ATOM 0 HA ILE X 43 1.494 2.948 -0.900 1.00 0.00 H new ATOM 0 HB ILE X 43 3.701 3.010 1.152 1.00 0.00 H new ATOM 0 HG12 ILE X 43 3.764 5.133 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE X 43 5.129 4.132 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE X 43 4.917 1.682 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.424 0.876 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.464 1.723 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE X 43 4.256 5.337 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE X 43 4.041 3.583 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE X 43 2.654 4.600 -2.137 1.00 0.00 H new ATOM 719 N VAL X 44 0.847 0.992 0.575 1.00 0.00 N ATOM 720 CA VAL X 44 0.305 -0.025 1.416 1.00 0.00 C ATOM 721 C VAL X 44 0.861 -1.370 0.966 1.00 0.00 C ATOM 722 O VAL X 44 1.011 -1.626 -0.243 1.00 0.00 O ATOM 723 CB VAL X 44 -1.240 -0.056 1.337 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.870 -0.996 2.351 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.879 1.326 1.383 1.00 0.00 C ATOM 0 H VAL X 44 0.868 0.760 -0.418 1.00 0.00 H new ATOM 0 HA VAL X 44 0.585 0.185 2.448 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.457 -0.463 0.349 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -2.955 -0.972 2.244 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.511 -2.011 2.179 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.598 -0.680 3.358 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -2.963 1.228 1.323 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.610 1.820 2.317 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.522 1.920 0.542 1.00 0.00 H new ATOM 735 N PHE X 45 1.193 -2.204 1.900 1.00 0.00 N ATOM 736 CA PHE X 45 1.659 -3.521 1.595 1.00 0.00 C ATOM 737 C PHE X 45 0.693 -4.476 2.223 1.00 0.00 C ATOM 738 O PHE X 45 0.411 -4.370 3.393 1.00 0.00 O ATOM 739 CB PHE X 45 3.083 -3.749 2.192 1.00 0.00 C ATOM 740 CG PHE X 45 4.230 -3.050 1.470 1.00 0.00 C ATOM 741 CD1 PHE X 45 4.003 -2.242 0.384 1.00 0.00 C ATOM 742 CD2 PHE X 45 5.547 -3.262 1.853 1.00 0.00 C ATOM 743 CE1 PHE X 45 5.038 -1.659 -0.291 1.00 0.00 C ATOM 744 CE2 PHE X 45 6.588 -2.684 1.158 1.00 0.00 C ATOM 745 CZ PHE X 45 6.320 -1.880 0.086 1.00 0.00 C ATOM 0 H PHE X 45 1.149 -1.992 2.897 1.00 0.00 H new ATOM 0 HA PHE X 45 1.722 -3.666 0.517 1.00 0.00 H new ATOM 0 HB2 PHE X 45 3.077 -3.417 3.230 1.00 0.00 H new ATOM 0 HB3 PHE X 45 3.284 -4.820 2.201 1.00 0.00 H new ATOM 0 HD1 PHE X 45 2.989 -2.064 0.057 1.00 0.00 H new ATOM 0 HD2 PHE X 45 5.759 -3.888 2.707 1.00 0.00 H new ATOM 0 HE1 PHE X 45 4.832 -1.016 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE X 45 7.609 -2.866 1.459 1.00 0.00 H new ATOM 0 HZ PHE X 45 7.130 -1.421 -0.461 1.00 0.00 H new ATOM 755 N GLU X 46 0.216 -5.418 1.504 1.00 0.00 N ATOM 756 CA GLU X 46 -0.710 -6.337 2.107 1.00 0.00 C ATOM 757 C GLU X 46 -0.281 -7.732 1.851 1.00 0.00 C ATOM 758 O GLU X 46 0.443 -7.990 0.912 1.00 0.00 O ATOM 759 CB GLU X 46 -2.166 -6.095 1.662 1.00 0.00 C ATOM 760 CG GLU X 46 -2.714 -4.720 2.055 1.00 0.00 C ATOM 761 CD GLU X 46 -4.206 -4.593 1.859 1.00 0.00 C ATOM 762 OE1 GLU X 46 -4.650 -4.242 0.749 1.00 0.00 O ATOM 763 OE2 GLU X 46 -4.976 -4.847 2.817 1.00 0.00 O ATOM 0 H GLU X 46 0.434 -5.584 0.522 1.00 0.00 H new ATOM 0 HA GLU X 46 -0.697 -6.160 3.182 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -2.228 -6.204 0.579 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -2.802 -6.866 2.097 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -2.474 -4.526 3.101 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -2.211 -3.954 1.465 1.00 0.00 H new ATOM 770 N ASP X 47 -0.653 -8.604 2.714 1.00 0.00 N ATOM 771 CA ASP X 47 -0.334 -10.001 2.572 1.00 0.00 C ATOM 772 C ASP X 47 -1.522 -10.651 1.905 1.00 0.00 C ATOM 773 O ASP X 47 -2.639 -10.518 2.398 1.00 0.00 O ATOM 774 CB ASP X 47 -0.106 -10.621 3.947 1.00 0.00 C ATOM 775 CG ASP X 47 0.388 -12.046 3.886 1.00 0.00 C ATOM 776 OD1 ASP X 47 -0.317 -12.915 3.360 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.475 -12.322 4.400 1.00 0.00 O ATOM 0 H ASP X 47 -1.192 -8.380 3.550 1.00 0.00 H new ATOM 0 HA ASP X 47 0.572 -10.141 1.983 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.617 -10.017 4.495 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -1.039 -10.591 4.510 1.00 0.00 H new ATOM 782 N THR X 48 -1.305 -11.340 0.812 1.00 0.00 N ATOM 783 CA THR X 48 -2.402 -11.919 0.066 1.00 0.00 C ATOM 784 C THR X 48 -2.751 -13.318 0.573 1.00 0.00 C ATOM 785 O THR X 48 -3.853 -13.797 0.343 1.00 0.00 O ATOM 786 CB THR X 48 -2.128 -11.946 -1.486 1.00 0.00 C ATOM 787 OG1 THR X 48 -3.277 -12.443 -2.200 1.00 0.00 O ATOM 788 CG2 THR X 48 -0.920 -12.810 -1.834 1.00 0.00 C ATOM 0 H THR X 48 -0.381 -11.515 0.417 1.00 0.00 H new ATOM 0 HA THR X 48 -3.261 -11.269 0.234 1.00 0.00 H new ATOM 0 HB THR X 48 -1.922 -10.919 -1.786 1.00 0.00 H new ATOM 0 HG1 THR X 48 -3.795 -13.035 -1.615 1.00 0.00 H new ATOM 0 HG21 THR X 48 -0.766 -12.802 -2.913 1.00 0.00 H new ATOM 0 HG22 THR X 48 -0.034 -12.414 -1.338 1.00 0.00 H new ATOM 0 HG23 THR X 48 -1.096 -13.833 -1.500 1.00 0.00 H new ATOM 796 N VAL X 49 -1.820 -13.965 1.239 1.00 0.00 N ATOM 797 CA VAL X 49 -2.038 -15.321 1.722 1.00 0.00 C ATOM 798 C VAL X 49 -2.814 -15.283 3.026 1.00 0.00 C ATOM 799 O VAL X 49 -3.815 -15.959 3.214 1.00 0.00 O ATOM 800 CB VAL X 49 -0.684 -16.060 1.937 1.00 0.00 C ATOM 801 CG1 VAL X 49 -0.900 -17.486 2.428 1.00 0.00 C ATOM 802 CG2 VAL X 49 0.136 -16.059 0.655 1.00 0.00 C ATOM 0 H VAL X 49 -0.903 -13.578 1.461 1.00 0.00 H new ATOM 0 HA VAL X 49 -2.611 -15.865 0.971 1.00 0.00 H new ATOM 0 HB VAL X 49 -0.132 -15.521 2.707 1.00 0.00 H new ATOM 0 HG11 VAL X 49 0.065 -17.973 2.568 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -1.437 -17.467 3.376 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -1.483 -18.040 1.692 1.00 0.00 H new ATOM 0 HG21 VAL X 49 1.078 -16.580 0.825 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.421 -16.565 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL X 49 0.339 -15.031 0.354 1.00 0.00 H new ATOM 812 N ASN X 50 -2.367 -14.429 3.877 1.00 0.00 N ATOM 813 CA ASN X 50 -2.893 -14.266 5.207 1.00 0.00 C ATOM 814 C ASN X 50 -3.975 -13.233 5.238 1.00 0.00 C ATOM 815 O ASN X 50 -4.861 -13.293 6.076 1.00 0.00 O ATOM 816 CB ASN X 50 -1.756 -13.846 6.149 1.00 0.00 C ATOM 817 CG ASN X 50 -0.705 -14.925 6.300 1.00 0.00 C ATOM 818 OD1 ASN X 50 0.328 -14.861 5.486 1.00 0.00 O flip ATOM 819 ND2 ASN X 50 -0.821 -15.810 7.154 1.00 0.00 N flip ATOM 0 H ASN X 50 -1.595 -13.795 3.668 1.00 0.00 H new ATOM 0 HA ASN X 50 -3.320 -15.215 5.530 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -1.289 -12.938 5.768 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -2.169 -13.605 7.128 1.00 0.00 H new ATOM 0 HD21 ASN X 50 -1.637 -15.825 7.766 1.00 0.00 H new ATOM 0 HD22 ASN X 50 -0.101 -16.526 7.247 1.00 0.00 H new ATOM 826 N LYS X 51 -3.950 -12.341 4.262 1.00 0.00 N ATOM 827 CA LYS X 51 -4.840 -11.171 4.220 1.00 0.00 C ATOM 828 C LYS X 51 -4.576 -10.293 5.419 1.00 0.00 C ATOM 829 O LYS X 51 -5.365 -10.209 6.365 1.00 0.00 O ATOM 830 CB LYS X 51 -6.355 -11.477 4.052 1.00 0.00 C ATOM 831 CG LYS X 51 -6.775 -12.040 2.680 1.00 0.00 C ATOM 832 CD LYS X 51 -6.279 -13.465 2.414 1.00 0.00 C ATOM 833 CE LYS X 51 -7.076 -14.548 3.159 1.00 0.00 C ATOM 834 NZ LYS X 51 -7.075 -14.401 4.635 1.00 0.00 N ATOM 0 H LYS X 51 -3.312 -12.400 3.468 1.00 0.00 H new ATOM 0 HA LYS X 51 -4.590 -10.643 3.300 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.651 -12.189 4.822 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -6.915 -10.560 4.234 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -7.863 -12.026 2.610 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -6.397 -11.382 1.897 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -6.328 -13.663 1.343 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -5.230 -13.535 2.703 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -8.107 -14.532 2.805 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -6.666 -15.525 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -7.206 -15.333 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -6.168 -13.996 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -7.850 -13.770 4.922 1.00 0.00 H new ATOM 848 N GLU X 52 -3.416 -9.728 5.409 1.00 0.00 N ATOM 849 CA GLU X 52 -2.964 -8.876 6.467 1.00 0.00 C ATOM 850 C GLU X 52 -2.636 -7.535 5.880 1.00 0.00 C ATOM 851 O GLU X 52 -2.152 -7.468 4.754 1.00 0.00 O ATOM 852 CB GLU X 52 -1.767 -9.497 7.186 1.00 0.00 C ATOM 853 CG GLU X 52 -2.088 -10.795 7.880 1.00 0.00 C ATOM 854 CD GLU X 52 -0.920 -11.312 8.656 1.00 0.00 C ATOM 855 OE1 GLU X 52 -0.059 -11.967 8.077 1.00 0.00 O ATOM 856 OE2 GLU X 52 -0.831 -11.047 9.860 1.00 0.00 O ATOM 0 H GLU X 52 -2.740 -9.845 4.654 1.00 0.00 H new ATOM 0 HA GLU X 52 -3.745 -8.754 7.218 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -0.969 -9.668 6.464 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -1.386 -8.787 7.920 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -2.934 -10.649 8.551 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -2.391 -11.537 7.141 1.00 0.00 H new ATOM 863 N CYS X 53 -2.875 -6.490 6.615 1.00 0.00 N ATOM 864 CA CYS X 53 -2.773 -5.167 6.070 1.00 0.00 C ATOM 865 C CYS X 53 -1.640 -4.436 6.716 1.00 0.00 C ATOM 866 O CYS X 53 -1.602 -4.314 7.932 1.00 0.00 O ATOM 867 CB CYS X 53 -4.105 -4.417 6.300 1.00 0.00 C ATOM 868 SG CYS X 53 -4.179 -2.689 5.688 1.00 0.00 S ATOM 0 H CYS X 53 -3.143 -6.527 7.598 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.578 -5.225 4.999 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -4.904 -4.984 5.822 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.314 -4.411 7.370 1.00 0.00 H new ATOM 873 N TYR X 54 -0.706 -3.985 5.920 1.00 0.00 N ATOM 874 CA TYR X 54 0.369 -3.177 6.406 1.00 0.00 C ATOM 875 C TYR X 54 0.298 -1.890 5.683 1.00 0.00 C ATOM 876 O TYR X 54 0.294 -1.842 4.468 1.00 0.00 O ATOM 877 CB TYR X 54 1.746 -3.803 6.124 1.00 0.00 C ATOM 878 CG TYR X 54 2.100 -5.009 6.937 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.580 -6.256 6.642 1.00 0.00 C ATOM 880 CD2 TYR X 54 2.987 -4.897 7.997 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.928 -7.360 7.384 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.340 -5.992 8.742 1.00 0.00 C ATOM 883 CZ TYR X 54 2.809 -7.221 8.432 1.00 0.00 C ATOM 884 OH TYR X 54 3.144 -8.310 9.189 1.00 0.00 O ATOM 0 H TYR X 54 -0.674 -4.170 4.918 1.00 0.00 H new ATOM 0 HA TYR X 54 0.268 -3.069 7.486 1.00 0.00 H new ATOM 0 HB2 TYR X 54 1.790 -4.075 5.069 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.509 -3.042 6.289 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.891 -6.364 5.817 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.406 -3.932 8.239 1.00 0.00 H new ATOM 0 HE1 TYR X 54 1.513 -8.328 7.146 1.00 0.00 H new ATOM 0 HE2 TYR X 54 4.030 -5.890 9.566 1.00 0.00 H new ATOM 0 HH TYR X 54 3.939 -8.105 9.723 1.00 0.00 H new ATOM 894 N TYR X 55 0.290 -0.869 6.392 1.00 0.00 N ATOM 895 CA TYR X 55 0.189 0.421 5.796 1.00 0.00 C ATOM 896 C TYR X 55 1.454 1.176 5.965 1.00 0.00 C ATOM 897 O TYR X 55 2.021 1.204 7.076 1.00 0.00 O ATOM 898 CB TYR X 55 -1.051 1.188 6.303 1.00 0.00 C ATOM 899 CG TYR X 55 -1.513 0.788 7.703 1.00 0.00 C ATOM 900 CD1 TYR X 55 -2.427 -0.251 7.869 1.00 0.00 C ATOM 901 CD2 TYR X 55 -1.043 1.421 8.837 1.00 0.00 C ATOM 902 CE1 TYR X 55 -2.852 -0.645 9.120 1.00 0.00 C ATOM 903 CE2 TYR X 55 -1.475 1.031 10.099 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.376 -0.003 10.229 1.00 0.00 C ATOM 905 OH TYR X 55 -2.793 -0.399 11.477 1.00 0.00 O ATOM 0 H TYR X 55 0.352 -0.870 7.410 1.00 0.00 H new ATOM 0 HA TYR X 55 0.039 0.296 4.724 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.830 2.255 6.298 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.872 1.029 5.604 1.00 0.00 H new ATOM 0 HD1 TYR X 55 -2.811 -0.759 6.997 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -0.332 2.228 8.742 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -3.557 -1.456 9.223 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -1.105 1.538 10.977 1.00 0.00 H new ATOM 0 HH TYR X 55 -2.361 0.158 12.158 1.00 0.00 H new ATOM 915 N ASN X 56 1.950 1.734 4.864 1.00 0.00 N ATOM 916 CA ASN X 56 3.180 2.504 4.926 1.00 0.00 C ATOM 917 C ASN X 56 2.877 3.843 5.434 1.00 0.00 C ATOM 918 O ASN X 56 2.101 4.615 4.789 1.00 0.00 O ATOM 919 CB ASN X 56 3.862 2.629 3.583 1.00 0.00 C ATOM 920 CG ASN X 56 5.036 3.607 3.610 1.00 0.00 C ATOM 921 OD1 ASN X 56 5.197 4.342 2.557 1.00 0.00 O flip ATOM 922 ND2 ASN X 56 5.758 3.723 4.598 1.00 0.00 N flip ATOM 0 H ASN X 56 1.527 1.668 3.938 1.00 0.00 H new ATOM 0 HA ASN X 56 3.864 1.974 5.589 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.218 1.648 3.267 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.136 2.959 2.840 1.00 0.00 H new ATOM 0 HD21 ASN X 56 5.606 3.129 5.413 1.00 0.00 H new ATOM 0 HD22 ASN X 56 6.509 4.413 4.603 1.00 0.00 H new ATOM 929 N VAL X 57 3.526 4.157 6.531 1.00 0.00 N ATOM 930 CA VAL X 57 3.228 5.387 7.231 1.00 0.00 C ATOM 931 C VAL X 57 4.302 6.426 7.018 1.00 0.00 C ATOM 932 O VAL X 57 4.181 7.557 7.491 1.00 0.00 O ATOM 933 CB VAL X 57 2.965 5.178 8.759 1.00 0.00 C ATOM 934 CG1 VAL X 57 1.766 4.268 8.989 1.00 0.00 C ATOM 935 CG2 VAL X 57 4.193 4.632 9.481 1.00 0.00 C ATOM 0 H VAL X 57 4.256 3.585 6.955 1.00 0.00 H new ATOM 0 HA VAL X 57 2.299 5.754 6.795 1.00 0.00 H new ATOM 0 HB VAL X 57 2.743 6.159 9.180 1.00 0.00 H new ATOM 0 HG11 VAL X 57 1.606 4.140 10.060 1.00 0.00 H new ATOM 0 HG12 VAL X 57 0.879 4.715 8.541 1.00 0.00 H new ATOM 0 HG13 VAL X 57 1.954 3.297 8.532 1.00 0.00 H new ATOM 0 HG21 VAL X 57 3.965 4.502 10.539 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.471 3.671 9.049 1.00 0.00 H new ATOM 0 HG23 VAL X 57 5.021 5.332 9.371 1.00 0.00 H new ATOM 945 N VAL X 58 5.343 6.061 6.304 1.00 0.00 N ATOM 946 CA VAL X 58 6.447 6.986 6.051 1.00 0.00 C ATOM 947 C VAL X 58 6.548 7.215 4.531 1.00 0.00 C ATOM 948 O VAL X 58 5.647 6.826 3.782 1.00 0.00 O ATOM 949 CB VAL X 58 7.803 6.425 6.656 1.00 0.00 C ATOM 950 CG1 VAL X 58 8.908 7.481 6.763 1.00 0.00 C ATOM 951 CG2 VAL X 58 7.575 5.793 8.011 1.00 0.00 C ATOM 0 H VAL X 58 5.457 5.137 5.886 1.00 0.00 H new ATOM 0 HA VAL X 58 6.259 7.940 6.544 1.00 0.00 H new ATOM 0 HB VAL X 58 8.146 5.670 5.949 1.00 0.00 H new ATOM 0 HG11 VAL X 58 9.805 7.027 7.184 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.132 7.875 5.772 1.00 0.00 H new ATOM 0 HG13 VAL X 58 8.574 8.293 7.409 1.00 0.00 H new ATOM 0 HG21 VAL X 58 8.521 5.418 8.401 1.00 0.00 H new ATOM 0 HG22 VAL X 58 7.170 6.538 8.696 1.00 0.00 H new ATOM 0 HG23 VAL X 58 6.870 4.968 7.914 1.00 0.00 H new ATOM 961 N ASP X 59 7.573 7.905 4.101 1.00 0.00 N ATOM 962 CA ASP X 59 7.839 8.159 2.714 1.00 0.00 C ATOM 963 C ASP X 59 8.065 6.855 2.023 1.00 0.00 C ATOM 964 O ASP X 59 8.996 6.109 2.329 1.00 0.00 O ATOM 965 CB ASP X 59 9.082 9.036 2.495 1.00 0.00 C ATOM 966 CG ASP X 59 8.984 10.413 3.077 1.00 0.00 C ATOM 967 OD1 ASP X 59 8.419 11.307 2.425 1.00 0.00 O ATOM 968 OD2 ASP X 59 9.496 10.629 4.197 1.00 0.00 O ATOM 0 H ASP X 59 8.265 8.317 4.728 1.00 0.00 H new ATOM 0 HA ASP X 59 6.978 8.693 2.312 1.00 0.00 H new ATOM 0 HB2 ASP X 59 9.946 8.533 2.929 1.00 0.00 H new ATOM 0 HB3 ASP X 59 9.267 9.121 1.424 1.00 0.00 H new ATOM 973 N GLY X 60 7.237 6.602 1.111 1.00 0.00 N ATOM 974 CA GLY X 60 7.261 5.393 0.400 1.00 0.00 C ATOM 975 C GLY X 60 7.253 5.633 -1.064 1.00 0.00 C ATOM 976 O GLY X 60 7.213 4.714 -1.837 1.00 0.00 O ATOM 0 H GLY X 60 6.498 7.243 0.822 1.00 0.00 H new ATOM 0 HA2 GLY X 60 8.150 4.825 0.673 1.00 0.00 H new ATOM 0 HA3 GLY X 60 6.398 4.788 0.677 1.00 0.00 H new ATOM 980 N GLU X 61 7.297 6.894 -1.456 1.00 0.00 N ATOM 981 CA GLU X 61 7.453 7.242 -2.866 1.00 0.00 C ATOM 982 C GLU X 61 8.865 6.852 -3.278 1.00 0.00 C ATOM 983 O GLU X 61 9.170 6.625 -4.448 1.00 0.00 O ATOM 984 CB GLU X 61 7.193 8.730 -3.075 1.00 0.00 C ATOM 985 CG GLU X 61 8.105 9.640 -2.272 1.00 0.00 C ATOM 986 CD GLU X 61 7.609 11.047 -2.245 1.00 0.00 C ATOM 987 OE1 GLU X 61 7.726 11.755 -3.255 1.00 0.00 O ATOM 988 OE2 GLU X 61 7.068 11.474 -1.197 1.00 0.00 O ATOM 0 H GLU X 61 7.228 7.693 -0.826 1.00 0.00 H new ATOM 0 HA GLU X 61 6.731 6.708 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU X 61 7.307 8.962 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU X 61 6.158 8.947 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU X 61 8.185 9.264 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU X 61 9.107 9.617 -2.700 1.00 0.00 H new ATOM 995 N GLU X 62 9.700 6.734 -2.255 1.00 0.00 N ATOM 996 CA GLU X 62 11.045 6.295 -2.357 1.00 0.00 C ATOM 997 C GLU X 62 11.068 4.776 -2.587 1.00 0.00 C ATOM 998 O GLU X 62 12.101 4.203 -2.948 1.00 0.00 O ATOM 999 CB GLU X 62 11.788 6.673 -1.068 1.00 0.00 C ATOM 1000 CG GLU X 62 13.286 6.425 -1.088 1.00 0.00 C ATOM 1001 CD GLU X 62 13.969 7.170 -2.194 1.00 0.00 C ATOM 1002 OE1 GLU X 62 14.115 8.407 -2.086 1.00 0.00 O ATOM 1003 OE2 GLU X 62 14.376 6.535 -3.191 1.00 0.00 O ATOM 0 H GLU X 62 9.426 6.957 -1.298 1.00 0.00 H new ATOM 0 HA GLU X 62 11.542 6.774 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU X 62 11.614 7.729 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU X 62 11.354 6.112 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU X 62 13.715 6.725 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU X 62 13.474 5.357 -1.201 1.00 0.00 H new ATOM 1010 N LEU X 63 9.938 4.113 -2.386 1.00 0.00 N ATOM 1011 CA LEU X 63 9.900 2.694 -2.661 1.00 0.00 C ATOM 1012 C LEU X 63 9.745 2.511 -4.155 1.00 0.00 C ATOM 1013 O LEU X 63 8.684 2.765 -4.715 1.00 0.00 O ATOM 1014 CB LEU X 63 8.781 2.004 -1.874 1.00 0.00 C ATOM 1015 CG LEU X 63 8.909 2.107 -0.346 1.00 0.00 C ATOM 1016 CD1 LEU X 63 7.699 1.517 0.347 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.181 1.422 0.140 1.00 0.00 C ATOM 0 H LEU X 63 9.067 4.521 -2.046 1.00 0.00 H new ATOM 0 HA LEU X 63 10.827 2.223 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU X 63 7.826 2.435 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.757 0.950 -2.152 1.00 0.00 H new ATOM 0 HG LEU X 63 8.965 3.165 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU X 63 7.819 1.605 1.427 1.00 0.00 H new ATOM 0 HD12 LEU X 63 6.803 2.055 0.037 1.00 0.00 H new ATOM 0 HD13 LEU X 63 7.602 0.465 0.077 1.00 0.00 H new ATOM 0 HD21 LEU X 63 10.249 1.508 1.224 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.156 0.369 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.048 1.898 -0.317 1.00 0.00 H new ATOM 1029 N ASP X 64 10.831 2.142 -4.801 1.00 0.00 N ATOM 1030 CA ASP X 64 10.847 2.017 -6.244 1.00 0.00 C ATOM 1031 C ASP X 64 10.437 0.631 -6.626 1.00 0.00 C ATOM 1032 O ASP X 64 11.118 -0.345 -6.300 1.00 0.00 O ATOM 1033 CB ASP X 64 12.219 2.316 -6.810 1.00 0.00 C ATOM 1034 CG ASP X 64 12.193 2.573 -8.305 1.00 0.00 C ATOM 1035 OD1 ASP X 64 11.799 1.682 -9.096 1.00 0.00 O ATOM 1036 OD2 ASP X 64 12.585 3.684 -8.724 1.00 0.00 O ATOM 0 H ASP X 64 11.718 1.922 -4.348 1.00 0.00 H new ATOM 0 HA ASP X 64 10.147 2.743 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP X 64 12.635 3.187 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP X 64 12.884 1.478 -6.601 1.00 0.00 H new ATOM 1041 N GLN X 65 9.386 0.566 -7.362 1.00 0.00 N ATOM 1042 CA GLN X 65 8.707 -0.657 -7.698 1.00 0.00 C ATOM 1043 C GLN X 65 9.531 -1.558 -8.608 1.00 0.00 C ATOM 1044 O GLN X 65 9.433 -2.785 -8.545 1.00 0.00 O ATOM 1045 CB GLN X 65 7.421 -0.302 -8.408 1.00 0.00 C ATOM 1046 CG GLN X 65 6.524 -1.471 -8.683 1.00 0.00 C ATOM 1047 CD GLN X 65 5.927 -2.023 -7.419 1.00 0.00 C ATOM 1048 OE1 GLN X 65 6.459 -2.949 -6.793 1.00 0.00 O ATOM 1049 NE2 GLN X 65 4.851 -1.429 -7.025 1.00 0.00 N ATOM 0 H GLN X 65 8.949 1.393 -7.769 1.00 0.00 H new ATOM 0 HA GLN X 65 8.527 -1.204 -6.773 1.00 0.00 H new ATOM 0 HB2 GLN X 65 6.876 0.425 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN X 65 7.664 0.185 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN X 65 5.726 -1.166 -9.360 1.00 0.00 H new ATOM 0 HG3 GLN X 65 7.090 -2.253 -9.190 1.00 0.00 H new ATOM 0 HE21 GLN X 65 4.455 -0.671 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN X 65 4.397 -1.718 -6.158 1.00 0.00 H new ATOM 1058 N GLU X 66 10.353 -0.985 -9.437 1.00 0.00 N ATOM 1059 CA GLU X 66 11.024 -1.804 -10.397 1.00 0.00 C ATOM 1060 C GLU X 66 12.348 -2.362 -9.877 1.00 0.00 C ATOM 1061 O GLU X 66 12.942 -3.237 -10.497 1.00 0.00 O ATOM 1062 CB GLU X 66 11.151 -1.137 -11.770 1.00 0.00 C ATOM 1063 CG GLU X 66 9.814 -0.647 -12.375 1.00 0.00 C ATOM 1064 CD GLU X 66 9.433 0.728 -11.886 1.00 0.00 C ATOM 1065 OE1 GLU X 66 10.130 1.700 -12.225 1.00 0.00 O ATOM 1066 OE2 GLU X 66 8.456 0.862 -11.142 1.00 0.00 O ATOM 0 H GLU X 66 10.569 0.011 -9.469 1.00 0.00 H new ATOM 0 HA GLU X 66 10.379 -2.669 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.829 -0.288 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.610 -1.844 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU X 66 9.893 -0.634 -13.462 1.00 0.00 H new ATOM 0 HG3 GLU X 66 9.023 -1.352 -12.121 1.00 0.00 H new ATOM 1073 N LYS X 67 12.794 -1.878 -8.721 1.00 0.00 N ATOM 1074 CA LYS X 67 14.002 -2.434 -8.083 1.00 0.00 C ATOM 1075 C LYS X 67 13.589 -3.362 -6.952 1.00 0.00 C ATOM 1076 O LYS X 67 14.405 -3.883 -6.188 1.00 0.00 O ATOM 1077 CB LYS X 67 15.002 -1.353 -7.607 1.00 0.00 C ATOM 1078 CG LYS X 67 15.581 -0.507 -8.741 1.00 0.00 C ATOM 1079 CD LYS X 67 14.605 0.551 -9.196 1.00 0.00 C ATOM 1080 CE LYS X 67 14.960 1.145 -10.542 1.00 0.00 C ATOM 1081 NZ LYS X 67 14.016 2.228 -10.910 1.00 0.00 N ATOM 0 H LYS X 67 12.352 -1.115 -8.208 1.00 0.00 H new ATOM 0 HA LYS X 67 14.545 -3.002 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS X 67 14.502 -0.696 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS X 67 15.820 -1.837 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS X 67 16.504 -0.033 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.839 -1.151 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS X 67 13.606 0.117 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS X 67 14.568 1.347 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS X 67 15.976 1.538 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS X 67 14.940 0.366 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 14.028 2.363 -11.941 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 13.056 1.970 -10.606 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 14.302 3.111 -10.441 1.00 0.00 H new ATOM 1095 N PHE X 68 12.311 -3.558 -6.894 1.00 0.00 N ATOM 1096 CA PHE X 68 11.646 -4.467 -6.017 1.00 0.00 C ATOM 1097 C PHE X 68 11.767 -5.875 -6.603 1.00 0.00 C ATOM 1098 O PHE X 68 11.799 -6.036 -7.826 1.00 0.00 O ATOM 1099 CB PHE X 68 10.173 -4.054 -5.866 1.00 0.00 C ATOM 1100 CG PHE X 68 9.820 -3.325 -4.603 1.00 0.00 C ATOM 1101 CD1 PHE X 68 10.637 -2.339 -4.076 1.00 0.00 C ATOM 1102 CD2 PHE X 68 8.670 -3.665 -3.921 1.00 0.00 C ATOM 1103 CE1 PHE X 68 10.302 -1.708 -2.893 1.00 0.00 C ATOM 1104 CE2 PHE X 68 8.337 -3.049 -2.740 1.00 0.00 C ATOM 1105 CZ PHE X 68 9.149 -2.073 -2.224 1.00 0.00 C ATOM 0 H PHE X 68 11.662 -3.054 -7.498 1.00 0.00 H new ATOM 0 HA PHE X 68 12.101 -4.451 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.905 -3.423 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE X 68 9.557 -4.951 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE X 68 11.543 -2.061 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE X 68 8.021 -4.429 -4.323 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.939 -0.933 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE X 68 7.435 -3.334 -2.218 1.00 0.00 H new ATOM 0 HZ PHE X 68 8.888 -1.589 -1.294 1.00 0.00 H new ATOM 1115 N VAL X 69 11.794 -6.876 -5.759 1.00 0.00 N ATOM 1116 CA VAL X 69 12.029 -8.258 -6.179 1.00 0.00 C ATOM 1117 C VAL X 69 10.759 -8.987 -5.846 1.00 0.00 C ATOM 1118 O VAL X 69 10.098 -8.619 -4.936 1.00 0.00 O ATOM 1119 CB VAL X 69 13.185 -8.871 -5.324 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.485 -10.313 -5.702 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.435 -8.023 -5.429 1.00 0.00 C ATOM 0 H VAL X 69 11.654 -6.767 -4.754 1.00 0.00 H new ATOM 0 HA VAL X 69 12.295 -8.325 -7.234 1.00 0.00 H new ATOM 0 HB VAL X 69 12.846 -8.876 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.295 -10.691 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.594 -10.922 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.781 -10.360 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.228 -8.467 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.755 -7.974 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL X 69 14.224 -7.017 -5.066 1.00 0.00 H new ATOM 1131 N VAL X 70 10.362 -9.943 -6.603 1.00 0.00 N ATOM 1132 CA VAL X 70 9.050 -10.484 -6.364 1.00 0.00 C ATOM 1133 C VAL X 70 8.933 -11.357 -5.114 1.00 0.00 C ATOM 1134 O VAL X 70 9.547 -12.420 -5.012 1.00 0.00 O ATOM 1135 CB VAL X 70 8.440 -11.179 -7.618 1.00 0.00 C ATOM 1136 CG1 VAL X 70 9.344 -12.262 -8.164 1.00 0.00 C ATOM 1137 CG2 VAL X 70 7.061 -11.746 -7.328 1.00 0.00 C ATOM 0 H VAL X 70 10.892 -10.362 -7.367 1.00 0.00 H new ATOM 0 HA VAL X 70 8.441 -9.605 -6.153 1.00 0.00 H new ATOM 0 HB VAL X 70 8.342 -10.406 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL X 70 8.878 -12.719 -9.037 1.00 0.00 H new ATOM 0 HG12 VAL X 70 10.302 -11.827 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL X 70 9.504 -13.022 -7.399 1.00 0.00 H new ATOM 0 HG21 VAL X 70 6.667 -12.223 -8.226 1.00 0.00 H new ATOM 0 HG22 VAL X 70 7.131 -12.482 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL X 70 6.393 -10.940 -7.023 1.00 0.00 H new ATOM 1147 N ASP X 71 8.146 -10.878 -4.153 1.00 0.00 N ATOM 1148 CA ASP X 71 7.722 -11.679 -3.055 1.00 0.00 C ATOM 1149 C ASP X 71 6.292 -11.961 -3.366 1.00 0.00 C ATOM 1150 O ASP X 71 5.538 -11.033 -3.669 1.00 0.00 O ATOM 1151 CB ASP X 71 7.843 -10.938 -1.733 1.00 0.00 C ATOM 1152 CG ASP X 71 7.274 -11.735 -0.600 1.00 0.00 C ATOM 1153 OD1 ASP X 71 6.071 -11.611 -0.355 1.00 0.00 O ATOM 1154 OD2 ASP X 71 8.024 -12.521 0.058 1.00 0.00 O ATOM 0 H ASP X 71 7.795 -9.920 -4.133 1.00 0.00 H new ATOM 0 HA ASP X 71 8.329 -12.577 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP X 71 8.892 -10.718 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP X 71 7.324 -9.982 -1.802 1.00 0.00 H new ATOM 1159 N GLU X 72 5.923 -13.199 -3.352 1.00 0.00 N ATOM 1160 CA GLU X 72 4.623 -13.578 -3.845 1.00 0.00 C ATOM 1161 C GLU X 72 3.543 -13.545 -2.776 1.00 0.00 C ATOM 1162 O GLU X 72 2.353 -13.585 -3.091 1.00 0.00 O ATOM 1163 CB GLU X 72 4.693 -14.953 -4.495 1.00 0.00 C ATOM 1164 CG GLU X 72 5.149 -16.046 -3.561 1.00 0.00 C ATOM 1165 CD GLU X 72 5.120 -17.388 -4.207 1.00 0.00 C ATOM 1166 OE1 GLU X 72 4.017 -17.985 -4.300 1.00 0.00 O ATOM 1167 OE2 GLU X 72 6.187 -17.884 -4.611 1.00 0.00 O ATOM 0 H GLU X 72 6.495 -13.970 -3.007 1.00 0.00 H new ATOM 0 HA GLU X 72 4.337 -12.834 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU X 72 3.709 -15.210 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU X 72 5.373 -14.908 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU X 72 6.162 -15.831 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU X 72 4.511 -16.056 -2.678 1.00 0.00 H new ATOM 1174 N ASN X 73 3.936 -13.440 -1.539 1.00 0.00 N ATOM 1175 CA ASN X 73 2.963 -13.494 -0.459 1.00 0.00 C ATOM 1176 C ASN X 73 2.443 -12.116 -0.110 1.00 0.00 C ATOM 1177 O ASN X 73 1.338 -11.974 0.415 1.00 0.00 O ATOM 1178 CB ASN X 73 3.479 -14.276 0.770 1.00 0.00 C ATOM 1179 CG ASN X 73 4.810 -13.794 1.274 1.00 0.00 C ATOM 1180 OD1 ASN X 73 4.888 -12.934 2.133 1.00 0.00 O ATOM 1181 ND2 ASN X 73 5.865 -14.365 0.773 1.00 0.00 N ATOM 0 H ASN X 73 4.905 -13.318 -1.245 1.00 0.00 H new ATOM 0 HA ASN X 73 2.110 -14.065 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.746 -14.199 1.573 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.558 -15.332 0.511 1.00 0.00 H new ATOM 0 HD21 ASN X 73 6.794 -14.096 1.098 1.00 0.00 H new ATOM 0 HD22 ASN X 73 5.764 -15.082 0.055 1.00 0.00 H new ATOM 1188 N PHE X 74 3.209 -11.106 -0.423 1.00 0.00 N ATOM 1189 CA PHE X 74 2.766 -9.746 -0.247 1.00 0.00 C ATOM 1190 C PHE X 74 2.366 -9.107 -1.564 1.00 0.00 C ATOM 1191 O PHE X 74 2.810 -9.508 -2.617 1.00 0.00 O ATOM 1192 CB PHE X 74 3.815 -8.892 0.461 1.00 0.00 C ATOM 1193 CG PHE X 74 3.737 -8.942 1.956 1.00 0.00 C ATOM 1194 CD1 PHE X 74 4.217 -10.019 2.663 1.00 0.00 C ATOM 1195 CD2 PHE X 74 3.162 -7.897 2.650 1.00 0.00 C ATOM 1196 CE1 PHE X 74 4.126 -10.059 4.038 1.00 0.00 C ATOM 1197 CE2 PHE X 74 3.063 -7.929 4.015 1.00 0.00 C ATOM 1198 CZ PHE X 74 3.545 -9.010 4.715 1.00 0.00 C ATOM 0 H PHE X 74 4.150 -11.199 -0.804 1.00 0.00 H new ATOM 0 HA PHE X 74 1.882 -9.790 0.389 1.00 0.00 H new ATOM 0 HB2 PHE X 74 4.806 -9.220 0.148 1.00 0.00 H new ATOM 0 HB3 PHE X 74 3.705 -7.857 0.137 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.671 -10.844 2.134 1.00 0.00 H new ATOM 0 HD2 PHE X 74 2.785 -7.042 2.109 1.00 0.00 H new ATOM 0 HE1 PHE X 74 4.509 -10.910 4.582 1.00 0.00 H new ATOM 0 HE2 PHE X 74 2.606 -7.105 4.542 1.00 0.00 H new ATOM 0 HZ PHE X 74 3.468 -9.036 5.792 1.00 0.00 H new ATOM 1208 N THR X 75 1.582 -8.066 -1.473 1.00 0.00 N ATOM 1209 CA THR X 75 1.072 -7.342 -2.598 1.00 0.00 C ATOM 1210 C THR X 75 1.624 -5.951 -2.479 1.00 0.00 C ATOM 1211 O THR X 75 1.787 -5.450 -1.332 1.00 0.00 O ATOM 1212 CB THR X 75 -0.488 -7.254 -2.486 1.00 0.00 C ATOM 1213 OG1 THR X 75 -0.866 -6.466 -1.349 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.086 -8.632 -2.310 1.00 0.00 C ATOM 0 H THR X 75 1.272 -7.688 -0.578 1.00 0.00 H new ATOM 0 HA THR X 75 1.345 -7.821 -3.538 1.00 0.00 H new ATOM 0 HB THR X 75 -0.857 -6.796 -3.404 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.098 -5.560 -1.642 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.170 -8.551 -2.234 1.00 0.00 H new ATOM 0 HG22 THR X 75 -0.828 -9.253 -3.168 1.00 0.00 H new ATOM 0 HG23 THR X 75 -0.692 -9.086 -1.401 1.00 0.00 H new ATOM 1222 N GLU X 76 2.038 -5.336 -3.575 1.00 0.00 N ATOM 1223 CA GLU X 76 2.486 -4.006 -3.455 1.00 0.00 C ATOM 1224 C GLU X 76 1.479 -3.164 -4.173 1.00 0.00 C ATOM 1225 O GLU X 76 1.222 -3.381 -5.373 1.00 0.00 O ATOM 1226 CB GLU X 76 3.896 -3.854 -4.060 1.00 0.00 C ATOM 1227 CG GLU X 76 4.680 -2.633 -3.608 1.00 0.00 C ATOM 1228 CD GLU X 76 3.904 -1.348 -3.674 1.00 0.00 C ATOM 1229 OE1 GLU X 76 3.670 -0.869 -4.764 1.00 0.00 O ATOM 1230 OE2 GLU X 76 3.457 -0.890 -2.625 1.00 0.00 O ATOM 0 H GLU X 76 2.065 -5.737 -4.512 1.00 0.00 H new ATOM 0 HA GLU X 76 2.569 -3.698 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.474 -4.745 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU X 76 3.804 -3.822 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU X 76 5.017 -2.789 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU X 76 5.573 -2.538 -4.226 1.00 0.00 H new ATOM 1237 N ASN X 77 0.905 -2.230 -3.469 1.00 0.00 N ATOM 1238 CA ASN X 77 -0.053 -1.402 -4.036 1.00 0.00 C ATOM 1239 C ASN X 77 0.170 0.008 -3.523 1.00 0.00 C ATOM 1240 O ASN X 77 0.047 0.294 -2.318 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.441 -2.002 -3.727 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.576 -2.614 -2.331 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -1.497 -3.850 -2.165 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.615 -1.811 -1.350 1.00 0.00 N ATOM 0 H ASN X 77 1.107 -2.042 -2.487 1.00 0.00 H new ATOM 0 HA ASN X 77 0.018 -1.338 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -2.193 -1.221 -3.841 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.663 -2.769 -4.468 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -1.582 -2.170 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -1.680 -0.807 -1.515 1.00 0.00 H new ATOM 1251 N TYR X 78 0.428 0.898 -4.445 1.00 0.00 N ATOM 1252 CA TYR X 78 0.887 2.237 -4.116 1.00 0.00 C ATOM 1253 C TYR X 78 0.186 3.277 -4.967 1.00 0.00 C ATOM 1254 O TYR X 78 -0.174 3.008 -6.102 1.00 0.00 O ATOM 1255 CB TYR X 78 2.432 2.331 -4.310 1.00 0.00 C ATOM 1256 CG TYR X 78 2.957 2.279 -5.753 1.00 0.00 C ATOM 1257 CD1 TYR X 78 2.579 1.277 -6.641 1.00 0.00 C ATOM 1258 CD2 TYR X 78 3.860 3.233 -6.204 1.00 0.00 C ATOM 1259 CE1 TYR X 78 3.074 1.232 -7.922 1.00 0.00 C ATOM 1260 CE2 TYR X 78 4.360 3.194 -7.490 1.00 0.00 C ATOM 1261 CZ TYR X 78 3.962 2.189 -8.344 1.00 0.00 C ATOM 1262 OH TYR X 78 4.451 2.142 -9.630 1.00 0.00 O ATOM 0 H TYR X 78 0.329 0.723 -5.445 1.00 0.00 H new ATOM 0 HA TYR X 78 0.644 2.437 -3.072 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.774 3.262 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR X 78 2.894 1.517 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR X 78 1.882 0.519 -6.317 1.00 0.00 H new ATOM 0 HD2 TYR X 78 4.177 4.020 -5.536 1.00 0.00 H new ATOM 0 HE1 TYR X 78 2.765 0.446 -8.595 1.00 0.00 H new ATOM 0 HE2 TYR X 78 5.059 3.947 -7.825 1.00 0.00 H new ATOM 0 HH TYR X 78 5.068 2.890 -9.773 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.034 4.437 -4.423 1.00 0.00 N ATOM 1273 CA LEU X 79 -0.669 5.509 -5.167 1.00 0.00 C ATOM 1274 C LEU X 79 0.284 6.160 -6.174 1.00 0.00 C ATOM 1275 O LEU X 79 1.223 6.864 -5.796 1.00 0.00 O ATOM 1276 CB LEU X 79 -1.228 6.571 -4.232 1.00 0.00 C ATOM 1277 CG LEU X 79 -1.681 7.862 -4.921 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -2.828 7.624 -5.872 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -2.012 8.929 -3.915 1.00 0.00 C ATOM 0 H LEU X 79 0.214 4.676 -3.463 1.00 0.00 H new ATOM 0 HA LEU X 79 -1.489 5.054 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -2.075 6.149 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -0.468 6.819 -3.491 1.00 0.00 H new ATOM 0 HG LEU X 79 -0.842 8.218 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -3.116 8.566 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -2.521 6.917 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -3.677 7.216 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -2.330 9.833 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -2.816 8.581 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -1.130 9.148 -3.313 1.00 0.00 H new