USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -3.09 K(o=-3.6,f=-5.4!) USER MOD Set 1.2: A 45 ASN : amide:sc= -0.504 X(o=-3.6,f=-4.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.165 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.0079) USER MOD Single : A 31 SER OG : rot 180:sc= -0.12 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc=-0.00516 (180deg=-0.297) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.223) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.239 F(o=-2,f=-0.24) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -0.96 (180deg=-2.68!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc=-0.000661 (180deg=-0.251) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 1.303 -0.018 -0.757 1.00 0.00 N ATOM 86 CA PRO A 8 1.269 1.290 -0.020 1.00 0.00 C ATOM 87 C PRO A 8 0.577 2.470 -0.775 1.00 0.00 C ATOM 88 O PRO A 8 0.222 2.308 -1.926 1.00 0.00 O ATOM 89 CB PRO A 8 2.761 1.555 0.302 1.00 0.00 C ATOM 90 CG PRO A 8 3.513 0.727 -0.767 1.00 0.00 C ATOM 91 CD PRO A 8 2.689 -0.562 -0.809 1.00 0.00 C ATOM 0 HA PRO A 8 0.640 1.226 0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.004 2.615 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.017 1.234 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.533 1.230 -1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.549 0.540 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.872 -1.138 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.906 -1.218 0.034 1.00 0.00 H new ATOM 99 N PRO A 9 0.403 3.602 -0.110 1.00 0.00 N ATOM 100 CA PRO A 9 -0.013 4.928 -0.690 1.00 0.00 C ATOM 101 C PRO A 9 0.369 5.325 -2.137 1.00 0.00 C ATOM 102 O PRO A 9 0.927 4.555 -2.894 1.00 0.00 O ATOM 103 CB PRO A 9 0.495 5.955 0.371 1.00 0.00 C ATOM 104 CG PRO A 9 1.327 5.114 1.371 1.00 0.00 C ATOM 105 CD PRO A 9 0.619 3.767 1.356 1.00 0.00 C ATOM 0 HA PRO A 9 -1.090 4.885 -0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.102 6.734 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.337 6.453 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.367 5.027 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.330 5.557 2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.231 2.970 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.316 3.782 1.916 1.00 0.00 H new ATOM 113 N SER A 10 0.046 6.557 -2.454 1.00 0.00 N ATOM 114 CA SER A 10 0.314 7.143 -3.811 1.00 0.00 C ATOM 115 C SER A 10 1.527 8.088 -3.868 1.00 0.00 C ATOM 116 O SER A 10 2.473 7.832 -4.586 1.00 0.00 O ATOM 117 CB SER A 10 -0.951 7.901 -4.255 1.00 0.00 C ATOM 118 OG SER A 10 -1.965 6.905 -4.265 1.00 0.00 O ATOM 0 H SER A 10 -0.407 7.203 -1.807 1.00 0.00 H new ATOM 0 HA SER A 10 0.558 6.316 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.194 8.710 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.822 8.349 -5.240 1.00 0.00 H new ATOM 0 HG SER A 10 -2.816 7.307 -4.539 1.00 0.00 H new ATOM 124 N ALA A 11 1.438 9.143 -3.098 1.00 0.00 N ATOM 125 CA ALA A 11 2.467 10.230 -2.962 1.00 0.00 C ATOM 126 C ALA A 11 1.615 11.393 -2.450 1.00 0.00 C ATOM 127 O ALA A 11 1.943 12.083 -1.504 1.00 0.00 O ATOM 128 CB ALA A 11 3.067 10.632 -4.312 1.00 0.00 C ATOM 0 H ALA A 11 0.622 9.307 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 11 3.306 9.934 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.805 11.420 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.548 9.767 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.276 10.996 -4.968 1.00 0.00 H new ATOM 134 N PHE A 12 0.515 11.550 -3.139 1.00 0.00 N ATOM 135 CA PHE A 12 -0.466 12.609 -2.815 1.00 0.00 C ATOM 136 C PHE A 12 -1.195 12.125 -1.583 1.00 0.00 C ATOM 137 O PHE A 12 -1.663 12.937 -0.822 1.00 0.00 O ATOM 138 CB PHE A 12 -1.354 12.790 -4.084 1.00 0.00 C ATOM 139 CG PHE A 12 -2.882 12.930 -4.021 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.573 13.572 -3.008 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.603 12.400 -5.077 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.950 13.672 -3.059 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.976 12.509 -5.121 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.650 13.142 -4.111 1.00 0.00 C ATOM 0 H PHE A 12 0.256 10.967 -3.935 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.051 13.590 -2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.983 13.677 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.148 11.937 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.034 13.997 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.083 11.894 -5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.480 14.173 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.522 12.094 -5.955 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.726 13.223 -4.143 1.00 0.00 H new ATOM 154 N PHE A 13 -1.266 10.828 -1.396 1.00 0.00 N ATOM 155 CA PHE A 13 -1.972 10.285 -0.200 1.00 0.00 C ATOM 156 C PHE A 13 -1.486 10.976 1.092 1.00 0.00 C ATOM 157 O PHE A 13 -2.293 11.350 1.916 1.00 0.00 O ATOM 158 CB PHE A 13 -1.713 8.770 -0.120 1.00 0.00 C ATOM 159 CG PHE A 13 -3.030 8.078 0.267 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.938 7.720 -0.715 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.332 7.811 1.589 1.00 0.00 C ATOM 162 CE1 PHE A 13 -5.127 7.106 -0.382 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.521 7.197 1.922 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.421 6.845 0.939 1.00 0.00 C ATOM 0 H PHE A 13 -0.866 10.127 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.040 10.478 -0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.353 8.395 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.939 8.555 0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.713 7.924 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.633 8.085 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.828 6.830 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.748 6.991 2.958 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.353 6.367 1.203 1.00 0.00 H new ATOM 174 N LEU A 14 -0.188 11.140 1.233 1.00 0.00 N ATOM 175 CA LEU A 14 0.384 11.797 2.457 1.00 0.00 C ATOM 176 C LEU A 14 -0.276 13.179 2.605 1.00 0.00 C ATOM 177 O LEU A 14 -0.979 13.465 3.558 1.00 0.00 O ATOM 178 CB LEU A 14 1.930 11.956 2.304 1.00 0.00 C ATOM 179 CG LEU A 14 2.749 10.616 2.199 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.316 9.552 3.231 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.746 10.018 0.777 1.00 0.00 C ATOM 0 H LEU A 14 0.505 10.844 0.546 1.00 0.00 H new ATOM 0 HA LEU A 14 0.189 11.188 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.129 12.552 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.304 12.523 3.157 1.00 0.00 H new ATOM 0 HG LEU A 14 3.773 10.903 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.921 8.654 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.457 9.944 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.265 9.306 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.327 9.096 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.721 9.804 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.188 10.731 0.081 1.00 0.00 H new ATOM 193 N PHE A 15 -0.004 13.986 1.615 1.00 0.00 N ATOM 194 CA PHE A 15 -0.530 15.379 1.508 1.00 0.00 C ATOM 195 C PHE A 15 -2.033 15.380 1.904 1.00 0.00 C ATOM 196 O PHE A 15 -2.473 16.051 2.821 1.00 0.00 O ATOM 197 CB PHE A 15 -0.216 15.764 0.038 1.00 0.00 C ATOM 198 CG PHE A 15 -1.044 16.904 -0.573 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.300 18.089 0.089 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.528 16.726 -1.863 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.030 19.072 -0.548 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.252 17.711 -2.487 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.505 18.884 -1.830 1.00 0.00 C ATOM 0 H PHE A 15 0.595 13.719 0.834 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.086 16.116 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.837 16.039 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.351 14.877 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.933 18.244 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.332 15.799 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.232 20.001 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.620 17.561 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.076 19.662 -2.314 1.00 0.00 H new ATOM 213 N CYS A 16 -2.747 14.585 1.157 1.00 0.00 N ATOM 214 CA CYS A 16 -4.219 14.375 1.310 1.00 0.00 C ATOM 215 C CYS A 16 -4.648 14.102 2.743 1.00 0.00 C ATOM 216 O CYS A 16 -5.543 14.743 3.240 1.00 0.00 O ATOM 217 CB CYS A 16 -4.655 13.183 0.432 1.00 0.00 C ATOM 218 SG CYS A 16 -5.833 11.994 1.119 1.00 0.00 S ATOM 0 H CYS A 16 -2.342 14.037 0.398 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.699 15.303 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.086 13.586 -0.484 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.757 12.634 0.147 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.079 11.069 0.239 1.00 0.00 H new ATOM 223 N SER A 17 -4.003 13.153 3.365 1.00 0.00 N ATOM 224 CA SER A 17 -4.327 12.779 4.769 1.00 0.00 C ATOM 225 C SER A 17 -4.421 13.995 5.687 1.00 0.00 C ATOM 226 O SER A 17 -5.401 14.213 6.373 1.00 0.00 O ATOM 227 CB SER A 17 -3.242 11.816 5.269 1.00 0.00 C ATOM 228 OG SER A 17 -3.708 11.375 6.538 1.00 0.00 O ATOM 0 H SER A 17 -3.248 12.609 2.948 1.00 0.00 H new ATOM 0 HA SER A 17 -5.307 12.302 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.109 10.979 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.277 12.316 5.353 1.00 0.00 H new ATOM 0 HG SER A 17 -3.061 10.748 6.924 1.00 0.00 H new ATOM 234 N GLU A 18 -3.354 14.740 5.642 1.00 0.00 N ATOM 235 CA GLU A 18 -3.224 15.981 6.454 1.00 0.00 C ATOM 236 C GLU A 18 -4.318 17.016 6.117 1.00 0.00 C ATOM 237 O GLU A 18 -4.650 17.861 6.925 1.00 0.00 O ATOM 238 CB GLU A 18 -1.825 16.523 6.180 1.00 0.00 C ATOM 239 CG GLU A 18 -1.594 17.796 7.012 1.00 0.00 C ATOM 240 CD GLU A 18 -0.132 18.253 6.877 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.239 18.596 5.764 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.536 18.235 7.898 1.00 0.00 O ATOM 0 H GLU A 18 -2.543 14.534 5.059 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.360 15.765 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.077 15.771 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.711 16.744 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.264 18.587 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.829 17.604 8.059 1.00 0.00 H new ATOM 249 N TYR A 19 -4.838 16.894 4.921 1.00 0.00 N ATOM 250 CA TYR A 19 -5.908 17.822 4.431 1.00 0.00 C ATOM 251 C TYR A 19 -7.364 17.410 4.644 1.00 0.00 C ATOM 252 O TYR A 19 -8.165 18.233 5.031 1.00 0.00 O ATOM 253 CB TYR A 19 -5.736 18.052 2.923 1.00 0.00 C ATOM 254 CG TYR A 19 -4.740 19.167 2.612 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.603 19.394 3.364 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.004 19.982 1.531 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.750 20.423 3.027 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.159 21.008 1.195 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.020 21.239 1.943 1.00 0.00 C ATOM 260 OH TYR A 19 -2.172 22.273 1.610 1.00 0.00 O ATOM 0 H TYR A 19 -4.562 16.177 4.250 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.756 18.707 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.400 17.127 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.702 18.299 2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.383 18.766 4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.891 19.809 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.861 20.594 3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.383 21.636 0.345 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.519 22.739 0.821 1.00 0.00 H new ATOM 270 N ARG A 20 -7.663 16.170 4.374 1.00 0.00 N ATOM 271 CA ARG A 20 -9.043 15.618 4.516 1.00 0.00 C ATOM 272 C ARG A 20 -9.891 16.345 5.579 1.00 0.00 C ATOM 273 O ARG A 20 -10.803 17.041 5.187 1.00 0.00 O ATOM 274 CB ARG A 20 -8.906 14.089 4.812 1.00 0.00 C ATOM 275 CG ARG A 20 -10.314 13.443 4.819 1.00 0.00 C ATOM 276 CD ARG A 20 -10.202 11.933 5.104 1.00 0.00 C ATOM 277 NE ARG A 20 -10.461 11.699 6.557 1.00 0.00 N ATOM 278 CZ ARG A 20 -11.467 10.942 6.905 1.00 0.00 C ATOM 279 NH1 ARG A 20 -12.655 11.230 6.450 1.00 0.00 N ATOM 280 NH2 ARG A 20 -11.255 9.926 7.694 1.00 0.00 N ATOM 0 H ARG A 20 -6.979 15.488 4.047 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.590 15.780 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.279 13.615 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.417 13.935 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.937 13.919 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.802 13.604 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.920 11.380 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.210 11.570 4.834 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.862 12.123 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.785 12.033 5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.454 10.652 6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.313 9.730 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.032 9.327 7.974 1.00 0.00 H new ATOM 294 N PRO A 21 -9.605 16.226 6.856 1.00 0.00 N ATOM 295 CA PRO A 21 -10.506 16.722 7.941 1.00 0.00 C ATOM 296 C PRO A 21 -10.543 18.260 8.029 1.00 0.00 C ATOM 297 O PRO A 21 -11.348 18.832 8.737 1.00 0.00 O ATOM 298 CB PRO A 21 -9.935 16.075 9.181 1.00 0.00 C ATOM 299 CG PRO A 21 -8.415 16.145 8.885 1.00 0.00 C ATOM 300 CD PRO A 21 -8.373 15.617 7.447 1.00 0.00 C ATOM 0 HA PRO A 21 -11.551 16.462 7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.203 16.617 10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.283 15.050 9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.026 17.160 8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.833 15.527 9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.471 15.932 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.399 14.528 7.411 1.00 0.00 H new ATOM 308 N LYS A 22 -9.655 18.859 7.287 1.00 0.00 N ATOM 309 CA LYS A 22 -9.511 20.338 7.229 1.00 0.00 C ATOM 310 C LYS A 22 -10.281 20.926 6.039 1.00 0.00 C ATOM 311 O LYS A 22 -10.790 22.025 6.143 1.00 0.00 O ATOM 312 CB LYS A 22 -7.995 20.615 7.146 1.00 0.00 C ATOM 313 CG LYS A 22 -7.677 22.122 7.219 1.00 0.00 C ATOM 314 CD LYS A 22 -6.137 22.341 7.261 1.00 0.00 C ATOM 315 CE LYS A 22 -5.536 21.825 8.594 1.00 0.00 C ATOM 316 NZ LYS A 22 -4.053 21.991 8.591 1.00 0.00 N ATOM 0 H LYS A 22 -8.994 18.359 6.692 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.938 20.819 8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.487 20.098 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.603 20.207 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.102 22.634 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.138 22.557 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.670 21.823 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.914 23.402 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.968 22.372 9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.791 20.774 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.663 21.642 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.645 21.450 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.817 22.998 8.479 1.00 0.00 H new ATOM 330 N ILE A 23 -10.372 20.198 4.950 1.00 0.00 N ATOM 331 CA ILE A 23 -11.108 20.743 3.773 1.00 0.00 C ATOM 332 C ILE A 23 -12.546 20.371 4.057 1.00 0.00 C ATOM 333 O ILE A 23 -13.460 21.142 3.876 1.00 0.00 O ATOM 334 CB ILE A 23 -10.723 20.065 2.438 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.197 20.008 2.230 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.330 20.947 1.310 1.00 0.00 C ATOM 337 CD1 ILE A 23 -8.930 19.163 0.966 1.00 0.00 C ATOM 0 H ILE A 23 -9.975 19.266 4.829 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.897 21.806 3.658 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.094 19.040 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.789 21.012 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.708 19.564 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.088 20.514 0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.413 20.993 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.915 21.953 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.856 19.102 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.332 18.160 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.413 19.630 0.108 1.00 0.00 H new ATOM 349 N LYS A 24 -12.661 19.157 4.512 1.00 0.00 N ATOM 350 CA LYS A 24 -13.955 18.541 4.873 1.00 0.00 C ATOM 351 C LYS A 24 -14.497 19.230 6.132 1.00 0.00 C ATOM 352 O LYS A 24 -15.694 19.306 6.331 1.00 0.00 O ATOM 353 CB LYS A 24 -13.654 17.074 5.086 1.00 0.00 C ATOM 354 CG LYS A 24 -14.965 16.242 5.125 1.00 0.00 C ATOM 355 CD LYS A 24 -15.229 15.613 6.512 1.00 0.00 C ATOM 356 CE LYS A 24 -14.142 14.568 6.847 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.531 13.817 8.073 1.00 0.00 N ATOM 0 H LYS A 24 -11.862 18.539 4.653 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.724 18.652 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.011 16.710 4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.106 16.942 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.805 16.882 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.912 15.452 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.241 16.392 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.211 15.141 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.016 13.879 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.183 15.063 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.798 13.114 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.630 14.479 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.437 13.333 7.911 1.00 0.00 H new ATOM 371 N GLY A 25 -13.582 19.710 6.941 1.00 0.00 N ATOM 372 CA GLY A 25 -13.962 20.409 8.205 1.00 0.00 C ATOM 373 C GLY A 25 -14.667 21.721 7.860 1.00 0.00 C ATOM 374 O GLY A 25 -15.665 22.079 8.456 1.00 0.00 O ATOM 0 H GLY A 25 -12.578 19.645 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.618 19.776 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.075 20.606 8.807 1.00 0.00 H new ATOM 378 N GLU A 26 -14.103 22.389 6.890 1.00 0.00 N ATOM 379 CA GLU A 26 -14.645 23.690 6.405 1.00 0.00 C ATOM 380 C GLU A 26 -15.874 23.475 5.514 1.00 0.00 C ATOM 381 O GLU A 26 -16.865 24.166 5.636 1.00 0.00 O ATOM 382 CB GLU A 26 -13.544 24.397 5.607 1.00 0.00 C ATOM 383 CG GLU A 26 -12.310 24.662 6.494 1.00 0.00 C ATOM 384 CD GLU A 26 -12.544 25.866 7.425 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.315 25.708 8.361 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.936 26.887 7.148 1.00 0.00 O ATOM 0 H GLU A 26 -13.265 22.077 6.400 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.953 24.296 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.258 23.785 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.923 25.340 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.089 23.776 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.440 24.849 5.865 1.00 0.00 H new ATOM 393 N HIS A 27 -15.738 22.511 4.643 1.00 0.00 N ATOM 394 CA HIS A 27 -16.801 22.129 3.673 1.00 0.00 C ATOM 395 C HIS A 27 -17.186 20.652 3.850 1.00 0.00 C ATOM 396 O HIS A 27 -16.780 19.804 3.078 1.00 0.00 O ATOM 397 CB HIS A 27 -16.269 22.376 2.244 1.00 0.00 C ATOM 398 CG HIS A 27 -15.537 23.724 2.211 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.097 24.883 2.307 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.185 24.000 2.096 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.194 25.806 2.253 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.989 25.302 2.123 1.00 0.00 N ATOM 0 H HIS A 27 -14.891 21.948 4.564 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.693 22.731 3.848 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.593 21.573 1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.093 22.377 1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.407 23.258 1.999 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.405 26.864 2.308 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.103 25.804 2.058 1.00 0.00 H new ATOM 410 N PRO A 28 -17.966 20.375 4.868 1.00 0.00 N ATOM 411 CA PRO A 28 -18.690 19.083 5.006 1.00 0.00 C ATOM 412 C PRO A 28 -19.945 19.171 4.113 1.00 0.00 C ATOM 413 O PRO A 28 -21.061 18.926 4.537 1.00 0.00 O ATOM 414 CB PRO A 28 -18.960 19.010 6.501 1.00 0.00 C ATOM 415 CG PRO A 28 -19.271 20.494 6.838 1.00 0.00 C ATOM 416 CD PRO A 28 -18.227 21.287 6.011 1.00 0.00 C ATOM 0 HA PRO A 28 -18.171 18.180 4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.798 18.353 6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.099 18.636 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.290 20.763 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.170 20.692 7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.617 22.250 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.322 21.488 6.585 1.00 0.00 H new ATOM 424 N GLY A 29 -19.673 19.531 2.886 1.00 0.00 N ATOM 425 CA GLY A 29 -20.695 19.694 1.821 1.00 0.00 C ATOM 426 C GLY A 29 -20.349 18.780 0.648 1.00 0.00 C ATOM 427 O GLY A 29 -21.237 18.315 -0.042 1.00 0.00 O ATOM 0 H GLY A 29 -18.724 19.729 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.684 19.449 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.730 20.732 1.490 1.00 0.00 H new ATOM 431 N LEU A 30 -19.070 18.544 0.455 1.00 0.00 N ATOM 432 CA LEU A 30 -18.624 17.671 -0.656 1.00 0.00 C ATOM 433 C LEU A 30 -18.498 16.227 -0.148 1.00 0.00 C ATOM 434 O LEU A 30 -18.832 15.923 0.980 1.00 0.00 O ATOM 435 CB LEU A 30 -17.239 18.145 -1.211 1.00 0.00 C ATOM 436 CG LEU A 30 -16.598 19.389 -0.540 1.00 0.00 C ATOM 437 CD1 LEU A 30 -15.182 19.544 -1.145 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.384 20.665 -0.897 1.00 0.00 C ATOM 0 H LEU A 30 -18.319 18.926 1.029 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.360 17.724 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.538 17.315 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.355 18.356 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.590 19.259 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.690 20.410 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.597 18.648 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.260 19.684 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.918 21.526 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.378 20.805 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.413 20.568 -0.549 1.00 0.00 H new ATOM 450 N SER A 31 -18.010 15.388 -1.020 1.00 0.00 N ATOM 451 CA SER A 31 -17.814 13.941 -0.724 1.00 0.00 C ATOM 452 C SER A 31 -16.319 13.625 -0.718 1.00 0.00 C ATOM 453 O SER A 31 -15.498 14.463 -1.029 1.00 0.00 O ATOM 454 CB SER A 31 -18.515 13.120 -1.819 1.00 0.00 C ATOM 455 OG SER A 31 -18.428 11.773 -1.381 1.00 0.00 O ATOM 0 H SER A 31 -17.728 15.659 -1.962 1.00 0.00 H new ATOM 0 HA SER A 31 -18.234 13.693 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.553 13.429 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.028 13.253 -2.785 1.00 0.00 H new ATOM 0 HG SER A 31 -18.861 11.187 -2.037 1.00 0.00 H new ATOM 461 N ILE A 32 -16.005 12.406 -0.369 1.00 0.00 N ATOM 462 CA ILE A 32 -14.581 11.955 -0.327 1.00 0.00 C ATOM 463 C ILE A 32 -14.076 11.835 -1.790 1.00 0.00 C ATOM 464 O ILE A 32 -12.939 11.511 -2.065 1.00 0.00 O ATOM 465 CB ILE A 32 -14.592 10.612 0.430 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.283 10.327 1.201 1.00 0.00 C ATOM 467 CG2 ILE A 32 -14.968 9.422 -0.491 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.013 10.340 0.336 1.00 0.00 C ATOM 0 H ILE A 32 -16.685 11.692 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.906 12.642 0.183 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.376 10.715 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.175 11.068 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.367 9.354 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.962 8.498 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.963 9.584 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.244 9.347 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.145 10.131 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.094 9.579 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.898 11.320 -0.127 1.00 0.00 H new ATOM 480 N GLY A 33 -14.978 12.109 -2.688 1.00 0.00 N ATOM 481 CA GLY A 33 -14.690 12.062 -4.152 1.00 0.00 C ATOM 482 C GLY A 33 -14.516 13.493 -4.678 1.00 0.00 C ATOM 483 O GLY A 33 -14.061 13.686 -5.787 1.00 0.00 O ATOM 0 H GLY A 33 -15.937 12.373 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.787 11.481 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.504 11.564 -4.679 1.00 0.00 H new ATOM 487 N ASP A 34 -14.872 14.456 -3.861 1.00 0.00 N ATOM 488 CA ASP A 34 -14.771 15.899 -4.213 1.00 0.00 C ATOM 489 C ASP A 34 -13.531 16.445 -3.516 1.00 0.00 C ATOM 490 O ASP A 34 -12.747 17.161 -4.096 1.00 0.00 O ATOM 491 CB ASP A 34 -16.047 16.581 -3.720 1.00 0.00 C ATOM 492 CG ASP A 34 -17.253 16.132 -4.564 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.234 16.426 -5.749 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.129 15.516 -3.978 1.00 0.00 O ATOM 0 H ASP A 34 -15.243 14.287 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.677 16.073 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.217 16.336 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.935 17.664 -3.780 1.00 0.00 H new ATOM 499 N VAL A 35 -13.392 16.073 -2.279 1.00 0.00 N ATOM 500 CA VAL A 35 -12.243 16.494 -1.424 1.00 0.00 C ATOM 501 C VAL A 35 -10.967 15.870 -2.004 1.00 0.00 C ATOM 502 O VAL A 35 -9.879 16.386 -1.841 1.00 0.00 O ATOM 503 CB VAL A 35 -12.557 15.986 0.005 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.386 16.226 0.966 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.785 16.732 0.584 1.00 0.00 C ATOM 0 H VAL A 35 -14.058 15.466 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.094 17.573 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.749 14.917 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.647 15.855 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.503 15.700 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.174 17.294 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.994 16.364 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.575 17.801 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.651 16.556 -0.054 1.00 0.00 H new ATOM 515 N ALA A 36 -11.182 14.775 -2.680 1.00 0.00 N ATOM 516 CA ALA A 36 -10.095 14.001 -3.319 1.00 0.00 C ATOM 517 C ALA A 36 -9.887 14.530 -4.724 1.00 0.00 C ATOM 518 O ALA A 36 -8.768 14.669 -5.161 1.00 0.00 O ATOM 519 CB ALA A 36 -10.512 12.549 -3.344 1.00 0.00 C ATOM 0 H ALA A 36 -12.110 14.374 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.158 14.096 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.728 11.953 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.675 12.200 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.435 12.445 -3.915 1.00 0.00 H new ATOM 525 N LYS A 37 -10.970 14.809 -5.399 1.00 0.00 N ATOM 526 CA LYS A 37 -10.860 15.342 -6.780 1.00 0.00 C ATOM 527 C LYS A 37 -10.222 16.741 -6.783 1.00 0.00 C ATOM 528 O LYS A 37 -9.416 17.048 -7.637 1.00 0.00 O ATOM 529 CB LYS A 37 -12.283 15.364 -7.371 1.00 0.00 C ATOM 530 CG LYS A 37 -12.403 16.306 -8.578 1.00 0.00 C ATOM 531 CD LYS A 37 -13.814 16.154 -9.176 1.00 0.00 C ATOM 532 CE LYS A 37 -14.139 17.379 -10.043 1.00 0.00 C ATOM 533 NZ LYS A 37 -15.500 17.234 -10.629 1.00 0.00 N ATOM 0 H LYS A 37 -11.922 14.690 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.210 14.712 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.564 14.355 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.989 15.674 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.230 17.338 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.647 16.064 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.870 15.246 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.550 16.055 -8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.087 18.286 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.400 17.480 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.716 18.065 -11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.535 16.377 -11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.201 17.158 -9.864 1.00 0.00 H new ATOM 547 N LYS A 38 -10.582 17.548 -5.822 1.00 0.00 N ATOM 548 CA LYS A 38 -10.039 18.923 -5.739 1.00 0.00 C ATOM 549 C LYS A 38 -8.576 18.892 -5.312 1.00 0.00 C ATOM 550 O LYS A 38 -7.734 19.440 -5.991 1.00 0.00 O ATOM 551 CB LYS A 38 -10.869 19.735 -4.713 1.00 0.00 C ATOM 552 CG LYS A 38 -10.926 21.216 -5.143 1.00 0.00 C ATOM 553 CD LYS A 38 -11.977 21.356 -6.278 1.00 0.00 C ATOM 554 CE LYS A 38 -11.976 22.786 -6.833 1.00 0.00 C ATOM 555 NZ LYS A 38 -10.693 23.064 -7.538 1.00 0.00 N ATOM 0 H LYS A 38 -11.240 17.303 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.103 19.393 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.878 19.328 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.422 19.651 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.196 21.847 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.947 21.549 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.755 20.649 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.968 21.107 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.812 22.918 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.115 23.499 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.805 23.901 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.944 23.242 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.433 22.244 -8.123 1.00 0.00 H new ATOM 569 N LEU A 39 -8.287 18.244 -4.214 1.00 0.00 N ATOM 570 CA LEU A 39 -6.871 18.199 -3.765 1.00 0.00 C ATOM 571 C LEU A 39 -6.021 17.303 -4.681 1.00 0.00 C ATOM 572 O LEU A 39 -4.842 17.551 -4.824 1.00 0.00 O ATOM 573 CB LEU A 39 -6.974 17.786 -2.264 1.00 0.00 C ATOM 574 CG LEU A 39 -6.440 16.428 -1.884 1.00 0.00 C ATOM 575 CD1 LEU A 39 -4.911 16.532 -1.753 1.00 0.00 C ATOM 576 CD2 LEU A 39 -6.998 16.026 -0.494 1.00 0.00 C ATOM 0 H LEU A 39 -8.957 17.754 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.332 19.144 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.447 18.534 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.024 17.830 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.729 15.696 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.502 15.560 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.485 16.849 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.661 17.262 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.613 15.044 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.687 16.760 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.087 15.990 -0.535 1.00 0.00 H new ATOM 588 N GLY A 40 -6.598 16.306 -5.300 1.00 0.00 N ATOM 589 CA GLY A 40 -5.781 15.432 -6.206 1.00 0.00 C ATOM 590 C GLY A 40 -5.265 16.317 -7.345 1.00 0.00 C ATOM 591 O GLY A 40 -4.177 16.134 -7.851 1.00 0.00 O ATOM 0 H GLY A 40 -7.584 16.058 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.951 14.983 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.385 14.613 -6.598 1.00 0.00 H new ATOM 595 N GLU A 41 -6.072 17.272 -7.725 1.00 0.00 N ATOM 596 CA GLU A 41 -5.659 18.193 -8.815 1.00 0.00 C ATOM 597 C GLU A 41 -4.531 19.042 -8.234 1.00 0.00 C ATOM 598 O GLU A 41 -3.480 19.150 -8.832 1.00 0.00 O ATOM 599 CB GLU A 41 -6.807 19.092 -9.207 1.00 0.00 C ATOM 600 CG GLU A 41 -7.925 18.263 -9.872 1.00 0.00 C ATOM 601 CD GLU A 41 -9.301 18.979 -9.848 1.00 0.00 C ATOM 602 OE1 GLU A 41 -9.393 20.091 -9.345 1.00 0.00 O ATOM 603 OE2 GLU A 41 -10.213 18.343 -10.351 1.00 0.00 O ATOM 0 H GLU A 41 -6.994 17.451 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.348 17.641 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.197 19.602 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.458 19.863 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.649 18.052 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.011 17.303 -9.362 1.00 0.00 H new ATOM 610 N MET A 42 -4.780 19.620 -7.075 1.00 0.00 N ATOM 611 CA MET A 42 -3.743 20.477 -6.410 1.00 0.00 C ATOM 612 C MET A 42 -2.388 19.785 -6.515 1.00 0.00 C ATOM 613 O MET A 42 -1.426 20.352 -6.987 1.00 0.00 O ATOM 614 CB MET A 42 -4.096 20.663 -4.956 1.00 0.00 C ATOM 615 CG MET A 42 -5.413 21.456 -4.824 1.00 0.00 C ATOM 616 SD MET A 42 -5.402 23.211 -5.280 1.00 0.00 S ATOM 617 CE MET A 42 -6.980 23.263 -6.168 1.00 0.00 C ATOM 0 H MET A 42 -5.658 19.533 -6.563 1.00 0.00 H new ATOM 0 HA MET A 42 -3.703 21.451 -6.899 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.198 19.692 -4.472 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.292 21.192 -4.444 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.165 20.957 -5.435 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.744 21.383 -3.788 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.159 24.274 -6.533 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.946 22.573 -7.011 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.786 22.973 -5.494 1.00 0.00 H new ATOM 627 N TRP A 43 -2.391 18.566 -6.047 1.00 0.00 N ATOM 628 CA TRP A 43 -1.206 17.684 -6.050 1.00 0.00 C ATOM 629 C TRP A 43 -0.482 17.768 -7.373 1.00 0.00 C ATOM 630 O TRP A 43 0.686 18.104 -7.399 1.00 0.00 O ATOM 631 CB TRP A 43 -1.661 16.254 -5.811 1.00 0.00 C ATOM 632 CG TRP A 43 -0.472 15.316 -5.951 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.339 14.420 -6.946 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.576 15.218 -5.114 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.798 13.827 -6.651 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.437 14.228 -5.561 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.854 15.918 -3.948 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.585 13.935 -4.828 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.992 15.628 -3.215 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.863 14.634 -3.655 1.00 0.00 C ATOM 0 H TRP A 43 -3.220 18.131 -5.642 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.522 18.001 -5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.097 16.161 -4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.438 15.983 -6.526 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.001 14.234 -7.779 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.175 13.085 -7.240 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.180 16.692 -3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.261 13.165 -5.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.204 16.170 -2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.753 14.405 -3.088 1.00 0.00 H new ATOM 651 N ASN A 44 -1.214 17.481 -8.428 1.00 0.00 N ATOM 652 CA ASN A 44 -0.557 17.528 -9.771 1.00 0.00 C ATOM 653 C ASN A 44 0.206 18.849 -9.965 1.00 0.00 C ATOM 654 O ASN A 44 1.262 18.852 -10.566 1.00 0.00 O ATOM 655 CB ASN A 44 -1.625 17.310 -10.926 1.00 0.00 C ATOM 656 CG ASN A 44 -2.465 18.521 -11.360 1.00 0.00 C ATOM 657 OD1 ASN A 44 -1.963 19.573 -11.701 1.00 0.00 O ATOM 658 ND2 ASN A 44 -3.765 18.391 -11.375 1.00 0.00 N ATOM 0 H ASN A 44 -2.201 17.226 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 44 0.168 16.715 -9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.098 16.936 -11.804 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.310 16.524 -10.606 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.352 19.170 -11.672 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.193 17.510 -11.090 1.00 0.00 H new ATOM 665 N ASN A 45 -0.364 19.909 -9.446 1.00 0.00 N ATOM 666 CA ASN A 45 0.265 21.267 -9.546 1.00 0.00 C ATOM 667 C ASN A 45 0.643 21.873 -8.158 1.00 0.00 C ATOM 668 O ASN A 45 0.437 23.052 -7.935 1.00 0.00 O ATOM 669 CB ASN A 45 -0.741 22.183 -10.287 1.00 0.00 C ATOM 670 CG ASN A 45 -2.065 22.214 -9.498 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.164 22.822 -8.450 1.00 0.00 O ATOM 672 ND2 ASN A 45 -3.103 21.574 -9.953 1.00 0.00 N ATOM 0 H ASN A 45 -1.254 19.892 -8.948 1.00 0.00 H new ATOM 0 HA ASN A 45 1.206 21.183 -10.090 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.335 23.190 -10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.913 21.813 -11.298 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.980 21.588 -9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.040 21.058 -10.831 1.00 0.00 H new ATOM 679 N THR A 46 1.194 21.079 -7.258 1.00 0.00 N ATOM 680 CA THR A 46 1.568 21.644 -5.910 1.00 0.00 C ATOM 681 C THR A 46 2.810 22.526 -6.079 1.00 0.00 C ATOM 682 O THR A 46 2.866 23.638 -5.591 1.00 0.00 O ATOM 683 CB THR A 46 1.861 20.470 -4.871 1.00 0.00 C ATOM 684 OG1 THR A 46 2.227 21.149 -3.673 1.00 0.00 O ATOM 685 CG2 THR A 46 3.083 19.554 -5.167 1.00 0.00 C ATOM 0 H THR A 46 1.397 20.088 -7.392 1.00 0.00 H new ATOM 0 HA THR A 46 0.741 22.237 -5.520 1.00 0.00 H new ATOM 0 HB THR A 46 0.979 19.829 -4.870 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.425 20.493 -2.972 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.170 18.799 -4.385 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.946 19.064 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.991 20.156 -5.192 1.00 0.00 H new ATOM 693 N ALA A 47 3.758 21.970 -6.778 1.00 0.00 N ATOM 694 CA ALA A 47 5.053 22.637 -7.078 1.00 0.00 C ATOM 695 C ALA A 47 5.835 21.671 -7.966 1.00 0.00 C ATOM 696 O ALA A 47 6.336 22.051 -9.005 1.00 0.00 O ATOM 697 CB ALA A 47 5.862 22.900 -5.778 1.00 0.00 C ATOM 0 H ALA A 47 3.681 21.032 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 47 4.882 23.599 -7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.804 23.388 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.285 23.543 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.066 21.953 -5.278 1.00 0.00 H new ATOM 703 N ALA A 48 5.882 20.455 -7.472 1.00 0.00 N ATOM 704 CA ALA A 48 6.577 19.268 -8.088 1.00 0.00 C ATOM 705 C ALA A 48 7.892 19.145 -7.304 1.00 0.00 C ATOM 706 O ALA A 48 8.521 18.104 -7.261 1.00 0.00 O ATOM 707 CB ALA A 48 6.945 19.451 -9.587 1.00 0.00 C ATOM 0 H ALA A 48 5.426 20.220 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 48 5.915 18.403 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.441 18.552 -9.952 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.038 19.625 -10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.614 20.304 -9.696 1.00 0.00 H new ATOM 713 N ASP A 49 8.241 20.260 -6.704 1.00 0.00 N ATOM 714 CA ASP A 49 9.468 20.404 -5.887 1.00 0.00 C ATOM 715 C ASP A 49 9.039 20.315 -4.405 1.00 0.00 C ATOM 716 O ASP A 49 9.869 20.294 -3.516 1.00 0.00 O ATOM 717 CB ASP A 49 10.082 21.772 -6.228 1.00 0.00 C ATOM 718 CG ASP A 49 11.618 21.685 -6.247 1.00 0.00 C ATOM 719 OD1 ASP A 49 12.166 21.357 -5.206 1.00 0.00 O ATOM 720 OD2 ASP A 49 12.155 21.950 -7.313 1.00 0.00 O ATOM 0 H ASP A 49 7.687 21.115 -6.758 1.00 0.00 H new ATOM 0 HA ASP A 49 10.211 19.631 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.719 22.108 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.763 22.513 -5.495 1.00 0.00 H new ATOM 725 N ASP A 50 7.742 20.265 -4.216 1.00 0.00 N ATOM 726 CA ASP A 50 7.108 20.175 -2.863 1.00 0.00 C ATOM 727 C ASP A 50 6.482 18.769 -2.753 1.00 0.00 C ATOM 728 O ASP A 50 5.965 18.385 -1.721 1.00 0.00 O ATOM 729 CB ASP A 50 6.045 21.293 -2.766 1.00 0.00 C ATOM 730 CG ASP A 50 5.457 21.404 -1.346 1.00 0.00 C ATOM 731 OD1 ASP A 50 4.601 20.594 -1.029 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.906 22.303 -0.651 1.00 0.00 O ATOM 0 H ASP A 50 7.068 20.284 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 50 7.818 20.310 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.493 22.246 -3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.243 21.094 -3.477 1.00 0.00 H new ATOM 737 N LYS A 51 6.556 18.027 -3.833 1.00 0.00 N ATOM 738 CA LYS A 51 5.998 16.643 -3.862 1.00 0.00 C ATOM 739 C LYS A 51 7.134 15.813 -3.313 1.00 0.00 C ATOM 740 O LYS A 51 6.912 14.991 -2.455 1.00 0.00 O ATOM 741 CB LYS A 51 5.727 16.110 -5.269 1.00 0.00 C ATOM 742 CG LYS A 51 4.531 16.766 -5.944 1.00 0.00 C ATOM 743 CD LYS A 51 4.314 16.010 -7.271 1.00 0.00 C ATOM 744 CE LYS A 51 3.101 16.561 -8.009 1.00 0.00 C ATOM 745 NZ LYS A 51 2.942 15.852 -9.310 1.00 0.00 N ATOM 0 H LYS A 51 6.986 18.329 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 51 5.050 16.614 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.613 16.265 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.560 15.034 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.645 16.704 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.719 17.824 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.201 16.103 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.174 14.948 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.205 16.433 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.221 17.631 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.314 16.402 -9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.872 15.747 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.529 14.912 -9.145 1.00 0.00 H new ATOM 759 N GLN A 52 8.305 16.061 -3.853 1.00 0.00 N ATOM 760 CA GLN A 52 9.561 15.356 -3.459 1.00 0.00 C ATOM 761 C GLN A 52 9.526 14.770 -2.024 1.00 0.00 C ATOM 762 O GLN A 52 9.696 13.581 -1.898 1.00 0.00 O ATOM 763 CB GLN A 52 10.737 16.376 -3.627 1.00 0.00 C ATOM 764 CG GLN A 52 11.967 15.675 -4.259 1.00 0.00 C ATOM 765 CD GLN A 52 11.693 15.215 -5.710 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.533 15.431 -6.273 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.553 14.642 -6.349 1.00 0.00 N flip ATOM 0 H GLN A 52 8.442 16.758 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 52 9.692 14.488 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.420 17.207 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.006 16.795 -2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.817 16.357 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.244 14.813 -3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.466 14.463 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.362 14.340 -7.305 1.00 0.00 H new ATOM 776 N PRO A 53 9.307 15.558 -0.989 1.00 0.00 N ATOM 777 CA PRO A 53 9.151 15.058 0.411 1.00 0.00 C ATOM 778 C PRO A 53 8.194 13.868 0.592 1.00 0.00 C ATOM 779 O PRO A 53 8.520 12.887 1.234 1.00 0.00 O ATOM 780 CB PRO A 53 8.706 16.292 1.203 1.00 0.00 C ATOM 781 CG PRO A 53 8.142 17.233 0.115 1.00 0.00 C ATOM 782 CD PRO A 53 9.150 17.041 -1.022 1.00 0.00 C ATOM 0 HA PRO A 53 10.091 14.632 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.951 16.040 1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.540 16.749 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.132 16.953 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.099 18.269 0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.770 17.398 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.089 17.563 -0.838 1.00 0.00 H new ATOM 790 N TYR A 54 7.036 14.014 0.003 1.00 0.00 N ATOM 791 CA TYR A 54 5.980 12.951 0.085 1.00 0.00 C ATOM 792 C TYR A 54 6.302 11.821 -0.887 1.00 0.00 C ATOM 793 O TYR A 54 6.236 10.657 -0.545 1.00 0.00 O ATOM 794 CB TYR A 54 4.612 13.544 -0.280 1.00 0.00 C ATOM 795 CG TYR A 54 4.207 14.661 0.695 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.064 14.414 2.048 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.974 15.937 0.222 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.693 15.428 2.908 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.605 16.951 1.082 1.00 0.00 C ATOM 800 CZ TYR A 54 3.460 16.702 2.433 1.00 0.00 C ATOM 801 OH TYR A 54 3.092 17.711 3.301 1.00 0.00 O ATOM 0 H TYR A 54 6.770 14.835 -0.540 1.00 0.00 H new ATOM 0 HA TYR A 54 5.954 12.564 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.644 13.939 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.858 12.757 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.244 13.422 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.082 16.144 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.584 15.222 3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.429 17.944 0.697 1.00 0.00 H new ATOM 0 HH TYR A 54 2.969 18.544 2.800 1.00 0.00 H new ATOM 811 N GLU A 55 6.634 12.191 -2.093 1.00 0.00 N ATOM 812 CA GLU A 55 6.978 11.176 -3.130 1.00 0.00 C ATOM 813 C GLU A 55 8.090 10.246 -2.596 1.00 0.00 C ATOM 814 O GLU A 55 7.991 9.035 -2.648 1.00 0.00 O ATOM 815 CB GLU A 55 7.421 11.949 -4.391 1.00 0.00 C ATOM 816 CG GLU A 55 6.419 11.664 -5.532 1.00 0.00 C ATOM 817 CD GLU A 55 6.851 12.423 -6.801 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.910 12.088 -7.308 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.096 13.300 -7.190 1.00 0.00 O ATOM 0 H GLU A 55 6.682 13.160 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 55 6.127 10.541 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.461 13.018 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.425 11.644 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.376 10.594 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.417 11.973 -5.235 1.00 0.00 H new ATOM 826 N LYS A 56 9.129 10.849 -2.086 1.00 0.00 N ATOM 827 CA LYS A 56 10.287 10.095 -1.520 1.00 0.00 C ATOM 828 C LYS A 56 9.761 9.178 -0.391 1.00 0.00 C ATOM 829 O LYS A 56 10.300 8.118 -0.137 1.00 0.00 O ATOM 830 CB LYS A 56 11.308 11.104 -0.961 1.00 0.00 C ATOM 831 CG LYS A 56 12.637 10.378 -0.624 1.00 0.00 C ATOM 832 CD LYS A 56 13.700 11.350 -0.033 1.00 0.00 C ATOM 833 CE LYS A 56 13.479 11.596 1.479 1.00 0.00 C ATOM 834 NZ LYS A 56 12.256 12.407 1.742 1.00 0.00 N ATOM 0 H LYS A 56 9.227 11.863 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 56 10.772 9.488 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.489 11.893 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.908 11.582 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.442 9.577 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.034 9.912 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.697 10.938 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.659 12.300 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.396 10.639 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.348 12.107 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.369 12.926 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.114 13.083 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.430 11.778 1.809 1.00 0.00 H new ATOM 848 N LYS A 57 8.706 9.621 0.255 1.00 0.00 N ATOM 849 CA LYS A 57 8.119 8.815 1.370 1.00 0.00 C ATOM 850 C LYS A 57 7.581 7.544 0.712 1.00 0.00 C ATOM 851 O LYS A 57 7.945 6.460 1.119 1.00 0.00 O ATOM 852 CB LYS A 57 6.968 9.602 2.048 1.00 0.00 C ATOM 853 CG LYS A 57 6.768 9.104 3.507 1.00 0.00 C ATOM 854 CD LYS A 57 7.619 9.935 4.516 1.00 0.00 C ATOM 855 CE LYS A 57 9.129 9.917 4.187 1.00 0.00 C ATOM 856 NZ LYS A 57 9.877 10.691 5.219 1.00 0.00 N ATOM 0 H LYS A 57 8.230 10.501 0.058 1.00 0.00 H new ATOM 0 HA LYS A 57 8.854 8.590 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.196 10.668 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.046 9.473 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.714 9.173 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.046 8.052 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.265 10.966 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.467 9.543 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.492 8.890 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.301 10.347 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.892 10.677 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.538 11.674 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.723 10.262 6.154 1.00 0.00 H new ATOM 870 N ALA A 58 6.733 7.719 -0.279 1.00 0.00 N ATOM 871 CA ALA A 58 6.141 6.554 -1.022 1.00 0.00 C ATOM 872 C ALA A 58 7.223 5.468 -1.186 1.00 0.00 C ATOM 873 O ALA A 58 6.996 4.317 -0.884 1.00 0.00 O ATOM 874 CB ALA A 58 5.653 7.005 -2.409 1.00 0.00 C ATOM 0 H ALA A 58 6.422 8.633 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 58 5.294 6.158 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.226 6.154 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.894 7.779 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.493 7.403 -2.979 1.00 0.00 H new ATOM 880 N ALA A 59 8.377 5.877 -1.667 1.00 0.00 N ATOM 881 CA ALA A 59 9.516 4.918 -1.864 1.00 0.00 C ATOM 882 C ALA A 59 9.799 4.173 -0.535 1.00 0.00 C ATOM 883 O ALA A 59 9.733 2.965 -0.483 1.00 0.00 O ATOM 884 CB ALA A 59 10.769 5.698 -2.308 1.00 0.00 C ATOM 0 H ALA A 59 8.580 6.841 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 59 9.256 4.190 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.597 5.004 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.562 6.216 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.035 6.426 -1.542 1.00 0.00 H new ATOM 890 N LYS A 60 10.110 4.924 0.494 1.00 0.00 N ATOM 891 CA LYS A 60 10.407 4.372 1.862 1.00 0.00 C ATOM 892 C LYS A 60 9.360 3.307 2.264 1.00 0.00 C ATOM 893 O LYS A 60 9.655 2.346 2.949 1.00 0.00 O ATOM 894 CB LYS A 60 10.415 5.565 2.856 1.00 0.00 C ATOM 895 CG LYS A 60 10.905 5.117 4.249 1.00 0.00 C ATOM 896 CD LYS A 60 10.995 6.366 5.163 1.00 0.00 C ATOM 897 CE LYS A 60 11.494 5.966 6.565 1.00 0.00 C ATOM 898 NZ LYS A 60 10.516 5.059 7.227 1.00 0.00 N ATOM 0 H LYS A 60 10.173 5.941 0.442 1.00 0.00 H new ATOM 0 HA LYS A 60 11.377 3.874 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.061 6.356 2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.412 5.984 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.219 4.385 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.879 4.634 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.672 7.099 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.017 6.841 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.462 5.471 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.641 6.858 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.739 4.988 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.555 5.439 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.570 4.115 6.794 1.00 0.00 H new ATOM 912 N LEU A 61 8.149 3.522 1.815 1.00 0.00 N ATOM 913 CA LEU A 61 7.036 2.571 2.123 1.00 0.00 C ATOM 914 C LEU A 61 7.150 1.380 1.164 1.00 0.00 C ATOM 915 O LEU A 61 7.105 0.260 1.628 1.00 0.00 O ATOM 916 CB LEU A 61 5.713 3.348 1.970 1.00 0.00 C ATOM 917 CG LEU A 61 5.769 4.581 2.932 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.517 5.430 2.738 1.00 0.00 C ATOM 919 CD2 LEU A 61 5.859 4.118 4.415 1.00 0.00 C ATOM 0 H LEU A 61 7.881 4.323 1.243 1.00 0.00 H new ATOM 0 HA LEU A 61 7.079 2.175 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.578 3.674 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.864 2.710 2.216 1.00 0.00 H new ATOM 0 HG LEU A 61 6.657 5.169 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.553 6.290 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.468 5.775 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.634 4.832 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.897 4.991 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.983 3.518 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.760 3.521 4.556 1.00 0.00 H new ATOM 931 N LYS A 62 7.275 1.596 -0.128 1.00 0.00 N ATOM 932 CA LYS A 62 7.419 0.441 -1.091 1.00 0.00 C ATOM 933 C LYS A 62 8.464 -0.497 -0.444 1.00 0.00 C ATOM 934 O LYS A 62 8.285 -1.692 -0.354 1.00 0.00 O ATOM 935 CB LYS A 62 7.915 0.973 -2.459 1.00 0.00 C ATOM 936 CG LYS A 62 8.348 -0.223 -3.348 1.00 0.00 C ATOM 937 CD LYS A 62 8.508 0.215 -4.816 1.00 0.00 C ATOM 938 CE LYS A 62 7.113 0.345 -5.456 1.00 0.00 C ATOM 939 NZ LYS A 62 7.241 0.750 -6.881 1.00 0.00 N ATOM 0 H LYS A 62 7.284 2.520 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 62 6.480 -0.082 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.124 1.539 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.752 1.656 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.289 -0.632 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.607 -1.019 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.037 1.167 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.107 -0.513 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.582 -0.604 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.522 1.082 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.295 0.835 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.730 1.666 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.788 0.032 -7.398 1.00 0.00 H new