USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 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 Single : A 10 SER OG : rot -170:sc= -0.117 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.5 USER MOD Single : A 17 SER OG : rot -45:sc= -0.0568 USER MOD Single : A 19 TYR OH : rot -80:sc= 0.929 USER MOD Single : A 22 LYS NZ :NH3+ 130:sc= -0.0935 (180deg=-0.715) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00839 X(o=-0.0084,f=-0.0084) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.0418 (180deg=-0.412) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.793 F(o=-2.4!,f=-0.79) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.591 F(o=-1.5,f=-0.59) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 0.0553 (180deg=-0.401) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.27 F(o=-2,f=-0.27) USER MOD Single : A 54 TYR OH : rot -68:sc= 1.04 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0231 (180deg=-0.369) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.720 0.513 -0.232 1.00 0.00 N ATOM 86 CA PRO A 8 0.866 1.617 0.777 1.00 0.00 C ATOM 87 C PRO A 8 0.452 2.998 0.199 1.00 0.00 C ATOM 88 O PRO A 8 0.014 3.052 -0.934 1.00 0.00 O ATOM 89 CB PRO A 8 2.352 1.517 1.191 1.00 0.00 C ATOM 90 CG PRO A 8 3.027 0.962 -0.070 1.00 0.00 C ATOM 91 CD PRO A 8 2.045 -0.123 -0.514 1.00 0.00 C ATOM 0 HA PRO A 8 0.204 1.518 1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.759 2.489 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.489 0.855 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.157 1.730 -0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.015 0.554 0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.161 -0.370 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.180 -1.048 0.047 1.00 0.00 H new ATOM 99 N PRO A 9 0.583 4.067 0.971 1.00 0.00 N ATOM 100 CA PRO A 9 0.495 5.478 0.477 1.00 0.00 C ATOM 101 C PRO A 9 0.955 5.756 -0.972 1.00 0.00 C ATOM 102 O PRO A 9 1.600 4.943 -1.607 1.00 0.00 O ATOM 103 CB PRO A 9 1.282 6.244 1.537 1.00 0.00 C ATOM 104 CG PRO A 9 0.782 5.545 2.824 1.00 0.00 C ATOM 105 CD PRO A 9 0.832 4.042 2.447 1.00 0.00 C ATOM 0 HA PRO A 9 -0.545 5.789 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.359 6.146 1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.056 7.310 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.421 5.768 3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.227 5.861 3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.797 3.596 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.073 3.466 2.976 1.00 0.00 H new ATOM 113 N SER A 10 0.611 6.930 -1.433 1.00 0.00 N ATOM 114 CA SER A 10 0.962 7.362 -2.822 1.00 0.00 C ATOM 115 C SER A 10 2.001 8.486 -2.928 1.00 0.00 C ATOM 116 O SER A 10 2.897 8.411 -3.747 1.00 0.00 O ATOM 117 CB SER A 10 -0.343 7.804 -3.516 1.00 0.00 C ATOM 118 OG SER A 10 -0.859 8.839 -2.685 1.00 0.00 O ATOM 0 H SER A 10 0.091 7.623 -0.895 1.00 0.00 H new ATOM 0 HA SER A 10 1.435 6.505 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.152 8.165 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.047 6.976 -3.601 1.00 0.00 H new ATOM 0 HG SER A 10 -1.768 9.066 -2.972 1.00 0.00 H new ATOM 124 N ALA A 11 1.819 9.466 -2.081 1.00 0.00 N ATOM 125 CA ALA A 11 2.657 10.708 -1.952 1.00 0.00 C ATOM 126 C ALA A 11 1.589 11.761 -1.632 1.00 0.00 C ATOM 127 O ALA A 11 1.738 12.639 -0.803 1.00 0.00 O ATOM 128 CB ALA A 11 3.332 11.109 -3.273 1.00 0.00 C ATOM 0 H ALA A 11 1.050 9.452 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 11 3.460 10.588 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.923 12.012 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.983 10.302 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.569 11.299 -4.028 1.00 0.00 H new ATOM 134 N PHE A 12 0.510 11.573 -2.347 1.00 0.00 N ATOM 135 CA PHE A 12 -0.712 12.391 -2.295 1.00 0.00 C ATOM 136 C PHE A 12 -1.555 11.912 -1.103 1.00 0.00 C ATOM 137 O PHE A 12 -2.653 12.380 -0.890 1.00 0.00 O ATOM 138 CB PHE A 12 -1.373 12.169 -3.668 1.00 0.00 C ATOM 139 CG PHE A 12 -2.871 12.386 -3.618 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.424 13.651 -3.685 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.686 11.299 -3.521 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.795 13.804 -3.650 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.038 11.452 -3.488 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.602 12.703 -3.552 1.00 0.00 C ATOM 0 H PHE A 12 0.439 10.811 -3.021 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.557 13.458 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.932 12.849 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.165 11.156 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.785 14.518 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.257 10.309 -3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.230 14.791 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.673 10.582 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.676 12.817 -3.525 1.00 0.00 H new ATOM 154 N PHE A 13 -1.000 10.994 -0.351 1.00 0.00 N ATOM 155 CA PHE A 13 -1.712 10.444 0.831 1.00 0.00 C ATOM 156 C PHE A 13 -1.189 11.234 2.036 1.00 0.00 C ATOM 157 O PHE A 13 -1.978 11.713 2.824 1.00 0.00 O ATOM 158 CB PHE A 13 -1.374 8.945 0.919 1.00 0.00 C ATOM 159 CG PHE A 13 -2.483 8.206 1.684 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.689 8.410 3.036 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.303 7.321 1.004 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.698 7.740 3.697 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.310 6.650 1.662 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.510 6.860 3.010 1.00 0.00 C ATOM 0 H PHE A 13 -0.073 10.601 -0.512 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.797 10.536 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.269 8.527 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.418 8.807 1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.057 9.098 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.151 7.155 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.853 7.904 4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.942 5.960 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.301 6.337 3.527 1.00 0.00 H new ATOM 174 N LEU A 14 0.114 11.357 2.143 1.00 0.00 N ATOM 175 CA LEU A 14 0.724 12.116 3.285 1.00 0.00 C ATOM 176 C LEU A 14 0.066 13.509 3.299 1.00 0.00 C ATOM 177 O LEU A 14 -0.468 13.983 4.282 1.00 0.00 O ATOM 178 CB LEU A 14 2.265 12.274 3.084 1.00 0.00 C ATOM 179 CG LEU A 14 3.123 10.955 2.937 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.767 9.836 3.947 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.159 10.400 1.495 1.00 0.00 C ATOM 0 H LEU A 14 0.786 10.962 1.485 1.00 0.00 H new ATOM 0 HA LEU A 14 0.561 11.584 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.427 12.881 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.658 12.838 3.930 1.00 0.00 H new ATOM 0 HG LEU A 14 4.130 11.287 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.406 8.970 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.921 10.200 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.723 9.549 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.765 9.495 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.145 10.167 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.592 11.146 0.829 1.00 0.00 H new ATOM 193 N PHE A 15 0.137 14.111 2.147 1.00 0.00 N ATOM 194 CA PHE A 15 -0.431 15.465 1.909 1.00 0.00 C ATOM 195 C PHE A 15 -1.960 15.456 2.151 1.00 0.00 C ATOM 196 O PHE A 15 -2.498 16.305 2.843 1.00 0.00 O ATOM 197 CB PHE A 15 0.044 15.790 0.461 1.00 0.00 C ATOM 198 CG PHE A 15 -0.890 16.576 -0.459 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.969 15.955 -1.065 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.629 17.905 -0.737 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.760 16.659 -1.935 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.429 18.604 -1.611 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.494 17.977 -2.212 1.00 0.00 C ATOM 0 H PHE A 15 0.585 13.701 1.327 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.097 16.249 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.978 16.346 0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.274 14.845 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.187 14.919 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.208 18.397 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.601 16.172 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.221 19.642 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.122 18.521 -2.902 1.00 0.00 H new ATOM 213 N CYS A 16 -2.629 14.489 1.578 1.00 0.00 N ATOM 214 CA CYS A 16 -4.111 14.403 1.764 1.00 0.00 C ATOM 215 C CYS A 16 -4.524 14.396 3.223 1.00 0.00 C ATOM 216 O CYS A 16 -5.397 15.153 3.604 1.00 0.00 O ATOM 217 CB CYS A 16 -4.691 13.132 1.131 1.00 0.00 C ATOM 218 SG CYS A 16 -6.456 12.844 1.427 1.00 0.00 S ATOM 0 H CYS A 16 -2.219 13.760 0.994 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.502 15.295 1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.524 13.175 0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.133 12.274 1.506 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.821 11.743 0.839 1.00 0.00 H new ATOM 223 N SER A 17 -3.902 13.549 4.000 1.00 0.00 N ATOM 224 CA SER A 17 -4.277 13.501 5.432 1.00 0.00 C ATOM 225 C SER A 17 -4.066 14.852 6.091 1.00 0.00 C ATOM 226 O SER A 17 -4.979 15.351 6.719 1.00 0.00 O ATOM 227 CB SER A 17 -3.441 12.444 6.122 1.00 0.00 C ATOM 228 OG SER A 17 -2.077 12.783 5.932 1.00 0.00 O ATOM 0 H SER A 17 -3.167 12.904 3.709 1.00 0.00 H new ATOM 0 HA SER A 17 -5.334 13.250 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.680 12.400 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.652 11.458 5.707 1.00 0.00 H new ATOM 0 HG SER A 17 -1.930 13.036 4.997 1.00 0.00 H new ATOM 234 N GLU A 18 -2.873 15.375 5.910 1.00 0.00 N ATOM 235 CA GLU A 18 -2.476 16.694 6.474 1.00 0.00 C ATOM 236 C GLU A 18 -3.667 17.647 6.516 1.00 0.00 C ATOM 237 O GLU A 18 -3.882 18.310 7.514 1.00 0.00 O ATOM 238 CB GLU A 18 -1.350 17.286 5.603 1.00 0.00 C ATOM 239 CG GLU A 18 -0.931 18.669 6.143 1.00 0.00 C ATOM 240 CD GLU A 18 0.176 19.244 5.244 1.00 0.00 C ATOM 241 OE1 GLU A 18 1.257 18.682 5.292 1.00 0.00 O ATOM 242 OE2 GLU A 18 -0.125 20.209 4.558 1.00 0.00 O ATOM 0 H GLU A 18 -2.136 14.918 5.373 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.123 16.558 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.492 16.614 5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.688 17.378 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.789 19.342 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.574 18.580 7.169 1.00 0.00 H new ATOM 249 N TYR A 19 -4.398 17.672 5.422 1.00 0.00 N ATOM 250 CA TYR A 19 -5.583 18.587 5.385 1.00 0.00 C ATOM 251 C TYR A 19 -6.881 18.022 4.788 1.00 0.00 C ATOM 252 O TYR A 19 -7.550 18.710 4.044 1.00 0.00 O ATOM 253 CB TYR A 19 -5.158 19.861 4.620 1.00 0.00 C ATOM 254 CG TYR A 19 -4.911 19.669 3.115 1.00 0.00 C ATOM 255 CD1 TYR A 19 -4.861 18.440 2.473 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.746 20.815 2.372 1.00 0.00 C ATOM 257 CE1 TYR A 19 -4.654 18.381 1.111 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.543 20.756 1.016 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.496 19.540 0.378 1.00 0.00 C ATOM 260 OH TYR A 19 -4.308 19.500 -0.984 1.00 0.00 O ATOM 0 H TYR A 19 -4.232 17.118 4.582 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.851 18.774 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.930 20.619 4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.247 20.252 5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.984 17.529 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.777 21.776 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.615 17.422 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.420 21.667 0.449 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.370 19.295 -1.179 1.00 0.00 H new ATOM 270 N ARG A 20 -7.238 16.809 5.112 1.00 0.00 N ATOM 271 CA ARG A 20 -8.505 16.266 4.531 1.00 0.00 C ATOM 272 C ARG A 20 -9.691 16.765 5.383 1.00 0.00 C ATOM 273 O ARG A 20 -10.637 17.267 4.808 1.00 0.00 O ATOM 274 CB ARG A 20 -8.410 14.701 4.493 1.00 0.00 C ATOM 275 CG ARG A 20 -9.785 14.082 4.161 1.00 0.00 C ATOM 276 CD ARG A 20 -9.613 12.617 3.715 1.00 0.00 C ATOM 277 NE ARG A 20 -8.845 11.858 4.753 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.329 10.761 5.274 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.740 9.807 4.483 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.376 10.655 6.574 1.00 0.00 N ATOM 0 H ARG A 20 -6.727 16.184 5.735 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.660 16.613 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.677 14.394 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.060 14.329 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.435 14.130 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.270 14.656 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.589 12.157 3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.089 12.577 2.760 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.934 12.201 5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.681 9.923 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.120 8.946 4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.039 11.419 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.749 9.809 7.003 1.00 0.00 H new ATOM 294 N PRO A 21 -9.651 16.659 6.699 1.00 0.00 N ATOM 295 CA PRO A 21 -10.771 17.108 7.578 1.00 0.00 C ATOM 296 C PRO A 21 -10.906 18.643 7.544 1.00 0.00 C ATOM 297 O PRO A 21 -11.896 19.192 7.988 1.00 0.00 O ATOM 298 CB PRO A 21 -10.412 16.568 8.972 1.00 0.00 C ATOM 299 CG PRO A 21 -9.356 15.472 8.673 1.00 0.00 C ATOM 300 CD PRO A 21 -8.554 16.089 7.529 1.00 0.00 C ATOM 0 HA PRO A 21 -11.743 16.735 7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.008 17.351 9.614 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.284 16.157 9.481 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.730 15.264 9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.820 14.530 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.858 16.853 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.968 15.347 6.987 1.00 0.00 H new ATOM 308 N LYS A 22 -9.894 19.279 7.007 1.00 0.00 N ATOM 309 CA LYS A 22 -9.876 20.768 6.908 1.00 0.00 C ATOM 310 C LYS A 22 -10.631 21.232 5.653 1.00 0.00 C ATOM 311 O LYS A 22 -11.275 22.262 5.686 1.00 0.00 O ATOM 312 CB LYS A 22 -8.403 21.233 6.866 1.00 0.00 C ATOM 313 CG LYS A 22 -8.327 22.724 7.254 1.00 0.00 C ATOM 314 CD LYS A 22 -6.856 23.192 7.305 1.00 0.00 C ATOM 315 CE LYS A 22 -6.782 24.575 7.989 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.209 24.460 9.414 1.00 0.00 N ATOM 0 H LYS A 22 -9.066 18.819 6.627 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.376 21.207 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.802 20.636 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.991 21.084 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.881 23.323 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.798 22.878 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.252 22.470 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.446 23.250 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.765 24.963 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.422 25.285 7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.501 24.913 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.128 24.931 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.296 23.456 9.670 1.00 0.00 H new ATOM 330 N ILE A 23 -10.564 20.473 4.585 1.00 0.00 N ATOM 331 CA ILE A 23 -11.281 20.899 3.343 1.00 0.00 C ATOM 332 C ILE A 23 -12.725 20.560 3.651 1.00 0.00 C ATOM 333 O ILE A 23 -13.625 21.342 3.451 1.00 0.00 O ATOM 334 CB ILE A 23 -10.815 20.085 2.121 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.290 20.239 1.939 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.549 20.633 0.859 1.00 0.00 C ATOM 337 CD1 ILE A 23 -8.810 19.173 0.956 1.00 0.00 C ATOM 0 H ILE A 23 -10.053 19.592 4.519 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.108 21.947 3.100 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.046 19.030 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.052 21.235 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.781 20.128 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.233 20.070 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.626 20.527 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.302 21.686 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.733 19.267 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.039 18.184 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.314 19.307 -0.001 1.00 0.00 H new ATOM 349 N LYS A 24 -12.857 19.364 4.142 1.00 0.00 N ATOM 350 CA LYS A 24 -14.148 18.758 4.543 1.00 0.00 C ATOM 351 C LYS A 24 -14.954 19.756 5.389 1.00 0.00 C ATOM 352 O LYS A 24 -16.133 19.969 5.185 1.00 0.00 O ATOM 353 CB LYS A 24 -13.773 17.510 5.320 1.00 0.00 C ATOM 354 CG LYS A 24 -15.030 16.692 5.706 1.00 0.00 C ATOM 355 CD LYS A 24 -14.689 15.609 6.758 1.00 0.00 C ATOM 356 CE LYS A 24 -13.664 14.589 6.220 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.429 13.531 7.244 1.00 0.00 N ATOM 0 H LYS A 24 -12.062 18.742 4.290 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.784 18.505 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.104 16.893 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.227 17.790 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.795 17.360 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.448 16.221 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.291 16.085 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.600 15.088 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.031 14.141 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.727 15.092 5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.738 12.844 6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.061 13.966 8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.324 13.045 7.452 1.00 0.00 H new ATOM 371 N GLY A 25 -14.230 20.328 6.321 1.00 0.00 N ATOM 372 CA GLY A 25 -14.786 21.324 7.270 1.00 0.00 C ATOM 373 C GLY A 25 -15.423 22.527 6.579 1.00 0.00 C ATOM 374 O GLY A 25 -16.548 22.900 6.848 1.00 0.00 O ATOM 0 H GLY A 25 -13.239 20.132 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.532 20.839 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.990 21.672 7.929 1.00 0.00 H new ATOM 378 N GLU A 26 -14.640 23.085 5.698 1.00 0.00 N ATOM 379 CA GLU A 26 -15.034 24.277 4.896 1.00 0.00 C ATOM 380 C GLU A 26 -16.143 23.963 3.887 1.00 0.00 C ATOM 381 O GLU A 26 -17.087 24.711 3.731 1.00 0.00 O ATOM 382 CB GLU A 26 -13.780 24.774 4.163 1.00 0.00 C ATOM 383 CG GLU A 26 -12.635 25.049 5.172 1.00 0.00 C ATOM 384 CD GLU A 26 -12.838 26.399 5.888 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.747 26.472 6.696 1.00 0.00 O ATOM 386 OE2 GLU A 26 -12.064 27.292 5.580 1.00 0.00 O ATOM 0 H GLU A 26 -13.700 22.746 5.493 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.434 25.039 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.459 24.030 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.012 25.684 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.594 24.246 5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.678 25.051 4.649 1.00 0.00 H new ATOM 393 N HIS A 27 -15.969 22.842 3.236 1.00 0.00 N ATOM 394 CA HIS A 27 -16.912 22.343 2.204 1.00 0.00 C ATOM 395 C HIS A 27 -17.461 20.959 2.596 1.00 0.00 C ATOM 396 O HIS A 27 -17.044 19.948 2.060 1.00 0.00 O ATOM 397 CB HIS A 27 -16.141 22.288 0.871 1.00 0.00 C ATOM 398 CG HIS A 27 -15.449 23.639 0.670 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.057 24.764 0.491 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.103 23.965 0.641 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.184 25.712 0.361 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.957 25.260 0.446 1.00 0.00 N ATOM 0 H HIS A 27 -15.170 22.227 3.391 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.773 23.005 2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.407 21.482 0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.822 22.082 0.045 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.292 23.261 0.761 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.437 26.750 0.202 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.088 25.789 0.377 1.00 0.00 H new ATOM 410 N PRO A 28 -18.392 20.947 3.528 1.00 0.00 N ATOM 411 CA PRO A 28 -19.185 19.737 3.882 1.00 0.00 C ATOM 412 C PRO A 28 -20.273 19.502 2.810 1.00 0.00 C ATOM 413 O PRO A 28 -21.425 19.248 3.104 1.00 0.00 O ATOM 414 CB PRO A 28 -19.722 20.077 5.272 1.00 0.00 C ATOM 415 CG PRO A 28 -20.009 21.597 5.133 1.00 0.00 C ATOM 416 CD PRO A 28 -18.775 22.122 4.360 1.00 0.00 C ATOM 0 HA PRO A 28 -18.630 18.799 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.621 19.511 5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.993 19.868 6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.934 21.784 4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.109 22.078 6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.019 22.990 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.972 22.422 5.033 1.00 0.00 H new ATOM 424 N GLY A 29 -19.822 19.605 1.587 1.00 0.00 N ATOM 425 CA GLY A 29 -20.646 19.423 0.368 1.00 0.00 C ATOM 426 C GLY A 29 -19.928 18.407 -0.524 1.00 0.00 C ATOM 427 O GLY A 29 -20.538 17.807 -1.390 1.00 0.00 O ATOM 0 H GLY A 29 -18.847 19.823 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.643 19.068 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.772 20.371 -0.155 1.00 0.00 H new ATOM 431 N LEU A 30 -18.645 18.248 -0.286 1.00 0.00 N ATOM 432 CA LEU A 30 -17.821 17.295 -1.071 1.00 0.00 C ATOM 433 C LEU A 30 -17.966 15.897 -0.455 1.00 0.00 C ATOM 434 O LEU A 30 -18.366 15.743 0.685 1.00 0.00 O ATOM 435 CB LEU A 30 -16.325 17.691 -1.006 1.00 0.00 C ATOM 436 CG LEU A 30 -16.041 19.153 -1.390 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.514 19.384 -1.404 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.647 19.544 -2.752 1.00 0.00 C ATOM 0 H LEU A 30 -18.132 18.754 0.436 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.158 17.309 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.958 17.515 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.759 17.037 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.518 19.788 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.305 20.419 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.106 19.179 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.052 18.717 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.413 20.586 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.228 18.909 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.729 19.414 -2.720 1.00 0.00 H new ATOM 450 N SER A 31 -17.627 14.926 -1.255 1.00 0.00 N ATOM 451 CA SER A 31 -17.682 13.499 -0.851 1.00 0.00 C ATOM 452 C SER A 31 -16.240 13.010 -0.857 1.00 0.00 C ATOM 453 O SER A 31 -15.337 13.732 -1.221 1.00 0.00 O ATOM 454 CB SER A 31 -18.509 12.698 -1.865 1.00 0.00 C ATOM 455 OG SER A 31 -19.772 13.349 -1.877 1.00 0.00 O ATOM 0 H SER A 31 -17.301 15.073 -2.210 1.00 0.00 H new ATOM 0 HA SER A 31 -18.147 13.376 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.047 12.708 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.602 11.654 -1.567 1.00 0.00 H new ATOM 0 HG SER A 31 -20.368 12.895 -2.509 1.00 0.00 H new ATOM 461 N ILE A 32 -16.059 11.789 -0.450 1.00 0.00 N ATOM 462 CA ILE A 32 -14.698 11.174 -0.406 1.00 0.00 C ATOM 463 C ILE A 32 -14.031 11.176 -1.782 1.00 0.00 C ATOM 464 O ILE A 32 -12.837 10.989 -1.885 1.00 0.00 O ATOM 465 CB ILE A 32 -14.897 9.740 0.154 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.565 8.934 0.315 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.934 8.939 -0.694 1.00 0.00 C ATOM 468 CD1 ILE A 32 -13.170 8.095 -0.935 1.00 0.00 C ATOM 0 H ILE A 32 -16.811 11.174 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.023 11.746 0.231 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.293 9.871 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.757 9.630 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.659 8.266 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.051 7.939 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.894 9.454 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.582 8.863 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.236 7.568 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.956 7.372 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.041 8.757 -1.791 1.00 0.00 H new ATOM 480 N GLY A 33 -14.831 11.399 -2.786 1.00 0.00 N ATOM 481 CA GLY A 33 -14.306 11.423 -4.193 1.00 0.00 C ATOM 482 C GLY A 33 -14.197 12.843 -4.765 1.00 0.00 C ATOM 483 O GLY A 33 -13.805 13.020 -5.899 1.00 0.00 O ATOM 0 H GLY A 33 -15.833 11.567 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.324 10.950 -4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.961 10.829 -4.830 1.00 0.00 H new ATOM 487 N ASP A 34 -14.532 13.808 -3.955 1.00 0.00 N ATOM 488 CA ASP A 34 -14.486 15.243 -4.356 1.00 0.00 C ATOM 489 C ASP A 34 -13.342 15.844 -3.592 1.00 0.00 C ATOM 490 O ASP A 34 -12.547 16.567 -4.148 1.00 0.00 O ATOM 491 CB ASP A 34 -15.805 15.902 -3.977 1.00 0.00 C ATOM 492 CG ASP A 34 -16.966 15.351 -4.822 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.224 14.166 -4.698 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.534 16.152 -5.547 1.00 0.00 O ATOM 0 H ASP A 34 -14.847 13.655 -2.997 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.345 15.378 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.009 15.732 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.729 16.980 -4.118 1.00 0.00 H new ATOM 499 N VAL A 35 -13.306 15.524 -2.330 1.00 0.00 N ATOM 500 CA VAL A 35 -12.229 16.020 -1.442 1.00 0.00 C ATOM 501 C VAL A 35 -10.961 15.406 -2.058 1.00 0.00 C ATOM 502 O VAL A 35 -9.935 16.041 -2.175 1.00 0.00 O ATOM 503 CB VAL A 35 -12.505 15.491 -0.008 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.367 15.913 0.935 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.815 16.094 0.534 1.00 0.00 C ATOM 0 H VAL A 35 -13.994 14.927 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.148 17.104 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.578 14.404 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.568 15.538 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.425 15.500 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.300 17.001 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.000 15.717 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.731 17.180 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.642 15.812 -0.117 1.00 0.00 H new ATOM 515 N ALA A 36 -11.115 14.172 -2.464 1.00 0.00 N ATOM 516 CA ALA A 36 -10.011 13.396 -3.078 1.00 0.00 C ATOM 517 C ALA A 36 -9.680 13.932 -4.451 1.00 0.00 C ATOM 518 O ALA A 36 -8.518 14.123 -4.736 1.00 0.00 O ATOM 519 CB ALA A 36 -10.439 11.951 -3.174 1.00 0.00 C ATOM 0 H ALA A 36 -11.993 13.659 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.117 13.483 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.639 11.364 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.653 11.568 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.334 11.877 -3.791 1.00 0.00 H new ATOM 525 N LYS A 37 -10.675 14.160 -5.275 1.00 0.00 N ATOM 526 CA LYS A 37 -10.335 14.700 -6.621 1.00 0.00 C ATOM 527 C LYS A 37 -10.003 16.195 -6.501 1.00 0.00 C ATOM 528 O LYS A 37 -9.495 16.787 -7.430 1.00 0.00 O ATOM 529 CB LYS A 37 -11.526 14.514 -7.583 1.00 0.00 C ATOM 530 CG LYS A 37 -11.638 13.025 -7.975 1.00 0.00 C ATOM 531 CD LYS A 37 -12.789 12.855 -8.993 1.00 0.00 C ATOM 532 CE LYS A 37 -12.925 11.374 -9.380 1.00 0.00 C ATOM 533 NZ LYS A 37 -11.669 10.892 -10.023 1.00 0.00 N ATOM 0 H LYS A 37 -11.665 14.003 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.473 14.161 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.448 14.847 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.388 15.127 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.699 12.678 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.825 12.416 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.724 13.216 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.594 13.456 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.140 10.777 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.765 11.245 -10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.858 10.005 -10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.325 11.609 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.947 10.725 -9.293 1.00 0.00 H new ATOM 547 N LYS A 38 -10.267 16.784 -5.359 1.00 0.00 N ATOM 548 CA LYS A 38 -9.965 18.226 -5.211 1.00 0.00 C ATOM 549 C LYS A 38 -8.493 18.259 -4.936 1.00 0.00 C ATOM 550 O LYS A 38 -7.760 18.811 -5.735 1.00 0.00 O ATOM 551 CB LYS A 38 -10.772 18.840 -4.030 1.00 0.00 C ATOM 552 CG LYS A 38 -10.273 20.290 -3.769 1.00 0.00 C ATOM 553 CD LYS A 38 -11.420 21.215 -3.303 1.00 0.00 C ATOM 554 CE LYS A 38 -12.374 21.490 -4.489 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.401 22.495 -4.101 1.00 0.00 N ATOM 0 H LYS A 38 -10.672 16.330 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.237 18.808 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.836 18.846 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.647 18.233 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.488 20.274 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.829 20.691 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.967 20.749 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.014 22.153 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.806 21.852 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.859 20.564 -4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.036 22.671 -4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.953 22.134 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.933 23.383 -3.829 1.00 0.00 H new ATOM 569 N LEU A 39 -8.063 17.666 -3.852 1.00 0.00 N ATOM 570 CA LEU A 39 -6.604 17.731 -3.639 1.00 0.00 C ATOM 571 C LEU A 39 -5.912 16.804 -4.632 1.00 0.00 C ATOM 572 O LEU A 39 -4.727 16.950 -4.820 1.00 0.00 O ATOM 573 CB LEU A 39 -6.275 17.357 -2.185 1.00 0.00 C ATOM 574 CG LEU A 39 -6.880 16.040 -1.711 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.807 15.173 -1.048 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.772 16.395 -0.506 1.00 0.00 C ATOM 0 H LEU A 39 -8.620 17.174 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.241 18.745 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.192 17.304 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.623 18.157 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.364 15.548 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.252 14.236 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.014 14.963 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.390 15.702 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.237 15.489 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.164 16.853 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.547 17.094 -0.820 1.00 0.00 H new ATOM 588 N GLY A 40 -6.629 15.887 -5.249 1.00 0.00 N ATOM 589 CA GLY A 40 -5.980 14.959 -6.253 1.00 0.00 C ATOM 590 C GLY A 40 -5.300 15.840 -7.283 1.00 0.00 C ATOM 591 O GLY A 40 -4.161 15.637 -7.656 1.00 0.00 O ATOM 0 H GLY A 40 -7.628 15.738 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.257 14.305 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.724 14.316 -6.724 1.00 0.00 H new ATOM 595 N GLU A 41 -6.054 16.820 -7.697 1.00 0.00 N ATOM 596 CA GLU A 41 -5.543 17.773 -8.701 1.00 0.00 C ATOM 597 C GLU A 41 -4.558 18.718 -8.033 1.00 0.00 C ATOM 598 O GLU A 41 -3.465 18.879 -8.538 1.00 0.00 O ATOM 599 CB GLU A 41 -6.743 18.496 -9.273 1.00 0.00 C ATOM 600 CG GLU A 41 -7.353 17.680 -10.455 1.00 0.00 C ATOM 601 CD GLU A 41 -7.752 16.235 -10.080 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.856 15.407 -10.040 1.00 0.00 O ATOM 603 OE2 GLU A 41 -8.932 16.029 -9.855 1.00 0.00 O ATOM 0 H GLU A 41 -7.006 16.996 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.007 17.278 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.494 18.640 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.448 19.487 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.233 18.204 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.631 17.647 -11.271 1.00 0.00 H new ATOM 610 N MET A 42 -4.952 19.313 -6.930 1.00 0.00 N ATOM 611 CA MET A 42 -4.032 20.262 -6.211 1.00 0.00 C ATOM 612 C MET A 42 -2.614 19.679 -6.171 1.00 0.00 C ATOM 613 O MET A 42 -1.647 20.322 -6.511 1.00 0.00 O ATOM 614 CB MET A 42 -4.502 20.451 -4.805 1.00 0.00 C ATOM 615 CG MET A 42 -5.887 21.142 -4.779 1.00 0.00 C ATOM 616 SD MET A 42 -5.993 22.890 -5.245 1.00 0.00 S ATOM 617 CE MET A 42 -7.270 22.744 -6.521 1.00 0.00 C ATOM 0 H MET A 42 -5.866 19.185 -6.496 1.00 0.00 H new ATOM 0 HA MET A 42 -4.031 21.216 -6.738 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.563 19.485 -4.304 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.780 21.052 -4.253 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.549 20.582 -5.440 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.287 21.044 -3.770 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.481 23.728 -6.939 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.919 22.082 -7.313 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.179 22.334 -6.081 1.00 0.00 H new ATOM 627 N TRP A 43 -2.585 18.451 -5.734 1.00 0.00 N ATOM 628 CA TRP A 43 -1.363 17.632 -5.594 1.00 0.00 C ATOM 629 C TRP A 43 -0.609 17.604 -6.894 1.00 0.00 C ATOM 630 O TRP A 43 0.557 17.941 -6.915 1.00 0.00 O ATOM 631 CB TRP A 43 -1.792 16.238 -5.188 1.00 0.00 C ATOM 632 CG TRP A 43 -0.615 15.285 -5.309 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.453 14.401 -6.316 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.426 15.209 -4.464 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.697 13.838 -6.013 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.310 14.251 -4.920 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.685 15.906 -3.296 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.468 13.989 -4.198 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.842 15.645 -2.567 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.738 14.683 -3.021 1.00 0.00 C ATOM 0 H TRP A 43 -3.429 17.954 -5.449 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.699 18.052 -4.839 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.163 16.245 -4.163 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.612 15.900 -5.821 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.102 14.205 -7.157 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.100 13.109 -6.602 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.012 16.654 -2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.163 13.242 -4.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.043 16.186 -1.654 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.639 14.475 -2.463 1.00 0.00 H new ATOM 651 N ASN A 44 -1.311 17.208 -7.931 1.00 0.00 N ATOM 652 CA ASN A 44 -0.646 17.141 -9.266 1.00 0.00 C ATOM 653 C ASN A 44 0.133 18.444 -9.490 1.00 0.00 C ATOM 654 O ASN A 44 1.220 18.429 -10.035 1.00 0.00 O ATOM 655 CB ASN A 44 -1.709 16.922 -10.388 1.00 0.00 C ATOM 656 CG ASN A 44 -2.363 15.543 -10.185 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.652 15.412 -10.329 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.703 14.565 -9.894 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.293 16.935 -7.911 1.00 0.00 H new ATOM 0 HA ASN A 44 0.045 16.299 -9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.464 17.707 -10.352 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.239 16.977 -11.370 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.693 14.648 -9.777 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.159 13.661 -9.767 1.00 0.00 H new ATOM 665 N ASN A 45 -0.471 19.519 -9.045 1.00 0.00 N ATOM 666 CA ASN A 45 0.144 20.878 -9.164 1.00 0.00 C ATOM 667 C ASN A 45 0.413 21.521 -7.768 1.00 0.00 C ATOM 668 O ASN A 45 0.137 22.692 -7.575 1.00 0.00 O ATOM 669 CB ASN A 45 -0.836 21.739 -10.008 1.00 0.00 C ATOM 670 CG ASN A 45 -2.210 21.814 -9.308 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.226 21.166 -9.805 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -2.377 22.460 -8.294 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.386 19.511 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 45 1.119 20.813 -9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.431 22.742 -10.140 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.948 21.307 -11.003 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.599 22.976 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.296 22.486 -7.852 1.00 0.00 H new ATOM 679 N THR A 46 0.949 20.770 -6.825 1.00 0.00 N ATOM 680 CA THR A 46 1.219 21.354 -5.459 1.00 0.00 C ATOM 681 C THR A 46 2.408 22.308 -5.573 1.00 0.00 C ATOM 682 O THR A 46 2.389 23.413 -5.072 1.00 0.00 O ATOM 683 CB THR A 46 1.526 20.188 -4.417 1.00 0.00 C ATOM 684 OG1 THR A 46 1.717 20.836 -3.164 1.00 0.00 O ATOM 685 CG2 THR A 46 2.866 19.432 -4.608 1.00 0.00 C ATOM 0 H THR A 46 1.209 19.790 -6.938 1.00 0.00 H new ATOM 0 HA THR A 46 0.346 21.899 -5.100 1.00 0.00 H new ATOM 0 HB THR A 46 0.707 19.477 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.910 20.166 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.963 18.664 -3.841 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.883 18.966 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.695 20.134 -4.524 1.00 0.00 H new ATOM 693 N ALA A 47 3.397 21.798 -6.248 1.00 0.00 N ATOM 694 CA ALA A 47 4.668 22.519 -6.508 1.00 0.00 C ATOM 695 C ALA A 47 5.488 21.573 -7.374 1.00 0.00 C ATOM 696 O ALA A 47 5.988 21.966 -8.409 1.00 0.00 O ATOM 697 CB ALA A 47 5.438 22.797 -5.197 1.00 0.00 C ATOM 0 H ALA A 47 3.371 20.861 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 47 4.480 23.483 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.364 23.326 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.823 23.408 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.671 21.853 -4.705 1.00 0.00 H new ATOM 703 N ALA A 48 5.567 20.361 -6.870 1.00 0.00 N ATOM 704 CA ALA A 48 6.305 19.196 -7.472 1.00 0.00 C ATOM 705 C ALA A 48 7.601 19.134 -6.655 1.00 0.00 C ATOM 706 O ALA A 48 8.153 18.084 -6.386 1.00 0.00 O ATOM 707 CB ALA A 48 6.669 19.401 -8.969 1.00 0.00 C ATOM 0 H ALA A 48 5.110 20.116 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 48 5.692 18.295 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.199 18.523 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.757 19.545 -9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.306 20.279 -9.072 1.00 0.00 H new ATOM 713 N ASP A 49 8.022 20.319 -6.284 1.00 0.00 N ATOM 714 CA ASP A 49 9.252 20.539 -5.482 1.00 0.00 C ATOM 715 C ASP A 49 8.867 20.495 -3.984 1.00 0.00 C ATOM 716 O ASP A 49 9.702 20.647 -3.114 1.00 0.00 O ATOM 717 CB ASP A 49 9.819 21.912 -5.893 1.00 0.00 C ATOM 718 CG ASP A 49 11.087 22.255 -5.094 1.00 0.00 C ATOM 719 OD1 ASP A 49 12.052 21.526 -5.257 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.019 23.230 -4.361 1.00 0.00 O ATOM 0 H ASP A 49 7.532 21.181 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 49 10.010 19.775 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.048 21.909 -6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.065 22.682 -5.731 1.00 0.00 H new ATOM 725 N ASP A 50 7.593 20.277 -3.753 1.00 0.00 N ATOM 726 CA ASP A 50 7.010 20.191 -2.379 1.00 0.00 C ATOM 727 C ASP A 50 6.476 18.760 -2.201 1.00 0.00 C ATOM 728 O ASP A 50 6.086 18.377 -1.115 1.00 0.00 O ATOM 729 CB ASP A 50 5.854 21.201 -2.235 1.00 0.00 C ATOM 730 CG ASP A 50 5.252 21.119 -0.818 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.983 21.430 0.109 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.093 20.744 -0.744 1.00 0.00 O ATOM 0 H ASP A 50 6.906 20.150 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 50 7.762 20.423 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.217 22.211 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.084 20.993 -2.978 1.00 0.00 H new ATOM 737 N LYS A 51 6.478 18.010 -3.277 1.00 0.00 N ATOM 738 CA LYS A 51 5.988 16.606 -3.226 1.00 0.00 C ATOM 739 C LYS A 51 7.180 15.850 -2.699 1.00 0.00 C ATOM 740 O LYS A 51 7.049 15.152 -1.725 1.00 0.00 O ATOM 741 CB LYS A 51 5.666 16.019 -4.606 1.00 0.00 C ATOM 742 CG LYS A 51 4.467 16.686 -5.259 1.00 0.00 C ATOM 743 CD LYS A 51 4.238 15.973 -6.603 1.00 0.00 C ATOM 744 CE LYS A 51 3.006 16.547 -7.282 1.00 0.00 C ATOM 745 NZ LYS A 51 2.824 15.936 -8.628 1.00 0.00 N ATOM 0 H LYS A 51 6.802 18.318 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 51 5.072 16.547 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.535 16.127 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.473 14.951 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.585 16.604 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.652 17.749 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.110 16.097 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.111 14.903 -6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.125 16.360 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.105 17.628 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.300 16.594 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.755 15.739 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.290 15.048 -8.537 1.00 0.00 H new ATOM 759 N GLN A 52 8.290 16.016 -3.380 1.00 0.00 N ATOM 760 CA GLN A 52 9.586 15.358 -3.024 1.00 0.00 C ATOM 761 C GLN A 52 9.674 14.835 -1.568 1.00 0.00 C ATOM 762 O GLN A 52 9.901 13.655 -1.411 1.00 0.00 O ATOM 763 CB GLN A 52 10.718 16.392 -3.329 1.00 0.00 C ATOM 764 CG GLN A 52 11.899 15.693 -4.038 1.00 0.00 C ATOM 765 CD GLN A 52 11.506 15.164 -5.440 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.299 15.338 -5.912 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.317 14.574 -6.126 1.00 0.00 N flip ATOM 0 H GLN A 52 8.350 16.610 -4.207 1.00 0.00 H new ATOM 0 HA GLN A 52 9.687 14.454 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.329 17.193 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.061 16.852 -2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.729 16.393 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.251 14.864 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.265 14.425 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.050 14.227 -7.047 1.00 0.00 H new ATOM 776 N PRO A 53 9.498 15.658 -0.552 1.00 0.00 N ATOM 777 CA PRO A 53 9.416 15.193 0.868 1.00 0.00 C ATOM 778 C PRO A 53 8.430 14.030 1.094 1.00 0.00 C ATOM 779 O PRO A 53 8.790 12.983 1.597 1.00 0.00 O ATOM 780 CB PRO A 53 9.040 16.459 1.657 1.00 0.00 C ATOM 781 CG PRO A 53 8.405 17.372 0.582 1.00 0.00 C ATOM 782 CD PRO A 53 9.327 17.138 -0.621 1.00 0.00 C ATOM 0 HA PRO A 53 10.361 14.761 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.339 16.238 2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.914 16.923 2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.374 17.092 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.394 18.418 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.874 17.459 -1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.274 17.669 -0.526 1.00 0.00 H new ATOM 790 N TYR A 54 7.205 14.265 0.696 1.00 0.00 N ATOM 791 CA TYR A 54 6.125 13.236 0.852 1.00 0.00 C ATOM 792 C TYR A 54 6.435 12.053 -0.063 1.00 0.00 C ATOM 793 O TYR A 54 6.413 10.905 0.335 1.00 0.00 O ATOM 794 CB TYR A 54 4.771 13.865 0.464 1.00 0.00 C ATOM 795 CG TYR A 54 4.441 15.046 1.393 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.332 14.880 2.763 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.250 16.304 0.858 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.038 15.953 3.577 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.958 17.375 1.671 1.00 0.00 C ATOM 800 CZ TYR A 54 3.850 17.210 3.036 1.00 0.00 C ATOM 801 OH TYR A 54 3.557 18.290 3.844 1.00 0.00 O ATOM 0 H TYR A 54 6.901 15.137 0.263 1.00 0.00 H new ATOM 0 HA TYR A 54 6.076 12.891 1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.805 14.207 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.983 13.114 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.478 13.902 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.331 16.449 -0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.954 15.810 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.812 18.353 1.237 1.00 0.00 H new ATOM 0 HH TYR A 54 2.662 18.179 4.227 1.00 0.00 H new ATOM 811 N GLU A 55 6.714 12.394 -1.289 1.00 0.00 N ATOM 812 CA GLU A 55 7.048 11.382 -2.329 1.00 0.00 C ATOM 813 C GLU A 55 8.119 10.383 -1.863 1.00 0.00 C ATOM 814 O GLU A 55 7.877 9.193 -1.842 1.00 0.00 O ATOM 815 CB GLU A 55 7.500 12.167 -3.576 1.00 0.00 C ATOM 816 CG GLU A 55 6.580 11.837 -4.761 1.00 0.00 C ATOM 817 CD GLU A 55 7.034 12.626 -6.006 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.161 12.400 -6.421 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.231 13.412 -6.480 1.00 0.00 O ATOM 0 H GLU A 55 6.725 13.358 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 55 6.175 10.768 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.475 13.237 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.531 11.913 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.606 10.767 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.549 12.089 -4.515 1.00 0.00 H new ATOM 826 N LYS A 56 9.272 10.890 -1.510 1.00 0.00 N ATOM 827 CA LYS A 56 10.408 10.041 -1.032 1.00 0.00 C ATOM 828 C LYS A 56 9.922 8.996 -0.014 1.00 0.00 C ATOM 829 O LYS A 56 10.370 7.865 -0.015 1.00 0.00 O ATOM 830 CB LYS A 56 11.474 10.956 -0.380 1.00 0.00 C ATOM 831 CG LYS A 56 12.669 10.088 0.097 1.00 0.00 C ATOM 832 CD LYS A 56 13.698 10.945 0.871 1.00 0.00 C ATOM 833 CE LYS A 56 14.449 10.020 1.855 1.00 0.00 C ATOM 834 NZ LYS A 56 15.509 10.774 2.584 1.00 0.00 N ATOM 0 H LYS A 56 9.480 11.888 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 56 10.838 9.509 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.815 11.704 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.041 11.495 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.307 9.282 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.151 9.621 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.398 11.415 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.196 11.748 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.745 9.592 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.897 9.189 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.001 10.134 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.191 11.162 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.075 11.552 3.120 1.00 0.00 H new ATOM 848 N LYS A 57 8.998 9.407 0.822 1.00 0.00 N ATOM 849 CA LYS A 57 8.473 8.461 1.853 1.00 0.00 C ATOM 850 C LYS A 57 7.633 7.411 1.145 1.00 0.00 C ATOM 851 O LYS A 57 7.893 6.234 1.302 1.00 0.00 O ATOM 852 CB LYS A 57 7.640 9.268 2.890 1.00 0.00 C ATOM 853 CG LYS A 57 8.608 10.103 3.768 1.00 0.00 C ATOM 854 CD LYS A 57 9.341 9.168 4.768 1.00 0.00 C ATOM 855 CE LYS A 57 10.473 9.932 5.468 1.00 0.00 C ATOM 856 NZ LYS A 57 11.133 9.040 6.463 1.00 0.00 N ATOM 0 H LYS A 57 8.591 10.342 0.835 1.00 0.00 H new ATOM 0 HA LYS A 57 9.278 7.957 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.934 9.923 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.055 8.591 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.333 10.619 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.054 10.869 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.636 8.788 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.746 8.304 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.201 10.278 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.076 10.817 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.900 9.557 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.435 8.731 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.525 8.208 5.977 1.00 0.00 H new ATOM 870 N ALA A 58 6.655 7.851 0.394 1.00 0.00 N ATOM 871 CA ALA A 58 5.778 6.890 -0.356 1.00 0.00 C ATOM 872 C ALA A 58 6.666 5.796 -0.978 1.00 0.00 C ATOM 873 O ALA A 58 6.415 4.616 -0.829 1.00 0.00 O ATOM 874 CB ALA A 58 5.019 7.647 -1.458 1.00 0.00 C ATOM 0 H ALA A 58 6.423 8.836 0.265 1.00 0.00 H new ATOM 0 HA ALA A 58 5.054 6.432 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.382 6.952 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.404 8.426 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.733 8.101 -2.145 1.00 0.00 H new ATOM 880 N ALA A 59 7.693 6.254 -1.658 1.00 0.00 N ATOM 881 CA ALA A 59 8.668 5.342 -2.329 1.00 0.00 C ATOM 882 C ALA A 59 9.206 4.328 -1.302 1.00 0.00 C ATOM 883 O ALA A 59 8.986 3.146 -1.451 1.00 0.00 O ATOM 884 CB ALA A 59 9.826 6.180 -2.906 1.00 0.00 C ATOM 0 H ALA A 59 7.898 7.246 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 59 8.179 4.801 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.542 5.521 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.433 6.894 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.323 6.718 -2.099 1.00 0.00 H new ATOM 890 N LYS A 60 9.893 4.814 -0.295 1.00 0.00 N ATOM 891 CA LYS A 60 10.480 3.962 0.790 1.00 0.00 C ATOM 892 C LYS A 60 9.525 2.830 1.197 1.00 0.00 C ATOM 893 O LYS A 60 9.895 1.674 1.252 1.00 0.00 O ATOM 894 CB LYS A 60 10.797 4.889 1.990 1.00 0.00 C ATOM 895 CG LYS A 60 11.425 4.093 3.154 1.00 0.00 C ATOM 896 CD LYS A 60 11.769 5.071 4.301 1.00 0.00 C ATOM 897 CE LYS A 60 12.351 4.298 5.497 1.00 0.00 C ATOM 898 NZ LYS A 60 11.334 3.359 6.053 1.00 0.00 N ATOM 0 H LYS A 60 10.078 5.810 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 60 11.390 3.479 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.480 5.678 1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.883 5.376 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.732 3.329 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.324 3.577 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.487 5.813 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.874 5.613 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.235 3.743 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.671 4.997 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.621 3.062 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.411 3.836 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.260 2.523 5.438 1.00 0.00 H new ATOM 912 N LEU A 61 8.301 3.206 1.467 1.00 0.00 N ATOM 913 CA LEU A 61 7.280 2.194 1.879 1.00 0.00 C ATOM 914 C LEU A 61 7.032 1.204 0.741 1.00 0.00 C ATOM 915 O LEU A 61 7.153 0.015 0.953 1.00 0.00 O ATOM 916 CB LEU A 61 6.014 2.960 2.263 1.00 0.00 C ATOM 917 CG LEU A 61 6.401 4.037 3.318 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.142 4.774 3.743 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.135 3.413 4.538 1.00 0.00 C ATOM 0 H LEU A 61 7.964 4.168 1.420 1.00 0.00 H new ATOM 0 HA LEU A 61 7.621 1.606 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.572 3.430 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.266 2.279 2.671 1.00 0.00 H new ATOM 0 HG LEU A 61 7.102 4.742 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.397 5.533 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.689 5.252 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.435 4.067 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.388 4.198 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.485 2.682 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.048 2.921 4.201 1.00 0.00 H new ATOM 931 N LYS A 62 6.685 1.714 -0.417 1.00 0.00 N ATOM 932 CA LYS A 62 6.425 0.866 -1.632 1.00 0.00 C ATOM 933 C LYS A 62 7.519 -0.215 -1.675 1.00 0.00 C ATOM 934 O LYS A 62 7.275 -1.397 -1.789 1.00 0.00 O ATOM 935 CB LYS A 62 6.511 1.768 -2.871 1.00 0.00 C ATOM 936 CG LYS A 62 6.100 1.043 -4.178 1.00 0.00 C ATOM 937 CD LYS A 62 4.596 1.217 -4.490 1.00 0.00 C ATOM 938 CE LYS A 62 4.256 2.723 -4.636 1.00 0.00 C ATOM 939 NZ LYS A 62 3.003 2.900 -5.420 1.00 0.00 N ATOM 0 H LYS A 62 6.567 2.714 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 62 5.442 0.397 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.869 2.637 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.531 2.139 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.690 1.431 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.332 -0.019 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.343 0.688 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.997 0.776 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.142 3.174 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.078 3.241 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.789 3.914 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.125 2.488 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.218 2.422 -4.933 1.00 0.00 H new