USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 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 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -29:sc= -3.13! USER MOD Single : A 17 SER OG : rot -55:sc= 0.187 USER MOD Single : A 19 TYR OH : rot 46:sc= 1.19 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -115:sc= -0.471 (180deg=-1.12) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.145 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0178 (180deg=-0.26) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.164 F(o=-1.4,f=-0.16) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.423 F(o=-1.3,f=-0.42) USER MOD Single : A 46 THR OG1 : rot -158:sc= 0.467 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -2.17 (180deg=-4.83!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.151 F(o=-2.5,f=-0.15) USER MOD Single : A 54 TYR OH : rot -16:sc= 0.212 USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.0477 (180deg=-0.51) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0411) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0954) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.677 0.155 -0.463 1.00 0.00 N ATOM 86 CA PRO A 8 0.676 1.238 0.578 1.00 0.00 C ATOM 87 C PRO A 8 0.333 2.635 -0.010 1.00 0.00 C ATOM 88 O PRO A 8 0.078 2.722 -1.197 1.00 0.00 O ATOM 89 CB PRO A 8 2.093 1.138 1.197 1.00 0.00 C ATOM 90 CG PRO A 8 2.929 0.491 0.076 1.00 0.00 C ATOM 91 CD PRO A 8 1.977 -0.585 -0.450 1.00 0.00 C ATOM 0 HA PRO A 8 -0.102 1.111 1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.481 2.119 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.094 0.529 2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.200 1.210 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.858 0.064 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.261 -0.935 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.946 -1.460 0.200 1.00 0.00 H new ATOM 99 N PRO A 9 0.319 3.676 0.808 1.00 0.00 N ATOM 100 CA PRO A 9 0.272 5.112 0.388 1.00 0.00 C ATOM 101 C PRO A 9 0.716 5.484 -1.044 1.00 0.00 C ATOM 102 O PRO A 9 1.411 4.750 -1.719 1.00 0.00 O ATOM 103 CB PRO A 9 1.092 5.833 1.493 1.00 0.00 C ATOM 104 CG PRO A 9 1.372 4.741 2.583 1.00 0.00 C ATOM 105 CD PRO A 9 0.362 3.625 2.293 1.00 0.00 C ATOM 0 HA PRO A 9 -0.769 5.425 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.022 6.236 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.535 6.672 1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.396 4.373 2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.239 5.143 3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.697 2.657 2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.612 3.820 2.743 1.00 0.00 H new ATOM 113 N SER A 10 0.303 6.655 -1.449 1.00 0.00 N ATOM 114 CA SER A 10 0.631 7.167 -2.816 1.00 0.00 C ATOM 115 C SER A 10 1.699 8.268 -2.868 1.00 0.00 C ATOM 116 O SER A 10 2.502 8.270 -3.778 1.00 0.00 O ATOM 117 CB SER A 10 -0.687 7.675 -3.427 1.00 0.00 C ATOM 118 OG SER A 10 -0.361 8.116 -4.739 1.00 0.00 O ATOM 0 H SER A 10 -0.258 7.291 -0.882 1.00 0.00 H new ATOM 0 HA SER A 10 1.074 6.345 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.436 6.883 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.105 8.488 -2.834 1.00 0.00 H new ATOM 0 HG SER A 10 -1.168 8.452 -5.181 1.00 0.00 H new ATOM 124 N ALA A 11 1.647 9.138 -1.888 1.00 0.00 N ATOM 125 CA ALA A 11 2.556 10.325 -1.694 1.00 0.00 C ATOM 126 C ALA A 11 1.533 11.393 -1.297 1.00 0.00 C ATOM 127 O ALA A 11 1.669 12.133 -0.340 1.00 0.00 O ATOM 128 CB ALA A 11 3.231 10.760 -2.982 1.00 0.00 C ATOM 0 H ALA A 11 0.948 9.066 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 11 3.366 10.132 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.874 11.618 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.832 9.939 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.473 11.036 -3.715 1.00 0.00 H new ATOM 134 N PHE A 12 0.510 11.398 -2.112 1.00 0.00 N ATOM 135 CA PHE A 12 -0.660 12.287 -2.003 1.00 0.00 C ATOM 136 C PHE A 12 -1.169 11.979 -0.594 1.00 0.00 C ATOM 137 O PHE A 12 -1.523 12.875 0.133 1.00 0.00 O ATOM 138 CB PHE A 12 -1.558 11.838 -3.198 1.00 0.00 C ATOM 139 CG PHE A 12 -3.041 12.241 -3.229 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.691 12.932 -2.228 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.765 11.851 -4.345 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.029 13.221 -2.334 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.109 12.145 -4.450 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.743 12.830 -3.441 1.00 0.00 C ATOM 0 H PHE A 12 0.449 10.764 -2.908 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.547 13.368 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.098 12.217 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.515 10.750 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.143 13.249 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.272 11.312 -5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.525 13.760 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.663 11.837 -5.325 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.796 13.059 -3.518 1.00 0.00 H new ATOM 154 N PHE A 13 -1.173 10.717 -0.239 1.00 0.00 N ATOM 155 CA PHE A 13 -1.656 10.300 1.116 1.00 0.00 C ATOM 156 C PHE A 13 -1.146 11.204 2.260 1.00 0.00 C ATOM 157 O PHE A 13 -1.921 11.683 3.064 1.00 0.00 O ATOM 158 CB PHE A 13 -1.221 8.840 1.378 1.00 0.00 C ATOM 159 CG PHE A 13 -2.063 8.297 2.553 1.00 0.00 C ATOM 160 CD1 PHE A 13 -1.777 8.631 3.866 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.143 7.469 2.295 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.554 8.147 4.899 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.921 6.986 3.326 1.00 0.00 C ATOM 164 CZ PHE A 13 -3.629 7.324 4.631 1.00 0.00 C ATOM 0 H PHE A 13 -0.860 9.951 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.742 10.394 1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.373 8.231 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.159 8.796 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.939 9.276 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.378 7.199 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.320 8.413 5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.761 6.342 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.238 6.947 5.439 1.00 0.00 H new ATOM 174 N LEU A 14 0.146 11.429 2.300 1.00 0.00 N ATOM 175 CA LEU A 14 0.723 12.285 3.378 1.00 0.00 C ATOM 176 C LEU A 14 0.084 13.685 3.379 1.00 0.00 C ATOM 177 O LEU A 14 -0.469 14.143 4.360 1.00 0.00 O ATOM 178 CB LEU A 14 2.275 12.426 3.178 1.00 0.00 C ATOM 179 CG LEU A 14 3.154 11.101 3.138 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.781 10.021 4.180 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.274 10.447 1.739 1.00 0.00 C ATOM 0 H LEU A 14 0.822 11.057 1.633 1.00 0.00 H new ATOM 0 HA LEU A 14 0.514 11.805 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.442 12.964 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.658 13.055 3.982 1.00 0.00 H new ATOM 0 HG LEU A 14 4.132 11.494 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.441 9.161 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.890 10.431 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.748 9.708 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.890 9.551 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.282 10.178 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.734 11.152 1.046 1.00 0.00 H new ATOM 193 N PHE A 15 0.179 14.320 2.248 1.00 0.00 N ATOM 194 CA PHE A 15 -0.381 15.692 2.070 1.00 0.00 C ATOM 195 C PHE A 15 -1.921 15.751 2.358 1.00 0.00 C ATOM 196 O PHE A 15 -2.414 16.632 3.047 1.00 0.00 O ATOM 197 CB PHE A 15 0.096 16.069 0.609 1.00 0.00 C ATOM 198 CG PHE A 15 -0.901 16.652 -0.406 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.971 15.905 -0.866 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.696 17.931 -0.907 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.821 16.417 -1.808 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.552 18.444 -1.855 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.613 17.685 -2.304 1.00 0.00 C ATOM 0 H PHE A 15 0.632 13.939 1.417 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.028 16.434 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.910 16.787 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.519 15.168 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.136 14.911 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.135 18.523 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.654 15.828 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.393 19.438 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.284 18.087 -3.048 1.00 0.00 H new ATOM 213 N CYS A 16 -2.645 14.797 1.828 1.00 0.00 N ATOM 214 CA CYS A 16 -4.122 14.743 2.032 1.00 0.00 C ATOM 215 C CYS A 16 -4.467 14.756 3.504 1.00 0.00 C ATOM 216 O CYS A 16 -5.229 15.604 3.923 1.00 0.00 O ATOM 217 CB CYS A 16 -4.746 13.455 1.420 1.00 0.00 C ATOM 218 SG CYS A 16 -4.417 11.848 2.180 1.00 0.00 S ATOM 0 H CYS A 16 -2.268 14.043 1.254 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.528 15.623 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.827 13.593 1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.419 13.397 0.382 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.256 11.874 2.764 1.00 0.00 H new ATOM 223 N SER A 17 -3.897 13.840 4.252 1.00 0.00 N ATOM 224 CA SER A 17 -4.220 13.818 5.701 1.00 0.00 C ATOM 225 C SER A 17 -3.957 15.158 6.361 1.00 0.00 C ATOM 226 O SER A 17 -4.831 15.684 7.022 1.00 0.00 O ATOM 227 CB SER A 17 -3.395 12.741 6.381 1.00 0.00 C ATOM 228 OG SER A 17 -2.030 13.060 6.160 1.00 0.00 O ATOM 0 H SER A 17 -3.242 13.129 3.928 1.00 0.00 H new ATOM 0 HA SER A 17 -5.283 13.603 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.614 12.704 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.632 11.759 5.973 1.00 0.00 H new ATOM 0 HG SER A 17 -1.869 13.162 5.199 1.00 0.00 H new ATOM 234 N GLU A 18 -2.755 15.639 6.143 1.00 0.00 N ATOM 235 CA GLU A 18 -2.295 16.939 6.696 1.00 0.00 C ATOM 236 C GLU A 18 -3.439 17.954 6.738 1.00 0.00 C ATOM 237 O GLU A 18 -3.575 18.659 7.719 1.00 0.00 O ATOM 238 CB GLU A 18 -1.139 17.432 5.816 1.00 0.00 C ATOM 239 CG GLU A 18 -0.519 18.706 6.417 1.00 0.00 C ATOM 240 CD GLU A 18 0.711 19.104 5.580 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.511 19.416 4.415 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.788 19.070 6.154 1.00 0.00 O ATOM 0 H GLU A 18 -2.052 15.158 5.581 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.955 16.816 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.380 16.655 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.501 17.635 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.250 19.515 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.230 18.532 7.453 1.00 0.00 H new ATOM 249 N TYR A 19 -4.226 18.003 5.681 1.00 0.00 N ATOM 250 CA TYR A 19 -5.358 18.991 5.701 1.00 0.00 C ATOM 251 C TYR A 19 -6.644 18.503 5.018 1.00 0.00 C ATOM 252 O TYR A 19 -7.263 19.224 4.263 1.00 0.00 O ATOM 253 CB TYR A 19 -4.817 20.304 5.062 1.00 0.00 C ATOM 254 CG TYR A 19 -4.427 20.157 3.585 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.188 19.667 3.224 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.319 20.528 2.598 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.845 19.554 1.894 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.979 20.416 1.272 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.741 19.932 0.912 1.00 0.00 C ATOM 260 OH TYR A 19 -3.407 19.837 -0.422 1.00 0.00 O ATOM 0 H TYR A 19 -4.140 17.429 4.842 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.671 19.148 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.576 21.081 5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.947 20.641 5.626 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.484 19.371 3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.292 20.909 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.874 19.169 1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.685 20.709 0.509 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.991 18.966 -0.594 1.00 0.00 H new ATOM 270 N ARG A 20 -7.032 17.288 5.320 1.00 0.00 N ATOM 271 CA ARG A 20 -8.278 16.738 4.703 1.00 0.00 C ATOM 272 C ARG A 20 -9.496 17.232 5.513 1.00 0.00 C ATOM 273 O ARG A 20 -10.396 17.788 4.917 1.00 0.00 O ATOM 274 CB ARG A 20 -8.232 15.179 4.706 1.00 0.00 C ATOM 275 CG ARG A 20 -9.380 14.619 3.848 1.00 0.00 C ATOM 276 CD ARG A 20 -9.352 13.091 3.951 1.00 0.00 C ATOM 277 NE ARG A 20 -10.549 12.551 3.240 1.00 0.00 N ATOM 278 CZ ARG A 20 -11.505 11.983 3.926 1.00 0.00 C ATOM 279 NH1 ARG A 20 -11.218 10.989 4.721 1.00 0.00 N ATOM 280 NH2 ARG A 20 -12.718 12.440 3.786 1.00 0.00 N ATOM 0 H ARG A 20 -6.546 16.660 5.960 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.359 17.080 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.274 14.834 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.314 14.806 5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.338 15.006 4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.267 14.932 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.437 12.697 3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.359 12.781 4.996 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.620 12.625 2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.255 10.663 4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.957 10.538 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.899 13.220 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.486 12.017 4.308 1.00 0.00 H new ATOM 294 N PRO A 21 -9.531 17.065 6.823 1.00 0.00 N ATOM 295 CA PRO A 21 -10.743 17.390 7.636 1.00 0.00 C ATOM 296 C PRO A 21 -10.973 18.911 7.662 1.00 0.00 C ATOM 297 O PRO A 21 -12.018 19.393 8.056 1.00 0.00 O ATOM 298 CB PRO A 21 -10.447 16.801 9.027 1.00 0.00 C ATOM 299 CG PRO A 21 -9.296 15.795 8.750 1.00 0.00 C ATOM 300 CD PRO A 21 -8.454 16.548 7.714 1.00 0.00 C ATOM 0 HA PRO A 21 -11.663 16.971 7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.145 17.573 9.735 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.322 16.306 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.727 15.569 9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.668 14.847 8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.864 17.348 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.758 15.894 7.189 1.00 0.00 H new ATOM 308 N LYS A 22 -9.955 19.598 7.213 1.00 0.00 N ATOM 309 CA LYS A 22 -9.954 21.083 7.154 1.00 0.00 C ATOM 310 C LYS A 22 -10.688 21.586 5.906 1.00 0.00 C ATOM 311 O LYS A 22 -11.362 22.597 5.981 1.00 0.00 O ATOM 312 CB LYS A 22 -8.479 21.528 7.161 1.00 0.00 C ATOM 313 CG LYS A 22 -8.354 23.052 7.344 1.00 0.00 C ATOM 314 CD LYS A 22 -6.858 23.403 7.495 1.00 0.00 C ATOM 315 CE LYS A 22 -6.697 24.899 7.806 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.258 25.212 8.030 1.00 0.00 N ATOM 0 H LYS A 22 -9.094 19.170 6.873 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.484 21.507 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.947 21.018 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.003 21.232 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.781 23.573 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.910 23.375 8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.415 22.808 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.323 23.154 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.085 25.496 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.278 25.161 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.152 26.225 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.902 24.653 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.714 24.977 7.175 1.00 0.00 H new ATOM 330 N ILE A 23 -10.583 20.888 4.800 1.00 0.00 N ATOM 331 CA ILE A 23 -11.292 21.381 3.578 1.00 0.00 C ATOM 332 C ILE A 23 -12.679 20.770 3.593 1.00 0.00 C ATOM 333 O ILE A 23 -13.652 21.381 3.204 1.00 0.00 O ATOM 334 CB ILE A 23 -10.505 20.959 2.293 1.00 0.00 C ATOM 335 CG1 ILE A 23 -10.040 19.470 2.328 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.279 21.897 2.172 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.604 19.031 0.914 1.00 0.00 C ATOM 0 H ILE A 23 -10.053 20.023 4.691 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.359 22.469 3.572 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.166 21.048 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.212 19.353 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.850 18.834 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.704 21.632 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.618 22.930 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.651 21.790 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.279 17.991 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.444 19.132 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.780 19.660 0.576 1.00 0.00 H new ATOM 349 N LYS A 24 -12.698 19.561 4.068 1.00 0.00 N ATOM 350 CA LYS A 24 -13.932 18.753 4.193 1.00 0.00 C ATOM 351 C LYS A 24 -14.869 19.436 5.201 1.00 0.00 C ATOM 352 O LYS A 24 -16.074 19.288 5.143 1.00 0.00 O ATOM 353 CB LYS A 24 -13.451 17.387 4.636 1.00 0.00 C ATOM 354 CG LYS A 24 -14.636 16.379 4.728 1.00 0.00 C ATOM 355 CD LYS A 24 -14.999 16.095 6.214 1.00 0.00 C ATOM 356 CE LYS A 24 -13.934 15.157 6.829 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.985 13.802 6.206 1.00 0.00 N ATOM 0 H LYS A 24 -11.860 19.078 4.391 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.509 18.659 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.706 17.014 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.961 17.467 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.504 16.782 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.368 15.448 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.045 17.029 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.986 15.636 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.942 15.587 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.097 15.073 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.271 13.102 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.675 13.804 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.045 13.555 5.836 1.00 0.00 H new ATOM 371 N GLY A 25 -14.254 20.172 6.095 1.00 0.00 N ATOM 372 CA GLY A 25 -15.003 20.907 7.153 1.00 0.00 C ATOM 373 C GLY A 25 -15.606 22.180 6.557 1.00 0.00 C ATOM 374 O GLY A 25 -16.751 22.500 6.807 1.00 0.00 O ATOM 0 H GLY A 25 -13.242 20.294 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.791 20.275 7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.336 21.159 7.978 1.00 0.00 H new ATOM 378 N GLU A 26 -14.801 22.866 5.788 1.00 0.00 N ATOM 379 CA GLU A 26 -15.242 24.130 5.130 1.00 0.00 C ATOM 380 C GLU A 26 -16.331 23.891 4.075 1.00 0.00 C ATOM 381 O GLU A 26 -17.306 24.615 4.012 1.00 0.00 O ATOM 382 CB GLU A 26 -14.027 24.773 4.460 1.00 0.00 C ATOM 383 CG GLU A 26 -13.009 25.175 5.537 1.00 0.00 C ATOM 384 CD GLU A 26 -13.519 26.394 6.329 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.642 27.439 5.710 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.759 26.212 7.511 1.00 0.00 O ATOM 0 H GLU A 26 -13.838 22.597 5.585 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.667 24.781 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.573 24.075 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.333 25.649 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.838 24.339 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.052 25.410 5.072 1.00 0.00 H new ATOM 393 N HIS A 27 -16.109 22.874 3.285 1.00 0.00 N ATOM 394 CA HIS A 27 -17.041 22.479 2.193 1.00 0.00 C ATOM 395 C HIS A 27 -17.595 21.061 2.397 1.00 0.00 C ATOM 396 O HIS A 27 -17.144 20.124 1.766 1.00 0.00 O ATOM 397 CB HIS A 27 -16.262 22.588 0.870 1.00 0.00 C ATOM 398 CG HIS A 27 -15.576 23.962 0.837 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.176 25.102 0.737 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.232 24.285 0.916 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.301 26.055 0.750 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.079 25.592 0.859 1.00 0.00 N ATOM 0 H HIS A 27 -15.284 22.278 3.358 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.908 23.139 2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.523 21.791 0.796 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.936 22.478 0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.428 23.571 1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.547 27.104 0.680 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.209 26.123 0.892 1.00 0.00 H new ATOM 410 N PRO A 28 -18.567 20.937 3.272 1.00 0.00 N ATOM 411 CA PRO A 28 -19.389 19.701 3.415 1.00 0.00 C ATOM 412 C PRO A 28 -20.442 19.650 2.283 1.00 0.00 C ATOM 413 O PRO A 28 -21.620 19.436 2.498 1.00 0.00 O ATOM 414 CB PRO A 28 -19.969 19.841 4.817 1.00 0.00 C ATOM 415 CG PRO A 28 -20.241 21.366 4.897 1.00 0.00 C ATOM 416 CD PRO A 28 -18.975 21.982 4.248 1.00 0.00 C ATOM 0 HA PRO A 28 -18.848 18.760 3.317 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.880 19.256 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -19.269 19.510 5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -21.146 21.643 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.369 21.699 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.192 22.931 3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -18.195 22.175 4.985 1.00 0.00 H new ATOM 424 N GLY A 29 -19.928 19.859 1.100 1.00 0.00 N ATOM 425 CA GLY A 29 -20.698 19.865 -0.171 1.00 0.00 C ATOM 426 C GLY A 29 -20.067 18.774 -1.039 1.00 0.00 C ATOM 427 O GLY A 29 -20.730 18.144 -1.840 1.00 0.00 O ATOM 0 H GLY A 29 -18.933 20.038 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.754 19.661 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.640 20.837 -0.660 1.00 0.00 H new ATOM 431 N LEU A 30 -18.781 18.600 -0.837 1.00 0.00 N ATOM 432 CA LEU A 30 -17.986 17.590 -1.576 1.00 0.00 C ATOM 433 C LEU A 30 -18.355 16.194 -1.027 1.00 0.00 C ATOM 434 O LEU A 30 -19.082 16.045 -0.065 1.00 0.00 O ATOM 435 CB LEU A 30 -16.485 17.860 -1.333 1.00 0.00 C ATOM 436 CG LEU A 30 -16.070 19.319 -1.641 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.602 19.539 -1.213 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.193 19.652 -3.138 1.00 0.00 C ATOM 0 H LEU A 30 -18.239 19.141 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.194 17.640 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.245 17.632 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.896 17.183 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.743 19.972 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.310 20.566 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.503 19.352 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.956 18.854 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.891 20.686 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.548 18.987 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.227 19.519 -3.457 1.00 0.00 H new ATOM 450 N SER A 31 -17.811 15.222 -1.699 1.00 0.00 N ATOM 451 CA SER A 31 -17.989 13.783 -1.387 1.00 0.00 C ATOM 452 C SER A 31 -16.574 13.259 -1.174 1.00 0.00 C ATOM 453 O SER A 31 -15.612 13.976 -1.357 1.00 0.00 O ATOM 454 CB SER A 31 -18.626 13.063 -2.579 1.00 0.00 C ATOM 455 OG SER A 31 -18.859 11.738 -2.123 1.00 0.00 O ATOM 0 H SER A 31 -17.210 15.384 -2.507 1.00 0.00 H new ATOM 0 HA SER A 31 -18.633 13.624 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.555 13.546 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.965 13.072 -3.446 1.00 0.00 H new ATOM 0 HG SER A 31 -19.272 11.213 -2.840 1.00 0.00 H new ATOM 461 N ILE A 32 -16.466 12.011 -0.810 1.00 0.00 N ATOM 462 CA ILE A 32 -15.123 11.395 -0.582 1.00 0.00 C ATOM 463 C ILE A 32 -14.448 11.195 -1.965 1.00 0.00 C ATOM 464 O ILE A 32 -13.336 10.723 -2.085 1.00 0.00 O ATOM 465 CB ILE A 32 -15.406 10.079 0.165 1.00 0.00 C ATOM 466 CG1 ILE A 32 -14.263 9.633 1.101 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.812 8.934 -0.809 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.905 9.428 0.411 1.00 0.00 C ATOM 0 H ILE A 32 -17.256 11.384 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.437 12.001 0.010 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.257 10.296 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.146 10.378 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.553 8.701 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.003 8.024 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.714 9.220 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.004 8.756 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.166 9.116 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.999 8.660 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.586 10.363 -0.049 1.00 0.00 H new ATOM 480 N GLY A 33 -15.183 11.575 -2.976 1.00 0.00 N ATOM 481 CA GLY A 33 -14.716 11.470 -4.390 1.00 0.00 C ATOM 482 C GLY A 33 -14.455 12.855 -4.997 1.00 0.00 C ATOM 483 O GLY A 33 -13.968 12.951 -6.105 1.00 0.00 O ATOM 0 H GLY A 33 -16.119 11.967 -2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.803 10.875 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.464 10.946 -4.984 1.00 0.00 H new ATOM 487 N ASP A 34 -14.776 13.888 -4.256 1.00 0.00 N ATOM 488 CA ASP A 34 -14.577 15.294 -4.725 1.00 0.00 C ATOM 489 C ASP A 34 -13.456 15.841 -3.878 1.00 0.00 C ATOM 490 O ASP A 34 -12.533 16.436 -4.389 1.00 0.00 O ATOM 491 CB ASP A 34 -15.860 16.101 -4.503 1.00 0.00 C ATOM 492 CG ASP A 34 -16.975 15.606 -5.440 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.342 14.451 -5.300 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.398 16.414 -6.247 1.00 0.00 O ATOM 0 H ASP A 34 -15.178 13.812 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.340 15.347 -5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.181 16.008 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.668 17.159 -4.684 1.00 0.00 H new ATOM 499 N VAL A 35 -13.569 15.622 -2.593 1.00 0.00 N ATOM 500 CA VAL A 35 -12.526 16.092 -1.636 1.00 0.00 C ATOM 501 C VAL A 35 -11.226 15.470 -2.136 1.00 0.00 C ATOM 502 O VAL A 35 -10.177 16.070 -2.062 1.00 0.00 O ATOM 503 CB VAL A 35 -12.853 15.573 -0.211 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.686 15.878 0.752 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.107 16.270 0.336 1.00 0.00 C ATOM 0 H VAL A 35 -14.352 15.130 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.467 17.179 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.017 14.497 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.930 15.508 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.781 15.387 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.522 16.955 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.324 15.896 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.935 17.346 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.953 16.064 -0.320 1.00 0.00 H new ATOM 515 N ALA A 36 -11.400 14.274 -2.639 1.00 0.00 N ATOM 516 CA ALA A 36 -10.307 13.441 -3.190 1.00 0.00 C ATOM 517 C ALA A 36 -9.914 13.855 -4.599 1.00 0.00 C ATOM 518 O ALA A 36 -8.738 13.976 -4.862 1.00 0.00 O ATOM 519 CB ALA A 36 -10.789 12.006 -3.172 1.00 0.00 C ATOM 0 H ALA A 36 -12.314 13.824 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.412 13.568 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.011 11.356 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.017 11.712 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.687 11.916 -3.784 1.00 0.00 H new ATOM 525 N LYS A 37 -10.858 14.061 -5.483 1.00 0.00 N ATOM 526 CA LYS A 37 -10.456 14.470 -6.863 1.00 0.00 C ATOM 527 C LYS A 37 -10.080 15.956 -6.939 1.00 0.00 C ATOM 528 O LYS A 37 -9.559 16.398 -7.941 1.00 0.00 O ATOM 529 CB LYS A 37 -11.611 14.206 -7.851 1.00 0.00 C ATOM 530 CG LYS A 37 -11.699 12.703 -8.182 1.00 0.00 C ATOM 531 CD LYS A 37 -12.837 12.500 -9.206 1.00 0.00 C ATOM 532 CE LYS A 37 -12.848 11.043 -9.701 1.00 0.00 C ATOM 533 NZ LYS A 37 -13.958 10.852 -10.679 1.00 0.00 N ATOM 0 H LYS A 37 -11.860 13.967 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.581 13.877 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.552 14.546 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.454 14.778 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.753 12.348 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.893 12.126 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.796 12.744 -8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.704 13.178 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.893 10.800 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.972 10.363 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.962 9.866 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.866 11.066 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.821 11.490 -11.489 1.00 0.00 H new ATOM 547 N LYS A 38 -10.316 16.689 -5.882 1.00 0.00 N ATOM 548 CA LYS A 38 -9.991 18.141 -5.885 1.00 0.00 C ATOM 549 C LYS A 38 -8.575 18.148 -5.362 1.00 0.00 C ATOM 550 O LYS A 38 -7.653 18.589 -6.013 1.00 0.00 O ATOM 551 CB LYS A 38 -10.967 18.869 -4.934 1.00 0.00 C ATOM 552 CG LYS A 38 -10.682 20.377 -4.893 1.00 0.00 C ATOM 553 CD LYS A 38 -11.707 21.033 -3.937 1.00 0.00 C ATOM 554 CE LYS A 38 -11.505 22.560 -3.922 1.00 0.00 C ATOM 555 NZ LYS A 38 -10.151 22.906 -3.403 1.00 0.00 N ATOM 0 H LYS A 38 -10.722 16.340 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.079 18.641 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.993 18.699 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.880 18.452 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.665 20.563 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.763 20.807 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.721 20.794 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.588 20.631 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.627 22.958 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.269 23.027 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.110 23.924 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.963 22.365 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.434 22.671 -4.119 1.00 0.00 H new ATOM 569 N LEU A 39 -8.466 17.628 -4.177 1.00 0.00 N ATOM 570 CA LEU A 39 -7.160 17.535 -3.488 1.00 0.00 C ATOM 571 C LEU A 39 -6.158 16.792 -4.399 1.00 0.00 C ATOM 572 O LEU A 39 -5.043 17.222 -4.605 1.00 0.00 O ATOM 573 CB LEU A 39 -7.480 16.817 -2.193 1.00 0.00 C ATOM 574 CG LEU A 39 -6.259 16.414 -1.468 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.482 17.623 -0.902 1.00 0.00 C ATOM 576 CD2 LEU A 39 -6.672 15.527 -0.299 1.00 0.00 C ATOM 0 H LEU A 39 -9.251 17.254 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.683 18.491 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.081 17.467 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.083 15.934 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.607 15.895 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.593 17.271 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.185 18.280 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.118 18.172 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.785 15.216 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.335 16.083 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.192 14.646 -0.676 1.00 0.00 H new ATOM 588 N GLY A 40 -6.606 15.685 -4.928 1.00 0.00 N ATOM 589 CA GLY A 40 -5.757 14.855 -5.828 1.00 0.00 C ATOM 590 C GLY A 40 -5.241 15.652 -7.009 1.00 0.00 C ATOM 591 O GLY A 40 -4.066 15.602 -7.316 1.00 0.00 O ATOM 0 H GLY A 40 -7.543 15.315 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.915 14.454 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.334 14.003 -6.189 1.00 0.00 H new ATOM 595 N GLU A 41 -6.115 16.381 -7.654 1.00 0.00 N ATOM 596 CA GLU A 41 -5.630 17.178 -8.820 1.00 0.00 C ATOM 597 C GLU A 41 -4.543 18.142 -8.344 1.00 0.00 C ATOM 598 O GLU A 41 -3.479 18.204 -8.925 1.00 0.00 O ATOM 599 CB GLU A 41 -6.774 17.968 -9.417 1.00 0.00 C ATOM 600 CG GLU A 41 -7.676 17.021 -10.232 1.00 0.00 C ATOM 601 CD GLU A 41 -8.874 17.802 -10.808 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.616 18.690 -11.607 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.984 17.476 -10.424 1.00 0.00 O ATOM 0 H GLU A 41 -7.108 16.459 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.228 16.506 -9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.351 18.448 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.388 18.762 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.104 16.567 -11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.031 16.209 -9.598 1.00 0.00 H new ATOM 610 N MET A 42 -4.858 18.855 -7.290 1.00 0.00 N ATOM 611 CA MET A 42 -3.899 19.843 -6.704 1.00 0.00 C ATOM 612 C MET A 42 -2.537 19.185 -6.473 1.00 0.00 C ATOM 613 O MET A 42 -1.516 19.741 -6.818 1.00 0.00 O ATOM 614 CB MET A 42 -4.441 20.325 -5.397 1.00 0.00 C ATOM 615 CG MET A 42 -5.792 21.050 -5.587 1.00 0.00 C ATOM 616 SD MET A 42 -5.787 22.726 -6.277 1.00 0.00 S ATOM 617 CE MET A 42 -7.079 22.492 -7.528 1.00 0.00 C ATOM 0 H MET A 42 -5.753 18.793 -6.804 1.00 0.00 H new ATOM 0 HA MET A 42 -3.776 20.678 -7.393 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.570 19.481 -4.720 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.725 21.001 -4.930 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.414 20.428 -6.232 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.284 21.093 -4.615 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.231 23.424 -8.073 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.774 21.710 -8.224 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.009 22.201 -7.040 1.00 0.00 H new ATOM 627 N TRP A 43 -2.585 18.021 -5.873 1.00 0.00 N ATOM 628 CA TRP A 43 -1.370 17.214 -5.574 1.00 0.00 C ATOM 629 C TRP A 43 -0.536 17.096 -6.833 1.00 0.00 C ATOM 630 O TRP A 43 0.644 17.382 -6.825 1.00 0.00 O ATOM 631 CB TRP A 43 -1.794 15.811 -5.078 1.00 0.00 C ATOM 632 CG TRP A 43 -0.595 14.868 -5.141 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.423 13.921 -6.094 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.452 14.848 -4.296 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.727 13.383 -5.761 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.341 13.865 -4.695 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.729 15.617 -3.179 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.508 13.643 -3.976 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.897 15.397 -2.450 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.790 14.411 -2.850 1.00 0.00 C ATOM 0 H TRP A 43 -3.455 17.584 -5.568 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.780 17.698 -4.796 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.169 15.872 -4.057 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.607 15.426 -5.694 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.071 13.671 -6.921 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.132 12.621 -6.305 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.039 16.389 -2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.198 12.874 -4.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.107 15.993 -1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.698 14.241 -2.290 1.00 0.00 H new ATOM 651 N ASN A 44 -1.207 16.693 -7.882 1.00 0.00 N ATOM 652 CA ASN A 44 -0.486 16.526 -9.185 1.00 0.00 C ATOM 653 C ASN A 44 0.195 17.823 -9.650 1.00 0.00 C ATOM 654 O ASN A 44 1.061 17.794 -10.504 1.00 0.00 O ATOM 655 CB ASN A 44 -1.488 16.018 -10.257 1.00 0.00 C ATOM 656 CG ASN A 44 -2.017 14.658 -9.777 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.303 14.466 -9.663 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.259 13.749 -9.499 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.203 16.475 -7.897 1.00 0.00 H new ATOM 0 HA ASN A 44 0.309 15.795 -9.041 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.307 16.726 -10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.998 15.920 -11.226 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.251 13.882 -9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.631 12.854 -9.182 1.00 0.00 H new ATOM 665 N ASN A 45 -0.242 18.911 -9.064 1.00 0.00 N ATOM 666 CA ASN A 45 0.310 20.264 -9.388 1.00 0.00 C ATOM 667 C ASN A 45 0.716 21.018 -8.090 1.00 0.00 C ATOM 668 O ASN A 45 0.591 22.229 -8.049 1.00 0.00 O ATOM 669 CB ASN A 45 -0.767 21.086 -10.135 1.00 0.00 C ATOM 670 CG ASN A 45 -1.586 20.172 -11.045 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.833 19.973 -10.717 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.110 19.641 -12.029 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.977 18.917 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 45 1.194 20.141 -10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.422 21.579 -9.417 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.293 21.870 -10.725 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.134 19.805 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.687 19.032 -12.609 1.00 0.00 H new ATOM 679 N THR A 46 1.197 20.334 -7.069 1.00 0.00 N ATOM 680 CA THR A 46 1.576 21.087 -5.822 1.00 0.00 C ATOM 681 C THR A 46 2.811 21.937 -6.117 1.00 0.00 C ATOM 682 O THR A 46 2.898 23.076 -5.701 1.00 0.00 O ATOM 683 CB THR A 46 1.855 20.076 -4.639 1.00 0.00 C ATOM 684 OG1 THR A 46 2.263 20.911 -3.561 1.00 0.00 O ATOM 685 CG2 THR A 46 3.015 19.081 -4.841 1.00 0.00 C ATOM 0 H THR A 46 1.339 19.324 -7.043 1.00 0.00 H new ATOM 0 HA THR A 46 0.757 21.739 -5.517 1.00 0.00 H new ATOM 0 HB THR A 46 0.957 19.471 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.777 20.383 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.105 18.443 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.817 18.464 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.945 19.631 -4.987 1.00 0.00 H new ATOM 693 N ALA A 47 3.717 21.332 -6.833 1.00 0.00 N ATOM 694 CA ALA A 47 4.993 21.989 -7.232 1.00 0.00 C ATOM 695 C ALA A 47 5.816 20.946 -7.971 1.00 0.00 C ATOM 696 O ALA A 47 6.295 21.201 -9.057 1.00 0.00 O ATOM 697 CB ALA A 47 5.808 22.460 -6.003 1.00 0.00 C ATOM 0 H ALA A 47 3.621 20.374 -7.170 1.00 0.00 H new ATOM 0 HA ALA A 47 4.769 22.863 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.731 22.934 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.220 23.176 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.048 21.602 -5.375 1.00 0.00 H new ATOM 703 N ALA A 48 5.916 19.817 -7.309 1.00 0.00 N ATOM 704 CA ALA A 48 6.666 18.593 -7.747 1.00 0.00 C ATOM 705 C ALA A 48 7.910 18.615 -6.854 1.00 0.00 C ATOM 706 O ALA A 48 8.481 17.597 -6.512 1.00 0.00 O ATOM 707 CB ALA A 48 7.117 18.647 -9.221 1.00 0.00 C ATOM 0 H ALA A 48 5.466 19.689 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 48 6.043 17.702 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.653 17.731 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.243 18.744 -9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.774 19.504 -9.369 1.00 0.00 H new ATOM 713 N ASP A 49 8.264 19.830 -6.506 1.00 0.00 N ATOM 714 CA ASP A 49 9.432 20.111 -5.641 1.00 0.00 C ATOM 715 C ASP A 49 8.895 20.279 -4.201 1.00 0.00 C ATOM 716 O ASP A 49 9.617 20.673 -3.306 1.00 0.00 O ATOM 717 CB ASP A 49 10.102 21.411 -6.140 1.00 0.00 C ATOM 718 CG ASP A 49 10.480 21.377 -7.644 1.00 0.00 C ATOM 719 OD1 ASP A 49 10.278 20.363 -8.297 1.00 0.00 O ATOM 720 OD2 ASP A 49 10.970 22.411 -8.068 1.00 0.00 O ATOM 0 H ASP A 49 7.762 20.666 -6.805 1.00 0.00 H new ATOM 0 HA ASP A 49 10.172 19.311 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.428 22.249 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.001 21.595 -5.552 1.00 0.00 H new ATOM 725 N ASP A 50 7.629 19.964 -4.048 1.00 0.00 N ATOM 726 CA ASP A 50 6.910 20.047 -2.739 1.00 0.00 C ATOM 727 C ASP A 50 6.424 18.627 -2.420 1.00 0.00 C ATOM 728 O ASP A 50 6.027 18.329 -1.312 1.00 0.00 O ATOM 729 CB ASP A 50 5.734 21.036 -2.888 1.00 0.00 C ATOM 730 CG ASP A 50 4.884 21.123 -1.605 1.00 0.00 C ATOM 731 OD1 ASP A 50 4.086 20.221 -1.401 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.081 22.090 -0.891 1.00 0.00 O ATOM 0 H ASP A 50 7.041 19.638 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 50 7.544 20.408 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.121 22.025 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.103 20.725 -3.720 1.00 0.00 H new ATOM 737 N LYS A 51 6.476 17.781 -3.420 1.00 0.00 N ATOM 738 CA LYS A 51 6.037 16.375 -3.252 1.00 0.00 C ATOM 739 C LYS A 51 7.225 15.688 -2.614 1.00 0.00 C ATOM 740 O LYS A 51 7.053 15.084 -1.585 1.00 0.00 O ATOM 741 CB LYS A 51 5.765 15.702 -4.590 1.00 0.00 C ATOM 742 CG LYS A 51 4.608 16.369 -5.328 1.00 0.00 C ATOM 743 CD LYS A 51 4.449 15.601 -6.638 1.00 0.00 C ATOM 744 CE LYS A 51 3.303 16.140 -7.492 1.00 0.00 C ATOM 745 NZ LYS A 51 3.467 17.590 -7.823 1.00 0.00 N ATOM 0 H LYS A 51 6.810 18.015 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 51 5.117 16.322 -2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.662 15.742 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.536 14.649 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.693 16.328 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.819 17.422 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.379 15.657 -7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.272 14.548 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.241 15.565 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.361 15.996 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.535 18.052 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.073 18.043 -7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.907 17.684 -8.761 1.00 0.00 H new ATOM 759 N GLN A 52 8.370 15.794 -3.248 1.00 0.00 N ATOM 760 CA GLN A 52 9.650 15.180 -2.753 1.00 0.00 C ATOM 761 C GLN A 52 9.672 14.836 -1.237 1.00 0.00 C ATOM 762 O GLN A 52 9.834 13.679 -0.920 1.00 0.00 O ATOM 763 CB GLN A 52 10.810 16.162 -3.118 1.00 0.00 C ATOM 764 CG GLN A 52 11.949 15.415 -3.859 1.00 0.00 C ATOM 765 CD GLN A 52 11.503 14.863 -5.231 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.288 15.059 -5.675 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.275 14.234 -5.926 1.00 0.00 N flip ATOM 0 H GLN A 52 8.474 16.303 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 52 9.763 14.213 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.428 16.967 -3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.201 16.624 -2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.791 16.093 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.303 14.592 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.229 14.066 -5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.970 13.874 -6.830 1.00 0.00 H new ATOM 776 N PRO A 53 9.507 15.794 -0.343 1.00 0.00 N ATOM 777 CA PRO A 53 9.432 15.550 1.136 1.00 0.00 C ATOM 778 C PRO A 53 8.509 14.394 1.542 1.00 0.00 C ATOM 779 O PRO A 53 8.856 13.547 2.340 1.00 0.00 O ATOM 780 CB PRO A 53 8.990 16.900 1.713 1.00 0.00 C ATOM 781 CG PRO A 53 8.364 17.623 0.500 1.00 0.00 C ATOM 782 CD PRO A 53 9.331 17.245 -0.623 1.00 0.00 C ATOM 0 HA PRO A 53 10.393 15.219 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.269 16.775 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.833 17.457 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.349 17.280 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.312 18.702 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.912 17.430 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.270 17.796 -0.566 1.00 0.00 H new ATOM 790 N TYR A 54 7.344 14.423 0.951 1.00 0.00 N ATOM 791 CA TYR A 54 6.295 13.385 1.210 1.00 0.00 C ATOM 792 C TYR A 54 6.624 12.140 0.387 1.00 0.00 C ATOM 793 O TYR A 54 6.696 11.038 0.896 1.00 0.00 O ATOM 794 CB TYR A 54 4.913 13.909 0.780 1.00 0.00 C ATOM 795 CG TYR A 54 4.495 15.149 1.584 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.349 15.091 2.959 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.251 16.341 0.936 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.964 16.209 3.669 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.868 17.458 1.646 1.00 0.00 C ATOM 800 CZ TYR A 54 3.720 17.402 3.017 1.00 0.00 C ATOM 801 OH TYR A 54 3.333 18.527 3.714 1.00 0.00 O ATOM 0 H TYR A 54 7.066 15.141 0.282 1.00 0.00 H new ATOM 0 HA TYR A 54 6.276 13.150 2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.932 14.154 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.169 13.123 0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.538 14.164 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.361 16.400 -0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.853 16.151 4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.682 18.386 1.125 1.00 0.00 H new ATOM 0 HH TYR A 54 3.029 18.269 4.609 1.00 0.00 H new ATOM 811 N GLU A 55 6.806 12.371 -0.884 1.00 0.00 N ATOM 812 CA GLU A 55 7.135 11.284 -1.844 1.00 0.00 C ATOM 813 C GLU A 55 8.233 10.336 -1.358 1.00 0.00 C ATOM 814 O GLU A 55 8.051 9.140 -1.423 1.00 0.00 O ATOM 815 CB GLU A 55 7.545 11.939 -3.184 1.00 0.00 C ATOM 816 CG GLU A 55 6.626 11.407 -4.303 1.00 0.00 C ATOM 817 CD GLU A 55 7.014 12.059 -5.643 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.131 11.813 -6.072 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.172 12.770 -6.166 1.00 0.00 O ATOM 0 H GLU A 55 6.738 13.297 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 55 6.248 10.661 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.464 13.024 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.586 11.711 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.714 10.323 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.585 11.627 -4.068 1.00 0.00 H new ATOM 826 N LYS A 56 9.336 10.874 -0.896 1.00 0.00 N ATOM 827 CA LYS A 56 10.463 10.027 -0.398 1.00 0.00 C ATOM 828 C LYS A 56 9.948 8.899 0.505 1.00 0.00 C ATOM 829 O LYS A 56 10.450 7.795 0.445 1.00 0.00 O ATOM 830 CB LYS A 56 11.488 10.921 0.381 1.00 0.00 C ATOM 831 CG LYS A 56 11.100 11.159 1.861 1.00 0.00 C ATOM 832 CD LYS A 56 12.123 12.125 2.496 1.00 0.00 C ATOM 833 CE LYS A 56 11.910 12.192 4.021 1.00 0.00 C ATOM 834 NZ LYS A 56 12.208 10.870 4.646 1.00 0.00 N ATOM 0 H LYS A 56 9.504 11.879 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 56 10.959 9.570 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.471 10.451 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.575 11.884 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.096 11.578 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.086 10.214 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.137 11.790 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.015 13.119 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.554 12.959 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.882 12.481 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.426 11.004 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.381 10.247 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.025 10.437 4.169 1.00 0.00 H new ATOM 848 N LYS A 57 8.945 9.204 1.301 1.00 0.00 N ATOM 849 CA LYS A 57 8.404 8.145 2.207 1.00 0.00 C ATOM 850 C LYS A 57 7.637 7.153 1.340 1.00 0.00 C ATOM 851 O LYS A 57 7.952 5.981 1.336 1.00 0.00 O ATOM 852 CB LYS A 57 7.438 8.740 3.259 1.00 0.00 C ATOM 853 CG LYS A 57 8.217 9.401 4.415 1.00 0.00 C ATOM 854 CD LYS A 57 7.208 9.723 5.542 1.00 0.00 C ATOM 855 CE LYS A 57 7.952 10.187 6.804 1.00 0.00 C ATOM 856 NZ LYS A 57 6.979 10.400 7.914 1.00 0.00 N ATOM 0 H LYS A 57 8.491 10.115 1.360 1.00 0.00 H new ATOM 0 HA LYS A 57 9.228 7.669 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.788 9.476 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.794 7.953 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.998 8.734 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.710 10.311 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.518 10.500 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.610 8.840 5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.693 9.442 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.493 11.111 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.487 10.714 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.288 11.126 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.482 9.509 8.116 1.00 0.00 H new ATOM 870 N ALA A 58 6.652 7.656 0.637 1.00 0.00 N ATOM 871 CA ALA A 58 5.816 6.796 -0.264 1.00 0.00 C ATOM 872 C ALA A 58 6.686 5.773 -1.016 1.00 0.00 C ATOM 873 O ALA A 58 6.407 4.591 -1.015 1.00 0.00 O ATOM 874 CB ALA A 58 5.080 7.690 -1.271 1.00 0.00 C ATOM 0 H ALA A 58 6.386 8.641 0.648 1.00 0.00 H new ATOM 0 HA ALA A 58 5.097 6.247 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.470 7.071 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.439 8.391 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.807 8.244 -1.865 1.00 0.00 H new ATOM 880 N ALA A 59 7.725 6.290 -1.627 1.00 0.00 N ATOM 881 CA ALA A 59 8.689 5.459 -2.405 1.00 0.00 C ATOM 882 C ALA A 59 9.264 4.358 -1.503 1.00 0.00 C ATOM 883 O ALA A 59 9.109 3.188 -1.781 1.00 0.00 O ATOM 884 CB ALA A 59 9.815 6.370 -2.925 1.00 0.00 C ATOM 0 H ALA A 59 7.948 7.285 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 59 8.186 4.987 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.529 5.776 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.391 7.143 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.324 6.837 -2.082 1.00 0.00 H new ATOM 890 N LYS A 60 9.911 4.783 -0.447 1.00 0.00 N ATOM 891 CA LYS A 60 10.544 3.875 0.552 1.00 0.00 C ATOM 892 C LYS A 60 9.591 2.718 0.857 1.00 0.00 C ATOM 893 O LYS A 60 9.975 1.568 0.792 1.00 0.00 O ATOM 894 CB LYS A 60 10.852 4.716 1.817 1.00 0.00 C ATOM 895 CG LYS A 60 12.114 4.223 2.573 1.00 0.00 C ATOM 896 CD LYS A 60 13.373 4.397 1.671 1.00 0.00 C ATOM 897 CE LYS A 60 14.645 4.595 2.526 1.00 0.00 C ATOM 898 NZ LYS A 60 14.868 3.447 3.451 1.00 0.00 N ATOM 0 H LYS A 60 10.030 5.773 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 60 11.471 3.443 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.990 5.759 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.994 4.681 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.238 4.786 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.997 3.176 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.492 3.521 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.237 5.254 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.510 4.710 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.557 5.516 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.796 3.546 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.123 3.436 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.841 2.557 2.913 1.00 0.00 H new ATOM 912 N LEU A 61 8.361 3.055 1.171 1.00 0.00 N ATOM 913 CA LEU A 61 7.378 1.974 1.482 1.00 0.00 C ATOM 914 C LEU A 61 7.131 1.117 0.244 1.00 0.00 C ATOM 915 O LEU A 61 7.396 -0.063 0.310 1.00 0.00 O ATOM 916 CB LEU A 61 6.097 2.637 1.979 1.00 0.00 C ATOM 917 CG LEU A 61 6.457 3.582 3.166 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.171 3.993 3.854 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.452 2.931 4.179 1.00 0.00 C ATOM 0 H LEU A 61 8.004 4.009 1.224 1.00 0.00 H new ATOM 0 HA LEU A 61 7.761 1.309 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.626 3.202 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.380 1.882 2.300 1.00 0.00 H new ATOM 0 HG LEU A 61 6.972 4.457 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.401 4.655 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.529 4.514 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.657 3.106 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.666 3.635 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.007 2.028 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.379 2.675 3.665 1.00 0.00 H new ATOM 931 N LYS A 62 6.638 1.681 -0.833 1.00 0.00 N ATOM 932 CA LYS A 62 6.380 0.893 -2.094 1.00 0.00 C ATOM 933 C LYS A 62 7.503 -0.147 -2.328 1.00 0.00 C ATOM 934 O LYS A 62 7.273 -1.305 -2.620 1.00 0.00 O ATOM 935 CB LYS A 62 6.297 1.915 -3.257 1.00 0.00 C ATOM 936 CG LYS A 62 6.239 1.220 -4.640 1.00 0.00 C ATOM 937 CD LYS A 62 5.830 2.282 -5.690 1.00 0.00 C ATOM 938 CE LYS A 62 5.995 1.749 -7.127 1.00 0.00 C ATOM 939 NZ LYS A 62 7.437 1.619 -7.481 1.00 0.00 N ATOM 0 H LYS A 62 6.398 2.670 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 62 5.449 0.330 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.413 2.539 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.162 2.577 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.208 0.789 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.520 0.401 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.793 2.576 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.439 3.177 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.505 0.780 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.503 2.423 -7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.530 1.457 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.938 2.493 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.850 0.817 -6.964 1.00 0.00 H new