USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 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 14 ASN : amide:sc= -1.71 K(o=-1.7,f=-6.5!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= -1.93 (180deg=-4.6!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.28) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.3!) USER MOD Single : A 47 CYS SG : rot 90:sc= -2.01 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0.112 (180deg=0.049) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.800 -0.215 -8.607 1.00 0.00 N ATOM 119 CA TRP A 12 -6.488 0.309 -8.241 1.00 0.00 C ATOM 120 C TRP A 12 -5.687 0.687 -9.482 1.00 0.00 C ATOM 121 O TRP A 12 -5.517 -0.124 -10.393 1.00 0.00 O ATOM 122 CB TRP A 12 -5.717 -0.721 -7.415 1.00 0.00 C ATOM 123 CG TRP A 12 -6.048 -0.679 -5.954 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.113 -1.272 -5.338 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.311 -0.008 -4.927 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.082 -1.009 -3.989 1.00 0.00 N ATOM 127 CE2 TRP A 12 -5.986 -0.236 -3.712 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.145 0.762 -4.915 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.533 0.280 -2.500 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.697 1.274 -3.712 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.389 1.030 -2.518 1.00 0.00 C ATOM 0 HA TRP A 12 -6.637 1.207 -7.641 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.930 -1.718 -7.800 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.648 -0.552 -7.543 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.868 -1.861 -5.837 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.765 -1.336 -3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.604 0.954 -5.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.066 0.095 -1.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.798 1.872 -3.692 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.012 1.442 -1.594 1.00 0.00 H new ATOM 142 N ARG A 13 -5.197 1.922 -9.512 1.00 0.00 N ATOM 143 CA ARG A 13 -4.415 2.406 -10.643 1.00 0.00 C ATOM 144 C ARG A 13 -2.922 2.367 -10.327 1.00 0.00 C ATOM 145 O ARG A 13 -2.524 2.369 -9.164 1.00 0.00 O ATOM 146 CB ARG A 13 -4.833 3.832 -11.006 1.00 0.00 C ATOM 147 CG ARG A 13 -6.321 3.980 -11.276 1.00 0.00 C ATOM 148 CD ARG A 13 -6.724 3.296 -12.572 1.00 0.00 C ATOM 149 NE ARG A 13 -6.306 4.058 -13.746 1.00 0.00 N ATOM 150 CZ ARG A 13 -6.715 3.789 -14.981 1.00 0.00 C ATOM 151 NH1 ARG A 13 -7.549 2.782 -15.202 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.291 4.528 -15.998 1.00 0.00 N ATOM 0 H ARG A 13 -5.328 2.605 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.607 1.751 -11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.551 4.502 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.279 4.151 -11.889 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.886 3.553 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.579 5.038 -11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.281 2.301 -12.609 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.806 3.165 -12.591 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.665 4.840 -13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.878 2.212 -14.423 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.862 2.578 -16.151 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.650 5.304 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.606 4.320 -16.946 1.00 0.00 H new ATOM 166 N ASN A 14 -2.102 2.331 -11.373 1.00 0.00 N ATOM 167 CA ASN A 14 -0.654 2.290 -11.207 1.00 0.00 C ATOM 168 C ASN A 14 -0.210 3.211 -10.075 1.00 0.00 C ATOM 169 O ASN A 14 0.479 2.785 -9.147 1.00 0.00 O ATOM 170 CB ASN A 14 0.040 2.693 -12.510 1.00 0.00 C ATOM 171 CG ASN A 14 -0.434 4.038 -13.026 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.628 4.338 -13.003 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.502 4.855 -13.496 1.00 0.00 N ATOM 0 H ASN A 14 -2.416 2.329 -12.344 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.371 1.269 -10.952 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.117 2.728 -12.349 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.144 1.931 -13.267 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.243 5.773 -13.857 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.480 4.564 -13.495 1.00 0.00 H new ATOM 180 N THR A 15 -0.610 4.476 -10.157 1.00 0.00 N ATOM 181 CA THR A 15 -0.253 5.458 -9.141 1.00 0.00 C ATOM 182 C THR A 15 -0.662 4.983 -7.751 1.00 0.00 C ATOM 183 O THR A 15 0.177 4.844 -6.862 1.00 0.00 O ATOM 184 CB THR A 15 -0.913 6.821 -9.420 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.314 6.647 -9.659 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.269 7.498 -10.620 1.00 0.00 C ATOM 0 H THR A 15 -1.182 4.845 -10.917 1.00 0.00 H new ATOM 0 HA THR A 15 0.830 5.573 -9.179 1.00 0.00 H new ATOM 0 HB THR A 15 -0.770 7.455 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.727 7.518 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.752 8.459 -10.798 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.791 7.655 -10.423 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.385 6.865 -11.500 1.00 0.00 H new ATOM 194 N GLU A 16 -1.956 4.737 -7.571 1.00 0.00 N ATOM 195 CA GLU A 16 -2.474 4.278 -6.288 1.00 0.00 C ATOM 196 C GLU A 16 -1.578 3.196 -5.694 1.00 0.00 C ATOM 197 O GLU A 16 -1.263 3.220 -4.504 1.00 0.00 O ATOM 198 CB GLU A 16 -3.899 3.743 -6.451 1.00 0.00 C ATOM 199 CG GLU A 16 -4.970 4.810 -6.303 1.00 0.00 C ATOM 200 CD GLU A 16 -5.469 4.943 -4.877 1.00 0.00 C ATOM 201 OE1 GLU A 16 -4.991 4.185 -4.008 1.00 0.00 O ATOM 202 OE2 GLU A 16 -6.338 5.806 -4.631 1.00 0.00 O ATOM 0 H GLU A 16 -2.664 4.848 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.488 5.128 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.994 3.279 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.072 2.962 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.571 5.768 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.809 4.570 -6.957 1.00 0.00 H new ATOM 209 N ASP A 17 -1.170 2.248 -6.532 1.00 0.00 N ATOM 210 CA ASP A 17 -0.309 1.157 -6.091 1.00 0.00 C ATOM 211 C ASP A 17 1.085 1.670 -5.746 1.00 0.00 C ATOM 212 O ASP A 17 1.626 1.361 -4.685 1.00 0.00 O ATOM 213 CB ASP A 17 -0.218 0.082 -7.175 1.00 0.00 C ATOM 214 CG ASP A 17 -1.291 -0.979 -7.031 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.477 -0.654 -7.248 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.946 -2.133 -6.701 1.00 0.00 O ATOM 0 H ASP A 17 -1.422 2.214 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.747 0.721 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.304 0.551 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.764 -0.390 -7.133 1.00 0.00 H new ATOM 221 N GLU A 18 1.662 2.455 -6.651 1.00 0.00 N ATOM 222 CA GLU A 18 2.994 3.009 -6.443 1.00 0.00 C ATOM 223 C GLU A 18 3.074 3.747 -5.110 1.00 0.00 C ATOM 224 O GLU A 18 4.020 3.563 -4.343 1.00 0.00 O ATOM 225 CB GLU A 18 3.361 3.958 -7.586 1.00 0.00 C ATOM 226 CG GLU A 18 3.822 3.243 -8.846 1.00 0.00 C ATOM 227 CD GLU A 18 5.104 2.461 -8.637 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.031 1.338 -8.094 1.00 0.00 O ATOM 229 OE2 GLU A 18 6.179 2.970 -9.015 1.00 0.00 O ATOM 0 H GLU A 18 1.228 2.721 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 18 3.704 2.182 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.496 4.577 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.151 4.630 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.038 2.565 -9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.972 3.974 -9.640 1.00 0.00 H new ATOM 236 N ILE A 19 2.077 4.583 -4.842 1.00 0.00 N ATOM 237 CA ILE A 19 2.033 5.348 -3.602 1.00 0.00 C ATOM 238 C ILE A 19 2.006 4.426 -2.388 1.00 0.00 C ATOM 239 O ILE A 19 2.781 4.599 -1.446 1.00 0.00 O ATOM 240 CB ILE A 19 0.805 6.276 -3.556 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.877 7.310 -4.681 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.712 6.964 -2.202 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.472 7.868 -5.077 1.00 0.00 C ATOM 0 H ILE A 19 1.288 4.748 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 19 2.938 5.955 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.092 5.674 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.523 8.131 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.342 6.853 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.161 7.617 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.619 6.213 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.611 7.556 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.344 8.595 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.114 7.057 -5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.931 8.355 -4.217 1.00 0.00 H new ATOM 255 N LEU A 20 1.111 3.445 -2.416 1.00 0.00 N ATOM 256 CA LEU A 20 0.983 2.493 -1.318 1.00 0.00 C ATOM 257 C LEU A 20 2.301 1.764 -1.074 1.00 0.00 C ATOM 258 O LEU A 20 2.927 1.925 -0.026 1.00 0.00 O ATOM 259 CB LEU A 20 -0.124 1.482 -1.620 1.00 0.00 C ATOM 260 CG LEU A 20 -0.514 0.550 -0.472 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.277 1.314 0.599 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.341 -0.617 -0.989 1.00 0.00 C ATOM 0 H LEU A 20 0.463 3.288 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 20 0.723 3.048 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.012 2.030 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.190 0.871 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 20 0.398 0.153 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.546 0.635 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.650 2.115 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.182 1.740 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.609 -1.269 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.248 -0.239 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.759 -1.180 -1.719 1.00 0.00 H new ATOM 274 N LYS A 21 2.718 0.964 -2.049 1.00 0.00 N ATOM 275 CA LYS A 21 3.963 0.212 -1.943 1.00 0.00 C ATOM 276 C LYS A 21 5.009 1.000 -1.161 1.00 0.00 C ATOM 277 O LYS A 21 5.592 0.493 -0.203 1.00 0.00 O ATOM 278 CB LYS A 21 4.499 -0.125 -3.336 1.00 0.00 C ATOM 279 CG LYS A 21 3.996 -1.452 -3.877 1.00 0.00 C ATOM 280 CD LYS A 21 4.307 -1.606 -5.356 1.00 0.00 C ATOM 281 CE LYS A 21 3.169 -1.088 -6.221 1.00 0.00 C ATOM 282 NZ LYS A 21 2.184 -2.158 -6.540 1.00 0.00 N ATOM 0 H LYS A 21 2.212 0.819 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 21 3.755 -0.714 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.217 0.670 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.588 -0.146 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.455 -2.270 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.920 -1.525 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.222 -1.065 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.489 -2.656 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.664 -0.271 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.574 -0.679 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.824 -2.022 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.646 -3.087 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.393 -2.113 -5.867 1.00 0.00 H new ATOM 296 N ALA A 22 5.240 2.241 -1.575 1.00 0.00 N ATOM 297 CA ALA A 22 6.213 3.100 -0.910 1.00 0.00 C ATOM 298 C ALA A 22 5.742 3.482 0.489 1.00 0.00 C ATOM 299 O ALA A 22 6.399 3.170 1.482 1.00 0.00 O ATOM 300 CB ALA A 22 6.471 4.347 -1.742 1.00 0.00 C ATOM 0 H ALA A 22 4.767 2.675 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 22 7.145 2.544 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.199 4.979 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.860 4.059 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.539 4.898 -1.870 1.00 0.00 H new ATOM 306 N ALA A 23 4.601 4.161 0.560 1.00 0.00 N ATOM 307 CA ALA A 23 4.043 4.585 1.837 1.00 0.00 C ATOM 308 C ALA A 23 4.220 3.505 2.899 1.00 0.00 C ATOM 309 O ALA A 23 4.733 3.767 3.987 1.00 0.00 O ATOM 310 CB ALA A 23 2.571 4.936 1.679 1.00 0.00 C ATOM 0 H ALA A 23 4.046 4.429 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 23 4.584 5.473 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.167 5.251 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.466 5.747 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.025 4.062 1.325 1.00 0.00 H new ATOM 316 N VAL A 24 3.791 2.288 2.577 1.00 0.00 N ATOM 317 CA VAL A 24 3.902 1.168 3.503 1.00 0.00 C ATOM 318 C VAL A 24 5.310 1.069 4.079 1.00 0.00 C ATOM 319 O VAL A 24 5.491 0.747 5.253 1.00 0.00 O ATOM 320 CB VAL A 24 3.544 -0.164 2.819 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.674 -1.320 3.798 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.139 -0.103 2.237 1.00 0.00 C ATOM 0 H VAL A 24 3.363 2.053 1.681 1.00 0.00 H new ATOM 0 HA VAL A 24 3.194 1.354 4.311 1.00 0.00 H new ATOM 0 HB VAL A 24 4.245 -0.332 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.417 -2.253 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.700 -1.375 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.999 -1.162 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.902 -1.053 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.422 0.089 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.085 0.699 1.501 1.00 0.00 H new ATOM 332 N MET A 25 6.306 1.348 3.243 1.00 0.00 N ATOM 333 CA MET A 25 7.699 1.291 3.670 1.00 0.00 C ATOM 334 C MET A 25 8.071 2.530 4.478 1.00 0.00 C ATOM 335 O MET A 25 8.875 2.459 5.408 1.00 0.00 O ATOM 336 CB MET A 25 8.622 1.164 2.456 1.00 0.00 C ATOM 337 CG MET A 25 8.380 -0.094 1.638 1.00 0.00 C ATOM 338 SD MET A 25 8.997 -1.580 2.452 1.00 0.00 S ATOM 339 CE MET A 25 7.622 -2.700 2.199 1.00 0.00 C ATOM 0 H MET A 25 6.174 1.615 2.268 1.00 0.00 H new ATOM 0 HA MET A 25 7.823 0.414 4.305 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.488 2.036 1.815 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.658 1.174 2.795 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.311 -0.203 1.453 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.863 0.010 0.666 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.852 -3.666 2.648 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.727 -2.288 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.449 -2.828 1.130 1.00 0.00 H new ATOM 349 N LYS A 26 7.481 3.665 4.118 1.00 0.00 N ATOM 350 CA LYS A 26 7.749 4.920 4.810 1.00 0.00 C ATOM 351 C LYS A 26 7.172 4.897 6.222 1.00 0.00 C ATOM 352 O LYS A 26 7.905 5.009 7.205 1.00 0.00 O ATOM 353 CB LYS A 26 7.159 6.094 4.026 1.00 0.00 C ATOM 354 CG LYS A 26 7.140 7.398 4.806 1.00 0.00 C ATOM 355 CD LYS A 26 7.068 8.600 3.880 1.00 0.00 C ATOM 356 CE LYS A 26 5.990 8.425 2.821 1.00 0.00 C ATOM 357 NZ LYS A 26 5.683 9.706 2.125 1.00 0.00 N ATOM 0 H LYS A 26 6.814 3.741 3.350 1.00 0.00 H new ATOM 0 HA LYS A 26 8.830 5.044 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.735 6.236 3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.141 5.845 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.285 7.406 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.035 7.467 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.864 9.498 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.034 8.746 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.315 7.684 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.083 8.038 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.944 9.545 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.349 10.406 2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.542 10.063 1.660 1.00 0.00 H new ATOM 371 N TYR A 27 5.855 4.749 6.316 1.00 0.00 N ATOM 372 CA TYR A 27 5.180 4.712 7.607 1.00 0.00 C ATOM 373 C TYR A 27 5.261 3.319 8.225 1.00 0.00 C ATOM 374 O TYR A 27 5.357 3.172 9.442 1.00 0.00 O ATOM 375 CB TYR A 27 3.716 5.129 7.454 1.00 0.00 C ATOM 376 CG TYR A 27 3.539 6.558 6.993 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.502 6.874 5.640 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.408 7.593 7.910 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.341 8.178 5.215 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.245 8.901 7.494 1.00 0.00 C ATOM 381 CZ TYR A 27 3.213 9.188 6.146 1.00 0.00 C ATOM 382 OH TYR A 27 3.051 10.488 5.726 1.00 0.00 O ATOM 0 H TYR A 27 5.234 4.653 5.513 1.00 0.00 H new ATOM 0 HA TYR A 27 5.684 5.415 8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.230 4.463 6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.208 4.999 8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.601 6.086 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.434 7.372 8.967 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.315 8.406 4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.143 9.693 8.221 1.00 0.00 H new ATOM 0 HH TYR A 27 2.975 11.077 6.506 1.00 0.00 H new ATOM 392 N GLY A 28 5.223 2.298 7.374 1.00 0.00 N ATOM 393 CA GLY A 28 5.293 0.930 7.853 1.00 0.00 C ATOM 394 C GLY A 28 4.009 0.164 7.609 1.00 0.00 C ATOM 395 O GLY A 28 3.019 0.728 7.143 1.00 0.00 O ATOM 0 H GLY A 28 5.145 2.394 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.118 0.417 7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.513 0.933 8.920 1.00 0.00 H new ATOM 399 N LYS A 29 4.023 -1.127 7.923 1.00 0.00 N ATOM 400 CA LYS A 29 2.851 -1.974 7.736 1.00 0.00 C ATOM 401 C LYS A 29 1.926 -1.898 8.946 1.00 0.00 C ATOM 402 O LYS A 29 1.115 -2.794 9.176 1.00 0.00 O ATOM 403 CB LYS A 29 3.278 -3.425 7.497 1.00 0.00 C ATOM 404 CG LYS A 29 4.211 -3.596 6.311 1.00 0.00 C ATOM 405 CD LYS A 29 4.316 -5.053 5.890 1.00 0.00 C ATOM 406 CE LYS A 29 5.428 -5.261 4.873 1.00 0.00 C ATOM 407 NZ LYS A 29 6.762 -5.370 5.525 1.00 0.00 N ATOM 0 H LYS A 29 4.834 -1.610 8.309 1.00 0.00 H new ATOM 0 HA LYS A 29 2.308 -1.613 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.770 -3.803 8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.389 -4.036 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.850 -2.999 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.201 -3.218 6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.503 -5.673 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.367 -5.379 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.230 -6.166 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.435 -4.430 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.493 -5.511 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.963 -4.497 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.764 -6.178 6.179 1.00 0.00 H new ATOM 421 N ASN A 30 2.053 -0.823 9.716 1.00 0.00 N ATOM 422 CA ASN A 30 1.228 -0.630 10.902 1.00 0.00 C ATOM 423 C ASN A 30 0.335 0.598 10.750 1.00 0.00 C ATOM 424 O ASN A 30 -0.788 0.627 11.254 1.00 0.00 O ATOM 425 CB ASN A 30 2.109 -0.482 12.144 1.00 0.00 C ATOM 426 CG ASN A 30 2.856 -1.759 12.478 1.00 0.00 C ATOM 427 OD1 ASN A 30 2.260 -2.746 12.909 1.00 0.00 O ATOM 428 ND2 ASN A 30 4.169 -1.745 12.279 1.00 0.00 N ATOM 0 H ASN A 30 2.720 -0.072 9.540 1.00 0.00 H new ATOM 0 HA ASN A 30 0.593 -1.508 11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.826 0.324 11.984 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.490 -0.194 12.993 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.725 -2.575 12.485 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.621 -0.904 11.920 1.00 0.00 H new ATOM 435 N GLN A 31 0.842 1.609 10.051 1.00 0.00 N ATOM 436 CA GLN A 31 0.090 2.839 9.833 1.00 0.00 C ATOM 437 C GLN A 31 -0.808 2.717 8.606 1.00 0.00 C ATOM 438 O GLN A 31 -0.864 3.622 7.774 1.00 0.00 O ATOM 439 CB GLN A 31 1.045 4.022 9.665 1.00 0.00 C ATOM 440 CG GLN A 31 2.015 4.189 10.823 1.00 0.00 C ATOM 441 CD GLN A 31 2.425 5.633 11.037 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.632 6.453 11.502 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.669 5.952 10.700 1.00 0.00 N ATOM 0 H GLN A 31 1.769 1.600 9.626 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.540 3.010 10.706 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.612 3.893 8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.462 4.936 9.555 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.556 3.807 11.735 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.904 3.587 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.292 5.241 10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.001 6.908 10.823 1.00 0.00 H new ATOM 452 N TRP A 32 -1.509 1.594 8.502 1.00 0.00 N ATOM 453 CA TRP A 32 -2.405 1.354 7.376 1.00 0.00 C ATOM 454 C TRP A 32 -3.461 2.449 7.278 1.00 0.00 C ATOM 455 O TRP A 32 -3.827 2.875 6.182 1.00 0.00 O ATOM 456 CB TRP A 32 -3.079 -0.011 7.516 1.00 0.00 C ATOM 457 CG TRP A 32 -2.160 -1.160 7.232 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.825 -2.172 8.085 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.456 -1.413 6.011 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.955 -3.039 7.468 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.714 -2.596 6.195 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.382 -0.756 4.780 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.091 -3.133 5.194 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.582 -1.290 3.787 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.145 -2.469 3.998 1.00 0.00 C ATOM 0 H TRP A 32 -1.475 0.835 9.183 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.811 1.365 6.462 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.473 -0.112 8.527 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.930 -0.059 6.836 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.190 -2.276 9.096 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.554 -3.877 7.890 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.940 0.153 4.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.653 -4.041 5.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.516 -0.790 2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.760 -2.862 3.202 1.00 0.00 H new ATOM 476 N SER A 33 -3.948 2.901 8.429 1.00 0.00 N ATOM 477 CA SER A 33 -4.965 3.945 8.472 1.00 0.00 C ATOM 478 C SER A 33 -4.440 5.241 7.863 1.00 0.00 C ATOM 479 O SER A 33 -5.089 5.845 7.009 1.00 0.00 O ATOM 480 CB SER A 33 -5.413 4.191 9.914 1.00 0.00 C ATOM 481 OG SER A 33 -6.173 3.100 10.406 1.00 0.00 O ATOM 0 H SER A 33 -3.655 2.560 9.345 1.00 0.00 H new ATOM 0 HA SER A 33 -5.820 3.609 7.885 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.540 4.345 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.007 5.103 9.963 1.00 0.00 H new ATOM 0 HG SER A 33 -6.446 3.281 11.330 1.00 0.00 H new ATOM 487 N ARG A 34 -3.261 5.662 8.308 1.00 0.00 N ATOM 488 CA ARG A 34 -2.648 6.886 7.808 1.00 0.00 C ATOM 489 C ARG A 34 -2.366 6.782 6.312 1.00 0.00 C ATOM 490 O ARG A 34 -2.613 7.722 5.557 1.00 0.00 O ATOM 491 CB ARG A 34 -1.350 7.178 8.564 1.00 0.00 C ATOM 492 CG ARG A 34 -0.986 8.653 8.603 1.00 0.00 C ATOM 493 CD ARG A 34 0.213 8.907 9.502 1.00 0.00 C ATOM 494 NE ARG A 34 0.449 10.333 9.711 1.00 0.00 N ATOM 495 CZ ARG A 34 1.531 10.820 10.307 1.00 0.00 C ATOM 496 NH1 ARG A 34 2.473 9.999 10.752 1.00 0.00 N ATOM 497 NH2 ARG A 34 1.674 12.131 10.460 1.00 0.00 N ATOM 0 H ARG A 34 -2.711 5.173 9.014 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.348 7.706 7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.443 6.809 9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.535 6.624 8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.766 9.001 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.839 9.230 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.053 8.421 10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.100 8.454 9.059 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.257 10.991 9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.367 8.991 10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.303 10.376 11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.952 12.766 10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.506 12.503 10.918 1.00 0.00 H new ATOM 511 N ILE A 35 -1.847 5.633 5.892 1.00 0.00 N ATOM 512 CA ILE A 35 -1.532 5.406 4.488 1.00 0.00 C ATOM 513 C ILE A 35 -2.756 5.628 3.607 1.00 0.00 C ATOM 514 O ILE A 35 -2.664 6.229 2.537 1.00 0.00 O ATOM 515 CB ILE A 35 -0.996 3.981 4.254 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.381 3.818 4.900 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.927 3.679 2.764 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.803 2.375 5.068 1.00 0.00 C ATOM 0 H ILE A 35 -1.636 4.845 6.505 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.758 6.125 4.218 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.680 3.271 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.122 4.336 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.375 4.302 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.546 2.669 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.924 3.759 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.261 4.393 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.789 2.336 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.083 1.857 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.842 1.891 4.092 1.00 0.00 H new ATOM 530 N ALA A 36 -3.904 5.139 4.065 1.00 0.00 N ATOM 531 CA ALA A 36 -5.149 5.286 3.321 1.00 0.00 C ATOM 532 C ALA A 36 -5.432 6.752 3.011 1.00 0.00 C ATOM 533 O ALA A 36 -5.972 7.080 1.954 1.00 0.00 O ATOM 534 CB ALA A 36 -6.305 4.677 4.100 1.00 0.00 C ATOM 0 H ALA A 36 -3.997 4.637 4.948 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.043 4.755 2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.228 4.794 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.113 3.617 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.403 5.183 5.060 1.00 0.00 H new ATOM 540 N SER A 37 -5.065 7.630 3.938 1.00 0.00 N ATOM 541 CA SER A 37 -5.284 9.062 3.765 1.00 0.00 C ATOM 542 C SER A 37 -4.578 9.572 2.513 1.00 0.00 C ATOM 543 O SER A 37 -5.108 10.413 1.786 1.00 0.00 O ATOM 544 CB SER A 37 -4.788 9.827 4.993 1.00 0.00 C ATOM 545 OG SER A 37 -5.139 11.198 4.917 1.00 0.00 O ATOM 0 H SER A 37 -4.614 7.376 4.817 1.00 0.00 H new ATOM 0 HA SER A 37 -6.355 9.230 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.215 9.389 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.705 9.730 5.073 1.00 0.00 H new ATOM 0 HG SER A 37 -4.812 11.664 5.715 1.00 0.00 H new ATOM 551 N LEU A 38 -3.377 9.058 2.269 1.00 0.00 N ATOM 552 CA LEU A 38 -2.596 9.461 1.105 1.00 0.00 C ATOM 553 C LEU A 38 -3.355 9.174 -0.187 1.00 0.00 C ATOM 554 O LEU A 38 -3.379 9.998 -1.102 1.00 0.00 O ATOM 555 CB LEU A 38 -1.251 8.732 1.092 1.00 0.00 C ATOM 556 CG LEU A 38 -0.381 8.906 2.338 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.749 7.889 2.346 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.172 10.322 2.409 1.00 0.00 C ATOM 0 H LEU A 38 -2.924 8.362 2.861 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.420 10.535 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.439 7.668 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.683 9.074 0.226 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.001 8.736 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.357 8.028 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.332 6.882 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.369 8.027 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.788 10.428 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.777 10.521 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.653 11.033 2.452 1.00 0.00 H new ATOM 570 N LEU A 39 -3.975 8.001 -0.254 1.00 0.00 N ATOM 571 CA LEU A 39 -4.738 7.606 -1.433 1.00 0.00 C ATOM 572 C LEU A 39 -6.170 8.125 -1.354 1.00 0.00 C ATOM 573 O LEU A 39 -6.803 8.074 -0.299 1.00 0.00 O ATOM 574 CB LEU A 39 -4.743 6.083 -1.574 1.00 0.00 C ATOM 575 CG LEU A 39 -3.395 5.386 -1.381 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.597 3.930 -0.995 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.554 5.493 -2.644 1.00 0.00 C ATOM 0 H LEU A 39 -3.964 7.307 0.494 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.260 8.045 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.448 5.674 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.121 5.831 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.863 5.884 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.627 3.451 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.159 3.875 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.150 3.418 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.599 4.992 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.081 5.021 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.379 6.543 -2.877 1.00 0.00 H new ATOM 589 N HIS A 40 -6.676 8.623 -2.478 1.00 0.00 N ATOM 590 CA HIS A 40 -8.035 9.149 -2.537 1.00 0.00 C ATOM 591 C HIS A 40 -9.043 8.027 -2.770 1.00 0.00 C ATOM 592 O HIS A 40 -8.842 7.168 -3.629 1.00 0.00 O ATOM 593 CB HIS A 40 -8.153 10.193 -3.648 1.00 0.00 C ATOM 594 CG HIS A 40 -9.543 10.717 -3.833 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.103 10.945 -5.072 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.490 11.057 -2.926 1.00 0.00 C ATOM 597 CE1 HIS A 40 -11.333 11.404 -4.920 1.00 0.00 C ATOM 598 NE2 HIS A 40 -11.592 11.480 -3.627 1.00 0.00 N ATOM 0 H HIS A 40 -6.166 8.673 -3.360 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.257 9.621 -1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.486 11.026 -3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.811 9.754 -4.585 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.396 11.005 -1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.011 11.671 -5.717 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.469 11.801 -3.216 1.00 0.00 H new ATOM 607 N ARG A 41 -10.125 8.040 -1.998 1.00 0.00 N ATOM 608 CA ARG A 41 -11.162 7.023 -2.119 1.00 0.00 C ATOM 609 C ARG A 41 -10.638 5.658 -1.680 1.00 0.00 C ATOM 610 O ARG A 41 -10.887 4.646 -2.335 1.00 0.00 O ATOM 611 CB ARG A 41 -11.667 6.948 -3.561 1.00 0.00 C ATOM 612 CG ARG A 41 -12.102 8.291 -4.124 1.00 0.00 C ATOM 613 CD ARG A 41 -13.576 8.556 -3.858 1.00 0.00 C ATOM 614 NE ARG A 41 -14.440 7.803 -4.764 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.731 7.587 -4.538 1.00 0.00 C ATOM 616 NH1 ARG A 41 -16.305 8.064 -3.443 1.00 0.00 N ATOM 617 NH2 ARG A 41 -16.451 6.892 -5.410 1.00 0.00 N ATOM 0 H ARG A 41 -10.306 8.744 -1.282 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.989 7.303 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.879 6.537 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.507 6.255 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.502 9.085 -3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.915 8.314 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.812 8.290 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.778 9.622 -3.966 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.029 7.422 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.755 8.599 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.297 7.896 -3.273 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.013 6.523 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.442 6.726 -5.236 1.00 0.00 H new ATOM 631 N LYS A 42 -9.911 5.639 -0.569 1.00 0.00 N ATOM 632 CA LYS A 42 -9.352 4.400 -0.041 1.00 0.00 C ATOM 633 C LYS A 42 -9.466 4.355 1.479 1.00 0.00 C ATOM 634 O LYS A 42 -9.647 5.386 2.128 1.00 0.00 O ATOM 635 CB LYS A 42 -7.886 4.259 -0.458 1.00 0.00 C ATOM 636 CG LYS A 42 -7.697 4.025 -1.946 1.00 0.00 C ATOM 637 CD LYS A 42 -8.151 2.633 -2.354 1.00 0.00 C ATOM 638 CE LYS A 42 -8.482 2.567 -3.837 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.537 1.557 -4.126 1.00 0.00 N ATOM 0 H LYS A 42 -9.695 6.468 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.923 3.569 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.346 5.161 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.439 3.430 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.260 4.771 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.647 4.157 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.368 1.911 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.028 2.350 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.814 3.547 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.581 2.322 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.734 1.543 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.210 0.617 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.405 1.804 -3.610 1.00 0.00 H new ATOM 653 N SER A 43 -9.357 3.156 2.042 1.00 0.00 N ATOM 654 CA SER A 43 -9.450 2.978 3.486 1.00 0.00 C ATOM 655 C SER A 43 -8.474 1.908 3.966 1.00 0.00 C ATOM 656 O SER A 43 -7.969 1.113 3.173 1.00 0.00 O ATOM 657 CB SER A 43 -10.878 2.597 3.883 1.00 0.00 C ATOM 658 OG SER A 43 -11.183 3.053 5.190 1.00 0.00 O ATOM 0 H SER A 43 -9.204 2.293 1.520 1.00 0.00 H new ATOM 0 HA SER A 43 -9.188 3.923 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.583 3.026 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.995 1.514 3.836 1.00 0.00 H new ATOM 0 HG SER A 43 -12.101 2.799 5.419 1.00 0.00 H new ATOM 664 N ALA A 44 -8.213 1.895 5.269 1.00 0.00 N ATOM 665 CA ALA A 44 -7.299 0.922 5.855 1.00 0.00 C ATOM 666 C ALA A 44 -7.607 -0.487 5.361 1.00 0.00 C ATOM 667 O ALA A 44 -6.699 -1.264 5.063 1.00 0.00 O ATOM 668 CB ALA A 44 -7.372 0.979 7.374 1.00 0.00 C ATOM 0 H ALA A 44 -8.621 2.547 5.939 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.286 1.175 5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.685 0.247 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.096 1.977 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.388 0.753 7.698 1.00 0.00 H new ATOM 674 N LYS A 45 -8.892 -0.812 5.276 1.00 0.00 N ATOM 675 CA LYS A 45 -9.320 -2.129 4.818 1.00 0.00 C ATOM 676 C LYS A 45 -8.761 -2.430 3.431 1.00 0.00 C ATOM 677 O LYS A 45 -8.109 -3.453 3.224 1.00 0.00 O ATOM 678 CB LYS A 45 -10.848 -2.210 4.792 1.00 0.00 C ATOM 679 CG LYS A 45 -11.378 -3.510 4.212 1.00 0.00 C ATOM 680 CD LYS A 45 -11.583 -3.408 2.710 1.00 0.00 C ATOM 681 CE LYS A 45 -12.150 -4.697 2.135 1.00 0.00 C ATOM 682 NZ LYS A 45 -13.634 -4.748 2.243 1.00 0.00 N ATOM 0 H LYS A 45 -9.656 -0.181 5.518 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.934 -2.873 5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.227 -2.094 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.238 -1.376 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.680 -4.318 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.322 -3.765 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.259 -2.582 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.633 -3.180 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.859 -4.786 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.718 -5.549 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.981 -5.642 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.912 -4.688 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.048 -3.949 1.721 1.00 0.00 H new ATOM 696 N GLN A 46 -9.019 -1.532 2.486 1.00 0.00 N ATOM 697 CA GLN A 46 -8.540 -1.703 1.119 1.00 0.00 C ATOM 698 C GLN A 46 -7.016 -1.699 1.072 1.00 0.00 C ATOM 699 O GLN A 46 -6.403 -2.556 0.434 1.00 0.00 O ATOM 700 CB GLN A 46 -9.092 -0.595 0.220 1.00 0.00 C ATOM 701 CG GLN A 46 -10.421 -0.944 -0.429 1.00 0.00 C ATOM 702 CD GLN A 46 -10.332 -2.169 -1.318 1.00 0.00 C ATOM 703 OE1 GLN A 46 -9.391 -2.317 -2.098 1.00 0.00 O ATOM 704 NE2 GLN A 46 -11.315 -3.055 -1.205 1.00 0.00 N ATOM 0 H GLN A 46 -9.557 -0.679 2.641 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.894 -2.667 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.213 0.314 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.363 -0.374 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.166 -1.117 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.767 -0.095 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.075 -2.892 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.309 -3.899 -1.778 1.00 0.00 H new ATOM 713 N CYS A 47 -6.410 -0.731 1.750 1.00 0.00 N ATOM 714 CA CYS A 47 -4.957 -0.615 1.785 1.00 0.00 C ATOM 715 C CYS A 47 -4.321 -1.901 2.303 1.00 0.00 C ATOM 716 O CYS A 47 -3.346 -2.396 1.738 1.00 0.00 O ATOM 717 CB CYS A 47 -4.539 0.565 2.663 1.00 0.00 C ATOM 718 SG CYS A 47 -4.827 2.184 1.911 1.00 0.00 S ATOM 0 H CYS A 47 -6.903 -0.015 2.283 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.607 -0.442 0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.083 0.513 3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.479 0.470 2.900 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.018 2.601 2.222 1.00 0.00 H new ATOM 724 N LYS A 48 -4.879 -2.436 3.384 1.00 0.00 N ATOM 725 CA LYS A 48 -4.368 -3.665 3.980 1.00 0.00 C ATOM 726 C LYS A 48 -4.645 -4.864 3.079 1.00 0.00 C ATOM 727 O LYS A 48 -3.780 -5.717 2.882 1.00 0.00 O ATOM 728 CB LYS A 48 -5.000 -3.890 5.355 1.00 0.00 C ATOM 729 CG LYS A 48 -4.228 -4.863 6.229 1.00 0.00 C ATOM 730 CD LYS A 48 -4.504 -4.629 7.704 1.00 0.00 C ATOM 731 CE LYS A 48 -3.484 -5.337 8.582 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.538 -6.816 8.414 1.00 0.00 N ATOM 0 H LYS A 48 -5.685 -2.038 3.865 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.289 -3.562 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.076 -2.933 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.016 -4.262 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.500 -5.885 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.160 -4.758 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.485 -3.559 7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.505 -4.984 7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.484 -4.980 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.666 -5.083 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.888 -7.266 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.507 -7.150 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.257 -7.066 7.444 1.00 0.00 H new ATOM 746 N ALA A 49 -5.856 -4.921 2.533 1.00 0.00 N ATOM 747 CA ALA A 49 -6.245 -6.013 1.650 1.00 0.00 C ATOM 748 C ALA A 49 -5.441 -5.985 0.355 1.00 0.00 C ATOM 749 O ALA A 49 -4.656 -6.893 0.080 1.00 0.00 O ATOM 750 CB ALA A 49 -7.735 -5.944 1.351 1.00 0.00 C ATOM 0 H ALA A 49 -6.584 -4.223 2.687 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.031 -6.953 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.012 -6.766 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.297 -6.022 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.965 -4.995 0.866 1.00 0.00 H new ATOM 756 N ARG A 50 -5.641 -4.937 -0.438 1.00 0.00 N ATOM 757 CA ARG A 50 -4.936 -4.792 -1.705 1.00 0.00 C ATOM 758 C ARG A 50 -3.458 -5.138 -1.548 1.00 0.00 C ATOM 759 O ARG A 50 -2.867 -5.787 -2.411 1.00 0.00 O ATOM 760 CB ARG A 50 -5.083 -3.365 -2.235 1.00 0.00 C ATOM 761 CG ARG A 50 -4.067 -3.005 -3.306 1.00 0.00 C ATOM 762 CD ARG A 50 -4.167 -3.934 -4.505 1.00 0.00 C ATOM 763 NE ARG A 50 -3.779 -3.270 -5.747 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.123 -3.708 -6.953 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.859 -4.804 -7.079 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.732 -3.048 -8.036 1.00 0.00 N ATOM 0 H ARG A 50 -6.286 -4.176 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.380 -5.485 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.087 -3.239 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.985 -2.666 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.226 -1.976 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.062 -3.057 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.529 -4.803 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.189 -4.301 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.213 -2.424 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.162 -5.313 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.122 -5.138 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.167 -2.204 -7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.996 -3.385 -8.962 1.00 0.00 H new ATOM 780 N TRP A 51 -2.868 -4.699 -0.442 1.00 0.00 N ATOM 781 CA TRP A 51 -1.459 -4.961 -0.172 1.00 0.00 C ATOM 782 C TRP A 51 -1.203 -6.456 -0.021 1.00 0.00 C ATOM 783 O TRP A 51 -0.572 -7.077 -0.877 1.00 0.00 O ATOM 784 CB TRP A 51 -1.015 -4.225 1.093 1.00 0.00 C ATOM 785 CG TRP A 51 0.298 -4.706 1.631 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.490 -5.621 2.627 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.602 -4.296 1.204 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.834 -5.804 2.844 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.537 -5.004 1.983 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.069 -3.401 0.237 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.911 -4.842 1.825 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.433 -3.242 0.082 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.341 -3.959 0.872 1.00 0.00 C ATOM 0 H TRP A 51 -3.343 -4.160 0.282 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.878 -4.595 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.942 -3.159 0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.779 -4.344 1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.299 -6.126 3.165 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.242 -6.434 3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.377 -2.844 -0.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.613 -5.394 2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.806 -2.553 -0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.401 -3.812 0.726 1.00 0.00 H new ATOM 804 N TYR A 52 -1.695 -7.029 1.072 1.00 0.00 N ATOM 805 CA TYR A 52 -1.517 -8.452 1.336 1.00 0.00 C ATOM 806 C TYR A 52 -2.071 -9.292 0.189 1.00 0.00 C ATOM 807 O TYR A 52 -1.728 -10.465 0.043 1.00 0.00 O ATOM 808 CB TYR A 52 -2.206 -8.839 2.646 1.00 0.00 C ATOM 809 CG TYR A 52 -1.413 -8.469 3.879 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.157 -9.014 4.111 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.921 -7.572 4.811 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.570 -8.679 5.237 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.200 -7.230 5.939 1.00 0.00 C ATOM 814 CZ TYR A 52 0.044 -7.786 6.148 1.00 0.00 C ATOM 815 OH TYR A 52 0.766 -7.449 7.270 1.00 0.00 O ATOM 0 H TYR A 52 -2.220 -6.530 1.790 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.448 -8.649 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.181 -8.353 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.385 -9.914 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.259 -9.712 3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.896 -7.135 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.545 -9.114 5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.609 -6.531 6.653 1.00 0.00 H new ATOM 0 HH TYR A 52 0.255 -6.809 7.808 1.00 0.00 H new ATOM 825 N GLU A 53 -2.930 -8.682 -0.622 1.00 0.00 N ATOM 826 CA GLU A 53 -3.532 -9.373 -1.756 1.00 0.00 C ATOM 827 C GLU A 53 -2.483 -9.699 -2.814 1.00 0.00 C ATOM 828 O GLU A 53 -2.309 -10.857 -3.195 1.00 0.00 O ATOM 829 CB GLU A 53 -4.644 -8.520 -2.370 1.00 0.00 C ATOM 830 CG GLU A 53 -6.015 -8.784 -1.772 1.00 0.00 C ATOM 831 CD GLU A 53 -7.136 -8.173 -2.590 1.00 0.00 C ATOM 832 OE1 GLU A 53 -7.313 -8.586 -3.755 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.836 -7.281 -2.066 1.00 0.00 O ATOM 0 H GLU A 53 -3.224 -7.711 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.959 -10.308 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.397 -7.467 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.683 -8.707 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.172 -9.860 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.049 -8.383 -0.759 1.00 0.00 H new ATOM 840 N TRP A 54 -1.786 -8.671 -3.285 1.00 0.00 N ATOM 841 CA TRP A 54 -0.754 -8.847 -4.300 1.00 0.00 C ATOM 842 C TRP A 54 0.557 -8.205 -3.860 1.00 0.00 C ATOM 843 O TRP A 54 1.635 -8.764 -4.068 1.00 0.00 O ATOM 844 CB TRP A 54 -1.210 -8.246 -5.630 1.00 0.00 C ATOM 845 CG TRP A 54 -2.689 -8.348 -5.852 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.592 -7.324 -5.837 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.435 -9.540 -6.121 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.855 -7.808 -6.080 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.785 -9.164 -6.258 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.093 -10.888 -6.262 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.791 -10.089 -6.528 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.093 -11.804 -6.528 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.428 -11.401 -6.660 1.00 0.00 C ATOM 0 H TRP A 54 -1.917 -7.707 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.587 -9.916 -4.431 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.916 -7.197 -5.666 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.692 -8.751 -6.445 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.349 -6.287 -5.660 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.707 -7.248 -6.121 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.066 -11.208 -6.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.821 -9.781 -6.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.841 -12.849 -6.636 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.186 -12.141 -6.870 1.00 0.00 H new ATOM 864 N LEU A 55 0.459 -7.028 -3.252 1.00 0.00 N ATOM 865 CA LEU A 55 1.639 -6.309 -2.782 1.00 0.00 C ATOM 866 C LEU A 55 2.098 -6.841 -1.429 1.00 0.00 C ATOM 867 O LEU A 55 1.676 -6.350 -0.381 1.00 0.00 O ATOM 868 CB LEU A 55 1.340 -4.812 -2.680 1.00 0.00 C ATOM 869 CG LEU A 55 0.293 -4.268 -3.652 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.193 -2.755 -3.538 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.628 -4.676 -5.080 1.00 0.00 C ATOM 0 H LEU A 55 -0.425 -6.551 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 55 2.441 -6.465 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.010 -4.597 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.270 -4.265 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.675 -4.696 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.557 -2.386 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.094 -2.485 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.159 -2.308 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.128 -4.280 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.605 -4.277 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.647 -5.763 -5.153 1.00 0.00 H new ATOM 883 N ASP A 56 2.966 -7.846 -1.458 1.00 0.00 N ATOM 884 CA ASP A 56 3.485 -8.444 -0.233 1.00 0.00 C ATOM 885 C ASP A 56 4.625 -9.410 -0.540 1.00 0.00 C ATOM 886 O ASP A 56 4.600 -10.142 -1.530 1.00 0.00 O ATOM 887 CB ASP A 56 2.370 -9.173 0.518 1.00 0.00 C ATOM 888 CG ASP A 56 2.901 -10.061 1.625 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.530 -11.092 1.308 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.688 -9.725 2.809 1.00 0.00 O ATOM 0 H ASP A 56 3.325 -8.264 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 56 3.872 -7.643 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.683 -8.441 0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.797 -9.778 -0.185 1.00 0.00 H new ATOM 895 N PRO A 57 5.648 -9.414 0.326 1.00 0.00 N ATOM 896 CA PRO A 57 6.816 -10.285 0.168 1.00 0.00 C ATOM 897 C PRO A 57 6.481 -11.753 0.407 1.00 0.00 C ATOM 898 O PRO A 57 6.812 -12.616 -0.406 1.00 0.00 O ATOM 899 CB PRO A 57 7.786 -9.777 1.238 1.00 0.00 C ATOM 900 CG PRO A 57 6.915 -9.150 2.271 1.00 0.00 C ATOM 901 CD PRO A 57 5.744 -8.568 1.528 1.00 0.00 C ATOM 0 HA PRO A 57 7.219 -10.246 -0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.375 -10.593 1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.491 -9.056 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.585 -9.887 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.454 -8.376 2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.831 -8.609 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.911 -7.522 1.271 1.00 0.00 H new