USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 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 Set 1.1: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 161:sc= -0.0838 (180deg=-0.478) USER MOD Single : A 14 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.97) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0299 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 1.92 (180deg=1.8) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) 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= -2.42! C(o=-2.4!,f=-3!) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 0.0184 (180deg=-0.137) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 45 LYS NZ :NH3+ -166:sc=-0.00588 (180deg=-0.142) USER MOD Single : A 46 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.58) USER MOD Single : A 47 CYS SG : rot 76:sc= -1.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.958 -0.873 -8.508 1.00 0.00 N ATOM 119 CA TRP A 12 -6.905 0.063 -8.130 1.00 0.00 C ATOM 120 C TRP A 12 -6.242 0.664 -9.364 1.00 0.00 C ATOM 121 O TRP A 12 -6.545 0.277 -10.493 1.00 0.00 O ATOM 122 CB TRP A 12 -5.857 -0.639 -7.264 1.00 0.00 C ATOM 123 CG TRP A 12 -6.157 -0.572 -5.797 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.214 -1.147 -5.150 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.393 0.109 -4.797 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.152 -0.863 -3.807 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.044 -0.096 -3.564 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.221 0.870 -4.821 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.562 0.435 -2.371 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.744 1.396 -3.636 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.412 1.176 -2.424 1.00 0.00 C ATOM 0 HA TRP A 12 -7.360 0.870 -7.556 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.788 -1.684 -7.566 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.882 -0.188 -7.449 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.984 -1.737 -5.624 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.823 -1.173 -3.104 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.698 1.044 -5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.077 0.268 -1.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.840 1.987 -3.644 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.012 1.599 -1.514 1.00 0.00 H new ATOM 142 N ARG A 13 -5.337 1.611 -9.143 1.00 0.00 N ATOM 143 CA ARG A 13 -4.632 2.266 -10.238 1.00 0.00 C ATOM 144 C ARG A 13 -3.122 2.194 -10.033 1.00 0.00 C ATOM 145 O ARG A 13 -2.636 2.231 -8.904 1.00 0.00 O ATOM 146 CB ARG A 13 -5.072 3.727 -10.355 1.00 0.00 C ATOM 147 CG ARG A 13 -6.563 3.896 -10.603 1.00 0.00 C ATOM 148 CD ARG A 13 -6.922 3.612 -12.053 1.00 0.00 C ATOM 149 NE ARG A 13 -8.358 3.723 -12.292 1.00 0.00 N ATOM 150 CZ ARG A 13 -8.944 3.357 -13.427 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.220 2.860 -14.421 1.00 0.00 N ATOM 152 NH2 ARG A 13 -10.257 3.488 -13.570 1.00 0.00 N ATOM 0 H ARG A 13 -5.074 1.942 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.882 1.743 -11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.803 4.253 -9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.521 4.200 -11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.120 3.223 -9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.863 4.912 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.391 4.309 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.586 2.610 -12.320 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.943 4.102 -11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.211 2.758 -14.315 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.673 2.580 -15.291 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.817 3.870 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.706 3.207 -14.442 1.00 0.00 H new ATOM 166 N ASN A 14 -2.385 2.091 -11.135 1.00 0.00 N ATOM 167 CA ASN A 14 -0.930 2.012 -11.076 1.00 0.00 C ATOM 168 C ASN A 14 -0.372 3.006 -10.062 1.00 0.00 C ATOM 169 O ASN A 14 0.474 2.660 -9.237 1.00 0.00 O ATOM 170 CB ASN A 14 -0.328 2.282 -12.456 1.00 0.00 C ATOM 171 CG ASN A 14 -0.650 3.674 -12.966 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.748 3.926 -13.462 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.308 4.585 -12.845 1.00 0.00 N ATOM 0 H ASN A 14 -2.771 2.060 -12.078 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.658 1.005 -10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.754 2.157 -12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.703 1.543 -13.164 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.149 5.539 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.203 4.331 -12.427 1.00 0.00 H new ATOM 180 N THR A 15 -0.852 4.244 -10.129 1.00 0.00 N ATOM 181 CA THR A 15 -0.402 5.289 -9.218 1.00 0.00 C ATOM 182 C THR A 15 -0.661 4.902 -7.766 1.00 0.00 C ATOM 183 O THR A 15 0.240 4.955 -6.930 1.00 0.00 O ATOM 184 CB THR A 15 -1.099 6.630 -9.513 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.519 6.450 -9.533 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.636 7.200 -10.845 1.00 0.00 C ATOM 0 H THR A 15 -1.553 4.547 -10.805 1.00 0.00 H new ATOM 0 HA THR A 15 0.671 5.404 -9.374 1.00 0.00 H new ATOM 0 HB THR A 15 -0.833 7.333 -8.724 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.955 7.308 -9.720 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.142 8.147 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.441 7.364 -10.816 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.875 6.498 -11.644 1.00 0.00 H new ATOM 194 N GLU A 16 -1.898 4.513 -7.475 1.00 0.00 N ATOM 195 CA GLU A 16 -2.275 4.117 -6.123 1.00 0.00 C ATOM 196 C GLU A 16 -1.346 3.026 -5.596 1.00 0.00 C ATOM 197 O GLU A 16 -0.918 3.064 -4.442 1.00 0.00 O ATOM 198 CB GLU A 16 -3.723 3.625 -6.096 1.00 0.00 C ATOM 199 CG GLU A 16 -4.738 4.704 -6.435 1.00 0.00 C ATOM 200 CD GLU A 16 -6.120 4.397 -5.890 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.210 3.927 -4.736 1.00 0.00 O ATOM 202 OE2 GLU A 16 -7.109 4.627 -6.615 1.00 0.00 O ATOM 0 H GLU A 16 -2.656 4.464 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.184 4.991 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.831 2.801 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.945 3.228 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.397 5.658 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.795 4.817 -7.518 1.00 0.00 H new ATOM 209 N ASP A 17 -1.039 2.056 -6.450 1.00 0.00 N ATOM 210 CA ASP A 17 -0.161 0.955 -6.073 1.00 0.00 C ATOM 211 C ASP A 17 1.236 1.465 -5.733 1.00 0.00 C ATOM 212 O ASP A 17 1.820 1.076 -4.722 1.00 0.00 O ATOM 213 CB ASP A 17 -0.082 -0.073 -7.203 1.00 0.00 C ATOM 214 CG ASP A 17 -1.293 -0.984 -7.244 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.426 -0.467 -7.153 1.00 0.00 O ATOM 216 OD2 ASP A 17 -1.108 -2.213 -7.365 1.00 0.00 O ATOM 0 H ASP A 17 -1.385 2.010 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.579 0.477 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.010 0.447 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.818 -0.675 -7.080 1.00 0.00 H new ATOM 221 N GLU A 18 1.765 2.337 -6.585 1.00 0.00 N ATOM 222 CA GLU A 18 3.094 2.899 -6.376 1.00 0.00 C ATOM 223 C GLU A 18 3.151 3.692 -5.073 1.00 0.00 C ATOM 224 O GLU A 18 4.011 3.452 -4.225 1.00 0.00 O ATOM 225 CB GLU A 18 3.483 3.799 -7.551 1.00 0.00 C ATOM 226 CG GLU A 18 4.007 3.034 -8.755 1.00 0.00 C ATOM 227 CD GLU A 18 5.208 2.171 -8.421 1.00 0.00 C ATOM 228 OE1 GLU A 18 6.043 2.607 -7.600 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.313 1.059 -8.980 1.00 0.00 O ATOM 0 H GLU A 18 1.294 2.670 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 18 3.803 2.073 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.614 4.384 -7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.244 4.506 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.212 2.404 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.279 3.740 -9.539 1.00 0.00 H new ATOM 236 N ILE A 19 2.229 4.637 -4.923 1.00 0.00 N ATOM 237 CA ILE A 19 2.173 5.465 -3.724 1.00 0.00 C ATOM 238 C ILE A 19 2.009 4.610 -2.472 1.00 0.00 C ATOM 239 O ILE A 19 2.717 4.798 -1.482 1.00 0.00 O ATOM 240 CB ILE A 19 1.017 6.479 -3.794 1.00 0.00 C ATOM 241 CG1 ILE A 19 1.160 7.365 -5.033 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.979 7.328 -2.532 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.157 7.900 -5.550 1.00 0.00 C ATOM 0 H ILE A 19 1.511 4.848 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 19 3.118 6.006 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 19 0.078 5.931 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.815 8.203 -4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.646 6.794 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.156 8.040 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.834 6.684 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.920 7.869 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.022 8.519 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.808 7.068 -5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.636 8.499 -4.775 1.00 0.00 H new ATOM 255 N LEU A 20 1.074 3.668 -2.524 1.00 0.00 N ATOM 256 CA LEU A 20 0.818 2.781 -1.395 1.00 0.00 C ATOM 257 C LEU A 20 2.061 1.968 -1.048 1.00 0.00 C ATOM 258 O LEU A 20 2.590 2.064 0.060 1.00 0.00 O ATOM 259 CB LEU A 20 -0.348 1.843 -1.712 1.00 0.00 C ATOM 260 CG LEU A 20 -0.694 0.814 -0.635 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.434 1.477 0.517 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.524 -0.317 -1.224 1.00 0.00 C ATOM 0 H LEU A 20 0.480 3.499 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 20 0.557 3.396 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.233 2.449 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.119 1.310 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 20 0.235 0.393 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.672 0.730 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.805 2.251 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.356 1.926 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.761 -1.040 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.448 0.087 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.958 -0.810 -2.015 1.00 0.00 H new ATOM 274 N LYS A 21 2.524 1.169 -2.003 1.00 0.00 N ATOM 275 CA LYS A 21 3.707 0.341 -1.802 1.00 0.00 C ATOM 276 C LYS A 21 4.793 1.115 -1.062 1.00 0.00 C ATOM 277 O LYS A 21 5.339 0.639 -0.067 1.00 0.00 O ATOM 278 CB LYS A 21 4.244 -0.152 -3.147 1.00 0.00 C ATOM 279 CG LYS A 21 3.567 -1.417 -3.646 1.00 0.00 C ATOM 280 CD LYS A 21 3.833 -1.647 -5.124 1.00 0.00 C ATOM 281 CE LYS A 21 5.229 -2.204 -5.359 1.00 0.00 C ATOM 282 NZ LYS A 21 5.281 -3.677 -5.149 1.00 0.00 N ATOM 0 H LYS A 21 2.097 1.077 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 21 3.420 -0.518 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.117 0.635 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.315 -0.335 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.926 -2.272 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.493 -1.347 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.092 -2.339 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.719 -0.708 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.547 -1.971 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.933 -1.716 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.249 -4.018 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.002 -3.898 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.628 -4.145 -5.810 1.00 0.00 H new ATOM 296 N ALA A 22 5.100 2.311 -1.553 1.00 0.00 N ATOM 297 CA ALA A 22 6.118 3.152 -0.936 1.00 0.00 C ATOM 298 C ALA A 22 5.750 3.492 0.505 1.00 0.00 C ATOM 299 O ALA A 22 6.489 3.173 1.436 1.00 0.00 O ATOM 300 CB ALA A 22 6.315 4.424 -1.747 1.00 0.00 C ATOM 0 H ALA A 22 4.658 2.719 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 22 7.055 2.595 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.078 5.042 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.632 4.166 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.376 4.976 -1.791 1.00 0.00 H new ATOM 306 N ALA A 23 4.604 4.141 0.680 1.00 0.00 N ATOM 307 CA ALA A 23 4.138 4.523 2.007 1.00 0.00 C ATOM 308 C ALA A 23 4.360 3.397 3.012 1.00 0.00 C ATOM 309 O ALA A 23 4.995 3.593 4.048 1.00 0.00 O ATOM 310 CB ALA A 23 2.667 4.908 1.960 1.00 0.00 C ATOM 0 H ALA A 23 3.981 4.413 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 23 4.718 5.386 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.333 5.191 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.533 5.749 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.080 4.060 1.608 1.00 0.00 H new ATOM 316 N VAL A 24 3.833 2.218 2.699 1.00 0.00 N ATOM 317 CA VAL A 24 3.974 1.061 3.574 1.00 0.00 C ATOM 318 C VAL A 24 5.406 0.924 4.078 1.00 0.00 C ATOM 319 O VAL A 24 5.639 0.510 5.213 1.00 0.00 O ATOM 320 CB VAL A 24 3.567 -0.239 2.856 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.698 -1.431 3.792 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.150 -0.128 2.315 1.00 0.00 C ATOM 0 H VAL A 24 3.304 2.039 1.845 1.00 0.00 H new ATOM 0 HA VAL A 24 3.308 1.223 4.422 1.00 0.00 H new ATOM 0 HB VAL A 24 4.241 -0.394 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.406 -2.340 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.732 -1.520 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.050 -1.288 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.879 -1.056 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.459 0.052 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.095 0.699 1.607 1.00 0.00 H new ATOM 332 N MET A 25 6.363 1.275 3.226 1.00 0.00 N ATOM 333 CA MET A 25 7.774 1.193 3.585 1.00 0.00 C ATOM 334 C MET A 25 8.178 2.367 4.472 1.00 0.00 C ATOM 335 O MET A 25 9.101 2.259 5.280 1.00 0.00 O ATOM 336 CB MET A 25 8.643 1.167 2.326 1.00 0.00 C ATOM 337 CG MET A 25 8.373 -0.028 1.426 1.00 0.00 C ATOM 338 SD MET A 25 9.262 -1.506 1.949 1.00 0.00 S ATOM 339 CE MET A 25 8.010 -2.762 1.695 1.00 0.00 C ATOM 0 H MET A 25 6.187 1.619 2.282 1.00 0.00 H new ATOM 0 HA MET A 25 7.928 0.269 4.142 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.475 2.083 1.760 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.693 1.161 2.619 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.303 -0.236 1.417 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.658 0.220 0.404 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.410 -3.736 1.975 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.139 -2.537 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.718 -2.778 0.645 1.00 0.00 H new ATOM 349 N LYS A 26 7.483 3.488 4.315 1.00 0.00 N ATOM 350 CA LYS A 26 7.768 4.682 5.101 1.00 0.00 C ATOM 351 C LYS A 26 7.064 4.625 6.453 1.00 0.00 C ATOM 352 O LYS A 26 7.711 4.585 7.500 1.00 0.00 O ATOM 353 CB LYS A 26 7.331 5.936 4.340 1.00 0.00 C ATOM 354 CG LYS A 26 7.542 7.224 5.117 1.00 0.00 C ATOM 355 CD LYS A 26 6.381 7.506 6.055 1.00 0.00 C ATOM 356 CE LYS A 26 6.394 8.947 6.540 1.00 0.00 C ATOM 357 NZ LYS A 26 5.799 9.081 7.899 1.00 0.00 N ATOM 0 H LYS A 26 6.717 3.595 3.650 1.00 0.00 H new ATOM 0 HA LYS A 26 8.844 4.724 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.884 5.993 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.276 5.845 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.466 7.157 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.659 8.055 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.441 7.302 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.431 6.833 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.420 9.316 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.841 9.571 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.888 10.066 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.794 8.817 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.300 8.454 8.561 1.00 0.00 H new ATOM 371 N TYR A 27 5.736 4.619 6.423 1.00 0.00 N ATOM 372 CA TYR A 27 4.944 4.566 7.647 1.00 0.00 C ATOM 373 C TYR A 27 4.994 3.174 8.269 1.00 0.00 C ATOM 374 O TYR A 27 4.989 3.026 9.490 1.00 0.00 O ATOM 375 CB TYR A 27 3.494 4.957 7.358 1.00 0.00 C ATOM 376 CG TYR A 27 3.357 6.250 6.586 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.360 6.257 5.197 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.224 7.465 7.248 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.236 7.437 4.489 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.098 8.649 6.547 1.00 0.00 C ATOM 381 CZ TYR A 27 3.105 8.630 5.168 1.00 0.00 C ATOM 382 OH TYR A 27 2.980 9.807 4.466 1.00 0.00 O ATOM 0 H TYR A 27 5.185 4.650 5.565 1.00 0.00 H new ATOM 0 HA TYR A 27 5.370 5.276 8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.016 4.155 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.956 5.049 8.302 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.461 5.325 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.219 7.484 8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.242 7.425 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.995 9.585 7.076 1.00 0.00 H new ATOM 0 HH TYR A 27 2.896 10.555 5.094 1.00 0.00 H new ATOM 392 N GLY A 28 5.042 2.154 7.417 1.00 0.00 N ATOM 393 CA GLY A 28 5.092 0.786 7.900 1.00 0.00 C ATOM 394 C GLY A 28 3.798 0.037 7.654 1.00 0.00 C ATOM 395 O GLY A 28 2.827 0.606 7.154 1.00 0.00 O ATOM 0 H GLY A 28 5.047 2.251 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.911 0.260 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.309 0.789 8.968 1.00 0.00 H new ATOM 399 N LYS A 29 3.782 -1.244 8.005 1.00 0.00 N ATOM 400 CA LYS A 29 2.598 -2.074 7.821 1.00 0.00 C ATOM 401 C LYS A 29 1.670 -1.975 9.027 1.00 0.00 C ATOM 402 O LYS A 29 0.926 -2.907 9.329 1.00 0.00 O ATOM 403 CB LYS A 29 3.002 -3.533 7.594 1.00 0.00 C ATOM 404 CG LYS A 29 3.545 -3.804 6.202 1.00 0.00 C ATOM 405 CD LYS A 29 4.226 -5.161 6.123 1.00 0.00 C ATOM 406 CE LYS A 29 5.026 -5.309 4.838 1.00 0.00 C ATOM 407 NZ LYS A 29 6.153 -4.338 4.772 1.00 0.00 N ATOM 0 H LYS A 29 4.577 -1.731 8.419 1.00 0.00 H new ATOM 0 HA LYS A 29 2.064 -1.710 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.757 -3.811 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.136 -4.172 7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.731 -3.762 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.255 -3.023 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.886 -5.288 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.476 -5.950 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.417 -6.324 4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.368 -5.161 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.851 -4.663 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.791 -3.404 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.606 -4.268 5.706 1.00 0.00 H new ATOM 421 N ASN A 30 1.718 -0.837 9.713 1.00 0.00 N ATOM 422 CA ASN A 30 0.880 -0.616 10.886 1.00 0.00 C ATOM 423 C ASN A 30 0.049 0.654 10.729 1.00 0.00 C ATOM 424 O ASN A 30 -1.056 0.753 11.261 1.00 0.00 O ATOM 425 CB ASN A 30 1.745 -0.520 12.145 1.00 0.00 C ATOM 426 CG ASN A 30 2.387 -1.845 12.507 1.00 0.00 C ATOM 427 OD1 ASN A 30 1.717 -2.875 12.573 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.694 -1.824 12.743 1.00 0.00 N ATOM 0 H ASN A 30 2.328 -0.054 9.477 1.00 0.00 H new ATOM 0 HA ASN A 30 0.202 -1.464 10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.523 0.228 11.992 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.132 -0.176 12.978 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.181 -2.685 12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.210 -0.947 12.677 1.00 0.00 H new ATOM 435 N GLN A 31 0.589 1.621 9.995 1.00 0.00 N ATOM 436 CA GLN A 31 -0.104 2.884 9.768 1.00 0.00 C ATOM 437 C GLN A 31 -1.065 2.774 8.589 1.00 0.00 C ATOM 438 O GLN A 31 -1.316 3.754 7.887 1.00 0.00 O ATOM 439 CB GLN A 31 0.906 4.005 9.515 1.00 0.00 C ATOM 440 CG GLN A 31 1.918 4.177 10.637 1.00 0.00 C ATOM 441 CD GLN A 31 1.455 5.159 11.695 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.694 4.806 12.596 1.00 0.00 O ATOM 443 NE2 GLN A 31 1.914 6.401 11.591 1.00 0.00 N ATOM 0 H GLN A 31 1.503 1.555 9.548 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.681 3.119 10.662 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.438 3.801 8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.368 4.943 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.107 3.210 11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.864 4.519 10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.543 6.650 10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.637 7.106 12.274 1.00 0.00 H new ATOM 452 N TRP A 32 -1.598 1.576 8.376 1.00 0.00 N ATOM 453 CA TRP A 32 -2.531 1.339 7.281 1.00 0.00 C ATOM 454 C TRP A 32 -3.609 2.417 7.241 1.00 0.00 C ATOM 455 O TRP A 32 -4.028 2.848 6.167 1.00 0.00 O ATOM 456 CB TRP A 32 -3.177 -0.040 7.424 1.00 0.00 C ATOM 457 CG TRP A 32 -2.223 -1.171 7.181 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.906 -2.177 8.048 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.462 -1.409 5.992 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.994 -3.026 7.470 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.706 -2.577 6.208 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.347 -0.750 4.765 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.153 -3.097 5.243 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.495 -1.268 3.808 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.245 -2.432 4.051 1.00 0.00 C ATOM 0 H TRP A 32 -1.400 0.754 8.947 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.972 1.376 6.346 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.595 -0.135 8.426 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.008 -0.118 6.723 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.313 -2.289 9.042 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.596 -3.856 7.909 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.914 0.148 4.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.726 -3.993 5.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.398 -0.767 2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.901 -2.812 3.282 1.00 0.00 H new ATOM 476 N SER A 33 -4.053 2.848 8.417 1.00 0.00 N ATOM 477 CA SER A 33 -5.085 3.873 8.515 1.00 0.00 C ATOM 478 C SER A 33 -4.603 5.189 7.911 1.00 0.00 C ATOM 479 O SER A 33 -5.283 5.788 7.078 1.00 0.00 O ATOM 480 CB SER A 33 -5.485 4.086 9.976 1.00 0.00 C ATOM 481 OG SER A 33 -6.050 2.909 10.527 1.00 0.00 O ATOM 0 H SER A 33 -3.714 2.503 9.315 1.00 0.00 H new ATOM 0 HA SER A 33 -5.955 3.532 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.610 4.380 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.202 4.904 10.044 1.00 0.00 H new ATOM 0 HG SER A 33 -6.296 3.071 11.462 1.00 0.00 H new ATOM 487 N ARG A 34 -3.425 5.631 8.337 1.00 0.00 N ATOM 488 CA ARG A 34 -2.851 6.876 7.840 1.00 0.00 C ATOM 489 C ARG A 34 -2.583 6.791 6.341 1.00 0.00 C ATOM 490 O ARG A 34 -2.925 7.702 5.586 1.00 0.00 O ATOM 491 CB ARG A 34 -1.553 7.197 8.584 1.00 0.00 C ATOM 492 CG ARG A 34 -1.138 8.656 8.483 1.00 0.00 C ATOM 493 CD ARG A 34 0.120 8.934 9.290 1.00 0.00 C ATOM 494 NE ARG A 34 0.444 10.357 9.325 1.00 0.00 N ATOM 495 CZ ARG A 34 -0.267 11.257 9.996 1.00 0.00 C ATOM 496 NH1 ARG A 34 -1.336 10.882 10.684 1.00 0.00 N ATOM 497 NH2 ARG A 34 0.092 12.534 9.980 1.00 0.00 N ATOM 0 H ARG A 34 -2.849 5.146 9.025 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.571 7.675 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.672 6.934 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.753 6.572 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.966 8.915 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.948 9.292 8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.014 8.568 10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.956 8.382 8.860 1.00 0.00 H new ATOM 0 HE ARG A 34 1.261 10.678 8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.614 9.901 10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.880 11.575 11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.915 12.826 9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.455 13.224 10.495 1.00 0.00 H new ATOM 511 N ILE A 35 -1.969 5.691 5.916 1.00 0.00 N ATOM 512 CA ILE A 35 -1.656 5.487 4.508 1.00 0.00 C ATOM 513 C ILE A 35 -2.872 5.760 3.629 1.00 0.00 C ATOM 514 O ILE A 35 -2.791 6.503 2.652 1.00 0.00 O ATOM 515 CB ILE A 35 -1.157 4.054 4.244 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.111 3.775 5.053 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.900 3.848 2.758 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.535 2.324 5.030 1.00 0.00 C ATOM 0 H ILE A 35 -1.679 4.928 6.527 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.863 6.191 4.256 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.929 3.352 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.923 4.389 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.052 4.081 6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.548 2.831 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.824 4.010 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.144 4.556 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.441 2.200 5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.260 1.706 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.731 2.018 4.002 1.00 0.00 H new ATOM 530 N ALA A 36 -4.000 5.154 3.985 1.00 0.00 N ATOM 531 CA ALA A 36 -5.235 5.334 3.231 1.00 0.00 C ATOM 532 C ALA A 36 -5.457 6.802 2.884 1.00 0.00 C ATOM 533 O ALA A 36 -5.848 7.133 1.765 1.00 0.00 O ATOM 534 CB ALA A 36 -6.418 4.792 4.019 1.00 0.00 C ATOM 0 H ALA A 36 -4.084 4.534 4.791 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.147 4.776 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.333 4.933 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.271 3.729 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.499 5.325 4.966 1.00 0.00 H new ATOM 540 N SER A 37 -5.205 7.679 3.851 1.00 0.00 N ATOM 541 CA SER A 37 -5.381 9.112 3.648 1.00 0.00 C ATOM 542 C SER A 37 -4.676 9.572 2.375 1.00 0.00 C ATOM 543 O SER A 37 -5.208 10.381 1.614 1.00 0.00 O ATOM 544 CB SER A 37 -4.844 9.889 4.851 1.00 0.00 C ATOM 545 OG SER A 37 -5.449 11.167 4.945 1.00 0.00 O ATOM 0 H SER A 37 -4.878 7.422 4.782 1.00 0.00 H new ATOM 0 HA SER A 37 -6.448 9.310 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.033 9.326 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.763 10.001 4.763 1.00 0.00 H new ATOM 0 HG SER A 37 -5.090 11.643 5.723 1.00 0.00 H new ATOM 551 N LEU A 38 -3.475 9.050 2.151 1.00 0.00 N ATOM 552 CA LEU A 38 -2.695 9.406 0.970 1.00 0.00 C ATOM 553 C LEU A 38 -3.493 9.155 -0.305 1.00 0.00 C ATOM 554 O LEU A 38 -3.601 10.031 -1.165 1.00 0.00 O ATOM 555 CB LEU A 38 -1.392 8.605 0.936 1.00 0.00 C ATOM 556 CG LEU A 38 -0.537 8.660 2.202 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.576 7.625 2.140 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.039 10.055 2.397 1.00 0.00 C ATOM 0 H LEU A 38 -3.020 8.379 2.771 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.460 10.469 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.635 7.562 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.791 8.963 0.100 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.173 8.429 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.174 7.679 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.142 6.629 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.210 7.824 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.645 10.075 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.660 10.315 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.774 10.775 2.488 1.00 0.00 H new ATOM 570 N LEU A 39 -4.052 7.956 -0.421 1.00 0.00 N ATOM 571 CA LEU A 39 -4.843 7.590 -1.591 1.00 0.00 C ATOM 572 C LEU A 39 -6.284 8.068 -1.445 1.00 0.00 C ATOM 573 O LEU A 39 -6.893 7.923 -0.385 1.00 0.00 O ATOM 574 CB LEU A 39 -4.815 6.075 -1.797 1.00 0.00 C ATOM 575 CG LEU A 39 -3.430 5.425 -1.812 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.516 3.975 -1.361 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.812 5.518 -3.199 1.00 0.00 C ATOM 0 H LEU A 39 -3.972 7.220 0.281 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.404 8.077 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.404 5.610 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.311 5.847 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.789 5.964 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.522 3.529 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.916 3.932 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.173 3.423 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.827 5.051 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.451 5.005 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.714 6.565 -3.484 1.00 0.00 H new ATOM 589 N HIS A 40 -6.825 8.636 -2.518 1.00 0.00 N ATOM 590 CA HIS A 40 -8.197 9.133 -2.511 1.00 0.00 C ATOM 591 C HIS A 40 -9.184 8.006 -2.798 1.00 0.00 C ATOM 592 O HIS A 40 -8.948 7.168 -3.669 1.00 0.00 O ATOM 593 CB HIS A 40 -8.363 10.249 -3.543 1.00 0.00 C ATOM 594 CG HIS A 40 -8.591 9.747 -4.936 1.00 0.00 C ATOM 595 ND1 HIS A 40 -7.828 8.753 -5.512 1.00 0.00 N ATOM 596 CD2 HIS A 40 -9.504 10.106 -5.868 1.00 0.00 C ATOM 597 CE1 HIS A 40 -8.261 8.524 -6.739 1.00 0.00 C ATOM 598 NE2 HIS A 40 -9.278 9.331 -6.979 1.00 0.00 N ATOM 0 H HIS A 40 -6.335 8.764 -3.403 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.408 9.533 -1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.202 10.881 -3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.472 10.877 -3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.268 10.861 -5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.853 7.800 -7.428 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.810 9.372 -7.849 1.00 0.00 H new ATOM 607 N ARG A 41 -10.289 7.992 -2.060 1.00 0.00 N ATOM 608 CA ARG A 41 -11.311 6.967 -2.235 1.00 0.00 C ATOM 609 C ARG A 41 -10.806 5.609 -1.759 1.00 0.00 C ATOM 610 O ARG A 41 -11.078 4.580 -2.379 1.00 0.00 O ATOM 611 CB ARG A 41 -11.732 6.881 -3.703 1.00 0.00 C ATOM 612 CG ARG A 41 -11.989 8.236 -4.344 1.00 0.00 C ATOM 613 CD ARG A 41 -12.767 8.099 -5.643 1.00 0.00 C ATOM 614 NE ARG A 41 -13.304 9.380 -6.096 1.00 0.00 N ATOM 615 CZ ARG A 41 -14.404 9.933 -5.599 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.081 9.321 -4.636 1.00 0.00 N ATOM 617 NH2 ARG A 41 -14.830 11.101 -6.063 1.00 0.00 N ATOM 0 H ARG A 41 -10.499 8.678 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.176 7.245 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.954 6.364 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.635 6.276 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.544 8.868 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.039 8.734 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.116 7.686 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.585 7.392 -5.503 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.806 9.877 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.757 8.424 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.926 9.748 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.312 11.575 -6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.675 11.524 -5.680 1.00 0.00 H new ATOM 631 N LYS A 42 -10.067 5.612 -0.655 1.00 0.00 N ATOM 632 CA LYS A 42 -9.522 4.381 -0.095 1.00 0.00 C ATOM 633 C LYS A 42 -9.601 4.395 1.429 1.00 0.00 C ATOM 634 O LYS A 42 -9.936 5.414 2.033 1.00 0.00 O ATOM 635 CB LYS A 42 -8.070 4.192 -0.539 1.00 0.00 C ATOM 636 CG LYS A 42 -7.929 3.763 -1.990 1.00 0.00 C ATOM 637 CD LYS A 42 -8.490 2.369 -2.216 1.00 0.00 C ATOM 638 CE LYS A 42 -8.321 1.928 -3.662 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.096 2.789 -4.598 1.00 0.00 N ATOM 0 H LYS A 42 -9.832 6.454 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.119 3.548 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.529 5.127 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.598 3.445 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.448 4.474 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.877 3.784 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.986 1.662 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.547 2.354 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.265 1.959 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.646 0.893 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.428 2.218 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.914 3.194 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.488 3.557 -4.947 1.00 0.00 H new ATOM 653 N SER A 43 -9.288 3.259 2.044 1.00 0.00 N ATOM 654 CA SER A 43 -9.325 3.141 3.497 1.00 0.00 C ATOM 655 C SER A 43 -8.323 2.098 3.983 1.00 0.00 C ATOM 656 O SER A 43 -7.821 1.292 3.201 1.00 0.00 O ATOM 657 CB SER A 43 -10.734 2.768 3.963 1.00 0.00 C ATOM 658 OG SER A 43 -10.832 2.815 5.376 1.00 0.00 O ATOM 0 H SER A 43 -9.006 2.407 1.559 1.00 0.00 H new ATOM 0 HA SER A 43 -9.053 4.107 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.459 3.452 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.984 1.767 3.611 1.00 0.00 H new ATOM 0 HG SER A 43 -11.742 2.574 5.649 1.00 0.00 H new ATOM 664 N ALA A 44 -8.037 2.122 5.280 1.00 0.00 N ATOM 665 CA ALA A 44 -7.097 1.178 5.873 1.00 0.00 C ATOM 666 C ALA A 44 -7.370 -0.243 5.392 1.00 0.00 C ATOM 667 O ALA A 44 -6.480 -0.915 4.870 1.00 0.00 O ATOM 668 CB ALA A 44 -7.167 1.246 7.391 1.00 0.00 C ATOM 0 H ALA A 44 -8.443 2.785 5.941 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.092 1.455 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.460 0.536 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.915 2.254 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.176 0.997 7.720 1.00 0.00 H new ATOM 674 N LYS A 45 -8.606 -0.696 5.571 1.00 0.00 N ATOM 675 CA LYS A 45 -8.997 -2.038 5.156 1.00 0.00 C ATOM 676 C LYS A 45 -8.504 -2.336 3.744 1.00 0.00 C ATOM 677 O LYS A 45 -7.838 -3.344 3.509 1.00 0.00 O ATOM 678 CB LYS A 45 -10.519 -2.190 5.219 1.00 0.00 C ATOM 679 CG LYS A 45 -10.981 -3.633 5.326 1.00 0.00 C ATOM 680 CD LYS A 45 -10.968 -4.325 3.973 1.00 0.00 C ATOM 681 CE LYS A 45 -11.185 -5.824 4.111 1.00 0.00 C ATOM 682 NZ LYS A 45 -10.002 -6.503 4.709 1.00 0.00 N ATOM 0 H LYS A 45 -9.355 -0.153 6.001 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.538 -2.751 5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.897 -1.632 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.958 -1.742 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.334 -4.173 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.988 -3.664 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.746 -3.901 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.016 -4.138 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.062 -6.008 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.393 -6.253 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.085 -7.530 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.135 -6.161 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.958 -6.292 5.727 1.00 0.00 H new ATOM 696 N GLN A 46 -8.834 -1.452 2.808 1.00 0.00 N ATOM 697 CA GLN A 46 -8.423 -1.621 1.419 1.00 0.00 C ATOM 698 C GLN A 46 -6.903 -1.655 1.301 1.00 0.00 C ATOM 699 O GLN A 46 -6.338 -2.558 0.683 1.00 0.00 O ATOM 700 CB GLN A 46 -8.987 -0.491 0.557 1.00 0.00 C ATOM 701 CG GLN A 46 -10.390 -0.764 0.038 1.00 0.00 C ATOM 702 CD GLN A 46 -10.561 -2.184 -0.463 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.466 -2.901 -0.035 1.00 0.00 O ATOM 704 NE2 GLN A 46 -9.689 -2.600 -1.375 1.00 0.00 N ATOM 0 H GLN A 46 -9.384 -0.612 2.986 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.818 -2.572 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.997 0.430 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.321 -0.324 -0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.111 -0.574 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.616 -0.068 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.954 -1.972 -1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.754 -3.547 -1.748 1.00 0.00 H new ATOM 713 N CYS A 47 -6.246 -0.667 1.898 1.00 0.00 N ATOM 714 CA CYS A 47 -4.790 -0.583 1.859 1.00 0.00 C ATOM 715 C CYS A 47 -4.158 -1.886 2.336 1.00 0.00 C ATOM 716 O CYS A 47 -3.145 -2.332 1.796 1.00 0.00 O ATOM 717 CB CYS A 47 -4.302 0.581 2.723 1.00 0.00 C ATOM 718 SG CYS A 47 -4.644 2.213 2.024 1.00 0.00 S ATOM 0 H CYS A 47 -6.698 0.087 2.415 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.488 -0.410 0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.771 0.512 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.227 0.481 2.875 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.903 2.496 2.179 1.00 0.00 H new ATOM 724 N LYS A 48 -4.761 -2.493 3.352 1.00 0.00 N ATOM 725 CA LYS A 48 -4.258 -3.746 3.903 1.00 0.00 C ATOM 726 C LYS A 48 -4.572 -4.914 2.974 1.00 0.00 C ATOM 727 O LYS A 48 -3.746 -5.807 2.783 1.00 0.00 O ATOM 728 CB LYS A 48 -4.866 -4.000 5.284 1.00 0.00 C ATOM 729 CG LYS A 48 -4.102 -5.023 6.107 1.00 0.00 C ATOM 730 CD LYS A 48 -4.538 -5.006 7.563 1.00 0.00 C ATOM 731 CE LYS A 48 -3.768 -6.026 8.387 1.00 0.00 C ATOM 732 NZ LYS A 48 -4.341 -7.393 8.254 1.00 0.00 N ATOM 0 H LYS A 48 -5.600 -2.137 3.811 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.175 -3.663 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.904 -3.059 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.895 -4.339 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.260 -6.018 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.033 -4.817 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.384 -4.010 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.606 -5.216 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.725 -6.037 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.779 -5.728 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.788 -8.059 8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.328 -7.389 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.308 -7.688 7.257 1.00 0.00 H new ATOM 746 N ALA A 49 -5.770 -4.901 2.399 1.00 0.00 N ATOM 747 CA ALA A 49 -6.191 -5.958 1.488 1.00 0.00 C ATOM 748 C ALA A 49 -5.419 -5.890 0.174 1.00 0.00 C ATOM 749 O ALA A 49 -4.662 -6.801 -0.160 1.00 0.00 O ATOM 750 CB ALA A 49 -7.687 -5.866 1.228 1.00 0.00 C ATOM 0 H ALA A 49 -6.466 -4.170 2.548 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.973 -6.917 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.987 -6.661 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.227 -5.972 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.920 -4.899 0.782 1.00 0.00 H new ATOM 756 N ARG A 50 -5.617 -4.804 -0.567 1.00 0.00 N ATOM 757 CA ARG A 50 -4.941 -4.619 -1.845 1.00 0.00 C ATOM 758 C ARG A 50 -3.463 -4.984 -1.737 1.00 0.00 C ATOM 759 O ARG A 50 -2.892 -5.577 -2.652 1.00 0.00 O ATOM 760 CB ARG A 50 -5.086 -3.171 -2.318 1.00 0.00 C ATOM 761 CG ARG A 50 -4.097 -2.783 -3.405 1.00 0.00 C ATOM 762 CD ARG A 50 -4.220 -3.689 -4.619 1.00 0.00 C ATOM 763 NE ARG A 50 -3.858 -3.001 -5.855 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.214 -3.423 -7.063 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.938 -4.525 -7.197 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.846 -2.741 -8.141 1.00 0.00 N ATOM 0 H ARG A 50 -6.240 -4.040 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.409 -5.281 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.099 -3.019 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.956 -2.504 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.269 -1.749 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.082 -2.837 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.578 -4.560 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.244 -4.056 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.301 -2.149 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.223 -5.051 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.210 -4.847 -8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.289 -1.892 -8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.120 -3.066 -9.068 1.00 0.00 H new ATOM 780 N TRP A 51 -2.852 -4.625 -0.614 1.00 0.00 N ATOM 781 CA TRP A 51 -1.440 -4.915 -0.386 1.00 0.00 C ATOM 782 C TRP A 51 -1.205 -6.416 -0.267 1.00 0.00 C ATOM 783 O TRP A 51 -0.658 -7.042 -1.176 1.00 0.00 O ATOM 784 CB TRP A 51 -0.951 -4.207 0.878 1.00 0.00 C ATOM 785 CG TRP A 51 0.371 -4.714 1.369 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.581 -5.672 2.319 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.667 -4.288 0.933 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.929 -5.867 2.502 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.617 -5.031 1.663 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.118 -3.354 -0.002 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.987 -4.865 1.484 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.479 -3.190 -0.178 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.401 -3.943 0.561 1.00 0.00 C ATOM 0 H TRP A 51 -3.311 -4.133 0.153 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.876 -4.545 -1.242 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.871 -3.138 0.679 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.694 -4.330 1.666 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.198 -6.199 2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.349 -6.527 3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.415 -2.770 -0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.699 -5.444 2.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.838 -2.469 -0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.458 -3.793 0.399 1.00 0.00 H new ATOM 804 N TYR A 52 -1.621 -6.989 0.857 1.00 0.00 N ATOM 805 CA TYR A 52 -1.453 -8.417 1.094 1.00 0.00 C ATOM 806 C TYR A 52 -2.060 -9.234 -0.043 1.00 0.00 C ATOM 807 O TYR A 52 -1.751 -10.414 -0.207 1.00 0.00 O ATOM 808 CB TYR A 52 -2.100 -8.814 2.423 1.00 0.00 C ATOM 809 CG TYR A 52 -1.265 -8.457 3.632 1.00 0.00 C ATOM 810 CD1 TYR A 52 0.023 -8.954 3.784 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.766 -7.621 4.624 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.788 -8.631 4.888 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.007 -7.291 5.730 1.00 0.00 C ATOM 814 CZ TYR A 52 0.269 -7.799 5.858 1.00 0.00 C ATOM 815 OH TYR A 52 1.028 -7.474 6.958 1.00 0.00 O ATOM 0 H TYR A 52 -2.077 -6.486 1.618 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.385 -8.628 1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.071 -8.326 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.283 -9.889 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.434 -9.604 3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.765 -7.223 4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.787 -9.028 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.410 -6.639 6.490 1.00 0.00 H new ATOM 0 HH TYR A 52 0.516 -6.879 7.544 1.00 0.00 H new ATOM 825 N GLU A 53 -2.925 -8.596 -0.825 1.00 0.00 N ATOM 826 CA GLU A 53 -3.575 -9.263 -1.947 1.00 0.00 C ATOM 827 C GLU A 53 -2.569 -9.577 -3.050 1.00 0.00 C ATOM 828 O GLU A 53 -2.424 -10.728 -3.464 1.00 0.00 O ATOM 829 CB GLU A 53 -4.703 -8.391 -2.503 1.00 0.00 C ATOM 830 CG GLU A 53 -6.001 -8.504 -1.722 1.00 0.00 C ATOM 831 CD GLU A 53 -6.905 -9.601 -2.250 1.00 0.00 C ATOM 832 OE1 GLU A 53 -7.712 -9.319 -3.161 1.00 0.00 O ATOM 833 OE2 GLU A 53 -6.806 -10.742 -1.752 1.00 0.00 O ATOM 0 H GLU A 53 -3.192 -7.619 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.995 -10.201 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.379 -7.350 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.888 -8.669 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.774 -8.698 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.529 -7.552 -1.763 1.00 0.00 H new ATOM 840 N TRP A 54 -1.877 -8.546 -3.523 1.00 0.00 N ATOM 841 CA TRP A 54 -0.885 -8.712 -4.579 1.00 0.00 C ATOM 842 C TRP A 54 0.449 -8.093 -4.175 1.00 0.00 C ATOM 843 O TRP A 54 1.512 -8.640 -4.468 1.00 0.00 O ATOM 844 CB TRP A 54 -1.383 -8.077 -5.879 1.00 0.00 C ATOM 845 CG TRP A 54 -2.875 -8.095 -6.015 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.714 -7.018 -5.979 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.704 -9.246 -6.207 1.00 0.00 C ATOM 848 NE1 TRP A 54 -5.016 -7.431 -6.137 1.00 0.00 N ATOM 849 CE2 TRP A 54 -5.036 -8.793 -6.280 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.452 -10.615 -6.327 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -6.109 -9.661 -6.465 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.517 -11.476 -6.511 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.832 -10.997 -6.579 1.00 0.00 C ATOM 0 H TRP A 54 -1.985 -7.587 -3.192 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.735 -9.780 -4.738 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.033 -7.046 -5.929 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.942 -8.604 -6.725 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.401 -5.993 -5.846 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.834 -6.822 -6.146 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.442 -10.994 -6.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.123 -9.294 -6.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.333 -12.536 -6.604 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.643 -11.695 -6.724 1.00 0.00 H new ATOM 864 N LEU A 55 0.385 -6.951 -3.500 1.00 0.00 N ATOM 865 CA LEU A 55 1.589 -6.257 -3.055 1.00 0.00 C ATOM 866 C LEU A 55 2.090 -6.830 -1.733 1.00 0.00 C ATOM 867 O LEU A 55 1.677 -6.392 -0.659 1.00 0.00 O ATOM 868 CB LEU A 55 1.313 -4.760 -2.904 1.00 0.00 C ATOM 869 CG LEU A 55 0.241 -4.179 -3.827 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.086 -2.685 -3.589 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.584 -4.457 -5.283 1.00 0.00 C ATOM 0 H LEU A 55 -0.487 -6.486 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 55 2.362 -6.403 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.019 -4.567 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.244 -4.220 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.709 -4.663 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.681 -2.288 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.206 -2.510 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.034 -2.185 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.189 -4.037 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.544 -4.000 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.644 -5.533 -5.444 1.00 0.00 H new ATOM 883 N ASP A 56 2.983 -7.809 -1.819 1.00 0.00 N ATOM 884 CA ASP A 56 3.543 -8.440 -0.629 1.00 0.00 C ATOM 885 C ASP A 56 4.657 -9.413 -1.004 1.00 0.00 C ATOM 886 O ASP A 56 4.570 -10.144 -1.991 1.00 0.00 O ATOM 887 CB ASP A 56 2.449 -9.172 0.149 1.00 0.00 C ATOM 888 CG ASP A 56 2.935 -9.677 1.494 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.584 -10.742 1.528 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.664 -9.006 2.512 1.00 0.00 O ATOM 0 H ASP A 56 3.335 -8.183 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 56 3.965 -7.658 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.603 -8.501 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.087 -10.013 -0.443 1.00 0.00 H new ATOM 895 N PRO A 57 5.729 -9.424 -0.198 1.00 0.00 N ATOM 896 CA PRO A 57 6.881 -10.302 -0.425 1.00 0.00 C ATOM 897 C PRO A 57 6.551 -11.769 -0.167 1.00 0.00 C ATOM 898 O PRO A 57 6.863 -12.637 -0.982 1.00 0.00 O ATOM 899 CB PRO A 57 7.914 -9.801 0.587 1.00 0.00 C ATOM 900 CG PRO A 57 7.109 -9.169 1.670 1.00 0.00 C ATOM 901 CD PRO A 57 5.900 -8.579 0.996 1.00 0.00 C ATOM 0 HA PRO A 57 7.224 -10.265 -1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.521 -10.621 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.598 -9.084 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.818 -9.905 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.684 -8.399 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.023 -8.614 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.058 -7.534 0.729 1.00 0.00 H new