USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 22 THR OG1 : rot -65:sc= 1.83 USER MOD Set 1.2: A 24 CYS SG : rot 72:sc= 1.18 USER MOD Set 1.3: A 26 HIS : no HD1:sc= -0.194 K(o=3.1,f=-3.9!) USER MOD Set 1.4: A 44 CYS SG : rot -103:sc= 0.281 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 172:sc= 1.28 (180deg=-0.0854) USER MOD Set 2.2: A 48 ASN : amide:sc= 0.966 K(o=2.2,f=-6.5) USER MOD Set 3.1: A 9 CYS SG : rot -154:sc= -0.0722 USER MOD Set 3.2: A 12 CYS SG : rot -66:sc= 0.219 USER MOD Set 3.3: A 14 MET CE :methyl 161:sc= -0.952 (180deg=-1.08) USER MOD Set 3.4: A 29 CYS SG : rot 130:sc= 1.09 USER MOD Set 3.5: A 32 CYS SG : rot -166:sc= -2.46! USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.0411 (180deg=-0.263) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.975) USER MOD Single : A 36 SER OG : rot 82:sc= 1.2 USER MOD Single : A 42 HIS : no HE2:sc= -0.402 K(o=-0.4,f=-2.4) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 55 GLN : amide:sc= 0.597 K(o=0.6,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.234 -19.310 -15.336 1.00 0.00 N ATOM 105 CA GLU A 8 12.258 -19.994 -16.123 1.00 0.00 C ATOM 106 C GLU A 8 11.149 -19.031 -16.502 1.00 0.00 C ATOM 107 O GLU A 8 10.451 -18.502 -15.632 1.00 0.00 O ATOM 108 CB GLU A 8 11.722 -21.184 -15.349 1.00 0.00 C ATOM 109 CG GLU A 8 12.774 -22.245 -15.137 1.00 0.00 C ATOM 110 CD GLU A 8 12.316 -23.380 -14.267 1.00 0.00 C ATOM 111 OE1 GLU A 8 11.473 -24.183 -14.710 1.00 0.00 O ATOM 112 OE2 GLU A 8 12.811 -23.495 -13.131 1.00 0.00 O ATOM 0 HA GLU A 8 12.712 -20.367 -17.041 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.347 -20.848 -14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.877 -21.614 -15.886 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.079 -22.641 -16.106 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.655 -21.787 -14.688 1.00 0.00 H new ATOM 119 N CYS A 9 11.024 -18.785 -17.800 1.00 0.00 N ATOM 120 CA CYS A 9 9.990 -17.929 -18.352 1.00 0.00 C ATOM 121 C CYS A 9 8.626 -18.440 -17.922 1.00 0.00 C ATOM 122 O CYS A 9 8.213 -19.518 -18.336 1.00 0.00 O ATOM 123 CB CYS A 9 10.114 -17.939 -19.882 1.00 0.00 C ATOM 124 SG CYS A 9 8.758 -17.147 -20.823 1.00 0.00 S ATOM 0 H CYS A 9 11.647 -19.180 -18.504 1.00 0.00 H new ATOM 0 HA CYS A 9 10.105 -16.908 -17.987 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.048 -17.445 -20.151 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.195 -18.975 -20.210 1.00 0.00 H new ATOM 0 HG CYS A 9 8.692 -17.669 -22.012 1.00 0.00 H new ATOM 129 N PRO A 10 7.905 -17.676 -17.085 1.00 0.00 N ATOM 130 CA PRO A 10 6.635 -18.126 -16.492 1.00 0.00 C ATOM 131 C PRO A 10 5.569 -18.403 -17.542 1.00 0.00 C ATOM 132 O PRO A 10 4.612 -19.133 -17.289 1.00 0.00 O ATOM 133 CB PRO A 10 6.202 -16.929 -15.636 1.00 0.00 C ATOM 134 CG PRO A 10 7.449 -16.164 -15.392 1.00 0.00 C ATOM 135 CD PRO A 10 8.274 -16.328 -16.627 1.00 0.00 C ATOM 0 HA PRO A 10 6.759 -19.058 -15.941 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.460 -16.321 -16.154 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.749 -17.256 -14.700 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.232 -15.113 -15.203 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.976 -16.543 -14.516 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.041 -15.569 -17.374 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.340 -16.250 -16.415 1.00 0.00 H new ATOM 143 N ILE A 11 5.741 -17.826 -18.714 1.00 0.00 N ATOM 144 CA ILE A 11 4.805 -18.019 -19.799 1.00 0.00 C ATOM 145 C ILE A 11 4.827 -19.479 -20.288 1.00 0.00 C ATOM 146 O ILE A 11 3.776 -20.091 -20.497 1.00 0.00 O ATOM 147 CB ILE A 11 5.092 -17.048 -20.970 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.834 -15.606 -20.517 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.207 -17.381 -22.173 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.292 -14.557 -21.509 1.00 0.00 C ATOM 0 H ILE A 11 6.527 -17.216 -18.939 1.00 0.00 H new ATOM 0 HA ILE A 11 3.808 -17.798 -19.418 1.00 0.00 H new ATOM 0 HB ILE A 11 6.135 -17.155 -21.267 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.767 -15.478 -20.336 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.341 -15.438 -19.567 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.423 -16.688 -22.986 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.408 -18.401 -22.502 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.158 -17.292 -21.889 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.074 -13.564 -21.115 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.365 -14.655 -21.673 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.767 -14.696 -22.454 1.00 0.00 H new ATOM 162 N CYS A 12 6.025 -20.038 -20.439 1.00 0.00 N ATOM 163 CA CYS A 12 6.172 -21.382 -20.985 1.00 0.00 C ATOM 164 C CYS A 12 6.584 -22.399 -19.919 1.00 0.00 C ATOM 165 O CYS A 12 6.375 -23.603 -20.087 1.00 0.00 O ATOM 166 CB CYS A 12 7.197 -21.372 -22.118 1.00 0.00 C ATOM 167 SG CYS A 12 8.844 -20.743 -21.637 1.00 0.00 S ATOM 0 H CYS A 12 6.904 -19.583 -20.192 1.00 0.00 H new ATOM 0 HA CYS A 12 5.198 -21.688 -21.368 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.306 -22.386 -22.502 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.812 -20.761 -22.935 1.00 0.00 H new ATOM 0 HG CYS A 12 8.757 -19.480 -21.342 1.00 0.00 H new ATOM 172 N LEU A 13 7.161 -21.897 -18.827 1.00 0.00 N ATOM 173 CA LEU A 13 7.714 -22.720 -17.742 1.00 0.00 C ATOM 174 C LEU A 13 8.769 -23.704 -18.257 1.00 0.00 C ATOM 175 O LEU A 13 8.949 -24.787 -17.700 1.00 0.00 O ATOM 176 CB LEU A 13 6.592 -23.468 -16.999 1.00 0.00 C ATOM 177 CG LEU A 13 5.574 -22.601 -16.248 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.450 -23.463 -15.696 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.250 -21.830 -15.124 1.00 0.00 C ATOM 0 H LEU A 13 7.261 -20.895 -18.666 1.00 0.00 H new ATOM 0 HA LEU A 13 8.207 -22.047 -17.041 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.052 -24.079 -17.722 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.052 -24.151 -16.285 1.00 0.00 H new ATOM 0 HG LEU A 13 5.151 -21.883 -16.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.736 -22.833 -15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.945 -23.972 -16.517 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.862 -24.202 -15.009 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.510 -21.221 -14.604 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.701 -22.531 -14.422 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.024 -21.184 -15.540 1.00 0.00 H new ATOM 191 N MET A 14 9.470 -23.323 -19.315 1.00 0.00 N ATOM 192 CA MET A 14 10.584 -24.127 -19.798 1.00 0.00 C ATOM 193 C MET A 14 11.895 -23.594 -19.241 1.00 0.00 C ATOM 194 O MET A 14 12.548 -24.240 -18.425 1.00 0.00 O ATOM 195 CB MET A 14 10.656 -24.140 -21.332 1.00 0.00 C ATOM 196 CG MET A 14 9.489 -24.818 -22.028 1.00 0.00 C ATOM 197 SD MET A 14 9.713 -24.904 -23.822 1.00 0.00 S ATOM 198 CE MET A 14 9.625 -23.170 -24.274 1.00 0.00 C ATOM 0 H MET A 14 9.291 -22.473 -19.850 1.00 0.00 H new ATOM 0 HA MET A 14 10.420 -25.148 -19.454 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.721 -23.111 -21.686 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.577 -24.639 -21.632 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.368 -25.826 -21.631 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.571 -24.275 -21.805 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.070 -23.028 -25.259 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.582 -22.853 -24.298 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.169 -22.575 -23.540 1.00 0.00 H new ATOM 208 N ALA A 15 12.242 -22.394 -19.683 1.00 0.00 N ATOM 209 CA ALA A 15 13.480 -21.705 -19.343 1.00 0.00 C ATOM 210 C ALA A 15 13.447 -20.370 -20.059 1.00 0.00 C ATOM 211 O ALA A 15 12.419 -20.025 -20.640 1.00 0.00 O ATOM 212 CB ALA A 15 14.694 -22.515 -19.805 1.00 0.00 C ATOM 0 H ALA A 15 11.648 -21.853 -20.311 1.00 0.00 H new ATOM 0 HA ALA A 15 13.564 -21.575 -18.264 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.608 -21.983 -19.541 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.688 -23.490 -19.317 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.651 -22.650 -20.886 1.00 0.00 H new ATOM 218 N LEU A 16 14.529 -19.617 -20.028 1.00 0.00 N ATOM 219 CA LEU A 16 14.579 -18.393 -20.807 1.00 0.00 C ATOM 220 C LEU A 16 15.222 -18.679 -22.145 1.00 0.00 C ATOM 221 O LEU A 16 16.440 -18.825 -22.239 1.00 0.00 O ATOM 222 CB LEU A 16 15.383 -17.307 -20.081 1.00 0.00 C ATOM 223 CG LEU A 16 14.852 -16.850 -18.727 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.774 -15.815 -18.108 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.445 -16.300 -18.860 1.00 0.00 C ATOM 0 H LEU A 16 15.368 -19.823 -19.486 1.00 0.00 H new ATOM 0 HA LEU A 16 13.560 -18.032 -20.946 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.400 -17.673 -19.941 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.445 -16.436 -20.734 1.00 0.00 H new ATOM 0 HG LEU A 16 14.820 -17.716 -18.066 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.375 -15.503 -17.143 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.765 -16.247 -17.969 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.845 -14.950 -18.767 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.086 -15.980 -17.882 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.450 -15.449 -19.541 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.787 -17.075 -19.252 1.00 0.00 H new ATOM 237 N ARG A 17 14.399 -18.762 -23.175 1.00 0.00 N ATOM 238 CA ARG A 17 14.871 -19.050 -24.518 1.00 0.00 C ATOM 239 C ARG A 17 15.727 -17.911 -25.048 1.00 0.00 C ATOM 240 O ARG A 17 16.790 -18.134 -25.615 1.00 0.00 O ATOM 241 CB ARG A 17 13.680 -19.331 -25.430 1.00 0.00 C ATOM 242 CG ARG A 17 14.021 -19.731 -26.850 1.00 0.00 C ATOM 243 CD ARG A 17 12.756 -20.090 -27.601 1.00 0.00 C ATOM 244 NE ARG A 17 13.001 -20.468 -28.991 1.00 0.00 N ATOM 245 CZ ARG A 17 12.050 -20.885 -29.828 1.00 0.00 C ATOM 246 NH1 ARG A 17 10.799 -21.022 -29.399 1.00 0.00 N ATOM 247 NH2 ARG A 17 12.348 -21.177 -31.081 1.00 0.00 N ATOM 0 H ARG A 17 13.390 -18.632 -23.105 1.00 0.00 H new ATOM 0 HA ARG A 17 15.502 -19.938 -24.493 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.082 -20.125 -24.982 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.053 -18.440 -25.464 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.534 -18.912 -27.355 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.704 -20.580 -26.844 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.258 -20.914 -27.089 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.073 -19.241 -27.577 1.00 0.00 H new ATOM 0 HE ARG A 17 13.957 -20.409 -29.342 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.566 -20.808 -28.429 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.072 -21.341 -30.040 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.308 -21.084 -31.412 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.618 -21.496 -31.718 1.00 0.00 H new ATOM 261 N GLU A 18 15.270 -16.687 -24.833 1.00 0.00 N ATOM 262 CA GLU A 18 16.020 -15.526 -25.293 1.00 0.00 C ATOM 263 C GLU A 18 16.348 -14.578 -24.152 1.00 0.00 C ATOM 264 O GLU A 18 17.189 -13.689 -24.300 1.00 0.00 O ATOM 265 CB GLU A 18 15.286 -14.793 -26.406 1.00 0.00 C ATOM 266 CG GLU A 18 15.096 -15.625 -27.659 1.00 0.00 C ATOM 267 CD GLU A 18 16.404 -16.093 -28.266 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.309 -15.250 -28.489 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.543 -17.311 -28.520 1.00 0.00 O ATOM 0 H GLU A 18 14.397 -16.472 -24.351 1.00 0.00 H new ATOM 0 HA GLU A 18 16.962 -15.898 -25.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.310 -14.476 -26.039 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.839 -13.889 -26.661 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.481 -16.493 -27.422 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.549 -15.039 -28.397 1.00 0.00 H new ATOM 276 N ALA A 19 15.665 -14.769 -23.025 1.00 0.00 N ATOM 277 CA ALA A 19 15.892 -13.990 -21.808 1.00 0.00 C ATOM 278 C ALA A 19 15.822 -12.486 -22.064 1.00 0.00 C ATOM 279 O ALA A 19 16.762 -11.750 -21.763 1.00 0.00 O ATOM 280 CB ALA A 19 17.230 -14.364 -21.182 1.00 0.00 C ATOM 0 H ALA A 19 14.933 -15.473 -22.929 1.00 0.00 H new ATOM 0 HA ALA A 19 15.091 -14.235 -21.111 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.385 -13.776 -20.277 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.230 -15.425 -20.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.033 -14.159 -21.890 1.00 0.00 H new ATOM 286 N VAL A 20 14.707 -12.030 -22.604 1.00 0.00 N ATOM 287 CA VAL A 20 14.531 -10.618 -22.852 1.00 0.00 C ATOM 288 C VAL A 20 14.213 -9.909 -21.543 1.00 0.00 C ATOM 289 O VAL A 20 13.209 -10.197 -20.886 1.00 0.00 O ATOM 290 CB VAL A 20 13.453 -10.316 -23.942 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.884 -10.870 -25.291 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.087 -10.879 -23.566 1.00 0.00 C ATOM 0 H VAL A 20 13.917 -12.615 -22.876 1.00 0.00 H new ATOM 0 HA VAL A 20 15.468 -10.234 -23.255 1.00 0.00 H new ATOM 0 HB VAL A 20 13.363 -9.232 -24.009 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.120 -10.649 -26.036 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.826 -10.409 -25.590 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.016 -11.949 -25.216 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.369 -10.646 -24.352 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.159 -11.960 -23.449 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.756 -10.434 -22.628 1.00 0.00 H new ATOM 302 N GLN A 21 15.102 -9.034 -21.143 1.00 0.00 N ATOM 303 CA GLN A 21 14.977 -8.338 -19.885 1.00 0.00 C ATOM 304 C GLN A 21 14.014 -7.173 -20.015 1.00 0.00 C ATOM 305 O GLN A 21 14.219 -6.271 -20.831 1.00 0.00 O ATOM 306 CB GLN A 21 16.350 -7.859 -19.418 1.00 0.00 C ATOM 307 CG GLN A 21 16.370 -7.229 -18.040 1.00 0.00 C ATOM 308 CD GLN A 21 17.748 -6.728 -17.666 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.515 -6.279 -18.522 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.087 -6.819 -16.404 1.00 0.00 N ATOM 0 H GLN A 21 15.933 -8.784 -21.680 1.00 0.00 H new ATOM 0 HA GLN A 21 14.575 -9.024 -19.139 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.036 -8.706 -19.425 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.731 -7.135 -20.138 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.662 -6.400 -18.010 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.037 -7.959 -17.303 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.426 -7.196 -15.724 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.012 -6.513 -16.101 1.00 0.00 H new ATOM 319 N THR A 22 12.978 -7.196 -19.219 1.00 0.00 N ATOM 320 CA THR A 22 12.003 -6.149 -19.218 1.00 0.00 C ATOM 321 C THR A 22 12.435 -5.064 -18.233 1.00 0.00 C ATOM 322 O THR A 22 13.260 -5.327 -17.348 1.00 0.00 O ATOM 323 CB THR A 22 10.607 -6.698 -18.819 1.00 0.00 C ATOM 324 OG1 THR A 22 10.642 -7.222 -17.480 1.00 0.00 O ATOM 325 CG2 THR A 22 10.169 -7.797 -19.777 1.00 0.00 C ATOM 0 H THR A 22 12.790 -7.945 -18.553 1.00 0.00 H new ATOM 0 HA THR A 22 11.931 -5.731 -20.222 1.00 0.00 H new ATOM 0 HB THR A 22 9.893 -5.876 -18.869 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.237 -8.000 -17.449 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.188 -8.169 -19.480 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.114 -7.397 -20.789 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.890 -8.614 -19.748 1.00 0.00 H new ATOM 333 N PRO A 23 11.889 -3.837 -18.359 1.00 0.00 N ATOM 334 CA PRO A 23 12.208 -2.722 -17.450 1.00 0.00 C ATOM 335 C PRO A 23 11.903 -3.075 -16.000 1.00 0.00 C ATOM 336 O PRO A 23 12.563 -2.593 -15.079 1.00 0.00 O ATOM 337 CB PRO A 23 11.273 -1.607 -17.918 1.00 0.00 C ATOM 338 CG PRO A 23 10.992 -1.936 -19.338 1.00 0.00 C ATOM 339 CD PRO A 23 10.937 -3.426 -19.408 1.00 0.00 C ATOM 0 HA PRO A 23 13.265 -2.456 -17.480 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.358 -1.581 -17.327 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.742 -0.628 -17.822 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.050 -1.494 -19.662 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.770 -1.542 -19.992 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.933 -3.803 -19.214 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.232 -3.796 -20.390 1.00 0.00 H new ATOM 347 N CYS A 24 10.899 -3.923 -15.807 1.00 0.00 N ATOM 348 CA CYS A 24 10.499 -4.365 -14.487 1.00 0.00 C ATOM 349 C CYS A 24 11.570 -5.234 -13.800 1.00 0.00 C ATOM 350 O CYS A 24 11.501 -5.473 -12.597 1.00 0.00 O ATOM 351 CB CYS A 24 9.156 -5.080 -14.548 1.00 0.00 C ATOM 352 SG CYS A 24 8.570 -5.486 -16.236 1.00 0.00 S ATOM 0 H CYS A 24 10.343 -4.320 -16.564 1.00 0.00 H new ATOM 0 HA CYS A 24 10.390 -3.474 -13.869 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.226 -6.003 -13.972 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.407 -4.456 -14.060 1.00 0.00 H new ATOM 0 HG CYS A 24 9.290 -6.452 -16.725 1.00 0.00 H new ATOM 357 N GLY A 25 12.545 -5.714 -14.571 1.00 0.00 N ATOM 358 CA GLY A 25 13.657 -6.442 -13.982 1.00 0.00 C ATOM 359 C GLY A 25 13.590 -7.943 -14.175 1.00 0.00 C ATOM 360 O GLY A 25 14.435 -8.677 -13.652 1.00 0.00 O ATOM 0 H GLY A 25 12.585 -5.613 -15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.587 -6.073 -14.414 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.693 -6.226 -12.914 1.00 0.00 H new ATOM 364 N HIS A 26 12.615 -8.409 -14.925 1.00 0.00 N ATOM 365 CA HIS A 26 12.477 -9.841 -15.178 1.00 0.00 C ATOM 366 C HIS A 26 12.615 -10.182 -16.651 1.00 0.00 C ATOM 367 O HIS A 26 12.634 -9.297 -17.495 1.00 0.00 O ATOM 368 CB HIS A 26 11.230 -10.471 -14.517 1.00 0.00 C ATOM 369 CG HIS A 26 10.001 -9.614 -14.491 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.450 -9.144 -13.316 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.211 -9.146 -15.481 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.382 -8.428 -13.578 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.206 -8.406 -14.888 1.00 0.00 N ATOM 0 H HIS A 26 11.906 -7.827 -15.371 1.00 0.00 H new ATOM 0 HA HIS A 26 13.321 -10.314 -14.676 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.993 -11.397 -15.041 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.483 -10.741 -13.492 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.341 -9.318 -16.539 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.754 -7.940 -12.848 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.454 -7.923 -15.379 1.00 0.00 H new ATOM 380 N ARG A 27 12.743 -11.462 -16.952 1.00 0.00 N ATOM 381 CA ARG A 27 13.101 -11.897 -18.297 1.00 0.00 C ATOM 382 C ARG A 27 12.117 -12.932 -18.846 1.00 0.00 C ATOM 383 O ARG A 27 11.619 -13.785 -18.110 1.00 0.00 O ATOM 384 CB ARG A 27 14.526 -12.456 -18.294 1.00 0.00 C ATOM 385 CG ARG A 27 15.576 -11.420 -17.926 1.00 0.00 C ATOM 386 CD ARG A 27 16.975 -11.998 -17.888 1.00 0.00 C ATOM 387 NE ARG A 27 17.949 -10.990 -17.471 1.00 0.00 N ATOM 388 CZ ARG A 27 19.272 -11.107 -17.595 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.802 -12.213 -18.106 1.00 0.00 N ATOM 390 NH2 ARG A 27 20.067 -10.119 -17.198 1.00 0.00 N ATOM 0 H ARG A 27 12.605 -12.221 -16.285 1.00 0.00 H new ATOM 0 HA ARG A 27 13.052 -11.030 -18.956 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.582 -13.286 -17.590 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.753 -12.859 -19.281 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.544 -10.603 -18.647 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.336 -10.995 -16.952 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.004 -12.843 -17.200 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.241 -12.380 -18.874 1.00 0.00 H new ATOM 0 HE ARG A 27 17.589 -10.132 -17.053 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.197 -12.977 -18.406 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.814 -12.298 -18.199 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.666 -9.271 -16.798 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.079 -10.209 -17.293 1.00 0.00 H new ATOM 404 N PHE A 28 11.830 -12.837 -20.130 1.00 0.00 N ATOM 405 CA PHE A 28 10.931 -13.768 -20.814 1.00 0.00 C ATOM 406 C PHE A 28 11.581 -14.260 -22.102 1.00 0.00 C ATOM 407 O PHE A 28 12.633 -13.763 -22.497 1.00 0.00 O ATOM 408 CB PHE A 28 9.591 -13.095 -21.154 1.00 0.00 C ATOM 409 CG PHE A 28 8.790 -12.639 -19.968 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.940 -13.514 -19.308 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.881 -11.335 -19.517 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.201 -13.094 -18.220 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.144 -10.910 -18.433 1.00 0.00 C ATOM 414 CZ PHE A 28 7.303 -11.790 -17.784 1.00 0.00 C ATOM 0 H PHE A 28 12.212 -12.112 -20.737 1.00 0.00 H new ATOM 0 HA PHE A 28 10.742 -14.607 -20.145 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.786 -12.235 -21.794 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.988 -13.794 -21.734 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.855 -14.535 -19.649 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.538 -10.641 -20.021 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.545 -13.785 -17.712 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.225 -9.889 -18.092 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.725 -11.458 -16.935 1.00 0.00 H new ATOM 424 N CYS A 29 10.992 -15.253 -22.738 1.00 0.00 N ATOM 425 CA CYS A 29 11.458 -15.669 -24.050 1.00 0.00 C ATOM 426 C CYS A 29 10.898 -14.720 -25.091 1.00 0.00 C ATOM 427 O CYS A 29 9.782 -14.231 -24.936 1.00 0.00 O ATOM 428 CB CYS A 29 10.976 -17.069 -24.364 1.00 0.00 C ATOM 429 SG CYS A 29 11.379 -18.303 -23.099 1.00 0.00 S ATOM 0 H CYS A 29 10.199 -15.783 -22.375 1.00 0.00 H new ATOM 0 HA CYS A 29 12.548 -15.655 -24.059 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.895 -17.046 -24.500 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.409 -17.385 -25.313 1.00 0.00 H new ATOM 0 HG CYS A 29 10.307 -18.969 -22.786 1.00 0.00 H new ATOM 434 N LYS A 30 11.642 -14.498 -26.161 1.00 0.00 N ATOM 435 CA LYS A 30 11.264 -13.514 -27.172 1.00 0.00 C ATOM 436 C LYS A 30 10.021 -13.944 -27.958 1.00 0.00 C ATOM 437 O LYS A 30 9.399 -13.143 -28.622 1.00 0.00 O ATOM 438 CB LYS A 30 12.429 -13.234 -28.123 1.00 0.00 C ATOM 439 CG LYS A 30 12.154 -12.121 -29.121 1.00 0.00 C ATOM 440 CD LYS A 30 13.334 -11.885 -30.031 1.00 0.00 C ATOM 441 CE LYS A 30 13.049 -10.768 -31.018 1.00 0.00 C ATOM 442 NZ LYS A 30 12.827 -9.473 -30.331 1.00 0.00 N ATOM 0 H LYS A 30 12.516 -14.986 -26.356 1.00 0.00 H new ATOM 0 HA LYS A 30 11.014 -12.594 -26.644 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.310 -12.973 -27.536 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.668 -14.147 -28.668 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.279 -12.376 -29.718 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.918 -11.202 -28.585 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.212 -11.633 -29.436 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.569 -12.802 -30.572 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.884 -10.673 -31.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.170 -11.021 -31.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.888 -8.698 -31.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.885 -9.471 -29.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.552 -9.340 -29.597 1.00 0.00 H new ATOM 456 N ALA A 31 9.631 -15.188 -27.833 1.00 0.00 N ATOM 457 CA ALA A 31 8.497 -15.671 -28.600 1.00 0.00 C ATOM 458 C ALA A 31 7.336 -15.979 -27.680 1.00 0.00 C ATOM 459 O ALA A 31 6.188 -16.062 -28.113 1.00 0.00 O ATOM 460 CB ALA A 31 8.890 -16.906 -29.394 1.00 0.00 C ATOM 0 H ALA A 31 10.068 -15.877 -27.221 1.00 0.00 H new ATOM 0 HA ALA A 31 8.187 -14.894 -29.298 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.032 -17.260 -29.965 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.702 -16.656 -30.076 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.218 -17.689 -28.710 1.00 0.00 H new ATOM 466 N CYS A 32 7.631 -16.121 -26.405 1.00 0.00 N ATOM 467 CA CYS A 32 6.597 -16.269 -25.416 1.00 0.00 C ATOM 468 C CYS A 32 6.007 -14.906 -25.084 1.00 0.00 C ATOM 469 O CYS A 32 4.786 -14.738 -25.036 1.00 0.00 O ATOM 470 CB CYS A 32 7.158 -16.924 -24.157 1.00 0.00 C ATOM 471 SG CYS A 32 8.013 -18.507 -24.451 1.00 0.00 S ATOM 0 H CYS A 32 8.581 -16.136 -26.034 1.00 0.00 H new ATOM 0 HA CYS A 32 5.811 -16.909 -25.816 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.853 -16.232 -23.681 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.342 -17.091 -23.454 1.00 0.00 H new ATOM 0 HG CYS A 32 8.199 -19.117 -23.318 1.00 0.00 H new ATOM 476 N ILE A 33 6.882 -13.925 -24.884 1.00 0.00 N ATOM 477 CA ILE A 33 6.450 -12.596 -24.490 1.00 0.00 C ATOM 478 C ILE A 33 5.644 -11.907 -25.597 1.00 0.00 C ATOM 479 O ILE A 33 4.614 -11.298 -25.325 1.00 0.00 O ATOM 480 CB ILE A 33 7.634 -11.700 -24.023 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.128 -10.402 -23.392 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.600 -11.400 -25.160 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.320 -10.611 -22.129 1.00 0.00 C ATOM 0 H ILE A 33 7.891 -14.029 -24.989 1.00 0.00 H new ATOM 0 HA ILE A 33 5.791 -12.732 -23.632 1.00 0.00 H new ATOM 0 HB ILE A 33 8.180 -12.262 -23.265 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.981 -9.763 -23.165 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.516 -9.870 -24.120 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.411 -10.772 -24.792 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.010 -12.334 -25.545 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.072 -10.879 -25.958 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.996 -9.646 -21.740 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.447 -11.223 -22.353 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.935 -11.115 -21.383 1.00 0.00 H new ATOM 495 N ILE A 34 6.082 -12.059 -26.846 1.00 0.00 N ATOM 496 CA ILE A 34 5.405 -11.434 -27.974 1.00 0.00 C ATOM 497 C ILE A 34 3.991 -11.965 -28.122 1.00 0.00 C ATOM 498 O ILE A 34 3.049 -11.200 -28.301 1.00 0.00 O ATOM 499 CB ILE A 34 6.185 -11.563 -29.315 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.473 -10.730 -29.265 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.324 -11.134 -30.499 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.373 -10.920 -30.471 1.00 0.00 C ATOM 0 H ILE A 34 6.902 -12.610 -27.099 1.00 0.00 H new ATOM 0 HA ILE A 34 5.363 -10.369 -27.746 1.00 0.00 H new ATOM 0 HB ILE A 34 6.447 -12.612 -29.451 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.210 -9.676 -29.183 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.029 -10.991 -28.364 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.897 -11.235 -31.421 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.437 -11.765 -30.551 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.022 -10.094 -30.372 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.262 -10.299 -30.363 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.668 -11.967 -30.544 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.836 -10.631 -31.375 1.00 0.00 H new ATOM 514 N LYS A 35 3.829 -13.270 -27.973 1.00 0.00 N ATOM 515 CA LYS A 35 2.536 -13.892 -28.207 1.00 0.00 C ATOM 516 C LYS A 35 1.615 -13.669 -26.998 1.00 0.00 C ATOM 517 O LYS A 35 0.447 -14.043 -27.008 1.00 0.00 O ATOM 518 CB LYS A 35 2.710 -15.396 -28.492 1.00 0.00 C ATOM 519 CG LYS A 35 1.436 -16.108 -28.942 1.00 0.00 C ATOM 520 CD LYS A 35 0.945 -15.557 -30.275 1.00 0.00 C ATOM 521 CE LYS A 35 -0.297 -16.280 -30.769 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.465 -16.046 -29.882 1.00 0.00 N ATOM 0 H LYS A 35 4.569 -13.914 -27.694 1.00 0.00 H new ATOM 0 HA LYS A 35 2.075 -13.431 -29.080 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.472 -15.521 -29.261 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.084 -15.883 -27.591 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.626 -17.177 -29.034 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.660 -15.986 -28.186 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.728 -14.494 -30.170 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.737 -15.648 -31.018 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.535 -15.944 -31.778 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.095 -17.349 -30.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.336 -16.334 -30.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.357 -16.604 -29.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.521 -15.036 -29.641 1.00 0.00 H new ATOM 536 N SER A 36 2.141 -13.016 -25.981 1.00 0.00 N ATOM 537 CA SER A 36 1.355 -12.696 -24.813 1.00 0.00 C ATOM 538 C SER A 36 0.996 -11.209 -24.806 1.00 0.00 C ATOM 539 O SER A 36 -0.004 -10.803 -24.212 1.00 0.00 O ATOM 540 CB SER A 36 2.137 -13.059 -23.550 1.00 0.00 C ATOM 541 OG SER A 36 2.517 -14.429 -23.571 1.00 0.00 O ATOM 0 H SER A 36 3.109 -12.698 -25.943 1.00 0.00 H new ATOM 0 HA SER A 36 0.431 -13.273 -24.837 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.025 -12.431 -23.473 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.528 -12.859 -22.669 1.00 0.00 H new ATOM 0 HG SER A 36 3.325 -14.536 -24.115 1.00 0.00 H new ATOM 547 N ILE A 37 1.786 -10.398 -25.508 1.00 0.00 N ATOM 548 CA ILE A 37 1.548 -8.961 -25.519 1.00 0.00 C ATOM 549 C ILE A 37 0.920 -8.490 -26.825 1.00 0.00 C ATOM 550 O ILE A 37 0.567 -7.325 -26.964 1.00 0.00 O ATOM 551 CB ILE A 37 2.825 -8.134 -25.216 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.920 -8.397 -26.256 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.329 -8.426 -23.809 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.144 -7.520 -26.091 1.00 0.00 C ATOM 0 H ILE A 37 2.582 -10.707 -26.066 1.00 0.00 H new ATOM 0 HA ILE A 37 0.838 -8.783 -24.711 1.00 0.00 H new ATOM 0 HB ILE A 37 2.563 -7.078 -25.275 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.223 -9.442 -26.195 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.506 -8.243 -27.252 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.225 -7.837 -23.614 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.558 -8.164 -23.085 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.565 -9.486 -23.720 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.874 -7.765 -26.863 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.856 -6.473 -26.183 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.584 -7.691 -25.108 1.00 0.00 H new ATOM 566 N ARG A 38 0.784 -9.393 -27.781 1.00 0.00 N ATOM 567 CA ARG A 38 0.133 -9.046 -29.040 1.00 0.00 C ATOM 568 C ARG A 38 -1.338 -9.462 -29.018 1.00 0.00 C ATOM 569 O ARG A 38 -2.133 -9.012 -29.844 1.00 0.00 O ATOM 570 CB ARG A 38 0.831 -9.734 -30.216 1.00 0.00 C ATOM 571 CG ARG A 38 0.663 -11.242 -30.211 1.00 0.00 C ATOM 572 CD ARG A 38 1.369 -11.902 -31.374 1.00 0.00 C ATOM 573 NE ARG A 38 0.835 -11.477 -32.665 1.00 0.00 N ATOM 574 CZ ARG A 38 -0.258 -11.975 -33.254 1.00 0.00 C ATOM 575 NH1 ARG A 38 -1.071 -12.806 -32.595 1.00 0.00 N ATOM 576 NH2 ARG A 38 -0.564 -11.591 -34.486 1.00 0.00 N ATOM 0 H ARG A 38 1.109 -10.358 -27.716 1.00 0.00 H new ATOM 0 HA ARG A 38 0.201 -7.965 -29.163 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.435 -9.334 -31.150 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.894 -9.493 -30.191 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.052 -11.646 -29.276 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.398 -11.487 -30.247 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.433 -11.668 -31.329 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.276 -12.984 -31.284 1.00 0.00 H new ATOM 0 HE ARG A 38 1.337 -10.739 -33.159 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.861 -13.067 -31.632 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.901 -13.179 -33.055 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.032 -10.923 -34.975 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.395 -11.964 -34.945 1.00 0.00 H new ATOM 590 N ASP A 39 -1.694 -10.319 -28.068 1.00 0.00 N ATOM 591 CA ASP A 39 -3.049 -10.868 -28.014 1.00 0.00 C ATOM 592 C ASP A 39 -3.787 -10.463 -26.764 1.00 0.00 C ATOM 593 O ASP A 39 -4.874 -9.886 -26.843 1.00 0.00 O ATOM 594 CB ASP A 39 -3.050 -12.397 -28.159 1.00 0.00 C ATOM 595 CG ASP A 39 -2.739 -12.864 -29.565 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.618 -12.738 -30.444 1.00 0.00 O ATOM 597 OD2 ASP A 39 -1.623 -13.371 -29.810 1.00 0.00 O ATOM 0 H ASP A 39 -1.072 -10.648 -27.330 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.580 -10.440 -28.864 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.317 -12.821 -27.472 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.025 -12.783 -27.863 1.00 0.00 H new ATOM 602 N ALA A 40 -3.207 -10.760 -25.611 1.00 0.00 N ATOM 603 CA ALA A 40 -3.833 -10.445 -24.337 1.00 0.00 C ATOM 604 C ALA A 40 -3.833 -8.944 -24.095 1.00 0.00 C ATOM 605 O ALA A 40 -4.885 -8.306 -24.067 1.00 0.00 O ATOM 606 CB ALA A 40 -3.122 -11.170 -23.207 1.00 0.00 C ATOM 0 H ALA A 40 -2.300 -11.220 -25.532 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.869 -10.783 -24.368 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.601 -10.925 -22.259 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.177 -12.246 -23.374 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.077 -10.860 -23.176 1.00 0.00 H new ATOM 612 N GLY A 41 -2.655 -8.389 -23.939 1.00 0.00 N ATOM 613 CA GLY A 41 -2.512 -6.972 -23.757 1.00 0.00 C ATOM 614 C GLY A 41 -1.080 -6.571 -23.948 1.00 0.00 C ATOM 615 O GLY A 41 -0.184 -7.387 -23.740 1.00 0.00 O ATOM 0 H GLY A 41 -1.776 -8.907 -23.935 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.145 -6.440 -24.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.847 -6.690 -22.759 1.00 0.00 H new ATOM 619 N HIS A 42 -0.852 -5.327 -24.307 1.00 0.00 N ATOM 620 CA HIS A 42 0.488 -4.839 -24.602 1.00 0.00 C ATOM 621 C HIS A 42 1.171 -4.425 -23.293 1.00 0.00 C ATOM 622 O HIS A 42 1.650 -3.298 -23.131 1.00 0.00 O ATOM 623 CB HIS A 42 0.393 -3.658 -25.575 1.00 0.00 C ATOM 624 CG HIS A 42 1.659 -3.350 -26.308 1.00 0.00 C ATOM 625 ND1 HIS A 42 2.416 -2.227 -26.075 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.279 -4.016 -27.310 1.00 0.00 C ATOM 627 CE1 HIS A 42 3.441 -2.211 -26.901 1.00 0.00 C ATOM 628 NE2 HIS A 42 3.383 -3.288 -27.662 1.00 0.00 N ATOM 0 H HIS A 42 -1.584 -4.623 -24.404 1.00 0.00 H new ATOM 0 HA HIS A 42 1.084 -5.622 -25.070 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.391 -3.867 -26.303 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.085 -2.772 -25.020 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.215 -1.516 -25.371 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.961 -4.950 -27.750 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.201 -1.445 -26.948 1.00 0.00 H new ATOM 637 N LYS A 43 1.200 -5.357 -22.372 1.00 0.00 N ATOM 638 CA LYS A 43 1.706 -5.147 -21.041 1.00 0.00 C ATOM 639 C LYS A 43 2.335 -6.430 -20.536 1.00 0.00 C ATOM 640 O LYS A 43 1.962 -7.527 -20.980 1.00 0.00 O ATOM 641 CB LYS A 43 0.553 -4.720 -20.120 1.00 0.00 C ATOM 642 CG LYS A 43 -0.561 -5.754 -20.037 1.00 0.00 C ATOM 643 CD LYS A 43 -1.733 -5.271 -19.210 1.00 0.00 C ATOM 644 CE LYS A 43 -2.865 -6.293 -19.205 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.470 -7.587 -18.586 1.00 0.00 N ATOM 0 H LYS A 43 0.863 -6.306 -22.533 1.00 0.00 H new ATOM 0 HA LYS A 43 2.461 -4.361 -21.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.945 -4.536 -19.120 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.139 -3.778 -20.479 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.904 -5.996 -21.043 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.168 -6.674 -19.604 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.406 -5.082 -18.187 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.097 -4.324 -19.609 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.717 -5.882 -18.664 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.193 -6.470 -20.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.308 -8.194 -18.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.769 -8.061 -19.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.056 -7.411 -17.648 1.00 0.00 H new ATOM 659 N CYS A 44 3.271 -6.295 -19.620 1.00 0.00 N ATOM 660 CA CYS A 44 3.948 -7.425 -19.030 1.00 0.00 C ATOM 661 C CYS A 44 2.916 -8.297 -18.299 1.00 0.00 C ATOM 662 O CYS A 44 2.197 -7.812 -17.416 1.00 0.00 O ATOM 663 CB CYS A 44 5.016 -6.896 -18.066 1.00 0.00 C ATOM 664 SG CYS A 44 6.102 -8.147 -17.301 1.00 0.00 S ATOM 0 H CYS A 44 3.584 -5.392 -19.263 1.00 0.00 H new ATOM 0 HA CYS A 44 4.433 -8.037 -19.790 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.641 -6.183 -18.605 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.516 -6.344 -17.270 1.00 0.00 H new ATOM 0 HG CYS A 44 5.729 -8.353 -16.073 1.00 0.00 H new ATOM 669 N PRO A 45 2.821 -9.590 -18.666 1.00 0.00 N ATOM 670 CA PRO A 45 1.764 -10.494 -18.172 1.00 0.00 C ATOM 671 C PRO A 45 1.708 -10.616 -16.653 1.00 0.00 C ATOM 672 O PRO A 45 0.627 -10.721 -16.071 1.00 0.00 O ATOM 673 CB PRO A 45 2.149 -11.849 -18.778 1.00 0.00 C ATOM 674 CG PRO A 45 2.958 -11.505 -19.976 1.00 0.00 C ATOM 675 CD PRO A 45 3.732 -10.281 -19.600 1.00 0.00 C ATOM 0 HA PRO A 45 0.779 -10.122 -18.454 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.721 -12.451 -18.072 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.266 -12.428 -19.048 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.625 -12.323 -20.247 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.320 -11.316 -20.839 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.681 -10.533 -19.127 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.962 -9.665 -20.470 1.00 0.00 H new ATOM 683 N VAL A 46 2.860 -10.586 -16.015 1.00 0.00 N ATOM 684 CA VAL A 46 2.936 -10.885 -14.593 1.00 0.00 C ATOM 685 C VAL A 46 2.595 -9.698 -13.685 1.00 0.00 C ATOM 686 O VAL A 46 1.835 -9.843 -12.724 1.00 0.00 O ATOM 687 CB VAL A 46 4.298 -11.520 -14.188 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.469 -12.877 -14.856 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.461 -10.609 -14.553 1.00 0.00 C ATOM 0 H VAL A 46 3.753 -10.360 -16.452 1.00 0.00 H new ATOM 0 HA VAL A 46 2.155 -11.628 -14.431 1.00 0.00 H new ATOM 0 HB VAL A 46 4.296 -11.653 -13.106 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.426 -13.309 -14.563 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.662 -13.540 -14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.442 -12.755 -15.939 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.399 -11.080 -14.258 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.465 -10.437 -15.629 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.354 -9.657 -14.034 1.00 0.00 H new ATOM 699 N ASP A 47 3.144 -8.538 -13.980 1.00 0.00 N ATOM 700 CA ASP A 47 3.002 -7.387 -13.088 1.00 0.00 C ATOM 701 C ASP A 47 2.208 -6.251 -13.716 1.00 0.00 C ATOM 702 O ASP A 47 2.071 -5.185 -13.119 1.00 0.00 O ATOM 703 CB ASP A 47 4.388 -6.891 -12.646 1.00 0.00 C ATOM 704 CG ASP A 47 5.300 -6.523 -13.804 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.930 -6.715 -14.967 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.428 -6.092 -13.578 1.00 0.00 O ATOM 0 H ASP A 47 3.691 -8.359 -14.822 1.00 0.00 H new ATOM 0 HA ASP A 47 2.437 -7.722 -12.218 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.265 -6.021 -12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.868 -7.666 -12.048 1.00 0.00 H new ATOM 711 N ASN A 48 1.668 -6.495 -14.905 1.00 0.00 N ATOM 712 CA ASN A 48 0.824 -5.520 -15.618 1.00 0.00 C ATOM 713 C ASN A 48 1.529 -4.180 -15.845 1.00 0.00 C ATOM 714 O ASN A 48 0.890 -3.121 -15.867 1.00 0.00 O ATOM 715 CB ASN A 48 -0.526 -5.316 -14.911 1.00 0.00 C ATOM 716 CG ASN A 48 -1.443 -6.516 -15.046 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.110 -6.682 -16.065 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.500 -7.348 -14.027 1.00 0.00 N ATOM 0 H ASN A 48 1.798 -7.372 -15.409 1.00 0.00 H new ATOM 0 HA ASN A 48 0.632 -5.948 -16.602 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.351 -5.114 -13.854 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.020 -4.438 -15.326 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.113 -8.163 -14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.932 -7.178 -13.197 1.00 0.00 H new ATOM 725 N GLU A 49 2.829 -4.228 -16.045 1.00 0.00 N ATOM 726 CA GLU A 49 3.597 -3.036 -16.352 1.00 0.00 C ATOM 727 C GLU A 49 3.696 -2.854 -17.859 1.00 0.00 C ATOM 728 O GLU A 49 3.676 -3.831 -18.605 1.00 0.00 O ATOM 729 CB GLU A 49 4.984 -3.103 -15.713 1.00 0.00 C ATOM 730 CG GLU A 49 4.963 -3.036 -14.192 1.00 0.00 C ATOM 731 CD GLU A 49 4.426 -1.717 -13.679 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.016 -0.664 -14.004 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.411 -1.718 -12.935 1.00 0.00 O ATOM 0 H GLU A 49 3.381 -5.085 -16.000 1.00 0.00 H new ATOM 0 HA GLU A 49 3.083 -2.171 -15.933 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.471 -4.029 -16.020 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.590 -2.282 -16.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.351 -3.850 -13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.973 -3.187 -13.811 1.00 0.00 H new ATOM 740 N ILE A 50 3.785 -1.611 -18.302 1.00 0.00 N ATOM 741 CA ILE A 50 3.814 -1.301 -19.725 1.00 0.00 C ATOM 742 C ILE A 50 5.087 -1.833 -20.362 1.00 0.00 C ATOM 743 O ILE A 50 6.198 -1.496 -19.943 1.00 0.00 O ATOM 744 CB ILE A 50 3.701 0.227 -19.982 1.00 0.00 C ATOM 745 CG1 ILE A 50 2.377 0.770 -19.430 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.832 0.545 -21.469 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.139 0.168 -20.068 1.00 0.00 C ATOM 0 H ILE A 50 3.839 -0.794 -17.694 1.00 0.00 H new ATOM 0 HA ILE A 50 2.951 -1.788 -20.179 1.00 0.00 H new ATOM 0 HB ILE A 50 4.522 0.718 -19.459 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.343 0.587 -18.356 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.355 1.851 -19.571 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.749 1.621 -21.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.801 0.202 -21.830 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.039 0.039 -22.020 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.248 0.608 -19.619 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.145 0.373 -21.139 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.133 -0.910 -19.905 1.00 0.00 H new ATOM 759 N LEU A 51 4.922 -2.678 -21.347 1.00 0.00 N ATOM 760 CA LEU A 51 6.039 -3.259 -22.031 1.00 0.00 C ATOM 761 C LEU A 51 5.918 -3.026 -23.525 1.00 0.00 C ATOM 762 O LEU A 51 4.885 -3.314 -24.127 1.00 0.00 O ATOM 763 CB LEU A 51 6.128 -4.753 -21.711 1.00 0.00 C ATOM 764 CG LEU A 51 7.254 -5.534 -22.387 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.614 -4.979 -21.983 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.149 -7.002 -22.025 1.00 0.00 C ATOM 0 H LEU A 51 4.011 -2.979 -21.694 1.00 0.00 H new ATOM 0 HA LEU A 51 6.957 -2.781 -21.689 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.237 -4.864 -20.632 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.180 -5.217 -21.985 1.00 0.00 H new ATOM 0 HG LEU A 51 7.155 -5.428 -23.467 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.401 -5.550 -22.476 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.683 -3.933 -22.281 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.732 -5.057 -20.902 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.954 -7.555 -22.509 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.229 -7.117 -20.944 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.188 -7.392 -22.361 1.00 0.00 H new ATOM 778 N LEU A 52 6.963 -2.491 -24.110 1.00 0.00 N ATOM 779 CA LEU A 52 7.017 -2.275 -25.536 1.00 0.00 C ATOM 780 C LEU A 52 7.847 -3.349 -26.208 1.00 0.00 C ATOM 781 O LEU A 52 8.851 -3.812 -25.666 1.00 0.00 O ATOM 782 CB LEU A 52 7.543 -0.875 -25.894 1.00 0.00 C ATOM 783 CG LEU A 52 6.545 0.294 -25.797 1.00 0.00 C ATOM 784 CD1 LEU A 52 6.086 0.522 -24.371 1.00 0.00 C ATOM 785 CD2 LEU A 52 7.154 1.562 -26.371 1.00 0.00 C ATOM 0 H LEU A 52 7.801 -2.193 -23.610 1.00 0.00 H new ATOM 0 HA LEU A 52 5.995 -2.337 -25.909 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.388 -0.654 -25.242 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.927 -0.908 -26.913 1.00 0.00 H new ATOM 0 HG LEU A 52 5.667 0.028 -26.386 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.383 1.355 -24.344 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.597 -0.378 -23.998 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.947 0.754 -23.744 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.435 2.378 -26.294 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.055 1.818 -25.813 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.410 1.401 -27.418 1.00 0.00 H new ATOM 797 N GLU A 53 7.418 -3.723 -27.385 1.00 0.00 N ATOM 798 CA GLU A 53 8.003 -4.797 -28.165 1.00 0.00 C ATOM 799 C GLU A 53 9.424 -4.430 -28.585 1.00 0.00 C ATOM 800 O GLU A 53 10.314 -5.280 -28.637 1.00 0.00 O ATOM 801 CB GLU A 53 7.122 -5.013 -29.384 1.00 0.00 C ATOM 802 CG GLU A 53 5.737 -5.506 -29.016 1.00 0.00 C ATOM 803 CD GLU A 53 4.779 -5.495 -30.172 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.918 -6.317 -31.089 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.867 -4.642 -30.168 1.00 0.00 O ATOM 0 H GLU A 53 6.626 -3.277 -27.848 1.00 0.00 H new ATOM 0 HA GLU A 53 8.060 -5.712 -27.576 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.037 -4.078 -29.937 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.597 -5.735 -30.049 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.812 -6.520 -28.624 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.338 -4.883 -28.215 1.00 0.00 H new ATOM 812 N ASN A 54 9.618 -3.155 -28.886 1.00 0.00 N ATOM 813 CA ASN A 54 10.926 -2.617 -29.264 1.00 0.00 C ATOM 814 C ASN A 54 11.937 -2.690 -28.103 1.00 0.00 C ATOM 815 O ASN A 54 13.145 -2.826 -28.323 1.00 0.00 O ATOM 816 CB ASN A 54 10.785 -1.181 -29.779 1.00 0.00 C ATOM 817 CG ASN A 54 12.119 -0.535 -30.110 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.730 0.115 -29.260 1.00 0.00 O ATOM 819 ND2 ASN A 54 12.578 -0.705 -31.332 1.00 0.00 N ATOM 0 H ASN A 54 8.873 -2.458 -28.876 1.00 0.00 H new ATOM 0 HA ASN A 54 11.318 -3.239 -30.068 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.157 -1.180 -30.670 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.273 -0.580 -29.027 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.470 -0.291 -31.604 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.042 -1.250 -32.007 1.00 0.00 H new ATOM 826 N GLN A 55 11.434 -2.600 -26.867 1.00 0.00 N ATOM 827 CA GLN A 55 12.285 -2.665 -25.670 1.00 0.00 C ATOM 828 C GLN A 55 12.942 -4.035 -25.544 1.00 0.00 C ATOM 829 O GLN A 55 14.030 -4.170 -24.986 1.00 0.00 O ATOM 830 CB GLN A 55 11.489 -2.360 -24.394 1.00 0.00 C ATOM 831 CG GLN A 55 10.967 -0.938 -24.305 1.00 0.00 C ATOM 832 CD GLN A 55 10.176 -0.687 -23.033 1.00 0.00 C ATOM 833 OE1 GLN A 55 8.983 -0.980 -22.957 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.825 -0.136 -22.031 1.00 0.00 N ATOM 0 H GLN A 55 10.441 -2.482 -26.667 1.00 0.00 H new ATOM 0 HA GLN A 55 13.058 -1.905 -25.786 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.646 -3.048 -24.333 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.123 -2.556 -23.529 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.806 -0.243 -24.351 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.335 -0.732 -25.169 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.814 0.094 -22.129 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.340 0.062 -21.156 1.00 0.00 H new ATOM 843 N LEU A 56 12.264 -5.040 -26.059 1.00 0.00 N ATOM 844 CA LEU A 56 12.712 -6.414 -25.963 1.00 0.00 C ATOM 845 C LEU A 56 13.948 -6.637 -26.832 1.00 0.00 C ATOM 846 O LEU A 56 14.053 -6.088 -27.934 1.00 0.00 O ATOM 847 CB LEU A 56 11.584 -7.333 -26.413 1.00 0.00 C ATOM 848 CG LEU A 56 10.285 -7.230 -25.612 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.211 -8.115 -26.217 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.522 -7.593 -24.155 1.00 0.00 C ATOM 0 H LEU A 56 11.382 -4.926 -26.559 1.00 0.00 H new ATOM 0 HA LEU A 56 12.979 -6.635 -24.930 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.362 -7.120 -27.459 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.938 -8.363 -26.365 1.00 0.00 H new ATOM 0 HG LEU A 56 9.940 -6.197 -25.654 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.295 -8.027 -25.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.018 -7.803 -27.243 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.548 -9.152 -26.211 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.585 -7.513 -23.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.895 -8.615 -24.091 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.256 -6.911 -23.725 1.00 0.00 H new