USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 651 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 84 LYS NZ :NH3+ -120:sc= 0.0562 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HE2:sc= -2.57 X(o=-2.5,f=-2.5!) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 GLN : amide:sc= 0 X(o=0.51,f=0.07) USER MOD Set 2.3: A 37 ASN : amide:sc= 0.513 K(o=0.51,f=-0.12) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.53! X(o=-1.5!,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.4! C(o=-3.4!,f=-4.7!) USER MOD Single : A 28 GLN : amide:sc= -3.98! C(o=-4!,f=-5.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0095 X(o=-0.0095,f=-0.021) USER MOD Single : A 49 THR OG1 : rot -79:sc= 1.12 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -98:sc= 0.895 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.026) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.0682 K(o=0.068,f=-0.53) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.33! C(o=-4.3!,f=-3.3!) USER MOD Single : A 79 HIS : +bothHN:sc= -0.359 K(o=-0.36,f=-7.7!) USER MOD Single : A 80 SER OG : rot 180:sc= -2.19 USER MOD Single : A 86 ASN : amide:sc= -5.45! C(o=-5.5!,f=-8.7!) USER MOD Single : A 93 SER OG : rot -160:sc= -0.958 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.421 -4.426 0.721 1.00 0.00 N ATOM 102 CA ALA A 11 -13.143 -3.787 1.011 1.00 0.00 C ATOM 103 C ALA A 11 -12.529 -4.343 2.291 1.00 0.00 C ATOM 104 O ALA A 11 -11.308 -4.372 2.443 1.00 0.00 O ATOM 105 CB ALA A 11 -13.320 -2.280 1.120 1.00 0.00 C ATOM 0 HA ALA A 11 -12.461 -4.004 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.358 -1.815 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.707 -1.890 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.022 -2.053 1.923 1.00 0.00 H new ATOM 111 N ARG A 12 -13.383 -4.783 3.209 1.00 0.00 N ATOM 112 CA ARG A 12 -12.924 -5.337 4.477 1.00 0.00 C ATOM 113 C ARG A 12 -12.134 -6.624 4.255 1.00 0.00 C ATOM 114 O ARG A 12 -11.544 -7.171 5.186 1.00 0.00 O ATOM 115 CB ARG A 12 -14.113 -5.609 5.400 1.00 0.00 C ATOM 116 CG ARG A 12 -15.011 -6.738 4.920 1.00 0.00 C ATOM 117 CD ARG A 12 -15.704 -7.431 6.082 1.00 0.00 C ATOM 118 NE ARG A 12 -16.943 -6.756 6.462 1.00 0.00 N ATOM 119 CZ ARG A 12 -18.082 -6.878 5.789 1.00 0.00 C ATOM 120 NH1 ARG A 12 -18.139 -7.645 4.708 1.00 0.00 N ATOM 121 NH2 ARG A 12 -19.167 -6.232 6.196 1.00 0.00 N ATOM 0 H ARG A 12 -14.397 -4.767 3.098 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.268 -4.605 4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.741 -5.850 6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.706 -4.699 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.759 -6.342 4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.419 -7.464 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.923 -8.464 5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.031 -7.463 6.939 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.933 -6.159 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.307 -8.143 4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -19.015 -7.737 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.127 -5.641 7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -20.041 -6.326 5.679 1.00 0.00 H new ATOM 135 N ARG A 13 -12.129 -7.101 3.014 1.00 0.00 N ATOM 136 CA ARG A 13 -11.413 -8.324 2.670 1.00 0.00 C ATOM 137 C ARG A 13 -10.036 -8.005 2.097 1.00 0.00 C ATOM 138 O ARG A 13 -9.136 -8.846 2.108 1.00 0.00 O ATOM 139 CB ARG A 13 -12.219 -9.144 1.661 1.00 0.00 C ATOM 140 CG ARG A 13 -13.581 -9.579 2.178 1.00 0.00 C ATOM 141 CD ARG A 13 -14.549 -9.852 1.038 1.00 0.00 C ATOM 142 NE ARG A 13 -15.567 -10.832 1.407 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.519 -11.249 0.580 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.583 -10.774 -0.656 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.409 -12.144 0.989 1.00 0.00 N ATOM 0 H ARG A 13 -12.612 -6.660 2.231 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.282 -8.907 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.355 -8.555 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.646 -10.029 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.471 -10.477 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.990 -8.804 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.033 -8.921 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.996 -10.213 0.171 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.546 -11.217 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.900 -10.086 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.315 -11.096 -1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.362 -12.512 1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.140 -12.464 0.353 1.00 0.00 H new ATOM 159 N LEU A 14 -9.877 -6.784 1.596 1.00 0.00 N ATOM 160 CA LEU A 14 -8.609 -6.353 1.018 1.00 0.00 C ATOM 161 C LEU A 14 -7.478 -6.474 2.035 1.00 0.00 C ATOM 162 O LEU A 14 -7.630 -6.098 3.198 1.00 0.00 O ATOM 163 CB LEU A 14 -8.715 -4.909 0.526 1.00 0.00 C ATOM 164 CG LEU A 14 -9.820 -4.626 -0.492 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.004 -3.128 -0.679 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.504 -5.297 -1.821 1.00 0.00 C ATOM 0 H LEU A 14 -10.611 -6.076 1.579 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.384 -7.003 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.870 -4.263 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.760 -4.626 0.084 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.754 -5.040 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.795 -2.947 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.276 -2.673 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.073 -2.689 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.301 -5.085 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.560 -4.913 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.425 -6.374 -1.675 1.00 0.00 H new ATOM 178 N THR A 15 -6.342 -7.001 1.589 1.00 0.00 N ATOM 179 CA THR A 15 -5.185 -7.170 2.458 1.00 0.00 C ATOM 180 C THR A 15 -3.884 -7.030 1.676 1.00 0.00 C ATOM 181 O THR A 15 -3.756 -7.548 0.567 1.00 0.00 O ATOM 182 CB THR A 15 -5.204 -8.542 3.158 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.507 -9.572 2.210 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.230 -8.563 4.281 1.00 0.00 C ATOM 0 H THR A 15 -6.199 -7.318 0.630 1.00 0.00 H new ATOM 0 HA THR A 15 -5.239 -6.384 3.212 1.00 0.00 H new ATOM 0 HB THR A 15 -4.217 -8.720 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.516 -10.441 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.225 -9.542 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.981 -7.798 5.016 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.221 -8.364 3.872 1.00 0.00 H new ATOM 192 N VAL A 16 -2.920 -6.327 2.261 1.00 0.00 N ATOM 193 CA VAL A 16 -1.627 -6.120 1.620 1.00 0.00 C ATOM 194 C VAL A 16 -0.512 -6.816 2.392 1.00 0.00 C ATOM 195 O VAL A 16 -0.383 -6.649 3.605 1.00 0.00 O ATOM 196 CB VAL A 16 -1.294 -4.621 1.499 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.056 -4.426 0.825 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.390 -3.891 0.737 1.00 0.00 C ATOM 0 H VAL A 16 -3.010 -5.891 3.179 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.697 -6.551 0.621 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.237 -4.198 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.274 -3.361 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.831 -4.913 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.031 -4.864 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.138 -2.833 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.482 -4.315 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.337 -4.001 1.266 1.00 0.00 H new ATOM 208 N THR A 17 0.293 -7.599 1.681 1.00 0.00 N ATOM 209 CA THR A 17 1.398 -8.322 2.298 1.00 0.00 C ATOM 210 C THR A 17 2.733 -7.917 1.684 1.00 0.00 C ATOM 211 O THR A 17 3.655 -7.511 2.392 1.00 0.00 O ATOM 212 CB THR A 17 1.221 -9.846 2.155 1.00 0.00 C ATOM 213 OG1 THR A 17 -0.035 -10.248 2.713 1.00 0.00 O ATOM 214 CG2 THR A 17 2.352 -10.589 2.850 1.00 0.00 C ATOM 0 H THR A 17 0.200 -7.749 0.676 1.00 0.00 H new ATOM 0 HA THR A 17 1.395 -8.060 3.356 1.00 0.00 H new ATOM 0 HB THR A 17 1.242 -10.094 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.140 -11.218 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.206 -11.663 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.304 -10.303 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.358 -10.334 3.910 1.00 0.00 H new ATOM 222 N SER A 18 2.829 -8.028 0.363 1.00 0.00 N ATOM 223 CA SER A 18 4.054 -7.676 -0.346 1.00 0.00 C ATOM 224 C SER A 18 4.678 -6.414 0.242 1.00 0.00 C ATOM 225 O SER A 18 5.894 -6.333 0.420 1.00 0.00 O ATOM 226 CB SER A 18 3.765 -7.470 -1.834 1.00 0.00 C ATOM 227 OG SER A 18 3.883 -8.688 -2.549 1.00 0.00 O ATOM 0 H SER A 18 2.074 -8.359 -0.238 1.00 0.00 H new ATOM 0 HA SER A 18 4.761 -8.498 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.760 -7.066 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.458 -6.735 -2.244 1.00 0.00 H new ATOM 0 HG SER A 18 3.692 -8.531 -3.497 1.00 0.00 H new ATOM 233 N LEU A 19 3.837 -5.430 0.542 1.00 0.00 N ATOM 234 CA LEU A 19 4.304 -4.171 1.110 1.00 0.00 C ATOM 235 C LEU A 19 5.306 -4.418 2.233 1.00 0.00 C ATOM 236 O LEU A 19 5.109 -5.299 3.069 1.00 0.00 O ATOM 237 CB LEU A 19 3.121 -3.356 1.637 1.00 0.00 C ATOM 238 CG LEU A 19 3.472 -2.064 2.375 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.691 -0.928 1.388 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.378 -1.704 3.370 1.00 0.00 C ATOM 0 H LEU A 19 2.828 -5.480 0.401 1.00 0.00 H new ATOM 0 HA LEU A 19 4.802 -3.608 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.474 -3.106 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.540 -3.988 2.309 1.00 0.00 H new ATOM 0 HG LEU A 19 4.399 -2.224 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.940 -0.017 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.509 -1.184 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.781 -0.768 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.645 -0.782 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.436 -1.564 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.269 -2.508 4.097 1.00 0.00 H new ATOM 252 N GLN A 20 6.379 -3.634 2.246 1.00 0.00 N ATOM 253 CA GLN A 20 7.411 -3.768 3.267 1.00 0.00 C ATOM 254 C GLN A 20 7.248 -2.703 4.348 1.00 0.00 C ATOM 255 O GLN A 20 7.750 -1.588 4.213 1.00 0.00 O ATOM 256 CB GLN A 20 8.800 -3.662 2.636 1.00 0.00 C ATOM 257 CG GLN A 20 9.872 -4.428 3.393 1.00 0.00 C ATOM 258 CD GLN A 20 11.255 -4.234 2.804 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.426 -4.216 1.584 1.00 0.00 O ATOM 260 NE2 GLN A 20 12.252 -4.086 3.668 1.00 0.00 N ATOM 0 H GLN A 20 6.556 -2.899 1.561 1.00 0.00 H new ATOM 0 HA GLN A 20 7.304 -4.749 3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.754 -4.034 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.086 -2.612 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.876 -4.106 4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.625 -5.490 3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.065 -4.107 4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.205 -3.951 3.329 1.00 0.00 H new ATOM 269 N GLU A 21 6.544 -3.057 5.418 1.00 0.00 N ATOM 270 CA GLU A 21 6.315 -2.131 6.521 1.00 0.00 C ATOM 271 C GLU A 21 7.526 -1.226 6.732 1.00 0.00 C ATOM 272 O GLU A 21 7.402 -0.002 6.776 1.00 0.00 O ATOM 273 CB GLU A 21 6.008 -2.900 7.807 1.00 0.00 C ATOM 274 CG GLU A 21 4.716 -3.697 7.747 1.00 0.00 C ATOM 275 CD GLU A 21 4.089 -3.897 9.113 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.101 -2.941 9.916 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.589 -5.009 9.380 1.00 0.00 O ATOM 0 H GLU A 21 6.123 -3.977 5.545 1.00 0.00 H new ATOM 0 HA GLU A 21 5.458 -1.508 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.834 -3.579 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.952 -2.195 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.007 -3.184 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.914 -4.670 7.297 1.00 0.00 H new ATOM 284 N THR A 22 8.698 -1.839 6.864 1.00 0.00 N ATOM 285 CA THR A 22 9.932 -1.091 7.073 1.00 0.00 C ATOM 286 C THR A 22 11.074 -1.673 6.248 1.00 0.00 C ATOM 287 O THR A 22 11.085 -2.863 5.937 1.00 0.00 O ATOM 288 CB THR A 22 10.339 -1.083 8.559 1.00 0.00 C ATOM 289 OG1 THR A 22 10.605 -2.419 9.001 1.00 0.00 O ATOM 290 CG2 THR A 22 9.245 -0.467 9.417 1.00 0.00 C ATOM 0 H THR A 22 8.819 -2.851 6.830 1.00 0.00 H new ATOM 0 HA THR A 22 9.740 -0.068 6.751 1.00 0.00 H new ATOM 0 HB THR A 22 11.241 -0.480 8.663 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.865 -2.405 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.556 -0.473 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.066 0.560 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.328 -1.046 9.308 1.00 0.00 H new ATOM 298 N GLY A 23 12.036 -0.825 5.896 1.00 0.00 N ATOM 299 CA GLY A 23 13.170 -1.274 5.110 1.00 0.00 C ATOM 300 C GLY A 23 13.373 -0.444 3.858 1.00 0.00 C ATOM 301 O GLY A 23 14.490 -0.020 3.560 1.00 0.00 O ATOM 0 H GLY A 23 12.050 0.165 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.072 -1.231 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.024 -2.317 4.831 1.00 0.00 H new ATOM 305 N LEU A 24 12.292 -0.213 3.122 1.00 0.00 N ATOM 306 CA LEU A 24 12.356 0.571 1.893 1.00 0.00 C ATOM 307 C LEU A 24 13.267 1.782 2.067 1.00 0.00 C ATOM 308 O LEU A 24 13.010 2.652 2.899 1.00 0.00 O ATOM 309 CB LEU A 24 10.955 1.027 1.482 1.00 0.00 C ATOM 310 CG LEU A 24 9.913 -0.079 1.308 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.560 0.515 0.946 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.362 -1.073 0.247 1.00 0.00 C ATOM 0 H LEU A 24 11.360 -0.557 3.354 1.00 0.00 H new ATOM 0 HA LEU A 24 12.770 -0.062 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.589 1.729 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.034 1.575 0.543 1.00 0.00 H new ATOM 0 HG LEU A 24 9.813 -0.610 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.831 -0.287 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.233 1.187 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.645 1.071 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.608 -1.853 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.491 -0.556 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.308 -1.523 0.547 1.00 0.00 H new ATOM 324 N LYS A 25 14.332 1.833 1.273 1.00 0.00 N ATOM 325 CA LYS A 25 15.280 2.939 1.336 1.00 0.00 C ATOM 326 C LYS A 25 14.770 4.139 0.545 1.00 0.00 C ATOM 327 O LYS A 25 13.671 4.108 -0.010 1.00 0.00 O ATOM 328 CB LYS A 25 16.643 2.500 0.794 1.00 0.00 C ATOM 329 CG LYS A 25 17.314 1.426 1.633 1.00 0.00 C ATOM 330 CD LYS A 25 16.902 0.033 1.188 1.00 0.00 C ATOM 331 CE LYS A 25 17.861 -1.026 1.712 1.00 0.00 C ATOM 332 NZ LYS A 25 17.725 -1.218 3.183 1.00 0.00 N ATOM 0 H LYS A 25 14.560 1.121 0.579 1.00 0.00 H new ATOM 0 HA LYS A 25 15.388 3.234 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.518 2.129 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 25 17.299 3.368 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.397 1.528 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.053 1.566 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.894 -0.180 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.872 -0.008 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.672 -1.971 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.885 -0.737 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.395 -1.947 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.930 -0.323 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.755 -1.519 3.406 1.00 0.00 H new ATOM 346 N VAL A 26 15.574 5.196 0.497 1.00 0.00 N ATOM 347 CA VAL A 26 15.205 6.405 -0.229 1.00 0.00 C ATOM 348 C VAL A 26 15.406 6.230 -1.730 1.00 0.00 C ATOM 349 O VAL A 26 16.333 5.548 -2.166 1.00 0.00 O ATOM 350 CB VAL A 26 16.024 7.619 0.249 1.00 0.00 C ATOM 351 CG1 VAL A 26 15.451 8.908 -0.319 1.00 0.00 C ATOM 352 CG2 VAL A 26 16.064 7.668 1.769 1.00 0.00 C ATOM 0 H VAL A 26 16.486 5.239 0.953 1.00 0.00 H new ATOM 0 HA VAL A 26 14.149 6.585 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 26 17.046 7.513 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.043 9.754 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.479 8.870 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.420 9.025 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.647 8.532 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.049 7.750 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.525 6.757 2.150 1.00 0.00 H new ATOM 362 N ASN A 27 14.532 6.850 -2.515 1.00 0.00 N ATOM 363 CA ASN A 27 14.614 6.762 -3.969 1.00 0.00 C ATOM 364 C ASN A 27 14.662 5.306 -4.424 1.00 0.00 C ATOM 365 O ASN A 27 15.482 4.935 -5.263 1.00 0.00 O ATOM 366 CB ASN A 27 15.850 7.508 -4.477 1.00 0.00 C ATOM 367 CG ASN A 27 16.122 8.777 -3.692 1.00 0.00 C ATOM 368 OD1 ASN A 27 15.198 9.500 -3.320 1.00 0.00 O ATOM 369 ND2 ASN A 27 17.396 9.052 -3.437 1.00 0.00 N ATOM 0 H ASN A 27 13.759 7.419 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 27 13.721 7.226 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.718 6.852 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.714 7.757 -5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.641 9.892 -2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.129 8.423 -3.765 1.00 0.00 H new ATOM 376 N GLN A 28 13.776 4.488 -3.865 1.00 0.00 N ATOM 377 CA GLN A 28 13.718 3.073 -4.214 1.00 0.00 C ATOM 378 C GLN A 28 12.334 2.697 -4.730 1.00 0.00 C ATOM 379 O GLN A 28 11.311 3.006 -4.119 1.00 0.00 O ATOM 380 CB GLN A 28 14.074 2.212 -3.000 1.00 0.00 C ATOM 381 CG GLN A 28 15.570 2.098 -2.754 1.00 0.00 C ATOM 382 CD GLN A 28 15.955 0.784 -2.103 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.150 0.162 -1.409 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.192 0.353 -2.324 1.00 0.00 N ATOM 0 H GLN A 28 13.089 4.780 -3.170 1.00 0.00 H new ATOM 0 HA GLN A 28 14.444 2.889 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.599 2.634 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.660 1.213 -3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.099 2.199 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.894 2.923 -2.119 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.826 0.900 -2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.507 -0.525 -1.912 1.00 0.00 H new ATOM 393 N PRO A 29 12.298 2.013 -5.884 1.00 0.00 N ATOM 394 CA PRO A 29 11.044 1.579 -6.509 1.00 0.00 C ATOM 395 C PRO A 29 10.355 0.472 -5.718 1.00 0.00 C ATOM 396 O PRO A 29 10.622 -0.711 -5.927 1.00 0.00 O ATOM 397 CB PRO A 29 11.491 1.060 -7.877 1.00 0.00 C ATOM 398 CG PRO A 29 12.913 0.658 -7.684 1.00 0.00 C ATOM 399 CD PRO A 29 13.478 1.611 -6.667 1.00 0.00 C ATOM 0 HA PRO A 29 10.314 2.387 -6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.881 0.216 -8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.398 1.830 -8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.983 -0.372 -7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.466 0.715 -8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.231 1.131 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.956 2.468 -7.141 1.00 0.00 H new ATOM 407 N ALA A 30 9.468 0.865 -4.810 1.00 0.00 N ATOM 408 CA ALA A 30 8.739 -0.095 -3.990 1.00 0.00 C ATOM 409 C ALA A 30 7.362 -0.385 -4.577 1.00 0.00 C ATOM 410 O ALA A 30 6.574 0.530 -4.817 1.00 0.00 O ATOM 411 CB ALA A 30 8.609 0.421 -2.564 1.00 0.00 C ATOM 0 H ALA A 30 9.237 1.841 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 30 9.303 -1.028 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.063 -0.306 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.602 0.571 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.069 1.368 -2.568 1.00 0.00 H new ATOM 417 N SER A 31 7.079 -1.663 -4.808 1.00 0.00 N ATOM 418 CA SER A 31 5.799 -2.073 -5.372 1.00 0.00 C ATOM 419 C SER A 31 5.273 -3.324 -4.674 1.00 0.00 C ATOM 420 O SER A 31 6.047 -4.151 -4.192 1.00 0.00 O ATOM 421 CB SER A 31 5.939 -2.334 -6.873 1.00 0.00 C ATOM 422 OG SER A 31 6.828 -3.408 -7.123 1.00 0.00 O ATOM 0 H SER A 31 7.720 -2.432 -4.613 1.00 0.00 H new ATOM 0 HA SER A 31 5.086 -1.264 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.961 -2.560 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.302 -1.434 -7.369 1.00 0.00 H new ATOM 0 HG SER A 31 6.899 -3.556 -8.089 1.00 0.00 H new ATOM 428 N PHE A 32 3.952 -3.455 -4.624 1.00 0.00 N ATOM 429 CA PHE A 32 3.321 -4.604 -3.985 1.00 0.00 C ATOM 430 C PHE A 32 1.992 -4.937 -4.656 1.00 0.00 C ATOM 431 O PHE A 32 1.555 -4.242 -5.572 1.00 0.00 O ATOM 432 CB PHE A 32 3.098 -4.327 -2.497 1.00 0.00 C ATOM 433 CG PHE A 32 2.812 -2.885 -2.191 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.829 -1.943 -2.215 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.527 -2.470 -1.881 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.568 -0.615 -1.933 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.261 -1.144 -1.598 1.00 0.00 C ATOM 438 CZ PHE A 32 2.283 -0.215 -1.626 1.00 0.00 C ATOM 0 H PHE A 32 3.297 -2.780 -5.018 1.00 0.00 H new ATOM 0 HA PHE A 32 3.987 -5.460 -4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.267 -4.937 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.982 -4.639 -1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.836 -2.250 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.724 -3.192 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.369 0.109 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.255 -0.834 -1.355 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.077 0.823 -1.408 1.00 0.00 H new ATOM 448 N ALA A 33 1.354 -6.007 -4.193 1.00 0.00 N ATOM 449 CA ALA A 33 0.075 -6.434 -4.746 1.00 0.00 C ATOM 450 C ALA A 33 -1.022 -6.394 -3.687 1.00 0.00 C ATOM 451 O ALA A 33 -0.782 -6.698 -2.519 1.00 0.00 O ATOM 452 CB ALA A 33 0.193 -7.832 -5.333 1.00 0.00 C ATOM 0 H ALA A 33 1.703 -6.594 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.198 -5.740 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.770 -8.137 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.941 -7.832 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.493 -8.530 -4.552 1.00 0.00 H new ATOM 458 N VAL A 34 -2.226 -6.015 -4.103 1.00 0.00 N ATOM 459 CA VAL A 34 -3.360 -5.935 -3.190 1.00 0.00 C ATOM 460 C VAL A 34 -4.407 -6.993 -3.521 1.00 0.00 C ATOM 461 O VAL A 34 -5.078 -6.916 -4.549 1.00 0.00 O ATOM 462 CB VAL A 34 -4.021 -4.545 -3.235 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.193 -4.478 -2.268 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.000 -3.461 -2.923 1.00 0.00 C ATOM 0 H VAL A 34 -2.441 -5.758 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.971 -6.112 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.403 -4.376 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.647 -3.488 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.933 -5.230 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.840 -4.668 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.483 -2.485 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.588 -3.625 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.197 -3.495 -3.659 1.00 0.00 H new ATOM 474 N GLN A 35 -4.541 -7.980 -2.640 1.00 0.00 N ATOM 475 CA GLN A 35 -5.507 -9.055 -2.839 1.00 0.00 C ATOM 476 C GLN A 35 -6.924 -8.574 -2.545 1.00 0.00 C ATOM 477 O GLN A 35 -7.154 -7.835 -1.587 1.00 0.00 O ATOM 478 CB GLN A 35 -5.164 -10.249 -1.946 1.00 0.00 C ATOM 479 CG GLN A 35 -5.834 -11.543 -2.378 1.00 0.00 C ATOM 480 CD GLN A 35 -5.091 -12.774 -1.897 1.00 0.00 C ATOM 481 OE1 GLN A 35 -4.303 -13.365 -2.636 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.337 -13.166 -0.653 1.00 0.00 N ATOM 0 H GLN A 35 -3.994 -8.057 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.458 -9.366 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.083 -10.392 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.458 -10.022 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.854 -11.566 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.903 -11.567 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.998 -12.646 -0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.865 -13.987 -0.274 1.00 0.00 H new ATOM 491 N LEU A 36 -7.871 -8.998 -3.374 1.00 0.00 N ATOM 492 CA LEU A 36 -9.267 -8.611 -3.203 1.00 0.00 C ATOM 493 C LEU A 36 -9.994 -9.587 -2.283 1.00 0.00 C ATOM 494 O LEU A 36 -10.877 -9.196 -1.521 1.00 0.00 O ATOM 495 CB LEU A 36 -9.970 -8.551 -4.560 1.00 0.00 C ATOM 496 CG LEU A 36 -9.236 -7.789 -5.664 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.927 -7.992 -7.003 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.153 -6.308 -5.324 1.00 0.00 C ATOM 0 H LEU A 36 -7.698 -9.610 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.291 -7.622 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.142 -9.571 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.949 -8.093 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.222 -8.182 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.390 -7.442 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.935 -9.053 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.952 -7.626 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.628 -5.781 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.159 -5.901 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.613 -6.180 -4.386 1.00 0.00 H new ATOM 510 N ASN A 37 -9.615 -10.858 -2.360 1.00 0.00 N ATOM 511 CA ASN A 37 -10.230 -11.890 -1.533 1.00 0.00 C ATOM 512 C ASN A 37 -11.719 -12.016 -1.838 1.00 0.00 C ATOM 513 O ASN A 37 -12.521 -12.323 -0.957 1.00 0.00 O ATOM 514 CB ASN A 37 -10.027 -11.573 -0.050 1.00 0.00 C ATOM 515 CG ASN A 37 -8.676 -12.035 0.461 1.00 0.00 C ATOM 516 OD1 ASN A 37 -8.370 -13.227 0.448 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.860 -11.091 0.915 1.00 0.00 N ATOM 0 H ASN A 37 -8.885 -11.198 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.748 -12.840 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.123 -10.498 0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.815 -12.051 0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.938 -11.342 1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.155 -10.115 0.907 1.00 0.00 H new ATOM 524 N GLY A 38 -12.083 -11.778 -3.095 1.00 0.00 N ATOM 525 CA GLY A 38 -13.475 -11.870 -3.495 1.00 0.00 C ATOM 526 C GLY A 38 -14.167 -10.522 -3.500 1.00 0.00 C ATOM 527 O GLY A 38 -15.368 -10.432 -3.246 1.00 0.00 O ATOM 0 H GLY A 38 -11.438 -11.523 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.535 -12.310 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.001 -12.542 -2.817 1.00 0.00 H new ATOM 531 N ALA A 39 -13.408 -9.470 -3.788 1.00 0.00 N ATOM 532 CA ALA A 39 -13.956 -8.119 -3.826 1.00 0.00 C ATOM 533 C ALA A 39 -14.043 -7.602 -5.257 1.00 0.00 C ATOM 534 O ALA A 39 -13.405 -8.140 -6.162 1.00 0.00 O ATOM 535 CB ALA A 39 -13.111 -7.183 -2.974 1.00 0.00 C ATOM 0 H ALA A 39 -12.412 -9.527 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.966 -8.151 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.531 -6.178 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.105 -7.536 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.091 -7.164 -3.357 1.00 0.00 H new ATOM 541 N ARG A 40 -14.837 -6.555 -5.456 1.00 0.00 N ATOM 542 CA ARG A 40 -15.009 -5.966 -6.779 1.00 0.00 C ATOM 543 C ARG A 40 -15.105 -4.446 -6.689 1.00 0.00 C ATOM 544 O ARG A 40 -16.014 -3.907 -6.059 1.00 0.00 O ATOM 545 CB ARG A 40 -16.262 -6.528 -7.452 1.00 0.00 C ATOM 546 CG ARG A 40 -16.090 -7.944 -7.975 1.00 0.00 C ATOM 547 CD ARG A 40 -15.044 -8.007 -9.078 1.00 0.00 C ATOM 548 NE ARG A 40 -15.295 -9.104 -10.009 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.512 -9.382 -11.045 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.434 -8.648 -11.281 1.00 0.00 N ATOM 551 NH2 ARG A 40 -14.807 -10.397 -11.847 1.00 0.00 N ATOM 0 H ARG A 40 -15.372 -6.097 -4.718 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.136 -6.223 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.086 -6.511 -6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.543 -5.876 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.798 -8.602 -7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.043 -8.311 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -15.035 -7.063 -9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.056 -8.127 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.117 -9.689 -9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.204 -7.867 -10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.834 -8.864 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.636 -10.964 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.205 -10.610 -12.643 1.00 0.00 H new ATOM 565 N GLY A 41 -14.159 -3.759 -7.323 1.00 0.00 N ATOM 566 CA GLY A 41 -14.155 -2.308 -7.302 1.00 0.00 C ATOM 567 C GLY A 41 -12.896 -1.723 -7.910 1.00 0.00 C ATOM 568 O GLY A 41 -12.286 -2.326 -8.793 1.00 0.00 O ATOM 0 H GLY A 41 -13.395 -4.182 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.024 -1.937 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.252 -1.962 -6.273 1.00 0.00 H new ATOM 572 N VAL A 42 -12.506 -0.543 -7.438 1.00 0.00 N ATOM 573 CA VAL A 42 -11.311 0.124 -7.941 1.00 0.00 C ATOM 574 C VAL A 42 -10.368 0.495 -6.803 1.00 0.00 C ATOM 575 O VAL A 42 -10.771 1.139 -5.833 1.00 0.00 O ATOM 576 CB VAL A 42 -11.670 1.397 -8.731 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.411 2.086 -9.234 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.602 1.062 -9.886 1.00 0.00 C ATOM 0 H VAL A 42 -13.000 -0.030 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.812 -0.580 -8.607 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.189 2.084 -8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.684 2.983 -9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.784 2.361 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.861 1.408 -9.887 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.845 1.973 -10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.112 0.356 -10.556 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.518 0.617 -9.497 1.00 0.00 H new ATOM 588 N ILE A 43 -9.110 0.085 -6.927 1.00 0.00 N ATOM 589 CA ILE A 43 -8.108 0.376 -5.909 1.00 0.00 C ATOM 590 C ILE A 43 -7.433 1.718 -6.169 1.00 0.00 C ATOM 591 O ILE A 43 -6.786 1.909 -7.199 1.00 0.00 O ATOM 592 CB ILE A 43 -7.032 -0.724 -5.847 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.660 -2.060 -5.443 1.00 0.00 C ATOM 594 CG2 ILE A 43 -5.931 -0.334 -4.872 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.003 -2.146 -3.972 1.00 0.00 C ATOM 0 H ILE A 43 -8.761 -0.450 -7.722 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.631 0.415 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.591 -0.836 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.565 -2.219 -6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.972 -2.867 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.178 -1.122 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.468 0.597 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.357 -0.198 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.444 -3.119 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.097 -2.019 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.715 -1.361 -3.718 1.00 0.00 H new ATOM 607 N ASP A 44 -7.586 2.644 -5.229 1.00 0.00 N ATOM 608 CA ASP A 44 -6.988 3.968 -5.355 1.00 0.00 C ATOM 609 C ASP A 44 -5.833 4.139 -4.374 1.00 0.00 C ATOM 610 O ASP A 44 -6.033 4.147 -3.160 1.00 0.00 O ATOM 611 CB ASP A 44 -8.041 5.051 -5.115 1.00 0.00 C ATOM 612 CG ASP A 44 -7.720 6.343 -5.842 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.532 6.726 -5.871 1.00 0.00 O ATOM 614 OD2 ASP A 44 -8.656 6.970 -6.381 1.00 0.00 O ATOM 0 H ASP A 44 -8.119 2.502 -4.371 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.598 4.068 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.015 4.686 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.117 5.249 -4.046 1.00 0.00 H new ATOM 619 N ALA A 45 -4.624 4.273 -4.909 1.00 0.00 N ATOM 620 CA ALA A 45 -3.436 4.444 -4.081 1.00 0.00 C ATOM 621 C ALA A 45 -2.867 5.852 -4.221 1.00 0.00 C ATOM 622 O ALA A 45 -2.786 6.392 -5.325 1.00 0.00 O ATOM 623 CB ALA A 45 -2.384 3.409 -4.448 1.00 0.00 C ATOM 0 H ALA A 45 -4.441 4.266 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.725 4.299 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.503 3.548 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.787 2.409 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.107 3.527 -5.496 1.00 0.00 H new ATOM 629 N ARG A 46 -2.476 6.442 -3.097 1.00 0.00 N ATOM 630 CA ARG A 46 -1.916 7.788 -3.095 1.00 0.00 C ATOM 631 C ARG A 46 -0.997 7.993 -1.894 1.00 0.00 C ATOM 632 O ARG A 46 -1.366 7.693 -0.758 1.00 0.00 O ATOM 633 CB ARG A 46 -3.037 8.829 -3.076 1.00 0.00 C ATOM 634 CG ARG A 46 -3.793 8.933 -4.390 1.00 0.00 C ATOM 635 CD ARG A 46 -4.515 10.266 -4.513 1.00 0.00 C ATOM 636 NE ARG A 46 -5.564 10.229 -5.528 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.030 11.310 -6.143 1.00 0.00 C ATOM 638 NH1 ARG A 46 -5.543 12.507 -5.847 1.00 0.00 N ATOM 639 NH2 ARG A 46 -6.986 11.195 -7.056 1.00 0.00 N ATOM 0 H ARG A 46 -2.537 6.009 -2.175 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.329 7.912 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.740 8.580 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.613 9.803 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.098 8.816 -5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.515 8.119 -4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.951 10.532 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.796 11.046 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.961 9.323 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.808 12.599 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.903 13.335 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.364 10.276 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.343 12.026 -7.528 1.00 0.00 H new ATOM 653 N VAL A 47 0.202 8.504 -2.154 1.00 0.00 N ATOM 654 CA VAL A 47 1.174 8.749 -1.095 1.00 0.00 C ATOM 655 C VAL A 47 1.166 10.213 -0.670 1.00 0.00 C ATOM 656 O VAL A 47 0.928 11.106 -1.483 1.00 0.00 O ATOM 657 CB VAL A 47 2.598 8.364 -1.540 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.795 6.858 -1.454 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.869 8.865 -2.950 1.00 0.00 C ATOM 0 H VAL A 47 0.524 8.756 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 47 0.884 8.126 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 47 3.311 8.839 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.806 6.605 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.645 6.530 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.075 6.359 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.879 8.584 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.151 8.420 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.772 9.950 -2.975 1.00 0.00 H new ATOM 669 N HIS A 48 1.428 10.453 0.611 1.00 0.00 N ATOM 670 CA HIS A 48 1.451 11.810 1.146 1.00 0.00 C ATOM 671 C HIS A 48 2.835 12.157 1.687 1.00 0.00 C ATOM 672 O HIS A 48 3.350 11.485 2.582 1.00 0.00 O ATOM 673 CB HIS A 48 0.406 11.964 2.251 1.00 0.00 C ATOM 674 CG HIS A 48 -1.001 12.022 1.740 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.547 13.149 1.163 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.975 11.082 1.720 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.796 12.901 0.812 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.080 11.653 1.139 1.00 0.00 N ATOM 0 H HIS A 48 1.627 9.726 1.298 1.00 0.00 H new ATOM 0 HA HIS A 48 1.214 12.498 0.334 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.498 11.129 2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.617 12.872 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.897 10.071 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.470 13.599 0.338 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.975 11.189 0.985 1.00 0.00 H new ATOM 687 N THR A 49 3.433 13.210 1.139 1.00 0.00 N ATOM 688 CA THR A 49 4.757 13.644 1.564 1.00 0.00 C ATOM 689 C THR A 49 4.688 14.412 2.880 1.00 0.00 C ATOM 690 O THR A 49 3.710 15.100 3.174 1.00 0.00 O ATOM 691 CB THR A 49 5.427 14.533 0.499 1.00 0.00 C ATOM 692 OG1 THR A 49 4.672 15.737 0.321 1.00 0.00 O ATOM 693 CG2 THR A 49 5.538 13.797 -0.828 1.00 0.00 C ATOM 0 H THR A 49 3.020 13.778 0.399 1.00 0.00 H new ATOM 0 HA THR A 49 5.355 12.743 1.702 1.00 0.00 H new ATOM 0 HB THR A 49 6.431 14.782 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.895 15.555 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.014 14.444 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.137 12.896 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.542 13.522 -1.176 1.00 0.00 H new ATOM 701 N PRO A 50 5.749 14.294 3.691 1.00 0.00 N ATOM 702 CA PRO A 50 5.832 14.972 4.989 1.00 0.00 C ATOM 703 C PRO A 50 5.986 16.482 4.845 1.00 0.00 C ATOM 704 O PRO A 50 5.978 17.213 5.835 1.00 0.00 O ATOM 705 CB PRO A 50 7.085 14.365 5.626 1.00 0.00 C ATOM 706 CG PRO A 50 7.917 13.918 4.474 1.00 0.00 C ATOM 707 CD PRO A 50 6.950 13.491 3.405 1.00 0.00 C ATOM 0 HA PRO A 50 4.927 14.834 5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.614 15.098 6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.832 13.530 6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.559 14.725 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.570 13.094 4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.340 13.692 2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.741 12.423 3.456 1.00 0.00 H new ATOM 715 N SER A 51 6.125 16.943 3.606 1.00 0.00 N ATOM 716 CA SER A 51 6.284 18.367 3.334 1.00 0.00 C ATOM 717 C SER A 51 4.926 19.054 3.227 1.00 0.00 C ATOM 718 O SER A 51 4.565 19.875 4.069 1.00 0.00 O ATOM 719 CB SER A 51 7.076 18.575 2.042 1.00 0.00 C ATOM 720 OG SER A 51 7.684 19.855 2.017 1.00 0.00 O ATOM 0 H SER A 51 6.131 16.352 2.775 1.00 0.00 H new ATOM 0 HA SER A 51 6.833 18.812 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.841 17.804 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.413 18.467 1.184 1.00 0.00 H new ATOM 0 HG SER A 51 8.186 19.963 1.182 1.00 0.00 H new ATOM 726 N GLY A 52 4.176 18.712 2.183 1.00 0.00 N ATOM 727 CA GLY A 52 2.867 19.304 1.984 1.00 0.00 C ATOM 728 C GLY A 52 2.393 19.195 0.548 1.00 0.00 C ATOM 729 O GLY A 52 1.696 20.077 0.048 1.00 0.00 O ATOM 0 H GLY A 52 4.453 18.035 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.147 18.814 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.899 20.354 2.274 1.00 0.00 H new ATOM 733 N ALA A 53 2.774 18.109 -0.117 1.00 0.00 N ATOM 734 CA ALA A 53 2.383 17.887 -1.504 1.00 0.00 C ATOM 735 C ALA A 53 1.746 16.513 -1.682 1.00 0.00 C ATOM 736 O ALA A 53 2.327 15.495 -1.307 1.00 0.00 O ATOM 737 CB ALA A 53 3.588 18.035 -2.422 1.00 0.00 C ATOM 0 H ALA A 53 3.353 17.370 0.282 1.00 0.00 H new ATOM 0 HA ALA A 53 1.641 18.640 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.282 17.867 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.998 19.040 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.348 17.304 -2.145 1.00 0.00 H new ATOM 743 N VAL A 54 0.547 16.492 -2.256 1.00 0.00 N ATOM 744 CA VAL A 54 -0.170 15.243 -2.484 1.00 0.00 C ATOM 745 C VAL A 54 0.371 14.515 -3.709 1.00 0.00 C ATOM 746 O VAL A 54 0.097 14.903 -4.844 1.00 0.00 O ATOM 747 CB VAL A 54 -1.679 15.487 -2.670 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.375 14.212 -3.120 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.295 16.016 -1.383 1.00 0.00 C ATOM 0 H VAL A 54 0.052 17.326 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.017 14.624 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.815 16.239 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.440 14.404 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.951 13.881 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.233 13.435 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.362 16.183 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.150 15.289 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.815 16.956 -1.110 1.00 0.00 H new ATOM 759 N GLU A 55 1.140 13.457 -3.471 1.00 0.00 N ATOM 760 CA GLU A 55 1.720 12.675 -4.557 1.00 0.00 C ATOM 761 C GLU A 55 0.729 11.631 -5.064 1.00 0.00 C ATOM 762 O GLU A 55 -0.329 11.424 -4.470 1.00 0.00 O ATOM 763 CB GLU A 55 3.006 11.989 -4.091 1.00 0.00 C ATOM 764 CG GLU A 55 4.238 12.873 -4.192 1.00 0.00 C ATOM 765 CD GLU A 55 5.511 12.145 -3.809 1.00 0.00 C ATOM 766 OE1 GLU A 55 5.475 11.357 -2.840 1.00 0.00 O ATOM 767 OE2 GLU A 55 6.544 12.363 -4.476 1.00 0.00 O ATOM 0 H GLU A 55 1.376 13.122 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 55 1.956 13.355 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.883 11.669 -3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.164 11.090 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.330 13.246 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.112 13.741 -3.545 1.00 0.00 H new ATOM 774 N GLU A 56 1.080 10.976 -6.167 1.00 0.00 N ATOM 775 CA GLU A 56 0.222 9.955 -6.754 1.00 0.00 C ATOM 776 C GLU A 56 0.975 8.638 -6.916 1.00 0.00 C ATOM 777 O GLU A 56 2.202 8.596 -6.818 1.00 0.00 O ATOM 778 CB GLU A 56 -0.308 10.422 -8.112 1.00 0.00 C ATOM 779 CG GLU A 56 0.783 10.876 -9.067 1.00 0.00 C ATOM 780 CD GLU A 56 0.244 11.240 -10.437 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.245 12.378 -10.599 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.311 10.388 -11.347 1.00 0.00 O ATOM 0 H GLU A 56 1.952 11.135 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.619 9.792 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.868 9.609 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.008 11.243 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.297 11.738 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.523 10.083 -9.171 1.00 0.00 H new ATOM 789 N CYS A 57 0.232 7.565 -7.164 1.00 0.00 N ATOM 790 CA CYS A 57 0.829 6.245 -7.338 1.00 0.00 C ATOM 791 C CYS A 57 0.566 5.711 -8.742 1.00 0.00 C ATOM 792 O CYS A 57 -0.045 6.386 -9.570 1.00 0.00 O ATOM 793 CB CYS A 57 0.275 5.271 -6.296 1.00 0.00 C ATOM 794 SG CYS A 57 0.562 5.779 -4.585 1.00 0.00 S ATOM 0 H CYS A 57 -0.784 7.583 -7.249 1.00 0.00 H new ATOM 0 HA CYS A 57 1.906 6.339 -7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.797 5.157 -6.455 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.727 4.292 -6.454 1.00 0.00 H new ATOM 0 HG CYS A 57 1.602 5.156 -4.116 1.00 0.00 H new ATOM 800 N TYR A 58 1.033 4.495 -9.003 1.00 0.00 N ATOM 801 CA TYR A 58 0.853 3.871 -10.309 1.00 0.00 C ATOM 802 C TYR A 58 0.124 2.538 -10.179 1.00 0.00 C ATOM 803 O TYR A 58 0.689 1.550 -9.709 1.00 0.00 O ATOM 804 CB TYR A 58 2.207 3.661 -10.988 1.00 0.00 C ATOM 805 CG TYR A 58 2.106 3.413 -12.476 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.951 2.126 -12.977 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.166 4.465 -13.382 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.858 1.894 -14.335 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.073 4.243 -14.742 1.00 0.00 C ATOM 810 CZ TYR A 58 1.919 2.956 -15.214 1.00 0.00 C ATOM 811 OH TYR A 58 1.828 2.730 -16.568 1.00 0.00 O ATOM 0 H TYR A 58 1.539 3.922 -8.328 1.00 0.00 H new ATOM 0 HA TYR A 58 0.247 4.538 -10.922 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.830 4.538 -10.816 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.711 2.815 -10.521 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.902 1.292 -12.292 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.287 5.474 -13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.738 0.887 -14.707 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.121 5.072 -15.432 1.00 0.00 H new ATOM 0 HH TYR A 58 1.887 3.583 -17.047 1.00 0.00 H new ATOM 821 N VAL A 59 -1.137 2.517 -10.599 1.00 0.00 N ATOM 822 CA VAL A 59 -1.945 1.305 -10.533 1.00 0.00 C ATOM 823 C VAL A 59 -2.608 1.012 -11.874 1.00 0.00 C ATOM 824 O VAL A 59 -3.646 1.584 -12.204 1.00 0.00 O ATOM 825 CB VAL A 59 -3.034 1.415 -9.448 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.666 2.798 -9.465 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.088 0.335 -9.640 1.00 0.00 C ATOM 0 H VAL A 59 -1.621 3.326 -10.989 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.270 0.488 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.569 1.267 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.433 2.857 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.900 3.550 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.119 2.979 -10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.849 0.428 -8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.552 0.449 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.619 -0.647 -9.573 1.00 0.00 H new ATOM 917 N LYS A 66 -6.438 -8.747 -9.324 1.00 0.00 N ATOM 918 CA LYS A 66 -5.523 -8.131 -8.371 1.00 0.00 C ATOM 919 C LYS A 66 -5.064 -6.762 -8.863 1.00 0.00 C ATOM 920 O LYS A 66 -5.363 -6.364 -9.989 1.00 0.00 O ATOM 921 CB LYS A 66 -4.310 -9.035 -8.139 1.00 0.00 C ATOM 922 CG LYS A 66 -4.558 -10.138 -7.125 1.00 0.00 C ATOM 923 CD LYS A 66 -3.292 -10.929 -6.840 1.00 0.00 C ATOM 924 CE LYS A 66 -3.501 -11.930 -5.715 1.00 0.00 C ATOM 925 NZ LYS A 66 -2.564 -13.082 -5.816 1.00 0.00 N ATOM 0 HA LYS A 66 -6.055 -7.999 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.016 -9.484 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.472 -8.425 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.933 -9.704 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.331 -10.809 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.979 -11.454 -7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.486 -10.245 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.362 -11.432 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.528 -12.294 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.739 -13.741 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.714 -13.573 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.584 -12.738 -5.767 1.00 0.00 H new ATOM 939 N HIS A 67 -4.335 -6.046 -8.013 1.00 0.00 N ATOM 940 CA HIS A 67 -3.832 -4.723 -8.363 1.00 0.00 C ATOM 941 C HIS A 67 -2.377 -4.563 -7.934 1.00 0.00 C ATOM 942 O HIS A 67 -1.936 -5.168 -6.956 1.00 0.00 O ATOM 943 CB HIS A 67 -4.690 -3.639 -7.708 1.00 0.00 C ATOM 944 CG HIS A 67 -6.005 -3.422 -8.392 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.166 -2.560 -9.457 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.224 -3.961 -8.159 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.428 -2.578 -9.847 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.091 -3.420 -9.076 1.00 0.00 N ATOM 0 H HIS A 67 -4.080 -6.360 -7.077 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.887 -4.616 -9.446 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.871 -3.910 -6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.134 -2.702 -7.701 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.469 -4.683 -7.394 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.846 -2.002 -10.659 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.086 -3.634 -9.150 1.00 0.00 H new ATOM 957 N THR A 68 -1.633 -3.746 -8.674 1.00 0.00 N ATOM 958 CA THR A 68 -0.227 -3.509 -8.372 1.00 0.00 C ATOM 959 C THR A 68 0.063 -2.018 -8.242 1.00 0.00 C ATOM 960 O THR A 68 -0.302 -1.227 -9.112 1.00 0.00 O ATOM 961 CB THR A 68 0.689 -4.106 -9.457 1.00 0.00 C ATOM 962 OG1 THR A 68 0.385 -5.492 -9.646 1.00 0.00 O ATOM 963 CG2 THR A 68 2.153 -3.949 -9.076 1.00 0.00 C ATOM 0 H THR A 68 -1.981 -3.238 -9.487 1.00 0.00 H new ATOM 0 HA THR A 68 -0.020 -4.001 -7.422 1.00 0.00 H new ATOM 0 HB THR A 68 0.513 -3.566 -10.387 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.970 -5.864 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.780 -4.378 -9.857 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.388 -2.891 -8.962 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.341 -4.466 -8.135 1.00 0.00 H new ATOM 971 N ILE A 69 0.722 -1.641 -7.151 1.00 0.00 N ATOM 972 CA ILE A 69 1.063 -0.245 -6.909 1.00 0.00 C ATOM 973 C ILE A 69 2.566 -0.017 -7.031 1.00 0.00 C ATOM 974 O ILE A 69 3.366 -0.875 -6.659 1.00 0.00 O ATOM 975 CB ILE A 69 0.596 0.215 -5.516 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.676 -0.531 -5.107 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.361 1.718 -5.505 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.871 -0.207 -5.975 1.00 0.00 C ATOM 0 H ILE A 69 1.030 -2.283 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 69 0.547 0.342 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 69 1.378 -0.016 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.488 -1.604 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.913 -0.288 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.031 2.027 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.288 2.233 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.405 1.972 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.737 -0.771 -5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.085 0.860 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.654 -0.476 -7.009 1.00 0.00 H new ATOM 990 N ARG A 70 2.942 1.147 -7.552 1.00 0.00 N ATOM 991 CA ARG A 70 4.349 1.489 -7.722 1.00 0.00 C ATOM 992 C ARG A 70 4.592 2.962 -7.409 1.00 0.00 C ATOM 993 O ARG A 70 3.996 3.845 -8.027 1.00 0.00 O ATOM 994 CB ARG A 70 4.802 1.178 -9.149 1.00 0.00 C ATOM 995 CG ARG A 70 6.307 1.012 -9.288 1.00 0.00 C ATOM 996 CD ARG A 70 6.695 0.607 -10.701 1.00 0.00 C ATOM 997 NE ARG A 70 6.646 1.736 -11.627 1.00 0.00 N ATOM 998 CZ ARG A 70 7.646 2.595 -11.792 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.766 2.455 -11.096 1.00 0.00 N ATOM 1000 NH2 ARG A 70 7.526 3.597 -12.654 1.00 0.00 N ATOM 0 H ARG A 70 2.292 1.869 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 70 4.931 0.887 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.312 0.265 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.471 1.980 -9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.803 1.947 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.658 0.258 -8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.701 0.187 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.024 -0.178 -11.050 1.00 0.00 H new ATOM 0 HE ARG A 70 5.798 1.872 -12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.861 1.686 -10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.532 3.116 -11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.666 3.708 -13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.294 4.256 -12.780 1.00 0.00 H new ATOM 1014 N PHE A 71 5.470 3.220 -6.446 1.00 0.00 N ATOM 1015 CA PHE A 71 5.791 4.587 -6.050 1.00 0.00 C ATOM 1016 C PHE A 71 7.131 4.641 -5.322 1.00 0.00 C ATOM 1017 O PHE A 71 7.515 3.695 -4.634 1.00 0.00 O ATOM 1018 CB PHE A 71 4.688 5.153 -5.154 1.00 0.00 C ATOM 1019 CG PHE A 71 4.375 4.287 -3.968 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.304 4.113 -2.956 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.151 3.645 -3.866 1.00 0.00 C ATOM 1022 CE1 PHE A 71 5.019 3.316 -1.863 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.860 2.848 -2.775 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.796 2.682 -1.773 1.00 0.00 C ATOM 0 H PHE A 71 5.972 2.501 -5.925 1.00 0.00 H new ATOM 0 HA PHE A 71 5.863 5.193 -6.953 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.987 6.141 -4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.782 5.285 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.263 4.606 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.416 3.769 -4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.752 3.189 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.901 2.355 -2.706 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.572 2.058 -0.921 1.00 0.00 H new ATOM 1034 N ILE A 72 7.838 5.756 -5.479 1.00 0.00 N ATOM 1035 CA ILE A 72 9.134 5.934 -4.837 1.00 0.00 C ATOM 1036 C ILE A 72 9.112 7.117 -3.875 1.00 0.00 C ATOM 1037 O ILE A 72 8.733 8.233 -4.232 1.00 0.00 O ATOM 1038 CB ILE A 72 10.251 6.151 -5.875 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.507 4.862 -6.658 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.525 6.623 -5.190 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.200 5.088 -7.984 1.00 0.00 C ATOM 0 H ILE A 72 7.535 6.549 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 72 9.340 5.020 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 72 9.931 6.922 -6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.114 4.191 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.556 4.359 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.305 6.772 -5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.333 7.563 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.850 5.872 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.349 4.131 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.584 5.733 -8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.166 5.563 -7.813 1.00 0.00 H new ATOM 1053 N PRO A 73 9.531 6.871 -2.625 1.00 0.00 N ATOM 1054 CA PRO A 73 9.572 7.904 -1.586 1.00 0.00 C ATOM 1055 C PRO A 73 10.653 8.947 -1.847 1.00 0.00 C ATOM 1056 O PRO A 73 11.817 8.751 -1.497 1.00 0.00 O ATOM 1057 CB PRO A 73 9.887 7.115 -0.313 1.00 0.00 C ATOM 1058 CG PRO A 73 10.596 5.894 -0.790 1.00 0.00 C ATOM 1059 CD PRO A 73 9.998 5.565 -2.130 1.00 0.00 C ATOM 0 HA PRO A 73 8.640 8.467 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.511 7.694 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.977 6.858 0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.668 6.073 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.465 5.068 -0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.734 5.121 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.178 4.853 -2.040 1.00 0.00 H new ATOM 1067 N HIS A 74 10.261 10.057 -2.465 1.00 0.00 N ATOM 1068 CA HIS A 74 11.198 11.133 -2.772 1.00 0.00 C ATOM 1069 C HIS A 74 11.971 11.552 -1.525 1.00 0.00 C ATOM 1070 O HIS A 74 13.177 11.789 -1.583 1.00 0.00 O ATOM 1071 CB HIS A 74 10.454 12.335 -3.353 1.00 0.00 C ATOM 1072 CG HIS A 74 10.135 12.195 -4.810 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.819 10.989 -5.399 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.083 13.119 -5.798 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.589 11.177 -6.686 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.742 12.461 -6.954 1.00 0.00 N ATOM 0 H HIS A 74 9.302 10.235 -2.763 1.00 0.00 H new ATOM 0 HA HIS A 74 11.908 10.763 -3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.527 12.480 -2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.057 13.231 -3.206 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.770 10.092 -4.916 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.274 14.177 -5.696 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.321 10.411 -7.398 1.00 0.00 H new ATOM 1085 N GLU A 75 11.268 11.643 -0.401 1.00 0.00 N ATOM 1086 CA GLU A 75 11.889 12.036 0.858 1.00 0.00 C ATOM 1087 C GLU A 75 11.663 10.974 1.931 1.00 0.00 C ATOM 1088 O GLU A 75 10.793 10.115 1.795 1.00 0.00 O ATOM 1089 CB GLU A 75 11.333 13.381 1.330 1.00 0.00 C ATOM 1090 CG GLU A 75 9.853 13.340 1.673 1.00 0.00 C ATOM 1091 CD GLU A 75 8.973 13.209 0.445 1.00 0.00 C ATOM 1092 OE1 GLU A 75 8.734 14.235 -0.226 1.00 0.00 O ATOM 1093 OE2 GLU A 75 8.522 12.081 0.156 1.00 0.00 O ATOM 0 H GLU A 75 10.269 11.450 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 75 12.961 12.135 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.892 13.708 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.497 14.126 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.662 12.502 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.584 14.248 2.213 1.00 0.00 H new ATOM 1100 N ASN A 76 12.453 11.042 2.998 1.00 0.00 N ATOM 1101 CA ASN A 76 12.339 10.087 4.094 1.00 0.00 C ATOM 1102 C ASN A 76 11.124 10.397 4.963 1.00 0.00 C ATOM 1103 O ASN A 76 10.540 11.475 4.869 1.00 0.00 O ATOM 1104 CB ASN A 76 13.609 10.106 4.948 1.00 0.00 C ATOM 1105 CG ASN A 76 14.687 9.189 4.403 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.321 7.942 4.132 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.834 9.599 4.227 1.00 0.00 N flip ATOM 0 H ASN A 76 13.178 11.748 3.127 1.00 0.00 H new ATOM 0 HA ASN A 76 12.212 9.093 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.994 11.124 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.363 9.807 5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.070 10.566 4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.549 8.972 3.859 1.00 0.00 H new ATOM 1114 N GLY A 77 10.749 9.443 5.810 1.00 0.00 N ATOM 1115 CA GLY A 77 9.606 9.633 6.683 1.00 0.00 C ATOM 1116 C GLY A 77 8.484 8.657 6.391 1.00 0.00 C ATOM 1117 O GLY A 77 8.375 8.139 5.279 1.00 0.00 O ATOM 0 H GLY A 77 11.217 8.542 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.922 9.519 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.235 10.652 6.573 1.00 0.00 H new ATOM 1121 N VAL A 78 7.647 8.403 7.391 1.00 0.00 N ATOM 1122 CA VAL A 78 6.527 7.481 7.237 1.00 0.00 C ATOM 1123 C VAL A 78 5.400 8.117 6.432 1.00 0.00 C ATOM 1124 O VAL A 78 4.598 8.885 6.965 1.00 0.00 O ATOM 1125 CB VAL A 78 5.978 7.031 8.603 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.939 5.935 8.426 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.110 6.564 9.505 1.00 0.00 C ATOM 0 H VAL A 78 7.723 8.823 8.318 1.00 0.00 H new ATOM 0 HA VAL A 78 6.905 6.610 6.702 1.00 0.00 H new ATOM 0 HB VAL A 78 5.494 7.884 9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.562 5.630 9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.114 6.310 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.395 5.079 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.703 6.250 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.625 5.725 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.814 7.382 9.659 1.00 0.00 H new ATOM 1137 N HIS A 79 5.343 7.792 5.144 1.00 0.00 N ATOM 1138 CA HIS A 79 4.311 8.331 4.265 1.00 0.00 C ATOM 1139 C HIS A 79 2.956 7.699 4.566 1.00 0.00 C ATOM 1140 O HIS A 79 2.879 6.632 5.175 1.00 0.00 O ATOM 1141 CB HIS A 79 4.684 8.092 2.801 1.00 0.00 C ATOM 1142 CG HIS A 79 5.934 8.801 2.378 1.00 0.00 C ATOM 1143 ND1 HIS A 79 6.966 9.088 3.246 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.316 9.278 1.171 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.928 9.714 2.591 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.558 9.841 1.329 1.00 0.00 N ATOM 0 H HIS A 79 5.999 7.159 4.686 1.00 0.00 H new ATOM 0 HA HIS A 79 4.239 9.404 4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.810 7.022 2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.859 8.417 2.167 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.984 8.854 4.239 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.749 9.226 0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.858 10.062 3.015 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.106 10.285 0.592 1.00 0.00 H new ATOM 1155 N SER A 80 1.889 8.366 4.137 1.00 0.00 N ATOM 1156 CA SER A 80 0.536 7.872 4.365 1.00 0.00 C ATOM 1157 C SER A 80 -0.080 7.355 3.068 1.00 0.00 C ATOM 1158 O SER A 80 -0.412 8.134 2.173 1.00 0.00 O ATOM 1159 CB SER A 80 -0.341 8.978 4.954 1.00 0.00 C ATOM 1160 OG SER A 80 -1.597 8.467 5.367 1.00 0.00 O ATOM 0 H SER A 80 1.935 9.250 3.630 1.00 0.00 H new ATOM 0 HA SER A 80 0.592 7.046 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.166 9.435 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.490 9.762 4.212 1.00 0.00 H new ATOM 0 HG SER A 80 -2.138 9.193 5.741 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.228 6.038 2.974 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.805 5.418 1.788 1.00 0.00 C ATOM 1168 C ILE A 81 -2.322 5.317 1.902 1.00 0.00 C ATOM 1169 O ILE A 81 -2.845 4.485 2.644 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.225 4.011 1.550 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.275 3.996 1.854 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.485 3.565 0.119 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.109 4.708 0.812 1.00 0.00 C ATOM 0 H ILE A 81 0.044 5.380 3.705 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.549 6.056 0.943 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.721 3.312 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.446 4.462 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.611 2.962 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.069 2.569 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.559 3.542 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.013 4.264 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.161 4.658 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.968 4.229 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.800 5.751 0.749 1.00 0.00 H new ATOM 1185 N ASP A 82 -3.024 6.168 1.162 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.482 6.174 1.178 1.00 0.00 C ATOM 1187 C ASP A 82 -5.040 5.152 0.192 1.00 0.00 C ATOM 1188 O ASP A 82 -4.992 5.354 -1.021 1.00 0.00 O ATOM 1189 CB ASP A 82 -5.012 7.568 0.841 1.00 0.00 C ATOM 1190 CG ASP A 82 -5.176 8.438 2.071 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -4.163 8.701 2.752 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.319 8.855 2.355 1.00 0.00 O ATOM 0 H ASP A 82 -2.607 6.863 0.543 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.811 5.902 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.329 8.054 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.973 7.476 0.334 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.568 4.053 0.722 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.135 2.999 -0.111 1.00 0.00 C ATOM 1199 C VAL A 83 -7.656 2.977 -0.010 1.00 0.00 C ATOM 1200 O VAL A 83 -8.215 2.698 1.051 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.585 1.615 0.283 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.116 0.543 -0.656 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.064 1.628 0.285 1.00 0.00 C ATOM 0 H VAL A 83 -5.615 3.870 1.724 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.845 3.218 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.925 1.381 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.717 -0.428 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.204 0.519 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.808 0.768 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.692 0.643 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.701 1.883 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.707 2.368 1.002 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.321 3.274 -1.121 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.779 3.287 -1.160 1.00 0.00 C ATOM 1215 C LYS A 84 -10.305 2.285 -2.184 1.00 0.00 C ATOM 1216 O LYS A 84 -9.703 2.088 -3.239 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.288 4.690 -1.496 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.357 5.616 -0.293 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.291 6.788 -0.545 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.610 7.879 -1.356 1.00 0.00 C ATOM 1221 NZ LYS A 84 -9.795 8.783 -0.498 1.00 0.00 N ATOM 0 H LYS A 84 -7.874 3.509 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.147 3.000 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.636 5.133 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.280 4.611 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.699 5.057 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.359 5.988 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.178 6.440 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.628 7.198 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.971 7.424 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.364 8.462 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.151 9.756 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.862 8.475 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.802 8.750 -0.804 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.432 1.657 -1.865 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.039 0.677 -2.758 1.00 0.00 C ATOM 1237 C PHE A 85 -13.537 0.930 -2.906 1.00 0.00 C ATOM 1238 O PHE A 85 -14.313 0.683 -1.984 1.00 0.00 O ATOM 1239 CB PHE A 85 -11.800 -0.740 -2.232 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.008 -1.807 -3.269 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.268 -1.808 -4.440 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -12.946 -2.808 -3.072 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.457 -2.789 -5.395 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.139 -3.792 -4.024 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.395 -3.781 -5.187 1.00 0.00 C ATOM 0 H PHE A 85 -11.943 1.809 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.573 0.778 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.782 -0.810 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.470 -0.925 -1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.535 -1.033 -4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.532 -2.820 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.872 -2.780 -6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -13.871 -4.568 -3.858 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.546 -4.547 -5.933 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.934 1.426 -4.073 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.338 1.714 -4.343 1.00 0.00 C ATOM 1257 C ASN A 86 -15.907 2.671 -3.300 1.00 0.00 C ATOM 1258 O ASN A 86 -16.977 2.433 -2.741 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.152 0.419 -4.360 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.004 -0.339 -5.666 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -15.384 0.147 -6.611 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.576 -1.536 -5.722 1.00 0.00 N ATOM 0 H ASN A 86 -13.304 1.637 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.404 2.190 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.834 -0.218 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.204 0.652 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.511 -2.093 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.080 -1.899 -4.913 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.182 3.756 -3.042 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.630 4.733 -2.067 1.00 0.00 C ATOM 1271 C GLY A 87 -15.700 4.163 -0.664 1.00 0.00 C ATOM 1272 O GLY A 87 -16.568 4.538 0.123 1.00 0.00 O ATOM 0 H GLY A 87 -14.293 3.975 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.953 5.587 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.614 5.104 -2.355 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.784 3.253 -0.351 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.744 2.630 0.966 1.00 0.00 C ATOM 1278 C ALA A 88 -13.308 2.436 1.439 1.00 0.00 C ATOM 1279 O ALA A 88 -12.540 1.686 0.835 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.478 1.297 0.942 1.00 0.00 C ATOM 0 H ALA A 88 -14.059 2.931 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.244 3.295 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.440 0.843 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.517 1.459 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.003 0.633 0.220 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.950 3.117 2.523 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.604 3.019 3.077 1.00 0.00 C ATOM 1288 C HIS A 89 -11.370 1.644 3.697 1.00 0.00 C ATOM 1289 O HIS A 89 -12.148 1.191 4.537 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.381 4.109 4.126 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.823 5.379 3.562 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.553 5.834 3.845 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.370 6.291 2.724 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.343 6.972 3.208 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.430 7.271 2.520 1.00 0.00 N ATOM 0 H HIS A 89 -13.573 3.742 3.035 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.892 3.157 2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.328 4.326 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.702 3.732 4.891 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -8.880 5.365 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.361 6.255 2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.437 7.558 3.244 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.295 0.987 3.276 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.959 -0.335 3.790 1.00 0.00 C ATOM 1306 C ILE A 90 -9.525 -0.264 5.250 1.00 0.00 C ATOM 1307 O ILE A 90 -8.989 0.743 5.716 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.837 -0.992 2.964 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.516 -0.251 3.178 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.208 -1.011 1.489 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.295 -1.105 2.915 1.00 0.00 C ATOM 0 H ILE A 90 -9.642 1.348 2.581 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.861 -0.942 3.711 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.712 -2.021 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.488 0.621 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.478 0.118 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.406 -1.478 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.128 -1.579 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.356 0.010 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.395 -0.515 3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.300 -1.963 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.310 -1.453 1.882 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.758 -1.357 5.991 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.396 -1.444 7.409 1.00 0.00 C ATOM 1325 C PRO A 91 -7.887 -1.503 7.620 1.00 0.00 C ATOM 1326 O PRO A 91 -7.259 -2.536 7.390 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.051 -2.751 7.863 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.163 -3.569 6.623 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.392 -2.593 5.502 1.00 0.00 C ATOM 0 HA PRO A 91 -9.727 -0.569 7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.447 -3.256 8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.030 -2.570 8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.256 -4.150 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.987 -4.279 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.939 -2.936 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.454 -2.449 5.305 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.311 -0.388 8.060 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.880 -0.336 8.294 1.00 0.00 C ATOM 1339 C GLY A 92 -5.227 0.860 7.630 1.00 0.00 C ATOM 1340 O GLY A 92 -4.114 1.247 7.987 1.00 0.00 O ATOM 0 H GLY A 92 -7.810 0.479 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.692 -0.300 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.420 -1.251 7.920 1.00 0.00 H new ATOM 1344 N SER A 93 -5.920 1.447 6.659 1.00 0.00 N ATOM 1345 CA SER A 93 -5.398 2.603 5.939 1.00 0.00 C ATOM 1346 C SER A 93 -5.717 3.896 6.683 1.00 0.00 C ATOM 1347 O SER A 93 -6.690 3.987 7.432 1.00 0.00 O ATOM 1348 CB SER A 93 -5.983 2.656 4.526 1.00 0.00 C ATOM 1349 OG SER A 93 -6.120 3.995 4.081 1.00 0.00 O ATOM 0 H SER A 93 -6.844 1.141 6.353 1.00 0.00 H new ATOM 0 HA SER A 93 -4.315 2.501 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.338 2.106 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.955 2.164 4.513 1.00 0.00 H new ATOM 0 HG SER A 93 -6.765 4.030 3.344 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.877 4.920 6.473 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.715 4.822 5.584 1.00 0.00 C ATOM 1357 C PRO A 94 -2.626 3.918 6.152 1.00 0.00 C ATOM 1358 O PRO A 94 -2.448 3.831 7.367 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.217 6.267 5.492 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.687 6.911 6.750 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.997 6.253 7.088 1.00 0.00 C ATOM 0 HA PRO A 94 -3.974 4.384 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.131 6.307 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.623 6.770 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.963 6.774 7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.813 7.985 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.147 6.187 8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.842 6.808 6.682 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.899 3.248 5.264 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.827 2.349 5.677 1.00 0.00 C ATOM 1371 C PHE A 95 0.458 3.126 5.952 1.00 0.00 C ATOM 1372 O PHE A 95 0.966 3.836 5.084 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.576 1.292 4.600 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.599 0.192 4.590 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.823 -0.575 5.722 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.337 -0.075 3.448 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.764 -1.587 5.717 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.280 -1.086 3.437 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.493 -1.844 4.572 1.00 0.00 C ATOM 0 H PHE A 95 -2.032 3.310 4.255 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.136 1.854 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.565 1.776 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.412 0.857 4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.255 -0.379 6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.174 0.513 2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.929 -2.176 6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.850 -1.283 2.541 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.228 -2.636 4.564 1.00 0.00 H new ATOM 1389 N LYS A 96 0.978 2.986 7.166 1.00 0.00 N ATOM 1390 CA LYS A 96 2.203 3.672 7.558 1.00 0.00 C ATOM 1391 C LYS A 96 3.432 2.866 7.151 1.00 0.00 C ATOM 1392 O LYS A 96 3.743 1.840 7.757 1.00 0.00 O ATOM 1393 CB LYS A 96 2.216 3.913 9.070 1.00 0.00 C ATOM 1394 CG LYS A 96 1.084 4.802 9.554 1.00 0.00 C ATOM 1395 CD LYS A 96 1.311 6.254 9.166 1.00 0.00 C ATOM 1396 CE LYS A 96 2.183 6.973 10.184 1.00 0.00 C ATOM 1397 NZ LYS A 96 1.387 7.477 11.337 1.00 0.00 N ATOM 0 H LYS A 96 0.570 2.403 7.896 1.00 0.00 H new ATOM 0 HA LYS A 96 2.233 4.632 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.158 2.953 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.167 4.366 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.141 4.455 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.996 4.723 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.783 6.300 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.351 6.764 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.955 6.294 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.692 7.807 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.017 7.961 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.666 8.145 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.921 6.678 11.813 1.00 0.00 H new ATOM 1411 N ILE A 97 4.128 3.337 6.121 1.00 0.00 N ATOM 1412 CA ILE A 97 5.325 2.661 5.636 1.00 0.00 C ATOM 1413 C ILE A 97 6.580 3.463 5.961 1.00 0.00 C ATOM 1414 O ILE A 97 6.692 4.635 5.600 1.00 0.00 O ATOM 1415 CB ILE A 97 5.260 2.425 4.115 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.987 3.742 3.384 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.189 1.397 3.784 1.00 0.00 C ATOM 1418 CD1 ILE A 97 4.779 3.574 1.895 1.00 0.00 C ATOM 0 H ILE A 97 3.884 4.183 5.607 1.00 0.00 H new ATOM 0 HA ILE A 97 5.371 1.698 6.144 1.00 0.00 H new ATOM 0 HB ILE A 97 6.223 2.038 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.103 4.211 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.823 4.421 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.155 1.241 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.423 0.455 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.220 1.757 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.591 4.547 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.671 3.133 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.925 2.920 1.718 1.00 0.00 H new ATOM 1430 N ARG A 98 7.523 2.824 6.645 1.00 0.00 N ATOM 1431 CA ARG A 98 8.772 3.478 7.019 1.00 0.00 C ATOM 1432 C ARG A 98 9.765 3.457 5.861 1.00 0.00 C ATOM 1433 O ARG A 98 9.984 2.419 5.236 1.00 0.00 O ATOM 1434 CB ARG A 98 9.384 2.793 8.242 1.00 0.00 C ATOM 1435 CG ARG A 98 10.259 3.712 9.080 1.00 0.00 C ATOM 1436 CD ARG A 98 10.322 3.253 10.528 1.00 0.00 C ATOM 1437 NE ARG A 98 9.193 3.749 11.309 1.00 0.00 N ATOM 1438 CZ ARG A 98 9.173 3.779 12.637 1.00 0.00 C ATOM 1439 NH1 ARG A 98 10.217 3.343 13.328 1.00 0.00 N ATOM 1440 NH2 ARG A 98 8.108 4.245 13.276 1.00 0.00 N ATOM 0 H ARG A 98 7.446 1.854 6.952 1.00 0.00 H new ATOM 0 HA ARG A 98 8.550 4.516 7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.582 2.399 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.978 1.941 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.265 3.739 8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.868 4.728 9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.336 2.164 10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.253 3.598 10.977 1.00 0.00 H new ATOM 0 HE ARG A 98 8.374 4.092 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.038 2.984 12.840 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.200 3.367 14.348 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.303 4.581 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.094 4.267 14.296 1.00 0.00 H new ATOM 1454 N VAL A 99 10.363 4.610 5.580 1.00 0.00 N ATOM 1455 CA VAL A 99 11.333 4.724 4.497 1.00 0.00 C ATOM 1456 C VAL A 99 12.680 5.215 5.016 1.00 0.00 C ATOM 1457 O VAL A 99 12.787 6.317 5.551 1.00 0.00 O ATOM 1458 CB VAL A 99 10.838 5.683 3.398 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.890 5.837 2.310 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.523 5.190 2.815 1.00 0.00 C ATOM 0 H VAL A 99 10.193 5.479 6.087 1.00 0.00 H new ATOM 0 HA VAL A 99 11.452 3.727 4.072 1.00 0.00 H new ATOM 0 HB VAL A 99 10.666 6.663 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.523 6.518 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.806 6.239 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.097 4.864 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.187 5.879 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.665 4.199 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.772 5.137 3.604 1.00 0.00 H new