USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 34 SER OG : rot -63:sc= 0.229 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.717 USER MOD Set 2.1: A 19 ASN : amide:sc= 0.0356 K(o=-2.6,f=-6.3!) USER MOD Set 2.2: A 22 GLN : amide:sc= -2.67 K(o=-2.6,f=-4.9!) USER MOD Single : A 15 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.013) USER MOD Single : A 25 SER OG : rot 125:sc= 0.939 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.0392 (180deg=-0.338) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 46 HIS : no HD1:sc= -0.015 K(o=-0.015,f=-0.64) USER MOD Single : A 48 HIS : no HE2:sc= 0.817 K(o=0.82,f=-2.7!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.484 USER MOD Single : A 107 SER OG : rot 180:sc=-0.00699 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 111 CYS SG : rot 1:sc= 0.555 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD ----------------------------------------------------------------- ATOM 181 N VAL A 14 -6.183 20.242 -33.232 1.00 0.00 N ATOM 182 CA VAL A 14 -5.043 21.149 -33.175 1.00 0.00 C ATOM 183 C VAL A 14 -5.470 22.586 -33.454 1.00 0.00 C ATOM 184 O VAL A 14 -4.742 23.530 -33.147 1.00 0.00 O ATOM 185 CB VAL A 14 -3.952 20.745 -34.184 1.00 0.00 C ATOM 186 CG1 VAL A 14 -3.352 19.398 -33.811 1.00 0.00 C ATOM 187 CG2 VAL A 14 -4.518 20.712 -35.595 1.00 0.00 C ATOM 0 HA VAL A 14 -4.636 21.082 -32.166 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.158 21.491 -34.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.583 19.129 -34.535 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.909 19.460 -32.817 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.134 18.638 -33.813 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.733 20.425 -36.295 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.331 19.988 -35.644 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.896 21.700 -35.859 1.00 0.00 H new ATOM 197 N GLN A 15 -6.654 22.742 -34.037 1.00 0.00 N ATOM 198 CA GLN A 15 -7.177 24.066 -34.357 1.00 0.00 C ATOM 199 C GLN A 15 -8.146 24.543 -33.281 1.00 0.00 C ATOM 200 O GLN A 15 -8.032 25.663 -32.781 1.00 0.00 O ATOM 201 CB GLN A 15 -7.877 24.044 -35.717 1.00 0.00 C ATOM 202 CG GLN A 15 -8.120 25.428 -36.298 1.00 0.00 C ATOM 203 CD GLN A 15 -6.837 26.113 -36.728 1.00 0.00 C ATOM 204 OE1 GLN A 15 -5.813 25.464 -36.940 1.00 0.00 O ATOM 205 NE2 GLN A 15 -6.886 27.434 -36.857 1.00 0.00 N ATOM 0 H GLN A 15 -7.268 21.970 -34.297 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.338 24.761 -34.398 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.274 23.466 -36.417 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.832 23.528 -35.617 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.789 25.346 -37.155 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.626 26.046 -35.556 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.756 27.933 -36.671 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.053 27.950 -37.142 1.00 0.00 H new ATOM 214 N GLY A 16 -9.101 23.687 -32.927 1.00 0.00 N ATOM 215 CA GLY A 16 -10.075 24.041 -31.914 1.00 0.00 C ATOM 216 C GLY A 16 -9.451 24.208 -30.542 1.00 0.00 C ATOM 217 O GLY A 16 -9.877 25.054 -29.758 1.00 0.00 O ATOM 0 H GLY A 16 -9.216 22.755 -33.325 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.571 24.969 -32.200 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.844 23.270 -31.869 1.00 0.00 H new ATOM 221 N ILE A 17 -8.439 23.395 -30.252 1.00 0.00 N ATOM 222 CA ILE A 17 -7.757 23.456 -28.966 1.00 0.00 C ATOM 223 C ILE A 17 -6.699 24.553 -28.957 1.00 0.00 C ATOM 224 O ILE A 17 -6.295 25.031 -27.897 1.00 0.00 O ATOM 225 CB ILE A 17 -7.089 22.112 -28.619 1.00 0.00 C ATOM 226 CG1 ILE A 17 -8.121 20.983 -28.644 1.00 0.00 C ATOM 227 CG2 ILE A 17 -6.416 22.191 -27.257 1.00 0.00 C ATOM 228 CD1 ILE A 17 -7.531 19.618 -28.367 1.00 0.00 C ATOM 0 H ILE A 17 -8.075 22.688 -30.890 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.516 23.680 -28.216 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.326 21.898 -29.368 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.894 21.192 -27.905 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.608 20.968 -29.619 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.949 21.234 -27.026 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.656 22.972 -27.272 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.161 22.424 -26.496 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.320 18.867 -28.401 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.778 19.387 -29.121 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.069 19.615 -27.380 1.00 0.00 H new ATOM 240 N ILE A 18 -6.254 24.950 -30.146 1.00 0.00 N ATOM 241 CA ILE A 18 -5.247 25.994 -30.274 1.00 0.00 C ATOM 242 C ILE A 18 -5.772 27.331 -29.768 1.00 0.00 C ATOM 243 O ILE A 18 -5.028 28.125 -29.193 1.00 0.00 O ATOM 244 CB ILE A 18 -4.787 26.156 -31.735 1.00 0.00 C ATOM 245 CG1 ILE A 18 -3.340 25.686 -31.893 1.00 0.00 C ATOM 246 CG2 ILE A 18 -4.931 27.604 -32.178 1.00 0.00 C ATOM 247 CD1 ILE A 18 -2.349 26.504 -31.097 1.00 0.00 C ATOM 0 H ILE A 18 -6.576 24.563 -31.033 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.397 25.687 -29.665 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.421 25.537 -32.370 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.269 24.643 -31.584 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.067 25.725 -32.948 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.602 27.702 -33.212 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.975 27.907 -32.099 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.319 28.242 -31.540 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.344 26.114 -31.257 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.391 27.544 -31.422 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.597 26.445 -30.037 1.00 0.00 H new ATOM 259 N ASN A 19 -7.061 27.576 -29.984 1.00 0.00 N ATOM 260 CA ASN A 19 -7.688 28.818 -29.548 1.00 0.00 C ATOM 261 C ASN A 19 -8.348 28.644 -28.182 1.00 0.00 C ATOM 262 O ASN A 19 -8.547 29.613 -27.450 1.00 0.00 O ATOM 263 CB ASN A 19 -8.725 29.279 -30.573 1.00 0.00 C ATOM 264 CG ASN A 19 -8.206 30.395 -31.458 1.00 0.00 C ATOM 265 OD1 ASN A 19 -7.390 31.212 -31.031 1.00 0.00 O ATOM 266 ND2 ASN A 19 -8.680 30.436 -32.699 1.00 0.00 N ATOM 0 H ASN A 19 -7.692 26.930 -30.459 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.911 29.577 -29.463 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.019 28.433 -31.194 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.621 29.618 -30.052 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.368 31.166 -33.340 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.355 29.738 -33.010 1.00 0.00 H new ATOM 273 N PHE A 20 -8.687 27.403 -27.849 1.00 0.00 N ATOM 274 CA PHE A 20 -9.326 27.102 -26.573 1.00 0.00 C ATOM 275 C PHE A 20 -8.288 26.973 -25.464 1.00 0.00 C ATOM 276 O PHE A 20 -8.548 27.322 -24.312 1.00 0.00 O ATOM 277 CB PHE A 20 -10.139 25.811 -26.679 1.00 0.00 C ATOM 278 CG PHE A 20 -11.612 26.043 -26.856 1.00 0.00 C ATOM 279 CD1 PHE A 20 -12.301 26.888 -25.999 1.00 0.00 C ATOM 280 CD2 PHE A 20 -12.308 25.416 -27.876 1.00 0.00 C ATOM 281 CE1 PHE A 20 -13.656 27.102 -26.159 1.00 0.00 C ATOM 282 CE2 PHE A 20 -13.665 25.628 -28.041 1.00 0.00 C ATOM 283 CZ PHE A 20 -14.339 26.473 -27.182 1.00 0.00 C ATOM 0 H PHE A 20 -8.530 26.590 -28.445 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.996 27.926 -26.326 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.768 25.225 -27.520 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.979 25.215 -25.780 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.773 27.384 -25.198 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.785 24.754 -28.550 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.182 27.761 -25.484 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -14.196 25.133 -28.841 1.00 0.00 H new ATOM 0 HZ PHE A 20 -15.398 26.642 -27.310 1.00 0.00 H new ATOM 293 N GLU A 21 -7.109 26.469 -25.817 1.00 0.00 N ATOM 294 CA GLU A 21 -6.032 26.292 -24.849 1.00 0.00 C ATOM 295 C GLU A 21 -5.254 27.591 -24.659 1.00 0.00 C ATOM 296 O GLU A 21 -4.482 27.730 -23.710 1.00 0.00 O ATOM 297 CB GLU A 21 -5.086 25.180 -25.304 1.00 0.00 C ATOM 298 CG GLU A 21 -4.121 24.723 -24.225 1.00 0.00 C ATOM 299 CD GLU A 21 -2.697 24.596 -24.729 1.00 0.00 C ATOM 300 OE1 GLU A 21 -2.470 23.813 -25.675 1.00 0.00 O ATOM 301 OE2 GLU A 21 -1.808 25.281 -24.179 1.00 0.00 O1- ATOM 0 H GLU A 21 -6.876 26.176 -26.766 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.477 26.012 -23.894 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.676 24.326 -25.637 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.516 25.529 -26.165 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.147 25.431 -23.397 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.450 23.761 -23.833 1.00 0.00 H new ATOM 308 N GLN A 22 -5.465 28.539 -25.566 1.00 0.00 N ATOM 309 CA GLN A 22 -4.783 29.826 -25.498 1.00 0.00 C ATOM 310 C GLN A 22 -5.696 30.895 -24.906 1.00 0.00 C ATOM 311 O GLN A 22 -5.237 31.804 -24.214 1.00 0.00 O ATOM 312 CB GLN A 22 -4.316 30.253 -26.890 1.00 0.00 C ATOM 313 CG GLN A 22 -5.433 30.789 -27.771 1.00 0.00 C ATOM 314 CD GLN A 22 -5.584 32.294 -27.670 1.00 0.00 C ATOM 315 OE1 GLN A 22 -5.097 32.916 -26.726 1.00 0.00 O ATOM 316 NE2 GLN A 22 -6.259 32.888 -28.647 1.00 0.00 N ATOM 0 H GLN A 22 -6.102 28.440 -26.356 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.915 29.715 -24.849 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.547 31.019 -26.787 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.852 29.400 -27.385 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.236 30.516 -28.808 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.373 30.314 -27.490 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.646 32.333 -29.410 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.391 33.899 -28.634 1.00 0.00 H new ATOM 325 N LYS A 23 -6.991 30.781 -25.181 1.00 0.00 N ATOM 326 CA LYS A 23 -7.968 31.735 -24.675 1.00 0.00 C ATOM 327 C LYS A 23 -8.401 31.372 -23.258 1.00 0.00 C ATOM 328 O LYS A 23 -8.608 32.248 -22.419 1.00 0.00 O ATOM 329 CB LYS A 23 -9.190 31.782 -25.596 1.00 0.00 C ATOM 330 CG LYS A 23 -8.908 32.423 -26.945 1.00 0.00 C ATOM 331 CD LYS A 23 -10.144 32.424 -27.828 1.00 0.00 C ATOM 332 CE LYS A 23 -9.840 32.983 -29.210 1.00 0.00 C ATOM 333 NZ LYS A 23 -10.787 32.468 -30.238 1.00 0.00 N1+ ATOM 0 H LYS A 23 -7.388 30.035 -25.753 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.499 32.719 -24.652 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.555 30.767 -25.754 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.988 32.334 -25.100 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.563 33.447 -26.798 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.103 31.884 -27.444 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.527 31.408 -27.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.928 33.018 -27.358 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.892 34.071 -29.181 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.820 32.720 -29.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.486 32.790 -31.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.794 31.428 -30.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.743 32.825 -30.039 1.00 0.00 H new ATOM 347 N GLU A 24 -8.533 30.075 -22.999 1.00 0.00 N ATOM 348 CA GLU A 24 -8.942 29.597 -21.683 1.00 0.00 C ATOM 349 C GLU A 24 -7.736 29.456 -20.758 1.00 0.00 C ATOM 350 O GLU A 24 -7.840 28.897 -19.667 1.00 0.00 O ATOM 351 CB GLU A 24 -9.666 28.254 -21.804 1.00 0.00 C ATOM 352 CG GLU A 24 -10.826 28.099 -20.837 1.00 0.00 C ATOM 353 CD GLU A 24 -11.876 27.125 -21.338 1.00 0.00 C ATOM 354 OE1 GLU A 24 -12.012 26.981 -22.570 1.00 0.00 O ATOM 355 OE2 GLU A 24 -12.560 26.508 -20.495 1.00 0.00 O1- ATOM 0 H GLU A 24 -8.363 29.337 -23.682 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.625 30.331 -21.254 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.036 28.141 -22.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.951 27.449 -21.633 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.448 27.757 -19.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.288 29.072 -20.670 1.00 0.00 H new ATOM 362 N SER A 25 -6.592 29.968 -21.203 1.00 0.00 N ATOM 363 CA SER A 25 -5.365 29.895 -20.419 1.00 0.00 C ATOM 364 C SER A 25 -4.858 31.292 -20.076 1.00 0.00 C ATOM 365 O SER A 25 -3.723 31.460 -19.632 1.00 0.00 O ATOM 366 CB SER A 25 -4.291 29.123 -21.185 1.00 0.00 C ATOM 367 OG SER A 25 -4.450 27.724 -21.018 1.00 0.00 O ATOM 0 H SER A 25 -6.490 30.438 -22.103 1.00 0.00 H new ATOM 0 HA SER A 25 -5.586 29.369 -19.490 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.344 29.374 -22.244 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.303 29.424 -20.835 1.00 0.00 H new ATOM 0 HG SER A 25 -4.512 27.295 -21.897 1.00 0.00 H new ATOM 424 N LYS A 30 -8.076 33.774 -16.465 1.00 0.00 N ATOM 425 CA LYS A 30 -7.107 34.410 -15.580 1.00 0.00 C ATOM 426 C LYS A 30 -7.420 35.892 -15.408 1.00 0.00 C ATOM 427 O LYS A 30 -7.181 36.467 -14.346 1.00 0.00 O ATOM 428 CB LYS A 30 -5.690 34.236 -16.134 1.00 0.00 C ATOM 429 CG LYS A 30 -5.036 32.926 -15.733 1.00 0.00 C ATOM 430 CD LYS A 30 -4.465 32.196 -16.937 1.00 0.00 C ATOM 431 CE LYS A 30 -4.084 30.765 -16.592 1.00 0.00 C ATOM 432 NZ LYS A 30 -5.279 29.934 -16.278 1.00 0.00 N1+ ATOM 0 HA LYS A 30 -7.170 33.928 -14.604 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.724 34.297 -17.222 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.070 35.063 -15.788 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.241 33.121 -15.014 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.768 32.290 -15.235 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.198 32.194 -17.744 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.588 32.729 -17.304 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.543 30.322 -17.428 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.407 30.765 -15.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.034 28.927 -16.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.594 30.132 -15.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.045 30.162 -16.943 1.00 0.00 H new ATOM 446 N VAL A 31 -7.953 36.507 -16.459 1.00 0.00 N ATOM 447 CA VAL A 31 -8.300 37.922 -16.422 1.00 0.00 C ATOM 448 C VAL A 31 -9.346 38.204 -15.349 1.00 0.00 C ATOM 449 O VAL A 31 -9.559 39.353 -14.963 1.00 0.00 O ATOM 450 CB VAL A 31 -8.836 38.404 -17.784 1.00 0.00 C ATOM 451 CG1 VAL A 31 -9.197 39.880 -17.723 1.00 0.00 C ATOM 452 CG2 VAL A 31 -7.815 38.142 -18.880 1.00 0.00 C ATOM 0 H VAL A 31 -8.154 36.047 -17.347 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.385 38.466 -16.186 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.740 37.843 -18.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.574 40.203 -18.694 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.965 40.036 -16.966 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.311 40.461 -17.466 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.210 38.488 -19.835 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.892 38.676 -18.653 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.610 37.073 -18.938 1.00 0.00 H new ATOM 462 N TRP A 32 -9.996 37.147 -14.872 1.00 0.00 N ATOM 463 CA TRP A 32 -11.019 37.282 -13.843 1.00 0.00 C ATOM 464 C TRP A 32 -10.418 37.788 -12.536 1.00 0.00 C ATOM 465 O TRP A 32 -10.823 38.826 -12.017 1.00 0.00 O ATOM 466 CB TRP A 32 -11.715 35.939 -13.608 1.00 0.00 C ATOM 467 CG TRP A 32 -13.200 35.999 -13.801 1.00 0.00 C ATOM 468 CD1 TRP A 32 -13.870 36.100 -14.988 1.00 0.00 C ATOM 469 CD2 TRP A 32 -14.200 35.961 -12.777 1.00 0.00 C ATOM 470 NE1 TRP A 32 -15.225 36.130 -14.763 1.00 0.00 N ATOM 471 CE2 TRP A 32 -15.454 36.045 -13.415 1.00 0.00 C ATOM 472 CE3 TRP A 32 -14.159 35.863 -11.384 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -16.651 36.034 -12.705 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -15.349 35.853 -10.681 1.00 0.00 C ATOM 475 CH2 TRP A 32 -16.581 35.938 -11.341 1.00 0.00 C ATOM 0 H TRP A 32 -9.832 36.189 -15.182 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.751 38.011 -14.191 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -11.297 35.197 -14.288 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -11.501 35.599 -12.595 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -13.403 36.149 -15.960 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -15.944 36.204 -15.483 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -13.214 35.796 -10.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -17.602 36.099 -13.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -15.328 35.778 -9.604 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -17.493 35.928 -10.763 1.00 0.00 H new ATOM 486 N GLY A 33 -9.444 37.049 -12.012 1.00 0.00 N ATOM 487 CA GLY A 33 -8.801 37.442 -10.772 1.00 0.00 C ATOM 488 C GLY A 33 -7.433 36.812 -10.604 1.00 0.00 C ATOM 489 O GLY A 33 -6.877 36.799 -9.506 1.00 0.00 O ATOM 0 H GLY A 33 -9.089 36.186 -12.424 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.704 38.527 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.434 37.158 -9.932 1.00 0.00 H new ATOM 493 N SER A 34 -6.886 36.286 -11.696 1.00 0.00 N ATOM 494 CA SER A 34 -5.576 35.646 -11.664 1.00 0.00 C ATOM 495 C SER A 34 -4.462 36.685 -11.762 1.00 0.00 C ATOM 496 O SER A 34 -3.665 36.843 -10.838 1.00 0.00 O ATOM 497 CB SER A 34 -5.449 34.637 -12.806 1.00 0.00 C ATOM 498 OG SER A 34 -4.255 33.884 -12.692 1.00 0.00 O ATOM 0 H SER A 34 -7.330 36.291 -12.614 1.00 0.00 H new ATOM 0 HA SER A 34 -5.478 35.121 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.308 33.966 -12.799 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.462 35.161 -13.762 1.00 0.00 H new ATOM 0 HG SER A 34 -3.483 34.483 -12.764 1.00 0.00 H new ATOM 504 N ILE A 35 -4.416 37.388 -12.888 1.00 0.00 N ATOM 505 CA ILE A 35 -3.401 38.413 -13.107 1.00 0.00 C ATOM 506 C ILE A 35 -3.446 39.474 -12.012 1.00 0.00 C ATOM 507 O ILE A 35 -2.516 40.263 -11.860 1.00 0.00 O ATOM 508 CB ILE A 35 -3.576 39.095 -14.475 1.00 0.00 C ATOM 509 CG1 ILE A 35 -5.038 39.498 -14.687 1.00 0.00 C ATOM 510 CG2 ILE A 35 -3.109 38.172 -15.591 1.00 0.00 C ATOM 511 CD1 ILE A 35 -5.257 40.357 -15.911 1.00 0.00 C ATOM 0 H ILE A 35 -5.069 37.268 -13.663 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.434 37.910 -13.083 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.964 39.997 -14.495 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.646 38.597 -14.772 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.389 40.037 -13.807 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.239 38.669 -16.552 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.056 37.931 -15.447 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.697 37.254 -15.574 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.315 40.604 -15.998 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.676 41.275 -15.820 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.938 39.812 -16.800 1.00 0.00 H new ATOM 523 N LYS A 36 -4.535 39.486 -11.252 1.00 0.00 N ATOM 524 CA LYS A 36 -4.703 40.447 -10.169 1.00 0.00 C ATOM 525 C LYS A 36 -4.893 39.735 -8.834 1.00 0.00 C ATOM 526 O LYS A 36 -5.246 40.356 -7.832 1.00 0.00 O ATOM 527 CB LYS A 36 -5.900 41.357 -10.447 1.00 0.00 C ATOM 528 CG LYS A 36 -5.590 42.496 -11.403 1.00 0.00 C ATOM 529 CD LYS A 36 -6.288 42.310 -12.740 1.00 0.00 C ATOM 530 CE LYS A 36 -7.501 43.218 -12.866 1.00 0.00 C ATOM 531 NZ LYS A 36 -8.502 42.675 -13.825 1.00 0.00 N1+ ATOM 0 H LYS A 36 -5.316 38.840 -11.366 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.799 41.053 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.712 40.759 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.257 41.772 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.902 43.441 -10.958 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.513 42.557 -11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.589 42.521 -13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.597 41.270 -12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.965 43.342 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.182 44.207 -13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.314 43.322 -13.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.067 42.580 -14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.826 41.742 -13.498 1.00 0.00 H new ATOM 545 N GLY A 37 -4.654 38.426 -8.826 1.00 0.00 N ATOM 546 CA GLY A 37 -4.802 37.653 -7.607 1.00 0.00 C ATOM 547 C GLY A 37 -3.836 36.485 -7.539 1.00 0.00 C ATOM 548 O GLY A 37 -2.974 36.434 -6.663 1.00 0.00 O ATOM 0 H GLY A 37 -4.361 37.888 -9.642 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.642 38.303 -6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.824 37.280 -7.539 1.00 0.00 H new ATOM 552 N LEU A 38 -3.982 35.547 -8.469 1.00 0.00 N ATOM 553 CA LEU A 38 -3.117 34.373 -8.510 1.00 0.00 C ATOM 554 C LEU A 38 -1.731 34.736 -9.035 1.00 0.00 C ATOM 555 O LEU A 38 -0.721 34.500 -8.372 1.00 0.00 O ATOM 556 CB LEU A 38 -3.738 33.287 -9.390 1.00 0.00 C ATOM 557 CG LEU A 38 -4.991 32.607 -8.834 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.529 31.587 -9.823 1.00 0.00 C ATOM 559 CD2 LEU A 38 -4.689 31.948 -7.495 1.00 0.00 C ATOM 0 H LEU A 38 -4.690 35.576 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.014 33.994 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.986 33.728 -10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.984 32.521 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.756 33.368 -8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.420 31.114 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.784 32.086 -10.758 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.770 30.828 -10.012 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.591 31.469 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.908 31.199 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.352 32.704 -6.785 1.00 0.00 H new ATOM 571 N THR A 39 -1.691 35.314 -10.231 1.00 0.00 N ATOM 572 CA THR A 39 -0.429 35.714 -10.844 1.00 0.00 C ATOM 573 C THR A 39 0.095 37.006 -10.233 1.00 0.00 C ATOM 574 O THR A 39 1.275 37.332 -10.366 1.00 0.00 O ATOM 575 CB THR A 39 -0.581 35.902 -12.366 1.00 0.00 C ATOM 576 OG1 THR A 39 -1.884 35.485 -12.785 1.00 0.00 O ATOM 577 CG2 THR A 39 0.476 35.107 -13.117 1.00 0.00 C ATOM 0 H THR A 39 -2.517 35.516 -10.795 1.00 0.00 H new ATOM 0 HA THR A 39 0.284 34.912 -10.653 1.00 0.00 H new ATOM 0 HB THR A 39 -0.449 36.960 -12.593 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.972 35.610 -13.753 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.349 35.255 -14.189 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.468 35.447 -12.819 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.370 34.048 -12.882 1.00 0.00 H new ATOM 585 N GLU A 40 -0.787 37.740 -9.562 1.00 0.00 N ATOM 586 CA GLU A 40 -0.411 38.999 -8.930 1.00 0.00 C ATOM 587 C GLU A 40 -0.055 38.785 -7.461 1.00 0.00 C ATOM 588 O GLU A 40 0.706 39.555 -6.877 1.00 0.00 O ATOM 589 CB GLU A 40 -1.548 40.015 -9.049 1.00 0.00 C ATOM 590 CG GLU A 40 -1.535 41.072 -7.957 1.00 0.00 C ATOM 591 CD GLU A 40 -2.262 40.624 -6.703 1.00 0.00 C ATOM 592 OE1 GLU A 40 -2.700 39.455 -6.657 1.00 0.00 O ATOM 593 OE2 GLU A 40 -2.394 41.442 -5.769 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.767 37.484 -9.442 1.00 0.00 H new ATOM 0 HA GLU A 40 0.467 39.387 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.485 40.507 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.501 39.487 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.503 41.317 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.997 41.984 -8.334 1.00 0.00 H new ATOM 600 N GLY A 41 -0.613 37.733 -6.869 1.00 0.00 N ATOM 601 CA GLY A 41 -0.345 37.437 -5.475 1.00 0.00 C ATOM 602 C GLY A 41 0.663 36.318 -5.303 1.00 0.00 C ATOM 603 O GLY A 41 1.527 36.380 -4.428 1.00 0.00 O ATOM 0 H GLY A 41 -1.246 37.080 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.026 38.335 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.276 37.162 -4.980 1.00 0.00 H new ATOM 607 N LEU A 42 0.554 35.293 -6.139 1.00 0.00 N ATOM 608 CA LEU A 42 1.464 34.153 -6.076 1.00 0.00 C ATOM 609 C LEU A 42 2.676 34.374 -6.976 1.00 0.00 C ATOM 610 O LEU A 42 3.754 33.831 -6.726 1.00 0.00 O ATOM 611 CB LEU A 42 0.737 32.872 -6.486 1.00 0.00 C ATOM 612 CG LEU A 42 -0.733 32.772 -6.073 1.00 0.00 C ATOM 613 CD1 LEU A 42 -1.415 31.620 -6.796 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.854 32.605 -4.566 1.00 0.00 C ATOM 0 H LEU A 42 -0.155 35.226 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 42 1.811 34.053 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.796 32.776 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.272 32.023 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.233 33.698 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.459 31.565 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.361 31.783 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.914 30.685 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.906 32.536 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.338 31.696 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.405 33.464 -4.068 1.00 0.00 H new ATOM 626 N HIS A 43 2.493 35.172 -8.022 1.00 0.00 N ATOM 627 CA HIS A 43 3.573 35.466 -8.958 1.00 0.00 C ATOM 628 C HIS A 43 3.859 36.964 -9.002 1.00 0.00 C ATOM 629 O HIS A 43 4.860 37.398 -9.570 1.00 0.00 O ATOM 630 CB HIS A 43 3.217 34.961 -10.356 1.00 0.00 C ATOM 631 CG HIS A 43 4.306 34.159 -10.999 1.00 0.00 C ATOM 632 ND1 HIS A 43 4.259 32.787 -11.122 1.00 0.00 N ATOM 633 CD2 HIS A 43 5.478 34.546 -11.557 1.00 0.00 C ATOM 634 CE1 HIS A 43 5.353 32.363 -11.728 1.00 0.00 C ATOM 635 NE2 HIS A 43 6.109 33.410 -12.001 1.00 0.00 N ATOM 0 H HIS A 43 1.607 35.627 -8.244 1.00 0.00 H new ATOM 0 HA HIS A 43 4.470 34.952 -8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.316 34.351 -10.294 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.981 35.814 -10.992 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.847 35.558 -11.638 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.589 31.335 -11.961 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.016 33.380 -12.467 1.00 0.00 H new ATOM 643 N GLY A 44 2.970 37.751 -8.402 1.00 0.00 N ATOM 644 CA GLY A 44 3.145 39.191 -8.386 1.00 0.00 C ATOM 645 C GLY A 44 3.573 39.708 -7.029 1.00 0.00 C ATOM 646 O GLY A 44 4.179 40.776 -6.924 1.00 0.00 O ATOM 0 H GLY A 44 2.132 37.416 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.891 39.471 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.210 39.671 -8.676 1.00 0.00 H new ATOM 650 N PHE A 45 3.260 38.951 -5.983 1.00 0.00 N ATOM 651 CA PHE A 45 3.615 39.341 -4.623 1.00 0.00 C ATOM 652 C PHE A 45 4.465 38.266 -3.953 1.00 0.00 C ATOM 653 O PHE A 45 5.096 38.508 -2.923 1.00 0.00 O ATOM 654 CB PHE A 45 2.352 39.595 -3.796 1.00 0.00 C ATOM 655 CG PHE A 45 2.602 39.644 -2.316 1.00 0.00 C ATOM 656 CD1 PHE A 45 2.571 38.484 -1.557 1.00 0.00 C ATOM 657 CD2 PHE A 45 2.873 40.847 -1.686 1.00 0.00 C ATOM 658 CE1 PHE A 45 2.800 38.527 -0.194 1.00 0.00 C ATOM 659 CE2 PHE A 45 3.105 40.894 -0.323 1.00 0.00 C ATOM 660 CZ PHE A 45 3.069 39.733 0.422 1.00 0.00 C ATOM 0 H PHE A 45 2.761 38.064 -6.051 1.00 0.00 H new ATOM 0 HA PHE A 45 4.198 40.260 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.905 40.537 -4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.625 38.810 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.366 37.538 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.904 41.758 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.768 37.618 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.314 41.838 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.251 39.768 1.486 1.00 0.00 H new ATOM 670 N HIS A 46 4.477 37.075 -4.545 1.00 0.00 N ATOM 671 CA HIS A 46 5.251 35.961 -4.006 1.00 0.00 C ATOM 672 C HIS A 46 6.530 35.748 -4.811 1.00 0.00 C ATOM 673 O HIS A 46 7.621 35.665 -4.250 1.00 0.00 O ATOM 674 CB HIS A 46 4.412 34.682 -4.010 1.00 0.00 C ATOM 675 CG HIS A 46 3.850 34.331 -2.666 1.00 0.00 C ATOM 676 ND1 HIS A 46 2.498 34.207 -2.426 1.00 0.00 N ATOM 677 CD2 HIS A 46 4.466 34.074 -1.489 1.00 0.00 C ATOM 678 CE1 HIS A 46 2.307 33.893 -1.157 1.00 0.00 C ATOM 679 NE2 HIS A 46 3.484 33.804 -0.567 1.00 0.00 N ATOM 0 H HIS A 46 3.960 36.857 -5.397 1.00 0.00 H new ATOM 0 HA HIS A 46 5.526 36.204 -2.979 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.592 34.797 -4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.027 33.855 -4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.531 34.080 -1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.350 33.736 -0.683 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.639 33.572 0.414 1.00 0.00 H new ATOM 687 N VAL A 47 6.386 35.659 -6.130 1.00 0.00 N ATOM 688 CA VAL A 47 7.527 35.456 -7.012 1.00 0.00 C ATOM 689 C VAL A 47 8.213 36.778 -7.338 1.00 0.00 C ATOM 690 O VAL A 47 9.384 36.981 -7.015 1.00 0.00 O ATOM 691 CB VAL A 47 7.107 34.772 -8.326 1.00 0.00 C ATOM 692 CG1 VAL A 47 8.303 34.617 -9.254 1.00 0.00 C ATOM 693 CG2 VAL A 47 6.466 33.422 -8.041 1.00 0.00 C ATOM 0 H VAL A 47 5.489 35.725 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 47 8.225 34.809 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 47 6.370 35.402 -8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.987 34.132 -10.177 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.715 35.600 -9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.065 34.009 -8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.175 32.952 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.180 32.783 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.583 33.563 -7.417 1.00 0.00 H new ATOM 703 N HIS A 48 7.475 37.679 -7.980 1.00 0.00 N ATOM 704 CA HIS A 48 8.011 38.984 -8.349 1.00 0.00 C ATOM 705 C HIS A 48 8.142 39.884 -7.124 1.00 0.00 C ATOM 706 O HIS A 48 9.222 40.400 -6.837 1.00 0.00 O ATOM 707 CB HIS A 48 7.114 39.651 -9.393 1.00 0.00 C ATOM 708 CG HIS A 48 7.416 39.233 -10.799 1.00 0.00 C ATOM 709 ND1 HIS A 48 6.643 38.333 -11.499 1.00 0.00 N ATOM 710 CD2 HIS A 48 8.414 39.600 -11.636 1.00 0.00 C ATOM 711 CE1 HIS A 48 7.153 38.162 -12.706 1.00 0.00 C ATOM 712 NE2 HIS A 48 8.230 38.921 -12.814 1.00 0.00 N ATOM 0 H HIS A 48 6.504 37.529 -8.255 1.00 0.00 H new ATOM 0 HA HIS A 48 9.003 38.834 -8.776 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.073 39.416 -9.169 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.221 40.733 -9.314 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.807 37.871 -11.141 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.208 40.298 -11.417 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.757 37.513 -13.473 1.00 0.00 H new ATOM 720 N GLU A 49 7.036 40.067 -6.409 1.00 0.00 N ATOM 721 CA GLU A 49 7.029 40.906 -5.216 1.00 0.00 C ATOM 722 C GLU A 49 7.151 42.380 -5.589 1.00 0.00 C ATOM 723 O GLU A 49 6.195 43.146 -5.459 1.00 0.00 O ATOM 724 CB GLU A 49 8.172 40.509 -4.280 1.00 0.00 C ATOM 725 CG GLU A 49 7.708 40.087 -2.896 1.00 0.00 C ATOM 726 CD GLU A 49 8.534 40.711 -1.788 1.00 0.00 C ATOM 727 OE1 GLU A 49 8.176 41.818 -1.332 1.00 0.00 O ATOM 728 OE2 GLU A 49 9.537 40.094 -1.377 1.00 0.00 O1- ATOM 0 H GLU A 49 6.135 39.646 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 49 6.080 40.756 -4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.732 39.690 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.859 41.350 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.663 40.367 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.760 39.001 -2.815 1.00 0.00 H new ATOM 1399 N SER A 98 11.605 60.446 -34.725 1.00 0.00 N ATOM 1400 CA SER A 98 10.508 61.400 -34.852 1.00 0.00 C ATOM 1401 C SER A 98 11.017 62.832 -34.707 1.00 0.00 C ATOM 1402 O SER A 98 10.602 63.724 -35.448 1.00 0.00 O ATOM 1403 CB SER A 98 9.437 61.119 -33.797 1.00 0.00 C ATOM 1404 OG SER A 98 8.216 61.757 -34.129 1.00 0.00 O ATOM 0 HA SER A 98 10.070 61.286 -35.844 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.278 60.044 -33.712 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.781 61.468 -32.823 1.00 0.00 H new ATOM 0 HG SER A 98 7.547 61.561 -33.440 1.00 0.00 H new ATOM 1410 N ILE A 99 11.915 63.042 -33.752 1.00 0.00 N ATOM 1411 CA ILE A 99 12.481 64.363 -33.513 1.00 0.00 C ATOM 1412 C ILE A 99 13.033 64.967 -34.800 1.00 0.00 C ATOM 1413 O ILE A 99 12.835 66.149 -35.078 1.00 0.00 O ATOM 1414 CB ILE A 99 13.603 64.313 -32.459 1.00 0.00 C ATOM 1415 CG1 ILE A 99 13.093 63.672 -31.167 1.00 0.00 C ATOM 1416 CG2 ILE A 99 14.138 65.712 -32.188 1.00 0.00 C ATOM 1417 CD1 ILE A 99 14.134 63.601 -30.074 1.00 0.00 C ATOM 0 H ILE A 99 12.267 62.314 -33.130 1.00 0.00 H new ATOM 0 HA ILE A 99 11.671 64.990 -33.140 1.00 0.00 H new ATOM 0 HB ILE A 99 14.418 63.702 -32.847 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.236 64.239 -30.804 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.739 62.665 -31.386 1.00 0.00 H new ATOM 0 HG21 ILE A 99 14.930 65.660 -31.441 1.00 0.00 H new ATOM 0 HG22 ILE A 99 14.536 66.134 -33.111 1.00 0.00 H new ATOM 0 HG23 ILE A 99 13.331 66.345 -31.818 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.701 63.135 -29.189 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.982 63.009 -30.417 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.471 64.608 -29.826 1.00 0.00 H new ATOM 1429 N GLU A 100 13.724 64.145 -35.583 1.00 0.00 N ATOM 1430 CA GLU A 100 14.305 64.598 -36.841 1.00 0.00 C ATOM 1431 C GLU A 100 13.214 64.914 -37.862 1.00 0.00 C ATOM 1432 O GLU A 100 13.340 65.850 -38.650 1.00 0.00 O ATOM 1433 CB GLU A 100 15.252 63.535 -37.405 1.00 0.00 C ATOM 1434 CG GLU A 100 16.187 62.941 -36.365 1.00 0.00 C ATOM 1435 CD GLU A 100 17.529 62.547 -36.947 1.00 0.00 C ATOM 1436 OE1 GLU A 100 17.552 61.990 -38.064 1.00 0.00 O ATOM 1437 OE2 GLU A 100 18.559 62.793 -36.283 1.00 0.00 O1- ATOM 0 H GLU A 100 13.895 63.163 -35.369 1.00 0.00 H new ATOM 0 HA GLU A 100 14.869 65.509 -36.642 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.662 62.734 -37.851 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.846 63.977 -38.205 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.340 63.664 -35.564 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.718 62.065 -35.918 1.00 0.00 H new ATOM 1444 N ASP A 101 12.143 64.128 -37.836 1.00 0.00 N ATOM 1445 CA ASP A 101 11.030 64.324 -38.756 1.00 0.00 C ATOM 1446 C ASP A 101 10.165 65.499 -38.319 1.00 0.00 C ATOM 1447 O ASP A 101 9.364 66.018 -39.099 1.00 0.00 O ATOM 1448 CB ASP A 101 10.182 63.053 -38.842 1.00 0.00 C ATOM 1449 CG ASP A 101 8.832 63.299 -39.485 1.00 0.00 C ATOM 1450 OD1 ASP A 101 8.769 63.353 -40.732 1.00 0.00 O ATOM 1451 OD2 ASP A 101 7.839 63.439 -38.743 1.00 0.00 O1- ATOM 0 H ASP A 101 12.023 63.350 -37.188 1.00 0.00 H new ATOM 0 HA ASP A 101 11.440 64.545 -39.742 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.721 62.298 -39.414 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.036 62.649 -37.840 1.00 0.00 H new ATOM 1456 N SER A 102 10.326 65.915 -37.068 1.00 0.00 N ATOM 1457 CA SER A 102 9.557 67.027 -36.525 1.00 0.00 C ATOM 1458 C SER A 102 10.357 68.325 -36.586 1.00 0.00 C ATOM 1459 O SER A 102 9.805 69.398 -36.827 1.00 0.00 O ATOM 1460 CB SER A 102 9.147 66.734 -35.079 1.00 0.00 C ATOM 1461 OG SER A 102 7.781 67.045 -34.864 1.00 0.00 O ATOM 0 H SER A 102 10.984 65.497 -36.410 1.00 0.00 H new ATOM 0 HA SER A 102 8.660 67.146 -37.133 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.324 65.682 -34.853 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.767 67.315 -34.397 1.00 0.00 H new ATOM 0 HG SER A 102 7.543 66.848 -33.934 1.00 0.00 H new ATOM 1467 N VAL A 103 11.664 68.216 -36.365 1.00 0.00 N ATOM 1468 CA VAL A 103 12.542 69.378 -36.395 1.00 0.00 C ATOM 1469 C VAL A 103 12.696 69.916 -37.813 1.00 0.00 C ATOM 1470 O VAL A 103 12.999 71.092 -38.013 1.00 0.00 O ATOM 1471 CB VAL A 103 13.937 69.044 -35.830 1.00 0.00 C ATOM 1472 CG1 VAL A 103 14.721 68.193 -36.817 1.00 0.00 C ATOM 1473 CG2 VAL A 103 14.694 70.320 -35.493 1.00 0.00 C ATOM 0 H VAL A 103 12.137 67.335 -36.163 1.00 0.00 H new ATOM 0 HA VAL A 103 12.077 70.140 -35.769 1.00 0.00 H new ATOM 0 HB VAL A 103 13.812 68.470 -34.912 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.703 67.967 -36.402 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.183 67.264 -37.004 1.00 0.00 H new ATOM 0 HG13 VAL A 103 14.840 68.738 -37.753 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.677 70.066 -35.095 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.812 70.922 -36.394 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.137 70.888 -34.748 1.00 0.00 H new ATOM 1483 N ILE A 104 12.484 69.045 -38.795 1.00 0.00 N ATOM 1484 CA ILE A 104 12.597 69.432 -40.195 1.00 0.00 C ATOM 1485 C ILE A 104 11.235 69.800 -40.776 1.00 0.00 C ATOM 1486 O ILE A 104 11.143 70.579 -41.727 1.00 0.00 O ATOM 1487 CB ILE A 104 13.216 68.305 -41.043 1.00 0.00 C ATOM 1488 CG1 ILE A 104 14.633 67.994 -40.558 1.00 0.00 C ATOM 1489 CG2 ILE A 104 13.226 68.693 -42.514 1.00 0.00 C ATOM 1490 CD1 ILE A 104 15.582 69.167 -40.671 1.00 0.00 C ATOM 0 H ILE A 104 12.233 68.068 -38.646 1.00 0.00 H new ATOM 0 HA ILE A 104 13.252 70.303 -40.229 1.00 0.00 H new ATOM 0 HB ILE A 104 12.608 67.408 -40.929 1.00 0.00 H new ATOM 0 HG12 ILE A 104 14.590 67.671 -39.518 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.030 67.159 -41.135 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.666 67.886 -43.100 1.00 0.00 H new ATOM 0 HG22 ILE A 104 12.204 68.870 -42.851 1.00 0.00 H new ATOM 0 HG23 ILE A 104 13.814 69.601 -42.647 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.568 68.874 -40.309 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.655 69.477 -41.714 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.208 69.997 -40.072 1.00 0.00 H new ATOM 1502 N SER A 105 10.180 69.238 -40.197 1.00 0.00 N ATOM 1503 CA SER A 105 8.822 69.504 -40.657 1.00 0.00 C ATOM 1504 C SER A 105 8.253 70.746 -39.979 1.00 0.00 C ATOM 1505 O SER A 105 7.335 71.385 -40.494 1.00 0.00 O ATOM 1506 CB SER A 105 7.921 68.300 -40.382 1.00 0.00 C ATOM 1507 OG SER A 105 7.660 68.165 -38.995 1.00 0.00 O ATOM 0 H SER A 105 10.239 68.595 -39.408 1.00 0.00 H new ATOM 0 HA SER A 105 8.858 69.682 -41.732 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.981 68.414 -40.923 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.396 67.393 -40.756 1.00 0.00 H new ATOM 0 HG SER A 105 7.081 67.389 -38.845 1.00 0.00 H new ATOM 1513 N LEU A 106 8.803 71.082 -38.816 1.00 0.00 N ATOM 1514 CA LEU A 106 8.350 72.247 -38.065 1.00 0.00 C ATOM 1515 C LEU A 106 9.058 73.512 -38.539 1.00 0.00 C ATOM 1516 O LEU A 106 8.457 74.582 -38.613 1.00 0.00 O ATOM 1517 CB LEU A 106 8.597 72.041 -36.569 1.00 0.00 C ATOM 1518 CG LEU A 106 7.873 73.006 -35.629 1.00 0.00 C ATOM 1519 CD1 LEU A 106 6.992 72.242 -34.655 1.00 0.00 C ATOM 1520 CD2 LEU A 106 8.876 73.872 -34.879 1.00 0.00 C ATOM 0 H LEU A 106 9.562 70.564 -38.374 1.00 0.00 H new ATOM 0 HA LEU A 106 7.280 72.366 -38.238 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.303 71.024 -36.310 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.668 72.120 -36.384 1.00 0.00 H new ATOM 0 HG LEU A 106 7.236 73.658 -36.227 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.485 72.945 -33.994 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.251 71.666 -35.209 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.607 71.566 -34.062 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.344 74.553 -34.215 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.538 73.236 -34.292 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.465 74.448 -35.593 1.00 0.00 H new ATOM 1532 N SER A 107 10.342 73.377 -38.862 1.00 0.00 N ATOM 1533 CA SER A 107 11.134 74.509 -39.329 1.00 0.00 C ATOM 1534 C SER A 107 11.228 74.516 -40.852 1.00 0.00 C ATOM 1535 O SER A 107 11.208 75.573 -41.481 1.00 0.00 O ATOM 1536 CB SER A 107 12.538 74.462 -38.721 1.00 0.00 C ATOM 1537 OG SER A 107 13.489 74.008 -39.669 1.00 0.00 O ATOM 0 H SER A 107 10.854 72.497 -38.809 1.00 0.00 H new ATOM 0 HA SER A 107 10.637 75.425 -39.009 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.818 75.454 -38.367 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.540 73.802 -37.854 1.00 0.00 H new ATOM 0 HG SER A 107 14.378 73.988 -39.257 1.00 0.00 H new ATOM 1543 N GLY A 108 11.329 73.326 -41.438 1.00 0.00 N ATOM 1544 CA GLY A 108 11.424 73.218 -42.882 1.00 0.00 C ATOM 1545 C GLY A 108 10.083 73.385 -43.565 1.00 0.00 C ATOM 1546 O GLY A 108 9.988 73.310 -44.790 1.00 0.00 O ATOM 0 H GLY A 108 11.347 72.437 -40.939 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.115 73.974 -43.255 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.843 72.246 -43.144 1.00 0.00 H new ATOM 1550 N ASP A 109 9.040 73.608 -42.772 1.00 0.00 N ATOM 1551 CA ASP A 109 7.696 73.786 -43.307 1.00 0.00 C ATOM 1552 C ASP A 109 7.006 74.983 -42.661 1.00 0.00 C ATOM 1553 O ASP A 109 5.782 75.107 -42.705 1.00 0.00 O ATOM 1554 CB ASP A 109 6.865 72.521 -43.085 1.00 0.00 C ATOM 1555 CG ASP A 109 6.142 72.074 -44.341 1.00 0.00 C ATOM 1556 OD1 ASP A 109 5.013 72.553 -44.578 1.00 0.00 O ATOM 1557 OD2 ASP A 109 6.706 71.247 -45.087 1.00 0.00 O1- ATOM 0 H ASP A 109 9.100 73.670 -41.756 1.00 0.00 H new ATOM 0 HA ASP A 109 7.780 73.974 -44.377 1.00 0.00 H new ATOM 0 HB2 ASP A 109 7.516 71.718 -42.739 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.136 72.703 -42.295 1.00 0.00 H new ATOM 1562 N HIS A 110 7.801 75.863 -42.057 1.00 0.00 N ATOM 1563 CA HIS A 110 7.267 77.050 -41.400 1.00 0.00 C ATOM 1564 C HIS A 110 7.825 78.321 -42.037 1.00 0.00 C ATOM 1565 O HIS A 110 7.107 79.306 -42.209 1.00 0.00 O ATOM 1566 CB HIS A 110 7.596 77.025 -39.908 1.00 0.00 C ATOM 1567 CG HIS A 110 7.236 78.291 -39.193 1.00 0.00 C ATOM 1568 ND1 HIS A 110 6.041 78.952 -39.391 1.00 0.00 N ATOM 1569 CD2 HIS A 110 7.917 79.016 -38.277 1.00 0.00 C ATOM 1570 CE1 HIS A 110 6.005 80.030 -38.629 1.00 0.00 C ATOM 1571 NE2 HIS A 110 7.133 80.091 -37.941 1.00 0.00 N ATOM 0 H HIS A 110 8.816 75.775 -42.010 1.00 0.00 H new ATOM 0 HA HIS A 110 6.184 77.048 -41.524 1.00 0.00 H new ATOM 0 HB2 HIS A 110 7.069 76.192 -39.442 1.00 0.00 H new ATOM 0 HB3 HIS A 110 8.662 76.838 -39.783 1.00 0.00 H new ATOM 0 HD2 HIS A 110 8.897 78.791 -37.883 1.00 0.00 H new ATOM 0 HE1 HIS A 110 5.193 80.740 -38.577 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.380 80.819 -37.270 1.00 0.00 H new ATOM 1579 N CYS A 111 9.106 78.289 -42.382 1.00 0.00 N ATOM 1580 CA CYS A 111 9.762 79.438 -42.997 1.00 0.00 C ATOM 1581 C CYS A 111 10.268 79.092 -44.394 1.00 0.00 C ATOM 1582 O CYS A 111 9.987 79.801 -45.359 1.00 0.00 O ATOM 1583 CB CYS A 111 10.925 79.916 -42.124 1.00 0.00 C ATOM 1584 SG CYS A 111 11.880 78.579 -41.371 1.00 0.00 S ATOM 0 H CYS A 111 9.712 77.480 -42.247 1.00 0.00 H new ATOM 0 HA CYS A 111 9.029 80.240 -43.084 1.00 0.00 H new ATOM 0 HB2 CYS A 111 11.593 80.528 -42.730 1.00 0.00 H new ATOM 0 HB3 CYS A 111 10.533 80.557 -41.335 1.00 0.00 H new ATOM 0 HG CYS A 111 11.388 77.433 -41.739 1.00 0.00 H new ATOM 1590 N ILE A 112 11.014 77.997 -44.491 1.00 0.00 N ATOM 1591 CA ILE A 112 11.560 77.558 -45.771 1.00 0.00 C ATOM 1592 C ILE A 112 10.494 77.585 -46.861 1.00 0.00 C ATOM 1593 O ILE A 112 10.807 77.718 -48.045 1.00 0.00 O ATOM 1594 CB ILE A 112 12.146 76.138 -45.674 1.00 0.00 C ATOM 1595 CG1 ILE A 112 13.220 76.077 -44.588 1.00 0.00 C ATOM 1596 CG2 ILE A 112 12.717 75.707 -47.017 1.00 0.00 C ATOM 1597 CD1 ILE A 112 14.354 77.054 -44.806 1.00 0.00 C ATOM 0 H ILE A 112 11.254 77.398 -43.701 1.00 0.00 H new ATOM 0 HA ILE A 112 12.358 78.254 -46.031 1.00 0.00 H new ATOM 0 HB ILE A 112 11.345 75.450 -45.404 1.00 0.00 H new ATOM 0 HG12 ILE A 112 12.759 76.277 -43.621 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.625 75.066 -44.545 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.128 74.701 -46.932 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.927 75.714 -47.768 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.506 76.397 -47.315 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.079 76.956 -43.998 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.840 76.841 -45.758 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.961 78.071 -44.819 1.00 0.00 H new ATOM 1609 N ILE A 113 9.236 77.461 -46.453 1.00 0.00 N ATOM 1610 CA ILE A 113 8.124 77.473 -47.395 1.00 0.00 C ATOM 1611 C ILE A 113 7.437 78.833 -47.416 1.00 0.00 C ATOM 1612 O ILE A 113 7.203 79.406 -48.478 1.00 0.00 O ATOM 1613 CB ILE A 113 7.083 76.388 -47.053 1.00 0.00 C ATOM 1614 CG1 ILE A 113 7.730 75.003 -47.084 1.00 0.00 C ATOM 1615 CG2 ILE A 113 5.912 76.455 -48.021 1.00 0.00 C ATOM 1616 CD1 ILE A 113 6.769 73.881 -46.758 1.00 0.00 C ATOM 0 H ILE A 113 8.961 77.351 -45.477 1.00 0.00 H new ATOM 0 HA ILE A 113 8.542 77.265 -48.380 1.00 0.00 H new ATOM 0 HB ILE A 113 6.707 76.569 -46.046 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.155 74.831 -48.073 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.557 74.981 -46.374 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.185 75.683 -47.767 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.439 77.435 -47.953 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.271 76.295 -49.038 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.296 72.928 -46.799 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.363 74.029 -45.757 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.955 73.877 -47.483 1.00 0.00 H new ATOM 1628 N GLY A 114 7.115 79.346 -46.232 1.00 0.00 N ATOM 1629 CA GLY A 114 6.459 80.638 -46.136 1.00 0.00 C ATOM 1630 C GLY A 114 7.437 81.791 -46.223 1.00 0.00 C ATOM 1631 O GLY A 114 7.209 82.752 -46.959 1.00 0.00 O ATOM 0 H GLY A 114 7.297 78.890 -45.338 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.723 80.729 -46.935 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.915 80.697 -45.193 1.00 0.00 H new ATOM 1635 N ARG A 115 8.528 81.701 -45.471 1.00 0.00 N ATOM 1636 CA ARG A 115 9.542 82.748 -45.463 1.00 0.00 C ATOM 1637 C ARG A 115 9.954 83.113 -46.885 1.00 0.00 C ATOM 1638 O ARG A 115 10.414 84.226 -47.144 1.00 0.00 O ATOM 1639 CB ARG A 115 10.767 82.296 -44.666 1.00 0.00 C ATOM 1640 CG ARG A 115 11.678 83.439 -44.251 1.00 0.00 C ATOM 1641 CD ARG A 115 12.939 83.482 -45.102 1.00 0.00 C ATOM 1642 NE ARG A 115 13.949 82.539 -44.628 1.00 0.00 N ATOM 1643 CZ ARG A 115 14.625 82.693 -43.494 1.00 0.00 C ATOM 1644 NH1 ARG A 115 14.397 83.746 -42.721 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 15.530 81.793 -43.132 1.00 0.00 N ATOM 0 H ARG A 115 8.733 80.912 -44.858 1.00 0.00 H new ATOM 0 HA ARG A 115 9.114 83.631 -44.988 1.00 0.00 H new ATOM 0 HB2 ARG A 115 10.434 81.765 -43.774 1.00 0.00 H new ATOM 0 HB3 ARG A 115 11.338 81.586 -45.265 1.00 0.00 H new ATOM 0 HG2 ARG A 115 11.143 84.384 -44.343 1.00 0.00 H new ATOM 0 HG3 ARG A 115 11.949 83.327 -43.201 1.00 0.00 H new ATOM 0 HD2 ARG A 115 12.686 83.253 -46.137 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.351 84.491 -45.090 1.00 0.00 H new ATOM 0 HE ARG A 115 14.146 81.717 -45.199 1.00 0.00 H new ATOM 0 HH11 ARG A 115 13.702 84.440 -42.996 1.00 0.00 H new ATOM 0 HH12 ARG A 115 14.917 83.862 -41.851 1.00 0.00 H new ATOM 0 HH21 ARG A 115 15.708 80.982 -43.724 1.00 0.00 H new ATOM 0 HH22 ARG A 115 16.048 81.912 -42.262 1.00 0.00 H new ATOM 1659 N THR A 116 9.788 82.169 -47.807 1.00 0.00 N ATOM 1660 CA THR A 116 10.144 82.391 -49.202 1.00 0.00 C ATOM 1661 C THR A 116 8.912 82.701 -50.043 1.00 0.00 C ATOM 1662 O THR A 116 8.943 83.576 -50.909 1.00 0.00 O ATOM 1663 CB THR A 116 10.863 81.166 -49.799 1.00 0.00 C ATOM 1664 OG1 THR A 116 11.209 81.420 -51.166 1.00 0.00 O ATOM 1665 CG2 THR A 116 9.984 79.929 -49.716 1.00 0.00 C ATOM 0 H THR A 116 9.409 81.243 -47.611 1.00 0.00 H new ATOM 0 HA THR A 116 10.819 83.247 -49.223 1.00 0.00 H new ATOM 0 HB THR A 116 11.770 80.987 -49.221 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.667 80.638 -51.538 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.513 79.077 -50.144 1.00 0.00 H new ATOM 0 HG22 THR A 116 9.745 79.722 -48.673 1.00 0.00 H new ATOM 0 HG23 THR A 116 9.062 80.100 -50.272 1.00 0.00 H new ATOM 1673 N LEU A 117 7.825 81.981 -49.780 1.00 0.00 N ATOM 1674 CA LEU A 117 6.580 82.182 -50.512 1.00 0.00 C ATOM 1675 C LEU A 117 5.998 83.562 -50.229 1.00 0.00 C ATOM 1676 O LEU A 117 5.169 84.065 -50.988 1.00 0.00 O ATOM 1677 CB LEU A 117 5.565 81.100 -50.136 1.00 0.00 C ATOM 1678 CG LEU A 117 4.233 81.139 -50.885 1.00 0.00 C ATOM 1679 CD1 LEU A 117 3.754 79.730 -51.197 1.00 0.00 C ATOM 1680 CD2 LEU A 117 3.189 81.895 -50.077 1.00 0.00 C ATOM 0 H LEU A 117 7.782 81.254 -49.066 1.00 0.00 H new ATOM 0 HA LEU A 117 6.798 82.113 -51.578 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.024 80.126 -50.303 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.361 81.177 -49.068 1.00 0.00 H new ATOM 0 HG LEU A 117 4.383 81.665 -51.828 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.805 79.778 -51.730 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.493 79.223 -51.817 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.620 79.177 -50.267 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.247 81.913 -50.625 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.041 81.398 -49.118 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.530 82.916 -49.908 1.00 0.00 H new ATOM 1692 N VAL A 118 6.439 84.172 -49.133 1.00 0.00 N ATOM 1693 CA VAL A 118 5.965 85.497 -48.752 1.00 0.00 C ATOM 1694 C VAL A 118 6.992 86.569 -49.098 1.00 0.00 C ATOM 1695 O VAL A 118 6.647 87.625 -49.628 1.00 0.00 O ATOM 1696 CB VAL A 118 5.651 85.569 -47.246 1.00 0.00 C ATOM 1697 CG1 VAL A 118 5.153 86.956 -46.869 1.00 0.00 C ATOM 1698 CG2 VAL A 118 4.633 84.505 -46.864 1.00 0.00 C ATOM 0 H VAL A 118 7.124 83.769 -48.493 1.00 0.00 H new ATOM 0 HA VAL A 118 5.050 85.680 -49.315 1.00 0.00 H new ATOM 0 HB VAL A 118 6.569 85.377 -46.691 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.936 86.987 -45.801 1.00 0.00 H new ATOM 0 HG12 VAL A 118 5.919 87.694 -47.106 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.246 87.182 -47.430 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.422 84.570 -45.797 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.713 84.664 -47.426 1.00 0.00 H new ATOM 0 HG23 VAL A 118 5.034 83.518 -47.096 1.00 0.00 H new ATOM 1708 N VAL A 119 8.256 86.290 -48.795 1.00 0.00 N ATOM 1709 CA VAL A 119 9.333 87.230 -49.076 1.00 0.00 C ATOM 1710 C VAL A 119 9.740 87.176 -50.544 1.00 0.00 C ATOM 1711 O VAL A 119 9.665 88.178 -51.258 1.00 0.00 O ATOM 1712 CB VAL A 119 10.568 86.944 -48.201 1.00 0.00 C ATOM 1713 CG1 VAL A 119 11.705 87.891 -48.556 1.00 0.00 C ATOM 1714 CG2 VAL A 119 10.213 87.054 -46.726 1.00 0.00 C ATOM 0 H VAL A 119 8.558 85.421 -48.355 1.00 0.00 H new ATOM 0 HA VAL A 119 8.954 88.225 -48.844 1.00 0.00 H new ATOM 0 HB VAL A 119 10.901 85.925 -48.396 1.00 0.00 H new ATOM 0 HG11 VAL A 119 12.569 87.674 -47.928 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.976 87.758 -49.603 1.00 0.00 H new ATOM 0 HG13 VAL A 119 11.386 88.920 -48.391 1.00 0.00 H new ATOM 0 HG21 VAL A 119 11.097 86.849 -46.123 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.854 88.061 -46.512 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.433 86.331 -46.485 1.00 0.00 H new ATOM 1724 N HIS A 120 10.175 86.002 -50.991 1.00 0.00 N ATOM 1725 CA HIS A 120 10.593 85.818 -52.375 1.00 0.00 C ATOM 1726 C HIS A 120 9.477 85.186 -53.200 1.00 0.00 C ATOM 1727 O HIS A 120 9.730 84.336 -54.055 1.00 0.00 O ATOM 1728 CB HIS A 120 11.848 84.946 -52.438 1.00 0.00 C ATOM 1729 CG HIS A 120 13.046 85.571 -51.794 1.00 0.00 C ATOM 1730 ND1 HIS A 120 13.922 84.868 -50.993 1.00 0.00 N ATOM 1731 CD2 HIS A 120 13.514 86.840 -51.839 1.00 0.00 C ATOM 1732 CE1 HIS A 120 14.875 85.679 -50.570 1.00 0.00 C ATOM 1733 NE2 HIS A 120 14.651 86.882 -51.069 1.00 0.00 N ATOM 0 H HIS A 120 10.247 85.164 -50.414 1.00 0.00 H new ATOM 0 HA HIS A 120 10.819 86.798 -52.795 1.00 0.00 H new ATOM 0 HB2 HIS A 120 11.642 83.992 -51.953 1.00 0.00 H new ATOM 0 HB3 HIS A 120 12.078 84.730 -53.481 1.00 0.00 H new ATOM 0 HD2 HIS A 120 13.075 87.666 -52.379 1.00 0.00 H new ATOM 0 HE1 HIS A 120 15.698 85.405 -49.926 1.00 0.00 H new ATOM 0 HE2 HIS A 120 15.228 87.707 -50.909 1.00 0.00 H new ATOM 1741 N GLU A 121 8.243 85.605 -52.938 1.00 0.00 N ATOM 1742 CA GLU A 121 7.090 85.079 -53.657 1.00 0.00 C ATOM 1743 C GLU A 121 7.268 85.237 -55.165 1.00 0.00 C ATOM 1744 O GLU A 121 6.843 84.385 -55.945 1.00 0.00 O ATOM 1745 CB GLU A 121 5.813 85.790 -53.207 1.00 0.00 C ATOM 1746 CG GLU A 121 4.538 85.075 -53.623 1.00 0.00 C ATOM 1747 CD GLU A 121 3.292 85.718 -53.044 1.00 0.00 C ATOM 1748 OE1 GLU A 121 3.295 86.034 -51.837 1.00 0.00 O ATOM 1749 OE2 GLU A 121 2.315 85.904 -53.798 1.00 0.00 O1- ATOM 0 H GLU A 121 8.017 86.307 -52.233 1.00 0.00 H new ATOM 0 HA GLU A 121 7.007 84.017 -53.428 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.826 85.889 -52.122 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.805 86.799 -53.619 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.467 85.070 -54.711 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.588 84.035 -53.302 1.00 0.00 H new