USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 49 THR OG1 : rot 95:sc= 1.27 USER MOD Set 1.2: A 51 HIS : no HE2:sc= -4.12! C(o=-2.8!,f=-4.6!) USER MOD Single : A 11 GLN :FLIP amide:sc= -6.39! C(o=-8!,f=-6.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.16) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 0.0996 (180deg=0.00366) USER MOD Single : A 25 ASN : amide:sc= -4.85! C(o=-4.9!,f=-9.4!) USER MOD Single : A 28 GLN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 44:sc= 0.141 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -2 F(o=-5!,f=-2) USER MOD Single : A 60 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -54:sc= 0.678 USER MOD Single : A 69 GLN : amide:sc= -4.94 K(o=-4.9,f=-5.6!) USER MOD Single : A 73 TYR OH : rot -89:sc= 0.515 USER MOD Single : A 74 SER OG : rot 39:sc= 0.744 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.548 -6.267 5.634 1.00 0.00 N ATOM 145 CA ASP A 10 5.519 -5.622 4.836 1.00 0.00 C ATOM 146 C ASP A 10 5.364 -4.169 5.288 1.00 0.00 C ATOM 147 O ASP A 10 6.059 -3.721 6.199 1.00 0.00 O ATOM 148 CB ASP A 10 4.167 -6.319 5.014 1.00 0.00 C ATOM 149 CG ASP A 10 3.955 -6.977 6.378 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.643 -7.989 6.634 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.107 -6.455 7.134 1.00 0.00 O ATOM 0 HA ASP A 10 5.820 -5.677 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.374 -5.588 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.062 -7.079 4.240 1.00 0.00 H new ATOM 156 N GLN A 11 4.450 -3.472 4.630 1.00 0.00 N ATOM 157 CA GLN A 11 4.195 -2.078 4.952 1.00 0.00 C ATOM 158 C GLN A 11 2.846 -1.638 4.380 1.00 0.00 C ATOM 159 O GLN A 11 2.578 -1.832 3.196 1.00 0.00 O ATOM 160 CB GLN A 11 5.326 -1.183 4.442 1.00 0.00 C ATOM 161 CG GLN A 11 5.195 0.236 5.000 1.00 0.00 C ATOM 162 CD GLN A 11 5.978 1.236 4.146 1.00 0.00 C ATOM 163 OE1 GLN A 11 7.298 1.148 4.284 1.00 0.00 O flip ATOM 164 NE2 GLN A 11 5.421 2.034 3.411 1.00 0.00 N flip ATOM 0 H GLN A 11 3.876 -3.847 3.875 1.00 0.00 H new ATOM 0 HA GLN A 11 4.156 -1.977 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.288 -1.605 4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.308 -1.153 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.144 0.523 5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.562 0.262 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.403 2.048 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.973 2.687 2.855 1.00 0.00 H new ATOM 173 N VAL A 12 2.034 -1.054 5.248 1.00 0.00 N ATOM 174 CA VAL A 12 0.719 -0.585 4.844 1.00 0.00 C ATOM 175 C VAL A 12 0.776 0.922 4.589 1.00 0.00 C ATOM 176 O VAL A 12 1.748 1.581 4.955 1.00 0.00 O ATOM 177 CB VAL A 12 -0.322 -0.974 5.896 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.686 -1.224 5.252 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.139 -2.193 6.699 1.00 0.00 C ATOM 0 H VAL A 12 2.261 -0.895 6.230 1.00 0.00 H new ATOM 0 HA VAL A 12 0.414 -1.061 3.912 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.428 -0.138 6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.407 -1.499 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.022 -0.318 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.603 -2.034 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.619 -2.449 7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.288 -3.037 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.077 -1.962 7.204 1.00 0.00 H new ATOM 189 N LEU A 13 -0.277 1.424 3.961 1.00 0.00 N ATOM 190 CA LEU A 13 -0.359 2.842 3.651 1.00 0.00 C ATOM 191 C LEU A 13 -1.829 3.246 3.515 1.00 0.00 C ATOM 192 O LEU A 13 -2.648 2.465 3.032 1.00 0.00 O ATOM 193 CB LEU A 13 0.487 3.171 2.421 1.00 0.00 C ATOM 194 CG LEU A 13 -0.120 2.792 1.068 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.376 4.035 0.214 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.754 1.767 0.342 1.00 0.00 C ATOM 0 H LEU A 13 -1.081 0.874 3.658 1.00 0.00 H new ATOM 0 HA LEU A 13 0.060 3.435 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.688 4.242 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.448 2.666 2.520 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.086 2.321 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.807 3.737 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.068 4.697 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.565 4.557 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.300 1.515 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.745 2.188 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.840 0.867 0.950 1.00 0.00 H new ATOM 208 N GLU A 14 -2.117 4.464 3.947 1.00 0.00 N ATOM 209 CA GLU A 14 -3.473 4.981 3.879 1.00 0.00 C ATOM 210 C GLU A 14 -3.638 5.878 2.651 1.00 0.00 C ATOM 211 O GLU A 14 -2.893 6.840 2.477 1.00 0.00 O ATOM 212 CB GLU A 14 -3.839 5.732 5.160 1.00 0.00 C ATOM 213 CG GLU A 14 -2.666 6.584 5.650 1.00 0.00 C ATOM 214 CD GLU A 14 -3.164 7.837 6.373 1.00 0.00 C ATOM 215 OE1 GLU A 14 -3.909 8.608 5.729 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.788 7.997 7.555 1.00 0.00 O ATOM 0 H GLU A 14 -1.434 5.109 4.346 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.158 4.138 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.705 6.369 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.124 5.020 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.041 5.996 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.042 6.872 4.804 1.00 0.00 H new ATOM 223 N ILE A 15 -4.618 5.529 1.831 1.00 0.00 N ATOM 224 CA ILE A 15 -4.891 6.291 0.623 1.00 0.00 C ATOM 225 C ILE A 15 -6.259 6.965 0.748 1.00 0.00 C ATOM 226 O ILE A 15 -7.166 6.423 1.378 1.00 0.00 O ATOM 227 CB ILE A 15 -4.753 5.401 -0.614 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.353 4.790 -0.697 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.120 6.170 -1.885 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.419 3.329 -1.144 1.00 0.00 C ATOM 0 H ILE A 15 -5.233 4.729 1.979 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.155 7.085 0.499 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.459 4.575 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.744 5.361 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.866 4.855 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.014 5.515 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.151 6.516 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.457 7.028 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.411 2.918 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.009 2.756 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.885 3.270 -2.128 1.00 0.00 H new ATOM 242 N VAL A 16 -6.364 8.135 0.137 1.00 0.00 N ATOM 243 CA VAL A 16 -7.606 8.888 0.171 1.00 0.00 C ATOM 244 C VAL A 16 -7.977 9.318 -1.249 1.00 0.00 C ATOM 245 O VAL A 16 -7.566 10.382 -1.708 1.00 0.00 O ATOM 246 CB VAL A 16 -7.476 10.068 1.137 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.801 10.823 1.261 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.980 9.602 2.508 1.00 0.00 C ATOM 0 H VAL A 16 -5.609 8.581 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.419 8.266 0.545 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.735 10.756 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.681 11.657 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.096 11.203 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.571 10.148 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.896 10.460 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.686 8.885 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.004 9.129 2.400 1.00 0.00 H new ATOM 258 N PRO A 17 -8.771 8.444 -1.925 1.00 0.00 N ATOM 259 CA PRO A 17 -9.203 8.722 -3.284 1.00 0.00 C ATOM 260 C PRO A 17 -10.300 9.788 -3.305 1.00 0.00 C ATOM 261 O PRO A 17 -10.656 10.336 -2.263 1.00 0.00 O ATOM 262 CB PRO A 17 -9.667 7.382 -3.831 1.00 0.00 C ATOM 263 CG PRO A 17 -9.916 6.500 -2.618 1.00 0.00 C ATOM 264 CD PRO A 17 -9.278 7.173 -1.413 1.00 0.00 C ATOM 0 HA PRO A 17 -8.406 9.136 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.574 7.495 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.912 6.944 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.986 6.365 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.489 5.509 -2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.004 7.329 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.475 6.564 -0.998 1.00 0.00 H new ATOM 272 N SER A 18 -10.804 10.050 -4.501 1.00 0.00 N ATOM 273 CA SER A 18 -11.853 11.042 -4.671 1.00 0.00 C ATOM 274 C SER A 18 -12.557 10.833 -6.013 1.00 0.00 C ATOM 275 O SER A 18 -13.782 10.903 -6.092 1.00 0.00 O ATOM 276 CB SER A 18 -11.288 12.461 -4.582 1.00 0.00 C ATOM 277 OG SER A 18 -12.318 13.439 -4.470 1.00 0.00 O ATOM 0 H SER A 18 -10.506 9.593 -5.363 1.00 0.00 H new ATOM 0 HA SER A 18 -12.577 10.918 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.624 12.534 -3.721 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.686 12.668 -5.467 1.00 0.00 H new ATOM 0 HG SER A 18 -11.917 14.331 -4.414 1.00 0.00 H new ATOM 283 N ASN A 19 -11.752 10.583 -7.035 1.00 0.00 N ATOM 284 CA ASN A 19 -12.283 10.364 -8.370 1.00 0.00 C ATOM 285 C ASN A 19 -12.357 8.861 -8.645 1.00 0.00 C ATOM 286 O ASN A 19 -12.086 8.051 -7.760 1.00 0.00 O ATOM 287 CB ASN A 19 -11.381 10.996 -9.432 1.00 0.00 C ATOM 288 CG ASN A 19 -11.797 12.440 -9.717 1.00 0.00 C ATOM 289 OD1 ASN A 19 -12.942 12.736 -10.017 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.806 13.320 -9.605 1.00 0.00 N ATOM 0 H ASN A 19 -10.736 10.527 -6.966 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.272 10.821 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.345 10.972 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.431 10.412 -10.351 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.982 14.310 -9.774 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.870 13.004 -9.350 1.00 0.00 H new ATOM 297 N GLU A 20 -12.724 8.534 -9.876 1.00 0.00 N ATOM 298 CA GLU A 20 -12.835 7.143 -10.278 1.00 0.00 C ATOM 299 C GLU A 20 -11.503 6.644 -10.842 1.00 0.00 C ATOM 300 O GLU A 20 -11.191 5.458 -10.747 1.00 0.00 O ATOM 301 CB GLU A 20 -13.965 6.955 -11.293 1.00 0.00 C ATOM 302 CG GLU A 20 -15.292 6.665 -10.589 1.00 0.00 C ATOM 303 CD GLU A 20 -16.116 7.943 -10.421 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.749 8.346 -11.420 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.092 8.488 -9.297 1.00 0.00 O ATOM 0 H GLU A 20 -12.948 9.209 -10.607 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.078 6.549 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.062 7.852 -11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.720 6.134 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.861 5.935 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.100 6.221 -9.612 1.00 0.00 H new ATOM 312 N GLU A 21 -10.755 7.575 -11.416 1.00 0.00 N ATOM 313 CA GLU A 21 -9.464 7.244 -11.995 1.00 0.00 C ATOM 314 C GLU A 21 -8.514 6.726 -10.913 1.00 0.00 C ATOM 315 O GLU A 21 -7.924 5.657 -11.061 1.00 0.00 O ATOM 316 CB GLU A 21 -8.863 8.450 -12.720 1.00 0.00 C ATOM 317 CG GLU A 21 -7.352 8.286 -12.897 1.00 0.00 C ATOM 318 CD GLU A 21 -7.032 7.076 -13.776 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.955 6.636 -14.496 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.871 6.617 -13.709 1.00 0.00 O ATOM 0 H GLU A 21 -11.018 8.558 -11.492 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.610 6.454 -12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.337 8.566 -13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.070 9.359 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.935 9.187 -13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.879 8.167 -11.922 1.00 0.00 H new ATOM 327 N GLN A 22 -8.397 7.507 -9.850 1.00 0.00 N ATOM 328 CA GLN A 22 -7.529 7.140 -8.744 1.00 0.00 C ATOM 329 C GLN A 22 -7.960 5.797 -8.153 1.00 0.00 C ATOM 330 O GLN A 22 -7.123 5.010 -7.715 1.00 0.00 O ATOM 331 CB GLN A 22 -7.516 8.232 -7.672 1.00 0.00 C ATOM 332 CG GLN A 22 -6.423 9.265 -7.954 1.00 0.00 C ATOM 333 CD GLN A 22 -7.021 10.664 -8.118 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.457 11.061 -9.186 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.018 11.387 -7.001 1.00 0.00 N ATOM 0 H GLN A 22 -8.889 8.393 -9.731 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.513 7.037 -9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.487 8.725 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.353 7.783 -6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.701 9.268 -7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.881 8.989 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.638 10.994 -6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.396 12.334 -7.006 1.00 0.00 H new ATOM 344 N ILE A 23 -9.267 5.575 -8.160 1.00 0.00 N ATOM 345 CA ILE A 23 -9.820 4.341 -7.631 1.00 0.00 C ATOM 346 C ILE A 23 -9.605 3.215 -8.645 1.00 0.00 C ATOM 347 O ILE A 23 -9.270 2.092 -8.269 1.00 0.00 O ATOM 348 CB ILE A 23 -11.284 4.537 -7.232 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.393 5.241 -5.877 1.00 0.00 C ATOM 350 CG2 ILE A 23 -12.040 3.208 -7.250 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.853 5.546 -5.533 1.00 0.00 C ATOM 0 H ILE A 23 -9.959 6.230 -8.524 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.301 4.052 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.756 5.185 -7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.956 4.613 -5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.819 6.168 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.078 3.376 -6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.005 2.783 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.576 2.516 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.902 6.046 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.279 6.194 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.419 4.615 -5.489 1.00 0.00 H new ATOM 363 N LYS A 24 -9.806 3.555 -9.910 1.00 0.00 N ATOM 364 CA LYS A 24 -9.639 2.586 -10.979 1.00 0.00 C ATOM 365 C LYS A 24 -8.147 2.316 -11.188 1.00 0.00 C ATOM 366 O LYS A 24 -7.775 1.371 -11.882 1.00 0.00 O ATOM 367 CB LYS A 24 -10.361 3.055 -12.245 1.00 0.00 C ATOM 368 CG LYS A 24 -9.740 2.428 -13.495 1.00 0.00 C ATOM 369 CD LYS A 24 -10.393 2.976 -14.765 1.00 0.00 C ATOM 370 CE LYS A 24 -9.344 3.260 -15.842 1.00 0.00 C ATOM 371 NZ LYS A 24 -9.572 4.591 -16.449 1.00 0.00 N ATOM 0 H LYS A 24 -10.083 4.487 -10.218 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.101 1.637 -10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.416 2.788 -12.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.310 4.142 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.669 2.632 -13.515 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.857 1.345 -13.460 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.122 2.258 -15.142 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.938 3.891 -14.532 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.346 3.219 -15.406 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.387 2.490 -16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.185 4.603 -17.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.593 4.787 -16.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.098 5.319 -15.877 1.00 0.00 H new ATOM 385 N ASN A 25 -7.333 3.161 -10.573 1.00 0.00 N ATOM 386 CA ASN A 25 -5.891 3.025 -10.682 1.00 0.00 C ATOM 387 C ASN A 25 -5.426 1.856 -9.810 1.00 0.00 C ATOM 388 O ASN A 25 -4.557 1.084 -10.212 1.00 0.00 O ATOM 389 CB ASN A 25 -5.180 4.289 -10.196 1.00 0.00 C ATOM 390 CG ASN A 25 -4.953 5.267 -11.350 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.446 6.383 -11.358 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.180 4.788 -12.320 1.00 0.00 N ATOM 0 H ASN A 25 -7.645 3.943 -9.997 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.647 2.855 -11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.775 4.769 -9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.223 4.023 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.967 5.364 -13.134 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.800 3.844 -12.250 1.00 0.00 H new ATOM 399 N LEU A 26 -6.026 1.764 -8.632 1.00 0.00 N ATOM 400 CA LEU A 26 -5.683 0.703 -7.699 1.00 0.00 C ATOM 401 C LEU A 26 -6.074 -0.647 -8.304 1.00 0.00 C ATOM 402 O LEU A 26 -5.306 -1.605 -8.241 1.00 0.00 O ATOM 403 CB LEU A 26 -6.314 0.969 -6.331 1.00 0.00 C ATOM 404 CG LEU A 26 -5.459 1.762 -5.341 1.00 0.00 C ATOM 405 CD1 LEU A 26 -6.108 1.793 -3.956 1.00 0.00 C ATOM 406 CD2 LEU A 26 -4.030 1.217 -5.291 1.00 0.00 C ATOM 0 H LEU A 26 -6.747 2.406 -8.302 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.607 0.678 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.250 1.506 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.566 0.011 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.400 2.792 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.479 2.363 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.089 2.263 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.219 0.775 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.443 1.799 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.049 0.173 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.578 1.291 -6.280 1.00 0.00 H new ATOM 418 N LEU A 27 -7.268 -0.679 -8.878 1.00 0.00 N ATOM 419 CA LEU A 27 -7.770 -1.896 -9.494 1.00 0.00 C ATOM 420 C LEU A 27 -6.721 -2.440 -10.466 1.00 0.00 C ATOM 421 O LEU A 27 -6.304 -3.591 -10.356 1.00 0.00 O ATOM 422 CB LEU A 27 -9.136 -1.648 -10.137 1.00 0.00 C ATOM 423 CG LEU A 27 -10.344 -1.737 -9.202 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.653 -1.687 -9.992 1.00 0.00 C ATOM 425 CD2 LEU A 27 -10.257 -2.978 -8.312 1.00 0.00 C ATOM 0 H LEU A 27 -7.902 0.118 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.935 -2.665 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.126 -0.658 -10.593 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.272 -2.369 -10.943 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.333 -0.868 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.496 -1.752 -9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.708 -0.750 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.689 -2.524 -10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.127 -3.018 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.231 -3.872 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.351 -2.930 -7.708 1.00 0.00 H new ATOM 437 N GLN A 28 -6.327 -1.584 -11.399 1.00 0.00 N ATOM 438 CA GLN A 28 -5.335 -1.965 -12.391 1.00 0.00 C ATOM 439 C GLN A 28 -4.068 -2.479 -11.706 1.00 0.00 C ATOM 440 O GLN A 28 -3.432 -3.413 -12.189 1.00 0.00 O ATOM 441 CB GLN A 28 -5.018 -0.794 -13.325 1.00 0.00 C ATOM 442 CG GLN A 28 -4.664 -1.292 -14.728 1.00 0.00 C ATOM 443 CD GLN A 28 -3.244 -0.874 -15.116 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.030 0.041 -15.895 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.290 -1.593 -14.532 1.00 0.00 N ATOM 0 H GLN A 28 -6.676 -0.630 -11.489 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.747 -2.771 -12.998 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.876 -0.124 -13.379 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.187 -0.216 -12.920 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.750 -2.378 -14.765 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.375 -0.891 -15.450 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.539 -2.345 -13.890 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.309 -1.392 -14.726 1.00 0.00 H new ATOM 454 N LEU A 29 -3.740 -1.846 -10.588 1.00 0.00 N ATOM 455 CA LEU A 29 -2.561 -2.227 -9.831 1.00 0.00 C ATOM 456 C LEU A 29 -2.778 -3.613 -9.220 1.00 0.00 C ATOM 457 O LEU A 29 -2.072 -4.563 -9.555 1.00 0.00 O ATOM 458 CB LEU A 29 -2.211 -1.150 -8.803 1.00 0.00 C ATOM 459 CG LEU A 29 -1.278 -1.581 -7.670 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.118 -1.908 -8.205 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.235 -0.525 -6.564 1.00 0.00 C ATOM 0 H LEU A 29 -4.271 -1.072 -10.189 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.695 -2.300 -10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.751 -0.312 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.138 -0.781 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.676 -2.494 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.762 -2.212 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.049 -2.720 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.539 -1.026 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.565 -0.856 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.873 0.418 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.236 -0.383 -6.157 1.00 0.00 H new ATOM 473 N GLU A 30 -3.759 -3.686 -8.332 1.00 0.00 N ATOM 474 CA GLU A 30 -4.079 -4.939 -7.670 1.00 0.00 C ATOM 475 C GLU A 30 -4.316 -6.040 -8.705 1.00 0.00 C ATOM 476 O GLU A 30 -4.161 -7.223 -8.406 1.00 0.00 O ATOM 477 CB GLU A 30 -5.293 -4.780 -6.752 1.00 0.00 C ATOM 478 CG GLU A 30 -5.209 -5.738 -5.562 1.00 0.00 C ATOM 479 CD GLU A 30 -6.341 -6.766 -5.606 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.493 -6.354 -5.350 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.028 -7.942 -5.895 1.00 0.00 O ATOM 0 H GLU A 30 -4.343 -2.897 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.230 -5.226 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.350 -3.752 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.207 -4.972 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.247 -6.250 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.262 -5.173 -4.631 1.00 0.00 H new ATOM 488 N ALA A 31 -4.687 -5.612 -9.904 1.00 0.00 N ATOM 489 CA ALA A 31 -4.948 -6.547 -10.984 1.00 0.00 C ATOM 490 C ALA A 31 -3.639 -7.229 -11.389 1.00 0.00 C ATOM 491 O ALA A 31 -3.615 -8.432 -11.644 1.00 0.00 O ATOM 492 CB ALA A 31 -5.604 -5.808 -12.152 1.00 0.00 C ATOM 0 H ALA A 31 -4.813 -4.630 -10.150 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.640 -7.324 -10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.800 -6.510 -12.963 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.543 -5.365 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.937 -5.022 -12.506 1.00 0.00 H new ATOM 498 N GLN A 32 -2.582 -6.431 -11.434 1.00 0.00 N ATOM 499 CA GLN A 32 -1.273 -6.943 -11.803 1.00 0.00 C ATOM 500 C GLN A 32 -0.895 -8.126 -10.910 1.00 0.00 C ATOM 501 O GLN A 32 -0.307 -7.943 -9.846 1.00 0.00 O ATOM 502 CB GLN A 32 -0.214 -5.841 -11.730 1.00 0.00 C ATOM 503 CG GLN A 32 -0.088 -5.113 -13.071 1.00 0.00 C ATOM 504 CD GLN A 32 0.606 -5.997 -14.111 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.257 -7.148 -14.316 1.00 0.00 O ATOM 506 NE2 GLN A 32 1.603 -5.395 -14.752 1.00 0.00 N ATOM 0 H GLN A 32 -2.605 -5.434 -11.221 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.318 -7.292 -12.835 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.478 -5.129 -10.949 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.748 -6.273 -11.455 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.078 -4.831 -13.430 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.477 -4.191 -12.937 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.842 -4.429 -14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.129 -5.900 -15.466 1.00 0.00 H new ATOM 584 N LEU A 37 -1.882 -7.150 -4.600 1.00 0.00 N ATOM 585 CA LEU A 37 -1.988 -6.527 -3.291 1.00 0.00 C ATOM 586 C LEU A 37 -3.407 -6.720 -2.754 1.00 0.00 C ATOM 587 O LEU A 37 -4.321 -7.050 -3.507 1.00 0.00 O ATOM 588 CB LEU A 37 -1.547 -5.064 -3.358 1.00 0.00 C ATOM 589 CG LEU A 37 -0.428 -4.744 -4.350 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.995 -4.161 -5.646 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.620 -3.825 -3.718 1.00 0.00 C ATOM 0 HA LEU A 37 -1.312 -7.006 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.415 -4.455 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.222 -4.758 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 37 0.076 -5.675 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.179 -3.942 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.672 -4.882 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.539 -3.243 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.404 -3.613 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.148 -2.892 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.055 -4.315 -2.847 1.00 0.00 H new ATOM 603 N ASP A 38 -3.547 -6.504 -1.454 1.00 0.00 N ATOM 604 CA ASP A 38 -4.839 -6.649 -0.806 1.00 0.00 C ATOM 605 C ASP A 38 -5.266 -5.302 -0.222 1.00 0.00 C ATOM 606 O ASP A 38 -4.493 -4.653 0.482 1.00 0.00 O ATOM 607 CB ASP A 38 -4.771 -7.661 0.340 1.00 0.00 C ATOM 608 CG ASP A 38 -5.081 -9.106 -0.054 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.207 -9.331 -0.550 1.00 0.00 O ATOM 610 OD2 ASP A 38 -4.186 -9.955 0.148 1.00 0.00 O ATOM 0 H ASP A 38 -2.786 -6.230 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.553 -6.997 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.773 -7.626 0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.471 -7.354 1.118 1.00 0.00 H new ATOM 615 N PHE A 39 -6.497 -4.921 -0.533 1.00 0.00 N ATOM 616 CA PHE A 39 -7.036 -3.661 -0.047 1.00 0.00 C ATOM 617 C PHE A 39 -7.893 -3.877 1.201 1.00 0.00 C ATOM 618 O PHE A 39 -8.779 -4.731 1.209 1.00 0.00 O ATOM 619 CB PHE A 39 -7.914 -3.091 -1.163 1.00 0.00 C ATOM 620 CG PHE A 39 -7.133 -2.630 -2.396 1.00 0.00 C ATOM 621 CD1 PHE A 39 -6.026 -1.853 -2.248 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.545 -2.997 -3.639 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.301 -1.425 -3.391 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.820 -2.569 -4.782 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.714 -1.792 -4.635 1.00 0.00 C ATOM 0 H PHE A 39 -7.136 -5.462 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.223 -2.985 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.636 -3.849 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.482 -2.248 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.699 -1.562 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.424 -3.614 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.422 -0.808 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.147 -2.861 -5.769 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.163 -1.466 -5.505 1.00 0.00 H new ATOM 635 N TRP A 40 -7.600 -3.090 2.225 1.00 0.00 N ATOM 636 CA TRP A 40 -8.334 -3.184 3.475 1.00 0.00 C ATOM 637 C TRP A 40 -9.744 -2.642 3.238 1.00 0.00 C ATOM 638 O TRP A 40 -10.720 -3.387 3.312 1.00 0.00 O ATOM 639 CB TRP A 40 -7.595 -2.456 4.600 1.00 0.00 C ATOM 640 CG TRP A 40 -6.498 -3.291 5.266 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.002 -4.470 4.867 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.780 -2.960 6.473 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.018 -4.920 5.724 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.880 -3.973 6.732 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.887 -1.841 7.318 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.017 -3.969 7.835 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.018 -1.853 8.416 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.106 -2.865 8.690 1.00 0.00 C ATOM 0 H TRP A 40 -6.864 -2.384 2.215 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.411 -4.222 3.800 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.151 -1.545 4.199 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.317 -2.152 5.358 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.331 -5.001 3.986 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.489 -5.788 5.634 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.584 -1.037 7.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.321 -4.774 8.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.060 -1.017 9.098 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.469 -2.800 9.559 1.00 0.00 H new ATOM 659 N LYS A 41 -9.807 -1.348 2.958 1.00 0.00 N ATOM 660 CA LYS A 41 -11.083 -0.697 2.709 1.00 0.00 C ATOM 661 C LYS A 41 -11.308 -0.587 1.200 1.00 0.00 C ATOM 662 O LYS A 41 -10.643 0.197 0.524 1.00 0.00 O ATOM 663 CB LYS A 41 -11.150 0.645 3.439 1.00 0.00 C ATOM 664 CG LYS A 41 -11.729 0.476 4.846 1.00 0.00 C ATOM 665 CD LYS A 41 -12.700 1.610 5.179 1.00 0.00 C ATOM 666 CE LYS A 41 -14.145 1.198 4.890 1.00 0.00 C ATOM 667 NZ LYS A 41 -15.033 1.605 6.002 1.00 0.00 N ATOM 0 H LYS A 41 -8.996 -0.733 2.898 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.901 -1.295 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.152 1.079 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.765 1.342 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.244 -0.482 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.920 0.459 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.599 1.883 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.446 2.494 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.482 1.658 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.200 0.119 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.010 1.318 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.721 1.146 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.993 2.638 6.118 1.00 0.00 H new ATOM 681 N SER A 42 -12.248 -1.385 0.715 1.00 0.00 N ATOM 682 CA SER A 42 -12.571 -1.387 -0.702 1.00 0.00 C ATOM 683 C SER A 42 -12.545 0.042 -1.247 1.00 0.00 C ATOM 684 O SER A 42 -13.465 0.821 -1.003 1.00 0.00 O ATOM 685 CB SER A 42 -13.937 -2.027 -0.955 1.00 0.00 C ATOM 686 OG SER A 42 -14.933 -1.528 -0.065 1.00 0.00 O ATOM 0 H SER A 42 -12.796 -2.035 1.278 1.00 0.00 H new ATOM 0 HA SER A 42 -11.820 -1.981 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.242 -1.836 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.858 -3.108 -0.841 1.00 0.00 H new ATOM 0 HG SER A 42 -14.849 -0.554 0.007 1.00 0.00 H new ATOM 692 N PRO A 43 -11.452 0.353 -1.994 1.00 0.00 N ATOM 693 CA PRO A 43 -11.292 1.674 -2.576 1.00 0.00 C ATOM 694 C PRO A 43 -12.213 1.856 -3.785 1.00 0.00 C ATOM 695 O PRO A 43 -12.214 2.911 -4.416 1.00 0.00 O ATOM 696 CB PRO A 43 -9.819 1.773 -2.932 1.00 0.00 C ATOM 697 CG PRO A 43 -9.300 0.345 -2.966 1.00 0.00 C ATOM 698 CD PRO A 43 -10.341 -0.543 -2.304 1.00 0.00 C ATOM 0 HA PRO A 43 -11.576 2.472 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.683 2.261 -3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.278 2.367 -2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.124 0.027 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.347 0.272 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.655 -1.348 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.946 -1.011 -1.402 1.00 0.00 H new ATOM 706 N THR A 44 -12.974 0.810 -4.071 1.00 0.00 N ATOM 707 CA THR A 44 -13.897 0.839 -5.192 1.00 0.00 C ATOM 708 C THR A 44 -14.617 2.188 -5.255 1.00 0.00 C ATOM 709 O THR A 44 -14.974 2.656 -6.335 1.00 0.00 O ATOM 710 CB THR A 44 -14.847 -0.352 -5.056 1.00 0.00 C ATOM 711 OG1 THR A 44 -14.036 -1.381 -4.496 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.280 -0.915 -6.411 1.00 0.00 C ATOM 0 H THR A 44 -12.970 -0.064 -3.545 1.00 0.00 H new ATOM 0 HA THR A 44 -13.369 0.743 -6.141 1.00 0.00 H new ATOM 0 HB THR A 44 -15.729 -0.049 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.574 -2.191 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.953 -1.758 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.794 -0.140 -6.980 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.402 -1.249 -6.964 1.00 0.00 H new ATOM 720 N THR A 45 -14.810 2.773 -4.082 1.00 0.00 N ATOM 721 CA THR A 45 -15.482 4.059 -3.988 1.00 0.00 C ATOM 722 C THR A 45 -14.629 5.049 -3.193 1.00 0.00 C ATOM 723 O THR A 45 -13.845 4.649 -2.333 1.00 0.00 O ATOM 724 CB THR A 45 -16.867 3.825 -3.384 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.613 3.639 -1.993 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.485 2.498 -3.830 1.00 0.00 C ATOM 0 H THR A 45 -14.513 2.381 -3.189 1.00 0.00 H new ATOM 0 HA THR A 45 -15.614 4.510 -4.971 1.00 0.00 H new ATOM 0 HB THR A 45 -17.528 4.645 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.459 3.483 -1.524 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.467 2.382 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.587 2.491 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.841 1.675 -3.521 1.00 0.00 H new ATOM 734 N PRO A 46 -14.817 6.357 -3.514 1.00 0.00 N ATOM 735 CA PRO A 46 -14.075 7.408 -2.839 1.00 0.00 C ATOM 736 C PRO A 46 -14.617 7.642 -1.428 1.00 0.00 C ATOM 737 O PRO A 46 -15.644 7.077 -1.051 1.00 0.00 O ATOM 738 CB PRO A 46 -14.212 8.626 -3.737 1.00 0.00 C ATOM 739 CG PRO A 46 -15.403 8.347 -4.640 1.00 0.00 C ATOM 740 CD PRO A 46 -15.737 6.869 -4.527 1.00 0.00 C ATOM 0 HA PRO A 46 -13.025 7.154 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.372 9.529 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.306 8.783 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.258 8.955 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.169 8.608 -5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.775 6.719 -4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.601 6.358 -5.480 1.00 0.00 H new ATOM 748 N GLY A 47 -13.905 8.477 -0.685 1.00 0.00 N ATOM 749 CA GLY A 47 -14.303 8.792 0.677 1.00 0.00 C ATOM 750 C GLY A 47 -13.753 7.759 1.661 1.00 0.00 C ATOM 751 O GLY A 47 -13.253 8.116 2.727 1.00 0.00 O ATOM 0 H GLY A 47 -13.055 8.945 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.940 9.784 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.391 8.821 0.744 1.00 0.00 H new ATOM 755 N GLU A 48 -13.865 6.498 1.271 1.00 0.00 N ATOM 756 CA GLU A 48 -13.385 5.410 2.106 1.00 0.00 C ATOM 757 C GLU A 48 -11.911 5.126 1.813 1.00 0.00 C ATOM 758 O GLU A 48 -11.586 4.473 0.823 1.00 0.00 O ATOM 759 CB GLU A 48 -14.235 4.153 1.911 1.00 0.00 C ATOM 760 CG GLU A 48 -15.695 4.516 1.628 1.00 0.00 C ATOM 761 CD GLU A 48 -16.245 5.452 2.705 1.00 0.00 C ATOM 762 OE1 GLU A 48 -15.979 6.668 2.590 1.00 0.00 O ATOM 763 OE2 GLU A 48 -16.920 4.930 3.620 1.00 0.00 O ATOM 0 H GLU A 48 -14.281 6.205 0.387 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.476 5.712 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.836 3.565 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.178 3.529 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.772 4.994 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.298 3.609 1.587 1.00 0.00 H new ATOM 770 N THR A 49 -11.058 5.630 2.693 1.00 0.00 N ATOM 771 CA THR A 49 -9.626 5.439 2.541 1.00 0.00 C ATOM 772 C THR A 49 -9.306 3.958 2.324 1.00 0.00 C ATOM 773 O THR A 49 -10.128 3.093 2.619 1.00 0.00 O ATOM 774 CB THR A 49 -8.937 6.036 3.770 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.470 5.294 4.863 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.376 7.475 4.047 1.00 0.00 C ATOM 0 H THR A 49 -11.331 6.170 3.514 1.00 0.00 H new ATOM 0 HA THR A 49 -9.249 5.954 1.657 1.00 0.00 H new ATOM 0 HB THR A 49 -7.857 6.007 3.629 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.871 4.548 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.857 7.850 4.929 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.132 8.101 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.452 7.500 4.221 1.00 0.00 H new ATOM 784 N ALA A 50 -8.108 3.714 1.810 1.00 0.00 N ATOM 785 CA ALA A 50 -7.669 2.355 1.551 1.00 0.00 C ATOM 786 C ALA A 50 -6.429 2.053 2.395 1.00 0.00 C ATOM 787 O ALA A 50 -5.712 2.968 2.799 1.00 0.00 O ATOM 788 CB ALA A 50 -7.413 2.178 0.053 1.00 0.00 C ATOM 0 H ALA A 50 -7.429 4.435 1.567 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.442 1.641 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.083 1.157 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.332 2.374 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.641 2.876 -0.269 1.00 0.00 H new ATOM 794 N HIS A 51 -6.214 0.768 2.634 1.00 0.00 N ATOM 795 CA HIS A 51 -5.072 0.336 3.423 1.00 0.00 C ATOM 796 C HIS A 51 -4.627 -1.053 2.960 1.00 0.00 C ATOM 797 O HIS A 51 -5.169 -2.064 3.403 1.00 0.00 O ATOM 798 CB HIS A 51 -5.392 0.387 4.917 1.00 0.00 C ATOM 799 CG HIS A 51 -6.429 1.421 5.287 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.686 1.088 5.760 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.380 2.784 5.251 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.356 2.206 5.993 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.546 3.257 5.676 1.00 0.00 N ATOM 0 H HIS A 51 -6.810 0.012 2.296 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.238 1.020 3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.742 -0.594 5.237 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.475 0.594 5.468 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.037 0.141 5.905 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.536 3.378 4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.366 2.274 6.368 1.00 0.00 H new ATOM 812 N VAL A 52 -3.641 -1.058 2.074 1.00 0.00 N ATOM 813 CA VAL A 52 -3.116 -2.305 1.546 1.00 0.00 C ATOM 814 C VAL A 52 -1.721 -2.553 2.126 1.00 0.00 C ATOM 815 O VAL A 52 -0.949 -1.614 2.316 1.00 0.00 O ATOM 816 CB VAL A 52 -3.130 -2.275 0.016 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.965 -0.845 -0.504 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.054 -3.196 -0.561 1.00 0.00 C ATOM 0 H VAL A 52 -3.192 -0.218 1.709 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.747 -3.141 1.847 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.100 -2.644 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.978 -0.850 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.783 -0.227 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.016 -0.438 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.086 -3.156 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.073 -2.871 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.235 -4.219 -0.230 1.00 0.00 H new ATOM 828 N ARG A 53 -1.441 -3.821 2.390 1.00 0.00 N ATOM 829 CA ARG A 53 -0.154 -4.202 2.944 1.00 0.00 C ATOM 830 C ARG A 53 0.886 -4.335 1.829 1.00 0.00 C ATOM 831 O ARG A 53 1.145 -5.436 1.344 1.00 0.00 O ATOM 832 CB ARG A 53 -0.251 -5.529 3.701 1.00 0.00 C ATOM 833 CG ARG A 53 -1.110 -5.381 4.957 1.00 0.00 C ATOM 834 CD ARG A 53 -0.657 -6.353 6.049 1.00 0.00 C ATOM 835 NE ARG A 53 -1.063 -7.732 5.698 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.007 -8.770 6.544 1.00 0.00 C ATOM 837 NH1 ARG A 53 -0.561 -8.591 7.795 1.00 0.00 N ATOM 838 NH2 ARG A 53 -1.395 -9.987 6.139 1.00 0.00 N ATOM 0 H ARG A 53 -2.084 -4.597 2.230 1.00 0.00 H new ATOM 0 HA ARG A 53 0.151 -3.421 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.679 -6.292 3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.747 -5.868 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.046 -4.358 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.155 -5.567 4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.425 -6.302 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.095 -6.068 7.006 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.407 -7.903 4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.264 -7.665 8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.518 -9.381 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.733 -10.124 5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.352 -10.777 6.783 1.00 0.00 H new ATOM 852 N VAL A 54 1.453 -3.198 1.454 1.00 0.00 N ATOM 853 CA VAL A 54 2.459 -3.172 0.406 1.00 0.00 C ATOM 854 C VAL A 54 3.785 -3.690 0.965 1.00 0.00 C ATOM 855 O VAL A 54 4.138 -3.400 2.106 1.00 0.00 O ATOM 856 CB VAL A 54 2.567 -1.763 -0.182 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.031 -0.762 0.877 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.496 -1.746 -1.398 1.00 0.00 C ATOM 0 H VAL A 54 1.235 -2.287 1.858 1.00 0.00 H new ATOM 0 HA VAL A 54 2.173 -3.830 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 54 1.574 -1.462 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.100 0.231 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.315 -0.744 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.009 -1.059 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.555 -0.733 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.491 -2.078 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.105 -2.415 -2.164 1.00 0.00 H new ATOM 868 N PRO A 55 4.504 -4.469 0.111 1.00 0.00 N ATOM 869 CA PRO A 55 5.784 -5.030 0.508 1.00 0.00 C ATOM 870 C PRO A 55 6.877 -3.959 0.506 1.00 0.00 C ATOM 871 O PRO A 55 7.119 -3.317 -0.516 1.00 0.00 O ATOM 872 CB PRO A 55 6.048 -6.150 -0.486 1.00 0.00 C ATOM 873 CG PRO A 55 5.141 -5.875 -1.674 1.00 0.00 C ATOM 874 CD PRO A 55 4.118 -4.834 -1.249 1.00 0.00 C ATOM 0 HA PRO A 55 5.776 -5.414 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.095 -6.165 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.830 -7.123 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.722 -5.514 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.644 -6.790 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.135 -3.968 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.106 -5.238 -1.279 1.00 0.00 H new ATOM 882 N PHE A 56 7.505 -3.799 1.660 1.00 0.00 N ATOM 883 CA PHE A 56 8.567 -2.816 1.804 1.00 0.00 C ATOM 884 C PHE A 56 9.437 -2.762 0.547 1.00 0.00 C ATOM 885 O PHE A 56 9.950 -1.702 0.189 1.00 0.00 O ATOM 886 CB PHE A 56 9.429 -3.259 2.988 1.00 0.00 C ATOM 887 CG PHE A 56 10.127 -2.108 3.715 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.450 -0.957 3.973 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.424 -2.235 4.102 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.097 0.112 4.647 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.072 -1.167 4.777 1.00 0.00 C ATOM 892 CZ PHE A 56 11.395 -0.016 5.035 1.00 0.00 C ATOM 0 H PHE A 56 7.300 -4.333 2.505 1.00 0.00 H new ATOM 0 HA PHE A 56 8.139 -1.826 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.802 -3.797 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.183 -3.961 2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.420 -0.856 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.962 -3.149 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.559 1.026 4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.102 -1.269 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.888 0.797 5.548 1.00 0.00 H new ATOM 902 N VAL A 57 9.577 -3.917 -0.087 1.00 0.00 N ATOM 903 CA VAL A 57 10.377 -4.013 -1.297 1.00 0.00 C ATOM 904 C VAL A 57 9.668 -3.272 -2.433 1.00 0.00 C ATOM 905 O VAL A 57 10.269 -2.433 -3.101 1.00 0.00 O ATOM 906 CB VAL A 57 10.656 -5.481 -1.624 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.575 -6.054 -2.543 1.00 0.00 C ATOM 908 CG2 VAL A 57 12.047 -5.651 -2.239 1.00 0.00 C ATOM 0 H VAL A 57 9.151 -4.793 0.214 1.00 0.00 H new ATOM 0 HA VAL A 57 11.346 -3.536 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 57 10.632 -6.042 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.798 -7.099 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.605 -5.984 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.551 -5.488 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.220 -6.704 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.112 -5.070 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.802 -5.301 -1.535 1.00 0.00 H new ATOM 918 N ASN A 58 8.400 -3.610 -2.616 1.00 0.00 N ATOM 919 CA ASN A 58 7.603 -2.988 -3.659 1.00 0.00 C ATOM 920 C ASN A 58 6.923 -1.738 -3.098 1.00 0.00 C ATOM 921 O ASN A 58 5.998 -1.204 -3.707 1.00 0.00 O ATOM 922 CB ASN A 58 6.511 -3.937 -4.158 1.00 0.00 C ATOM 923 CG ASN A 58 6.161 -3.650 -5.619 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.076 -2.899 -5.780 1.00 0.00 O flip ATOM 925 ND2 ASN A 58 6.833 -4.083 -6.542 1.00 0.00 N flip ATOM 0 H ASN A 58 7.905 -4.307 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 58 8.267 -2.736 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.847 -4.969 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.620 -3.830 -3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.656 -4.655 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.572 -3.873 -7.505 1.00 0.00 H new ATOM 932 N VAL A 59 7.409 -1.306 -1.944 1.00 0.00 N ATOM 933 CA VAL A 59 6.860 -0.128 -1.293 1.00 0.00 C ATOM 934 C VAL A 59 6.970 1.069 -2.240 1.00 0.00 C ATOM 935 O VAL A 59 5.983 1.758 -2.491 1.00 0.00 O ATOM 936 CB VAL A 59 7.560 0.103 0.048 1.00 0.00 C ATOM 937 CG1 VAL A 59 8.725 1.083 -0.104 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.568 0.589 1.107 1.00 0.00 C ATOM 0 H VAL A 59 8.178 -1.751 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 59 5.802 -0.271 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 59 7.967 -0.851 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.205 1.230 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.450 0.680 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.351 2.038 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.091 0.746 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.118 1.527 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.787 -0.159 1.245 1.00 0.00 H new ATOM 948 N GLN A 60 8.179 1.278 -2.739 1.00 0.00 N ATOM 949 CA GLN A 60 8.431 2.381 -3.651 1.00 0.00 C ATOM 950 C GLN A 60 7.546 2.253 -4.893 1.00 0.00 C ATOM 951 O GLN A 60 6.835 3.192 -5.253 1.00 0.00 O ATOM 952 CB GLN A 60 9.909 2.447 -4.037 1.00 0.00 C ATOM 953 CG GLN A 60 10.335 3.887 -4.331 1.00 0.00 C ATOM 954 CD GLN A 60 11.681 4.206 -3.677 1.00 0.00 C ATOM 955 OE1 GLN A 60 12.446 3.329 -3.310 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.927 5.507 -3.552 1.00 0.00 N ATOM 0 H GLN A 60 8.995 0.703 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 60 8.181 3.312 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.518 2.042 -3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.088 1.825 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.406 4.036 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.575 4.577 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.243 6.189 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.799 5.823 -3.128 1.00 0.00 H new ATOM 965 N ALA A 61 7.619 1.086 -5.515 1.00 0.00 N ATOM 966 CA ALA A 61 6.833 0.824 -6.709 1.00 0.00 C ATOM 967 C ALA A 61 5.412 1.354 -6.506 1.00 0.00 C ATOM 968 O ALA A 61 4.859 2.010 -7.388 1.00 0.00 O ATOM 969 CB ALA A 61 6.858 -0.674 -7.019 1.00 0.00 C ATOM 0 H ALA A 61 8.210 0.311 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 61 7.258 1.342 -7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.268 -0.870 -7.915 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.887 -0.994 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.437 -1.226 -6.179 1.00 0.00 H new ATOM 975 N VAL A 62 4.862 1.050 -5.340 1.00 0.00 N ATOM 976 CA VAL A 62 3.517 1.487 -5.010 1.00 0.00 C ATOM 977 C VAL A 62 3.519 2.998 -4.776 1.00 0.00 C ATOM 978 O VAL A 62 2.673 3.715 -5.308 1.00 0.00 O ATOM 979 CB VAL A 62 2.989 0.697 -3.811 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.624 1.224 -3.364 1.00 0.00 C ATOM 981 CG2 VAL A 62 2.923 -0.799 -4.125 1.00 0.00 C ATOM 0 H VAL A 62 5.324 0.506 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 62 2.837 1.287 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 62 3.688 0.835 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.272 0.645 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.714 2.272 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.912 1.131 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.544 -1.337 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.257 -0.964 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.920 -1.163 -4.371 1.00 0.00 H new ATOM 991 N LYS A 63 4.481 3.440 -3.978 1.00 0.00 N ATOM 992 CA LYS A 63 4.604 4.854 -3.667 1.00 0.00 C ATOM 993 C LYS A 63 4.701 5.652 -4.969 1.00 0.00 C ATOM 994 O LYS A 63 4.233 6.787 -5.041 1.00 0.00 O ATOM 995 CB LYS A 63 5.777 5.091 -2.712 1.00 0.00 C ATOM 996 CG LYS A 63 6.400 6.470 -2.942 1.00 0.00 C ATOM 997 CD LYS A 63 7.318 6.857 -1.781 1.00 0.00 C ATOM 998 CE LYS A 63 6.576 7.721 -0.760 1.00 0.00 C ATOM 999 NZ LYS A 63 7.342 8.955 -0.472 1.00 0.00 N ATOM 0 H LYS A 63 5.182 2.844 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 63 3.717 5.208 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.433 5.010 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.532 4.318 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.967 6.466 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.612 7.215 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.695 5.957 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.183 7.400 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.589 7.980 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.424 7.157 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.825 9.530 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.275 8.703 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.465 9.500 -1.349 1.00 0.00 H new ATOM 1013 N VAL A 64 5.309 5.026 -5.965 1.00 0.00 N ATOM 1014 CA VAL A 64 5.471 5.663 -7.261 1.00 0.00 C ATOM 1015 C VAL A 64 4.130 5.665 -7.996 1.00 0.00 C ATOM 1016 O VAL A 64 3.758 6.661 -8.614 1.00 0.00 O ATOM 1017 CB VAL A 64 6.584 4.969 -8.050 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.431 5.220 -9.552 1.00 0.00 C ATOM 1019 CG2 VAL A 64 7.963 5.413 -7.557 1.00 0.00 C ATOM 0 H VAL A 64 5.696 4.084 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 64 5.776 6.702 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 64 6.496 3.896 -7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.235 4.716 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.470 4.832 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.479 6.291 -9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.736 4.906 -8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.065 6.491 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.071 5.159 -6.503 1.00 0.00 H new ATOM 1029 N PHE A 65 3.440 4.537 -7.905 1.00 0.00 N ATOM 1030 CA PHE A 65 2.147 4.396 -8.554 1.00 0.00 C ATOM 1031 C PHE A 65 1.185 5.497 -8.103 1.00 0.00 C ATOM 1032 O PHE A 65 0.498 6.100 -8.925 1.00 0.00 O ATOM 1033 CB PHE A 65 1.584 3.037 -8.134 1.00 0.00 C ATOM 1034 CG PHE A 65 0.403 2.565 -8.985 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.596 2.231 -10.290 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.840 2.478 -8.438 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.501 1.792 -11.080 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.935 2.038 -9.228 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.742 1.706 -10.532 1.00 0.00 C ATOM 0 H PHE A 65 3.752 3.713 -7.392 1.00 0.00 H new ATOM 0 HA PHE A 65 2.261 4.472 -9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.379 2.293 -8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.269 3.091 -7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.582 2.299 -10.725 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.994 2.744 -7.403 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.349 1.527 -12.116 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.921 1.967 -8.793 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.575 1.374 -11.133 1.00 0.00 H new ATOM 1049 N LEU A 66 1.166 5.724 -6.797 1.00 0.00 N ATOM 1050 CA LEU A 66 0.299 6.741 -6.227 1.00 0.00 C ATOM 1051 C LEU A 66 0.637 8.099 -6.846 1.00 0.00 C ATOM 1052 O LEU A 66 -0.201 8.710 -7.506 1.00 0.00 O ATOM 1053 CB LEU A 66 0.383 6.723 -4.700 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.114 5.448 -4.016 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.190 5.476 -2.517 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.601 5.220 -4.295 1.00 0.00 C ATOM 0 H LEU A 66 1.737 5.221 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.743 6.531 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.421 6.885 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.191 7.566 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 66 0.426 4.601 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.174 4.558 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.266 5.557 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.306 6.333 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.929 4.307 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.176 6.066 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.759 5.124 -5.369 1.00 0.00 H new ATOM 1068 N GLU A 67 1.868 8.530 -6.610 1.00 0.00 N ATOM 1069 CA GLU A 67 2.327 9.804 -7.137 1.00 0.00 C ATOM 1070 C GLU A 67 2.070 9.880 -8.643 1.00 0.00 C ATOM 1071 O GLU A 67 1.782 10.952 -9.173 1.00 0.00 O ATOM 1072 CB GLU A 67 3.808 10.026 -6.821 1.00 0.00 C ATOM 1073 CG GLU A 67 3.982 10.751 -5.485 1.00 0.00 C ATOM 1074 CD GLU A 67 4.590 12.140 -5.690 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.907 12.970 -6.329 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.724 12.341 -5.204 1.00 0.00 O ATOM 0 H GLU A 67 2.561 8.020 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 67 1.762 10.600 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.324 9.066 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.270 10.609 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.016 10.843 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.623 10.163 -4.829 1.00 0.00 H new ATOM 1083 N SER A 68 2.185 8.730 -9.289 1.00 0.00 N ATOM 1084 CA SER A 68 1.969 8.653 -10.724 1.00 0.00 C ATOM 1085 C SER A 68 0.484 8.842 -11.040 1.00 0.00 C ATOM 1086 O SER A 68 0.132 9.552 -11.981 1.00 0.00 O ATOM 1087 CB SER A 68 2.466 7.319 -11.285 1.00 0.00 C ATOM 1088 OG SER A 68 1.450 6.320 -11.263 1.00 0.00 O ATOM 0 H SER A 68 2.425 7.843 -8.846 1.00 0.00 H new ATOM 0 HA SER A 68 2.540 9.451 -11.199 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.812 7.462 -12.309 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.323 6.978 -10.704 1.00 0.00 H new ATOM 0 HG SER A 68 1.089 6.241 -10.356 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.347 8.194 -10.237 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.785 8.282 -10.419 1.00 0.00 C ATOM 1096 C GLN A 69 -2.320 9.577 -9.805 1.00 0.00 C ATOM 1097 O GLN A 69 -3.532 9.763 -9.698 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.489 7.061 -9.824 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.923 7.328 -8.381 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.187 6.017 -7.636 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.244 5.798 -7.067 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.170 5.161 -7.671 1.00 0.00 N ATOM 0 H GLN A 69 -0.051 7.605 -9.458 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.996 8.296 -11.488 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.360 6.808 -10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.820 6.201 -9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.149 7.895 -7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.824 7.941 -8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.313 5.408 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.247 4.258 -7.203 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.391 10.438 -9.417 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.755 11.710 -8.817 1.00 0.00 C ATOM 1113 C GLY A 70 -2.758 11.513 -7.679 1.00 0.00 C ATOM 1114 O GLY A 70 -3.819 12.135 -7.667 1.00 0.00 O ATOM 0 H GLY A 70 -0.387 10.280 -9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.862 12.206 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.184 12.364 -9.576 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.387 10.645 -6.749 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.242 10.358 -5.610 1.00 0.00 C ATOM 1120 C ILE A 71 -2.578 10.883 -4.335 1.00 0.00 C ATOM 1121 O ILE A 71 -1.436 11.338 -4.368 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.581 8.867 -5.557 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.732 8.601 -4.584 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.343 8.034 -5.222 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.482 7.321 -4.958 1.00 0.00 C ATOM 0 H ILE A 71 -1.506 10.131 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.196 10.875 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.918 8.558 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.343 8.515 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.421 9.446 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.612 6.978 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.581 8.192 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.952 8.338 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.295 7.156 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.891 7.419 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.796 6.475 -4.927 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.324 10.803 -3.242 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.821 11.265 -1.960 1.00 0.00 C ATOM 1139 C ALA A 72 -2.934 10.133 -0.936 1.00 0.00 C ATOM 1140 O ALA A 72 -4.030 9.650 -0.656 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.590 12.515 -1.531 1.00 0.00 C ATOM 0 H ALA A 72 -4.271 10.426 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.769 11.539 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.213 12.862 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.456 13.298 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.650 12.277 -1.441 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.784 9.742 -0.406 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.739 8.675 0.581 1.00 0.00 C ATOM 1149 C TYR A 73 -0.890 9.080 1.787 1.00 0.00 C ATOM 1150 O TYR A 73 -0.530 10.248 1.935 1.00 0.00 O ATOM 1151 CB TYR A 73 -1.078 7.484 -0.116 1.00 0.00 C ATOM 1152 CG TYR A 73 0.157 7.852 -0.941 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.013 8.519 -2.140 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.416 7.517 -0.484 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.175 8.865 -2.916 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.579 7.864 -1.260 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.400 8.521 -2.438 1.00 0.00 C ATOM 1158 OH TYR A 73 3.499 8.847 -3.171 1.00 0.00 O ATOM 0 H TYR A 73 -0.877 10.144 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.741 8.444 0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.794 6.748 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.809 7.007 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.972 8.782 -2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.529 6.995 0.455 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.076 9.386 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.570 7.609 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 73 3.699 8.123 -3.801 1.00 0.00 H new ATOM 1168 N SER A 74 -0.593 8.093 2.620 1.00 0.00 N ATOM 1169 CA SER A 74 0.207 8.333 3.809 1.00 0.00 C ATOM 1170 C SER A 74 0.718 7.004 4.372 1.00 0.00 C ATOM 1171 O SER A 74 0.325 5.937 3.904 1.00 0.00 O ATOM 1172 CB SER A 74 -0.596 9.085 4.872 1.00 0.00 C ATOM 1173 OG SER A 74 -0.462 10.498 4.741 1.00 0.00 O ATOM 0 H SER A 74 -0.892 7.126 2.495 1.00 0.00 H new ATOM 0 HA SER A 74 1.058 8.954 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.648 8.812 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.261 8.779 5.863 1.00 0.00 H new ATOM 0 HG SER A 74 -0.452 10.739 3.791 1.00 0.00 H new ATOM 1179 N ILE A 75 1.585 7.114 5.367 1.00 0.00 N ATOM 1180 CA ILE A 75 2.154 5.936 5.998 1.00 0.00 C ATOM 1181 C ILE A 75 1.401 5.646 7.299 1.00 0.00 C ATOM 1182 O ILE A 75 1.268 6.522 8.152 1.00 0.00 O ATOM 1183 CB ILE A 75 3.663 6.103 6.186 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.377 6.186 4.835 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.233 4.990 7.068 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.605 7.095 4.920 1.00 0.00 C ATOM 0 H ILE A 75 1.908 8.002 5.752 1.00 0.00 H new ATOM 0 HA ILE A 75 2.031 5.064 5.356 1.00 0.00 H new ATOM 0 HB ILE A 75 3.841 7.046 6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.680 5.188 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.690 6.566 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.307 5.133 7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.754 5.020 8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.044 4.023 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.095 7.137 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.296 8.098 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.301 6.698 5.659 1.00 0.00 H new ATOM 1198 N MET A 76 0.928 4.413 7.409 1.00 0.00 N ATOM 1199 CA MET A 76 0.193 3.997 8.591 1.00 0.00 C ATOM 1200 C MET A 76 1.099 3.237 9.562 1.00 0.00 C ATOM 1201 O MET A 76 1.166 3.572 10.744 1.00 0.00 O ATOM 1202 CB MET A 76 -0.975 3.099 8.176 1.00 0.00 C ATOM 1203 CG MET A 76 -2.126 3.197 9.180 1.00 0.00 C ATOM 1204 SD MET A 76 -2.891 4.806 9.076 1.00 0.00 S ATOM 1205 CE MET A 76 -3.616 4.910 10.704 1.00 0.00 C ATOM 0 H MET A 76 1.040 3.689 6.699 1.00 0.00 H new ATOM 0 HA MET A 76 -0.182 4.888 9.094 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.326 3.388 7.185 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.636 2.065 8.105 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.864 2.421 8.977 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.754 3.027 10.190 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.137 5.861 10.810 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.323 4.092 10.840 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.831 4.841 11.457 1.00 0.00 H new ATOM 1215 N ILE A 77 1.774 2.230 9.028 1.00 0.00 N ATOM 1216 CA ILE A 77 2.673 1.421 9.833 1.00 0.00 C ATOM 1217 C ILE A 77 3.893 1.035 8.993 1.00 0.00 C ATOM 1218 O ILE A 77 3.757 0.642 7.836 1.00 0.00 O ATOM 1219 CB ILE A 77 1.930 0.222 10.424 1.00 0.00 C ATOM 1220 CG1 ILE A 77 2.784 -0.487 11.478 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.467 -0.734 9.323 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.340 0.512 12.495 1.00 0.00 C ATOM 0 H ILE A 77 1.716 1.956 8.047 1.00 0.00 H new ATOM 0 HA ILE A 77 3.039 1.992 10.686 1.00 0.00 H new ATOM 0 HB ILE A 77 1.036 0.589 10.928 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.185 -1.239 11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.606 -1.012 10.992 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.942 -1.578 9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.796 -0.208 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.333 -1.098 8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.943 -0.017 13.233 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.959 1.248 11.981 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.515 1.018 12.996 1.00 0.00 H new ATOM 1234 N GLU A 78 5.060 1.162 9.610 1.00 0.00 N ATOM 1235 CA GLU A 78 6.303 0.832 8.936 1.00 0.00 C ATOM 1236 C GLU A 78 7.073 -0.226 9.729 1.00 0.00 C ATOM 1237 O GLU A 78 6.473 -1.115 10.330 1.00 0.00 O ATOM 1238 CB GLU A 78 7.156 2.082 8.715 1.00 0.00 C ATOM 1239 CG GLU A 78 8.017 1.945 7.458 1.00 0.00 C ATOM 1240 CD GLU A 78 7.780 3.113 6.501 1.00 0.00 C ATOM 1241 OE1 GLU A 78 6.728 3.091 5.827 1.00 0.00 O ATOM 1242 OE2 GLU A 78 8.657 4.003 6.464 1.00 0.00 O ATOM 0 H GLU A 78 5.169 1.489 10.570 1.00 0.00 H new ATOM 0 HA GLU A 78 6.063 0.419 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.510 2.955 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.796 2.248 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.070 1.907 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.786 1.006 6.955 1.00 0.00 H new