USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=9 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 97:sc= 1.31 USER MOD Set 1.2: A 51 HIS : no HE2:sc= -3.94! C(o=-2.6!,f=-6.7!) USER MOD Set 2.1: A 25 ASN : amide:sc= -5.29! C(o=-10!,f=-15!) USER MOD Set 2.2: A 69 GLN : amide:sc= -5.09! C(o=-10!,f=-10!) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.156 K(o=-1,f=-1.8) USER MOD Set 3.2: A 22 GLN : amide:sc= -0.846 K(o=-1,f=-1.7) USER MOD Single : A 11 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.293 K(o=-0.29,f=-0.94) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 46:sc= 0.233 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.83 K(o=-3.8,f=-1.4) USER MOD Single : A 60 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.44) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -13:sc= -1.46 USER MOD Single : A 73 TYR OH : rot -73:sc= 0.826 USER MOD Single : A 74 SER OG : rot 39:sc= 0.793 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.917 -6.133 5.340 1.00 0.00 N ATOM 145 CA ASP A 10 5.830 -5.468 4.639 1.00 0.00 C ATOM 146 C ASP A 10 5.515 -4.144 5.336 1.00 0.00 C ATOM 147 O ASP A 10 6.142 -3.801 6.338 1.00 0.00 O ATOM 148 CB ASP A 10 4.562 -6.323 4.652 1.00 0.00 C ATOM 149 CG ASP A 10 4.408 -7.233 5.873 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.727 -6.753 6.982 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.974 -8.388 5.670 1.00 0.00 O ATOM 0 HA ASP A 10 6.143 -5.304 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.696 -5.663 4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.549 -6.940 3.754 1.00 0.00 H new ATOM 156 N GLN A 11 4.544 -3.435 4.779 1.00 0.00 N ATOM 157 CA GLN A 11 4.137 -2.156 5.335 1.00 0.00 C ATOM 158 C GLN A 11 2.826 -1.692 4.699 1.00 0.00 C ATOM 159 O GLN A 11 2.649 -1.798 3.485 1.00 0.00 O ATOM 160 CB GLN A 11 5.236 -1.106 5.155 1.00 0.00 C ATOM 161 CG GLN A 11 5.002 0.096 6.071 1.00 0.00 C ATOM 162 CD GLN A 11 5.811 1.307 5.605 1.00 0.00 C ATOM 163 OE1 GLN A 11 5.356 2.126 4.823 1.00 0.00 O ATOM 164 NE2 GLN A 11 7.033 1.376 6.127 1.00 0.00 N ATOM 0 H GLN A 11 4.027 -3.722 3.948 1.00 0.00 H new ATOM 0 HA GLN A 11 3.972 -2.283 6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.207 -1.550 5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.262 -0.776 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.941 0.346 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.282 -0.161 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.352 0.657 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.651 2.148 5.878 1.00 0.00 H new ATOM 173 N VAL A 12 1.940 -1.189 5.544 1.00 0.00 N ATOM 174 CA VAL A 12 0.650 -0.709 5.079 1.00 0.00 C ATOM 175 C VAL A 12 0.746 0.787 4.774 1.00 0.00 C ATOM 176 O VAL A 12 1.723 1.438 5.143 1.00 0.00 O ATOM 177 CB VAL A 12 -0.434 -1.040 6.107 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.783 -1.277 5.425 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.031 -2.246 6.959 1.00 0.00 C ATOM 0 H VAL A 12 2.090 -1.103 6.549 1.00 0.00 H new ATOM 0 HA VAL A 12 0.367 -1.212 4.154 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.540 -0.181 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.536 -1.510 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.079 -0.379 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.697 -2.111 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.818 -2.460 7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.117 -3.113 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.896 -2.024 7.488 1.00 0.00 H new ATOM 189 N LEU A 13 -0.280 1.289 4.103 1.00 0.00 N ATOM 190 CA LEU A 13 -0.323 2.696 3.745 1.00 0.00 C ATOM 191 C LEU A 13 -1.780 3.136 3.594 1.00 0.00 C ATOM 192 O LEU A 13 -2.619 2.369 3.122 1.00 0.00 O ATOM 193 CB LEU A 13 0.530 2.958 2.501 1.00 0.00 C ATOM 194 CG LEU A 13 -0.178 2.794 1.156 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.468 4.154 0.518 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.621 1.882 0.222 1.00 0.00 C ATOM 0 H LEU A 13 -1.088 0.746 3.798 1.00 0.00 H new ATOM 0 HA LEU A 13 0.113 3.304 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.922 3.973 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.386 2.284 2.523 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.139 2.311 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.972 4.008 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.108 4.737 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.469 4.687 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.095 1.783 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.606 2.314 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.732 0.899 0.680 1.00 0.00 H new ATOM 208 N GLU A 14 -2.039 4.370 4.005 1.00 0.00 N ATOM 209 CA GLU A 14 -3.381 4.921 3.921 1.00 0.00 C ATOM 210 C GLU A 14 -3.520 5.793 2.673 1.00 0.00 C ATOM 211 O GLU A 14 -2.767 6.748 2.491 1.00 0.00 O ATOM 212 CB GLU A 14 -3.728 5.710 5.184 1.00 0.00 C ATOM 213 CG GLU A 14 -2.519 6.505 5.684 1.00 0.00 C ATOM 214 CD GLU A 14 -2.962 7.760 6.439 1.00 0.00 C ATOM 215 OE1 GLU A 14 -3.627 8.602 5.800 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.624 7.847 7.640 1.00 0.00 O ATOM 0 H GLU A 14 -1.342 5.003 4.397 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.088 4.095 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.554 6.390 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.066 5.026 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.912 5.878 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.890 6.787 4.839 1.00 0.00 H new ATOM 223 N ILE A 15 -4.489 5.434 1.844 1.00 0.00 N ATOM 224 CA ILE A 15 -4.737 6.173 0.618 1.00 0.00 C ATOM 225 C ILE A 15 -6.085 6.888 0.721 1.00 0.00 C ATOM 226 O ILE A 15 -7.038 6.347 1.283 1.00 0.00 O ATOM 227 CB ILE A 15 -4.623 5.249 -0.597 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.326 4.439 -0.550 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.759 6.037 -1.901 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.525 3.049 -1.158 1.00 0.00 C ATOM 0 H ILE A 15 -5.112 4.641 1.997 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.978 6.942 0.478 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.449 4.538 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.543 4.968 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.990 4.343 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.674 5.356 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.730 6.531 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.969 6.786 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.588 2.494 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.292 2.513 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.837 3.148 -2.198 1.00 0.00 H new ATOM 242 N VAL A 16 -6.124 8.093 0.172 1.00 0.00 N ATOM 243 CA VAL A 16 -7.341 8.888 0.196 1.00 0.00 C ATOM 244 C VAL A 16 -7.753 9.225 -1.239 1.00 0.00 C ATOM 245 O VAL A 16 -7.272 10.200 -1.814 1.00 0.00 O ATOM 246 CB VAL A 16 -7.136 10.129 1.066 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.413 10.971 1.129 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.665 9.743 2.469 1.00 0.00 C ATOM 0 H VAL A 16 -5.333 8.539 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.158 8.323 0.645 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.356 10.736 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.241 11.847 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.688 11.290 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.221 10.376 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.527 10.644 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.412 9.105 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.720 9.205 2.400 1.00 0.00 H new ATOM 258 N PRO A 17 -8.662 8.376 -1.790 1.00 0.00 N ATOM 259 CA PRO A 17 -9.145 8.574 -3.146 1.00 0.00 C ATOM 260 C PRO A 17 -10.137 9.736 -3.211 1.00 0.00 C ATOM 261 O PRO A 17 -10.357 10.427 -2.216 1.00 0.00 O ATOM 262 CB PRO A 17 -9.761 7.243 -3.542 1.00 0.00 C ATOM 263 CG PRO A 17 -10.019 6.499 -2.242 1.00 0.00 C ATOM 264 CD PRO A 17 -9.253 7.211 -1.138 1.00 0.00 C ATOM 0 HA PRO A 17 -8.351 8.852 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.687 7.391 -4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.089 6.678 -4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.085 6.482 -2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.694 5.462 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.915 7.506 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.486 6.566 -0.708 1.00 0.00 H new ATOM 272 N SER A 18 -10.712 9.918 -4.391 1.00 0.00 N ATOM 273 CA SER A 18 -11.677 10.984 -4.598 1.00 0.00 C ATOM 274 C SER A 18 -12.344 10.827 -5.965 1.00 0.00 C ATOM 275 O SER A 18 -13.549 11.038 -6.099 1.00 0.00 O ATOM 276 CB SER A 18 -11.011 12.357 -4.488 1.00 0.00 C ATOM 277 OG SER A 18 -11.946 13.419 -4.658 1.00 0.00 O ATOM 0 H SER A 18 -10.528 9.344 -5.214 1.00 0.00 H new ATOM 0 HA SER A 18 -12.437 10.914 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.530 12.450 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.227 12.441 -5.240 1.00 0.00 H new ATOM 0 HG SER A 18 -11.482 14.279 -4.579 1.00 0.00 H new ATOM 283 N ASN A 19 -11.534 10.458 -6.946 1.00 0.00 N ATOM 284 CA ASN A 19 -12.032 10.269 -8.298 1.00 0.00 C ATOM 285 C ASN A 19 -12.094 8.773 -8.610 1.00 0.00 C ATOM 286 O ASN A 19 -11.617 7.952 -7.829 1.00 0.00 O ATOM 287 CB ASN A 19 -11.107 10.929 -9.323 1.00 0.00 C ATOM 288 CG ASN A 19 -11.522 12.378 -9.584 1.00 0.00 C ATOM 289 OD1 ASN A 19 -12.693 12.716 -9.631 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.499 13.212 -9.750 1.00 0.00 N ATOM 0 H ASN A 19 -10.535 10.285 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.021 10.724 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.079 10.901 -8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.132 10.366 -10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.671 14.201 -9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.542 12.862 -9.698 1.00 0.00 H new ATOM 297 N GLU A 20 -12.684 8.464 -9.755 1.00 0.00 N ATOM 298 CA GLU A 20 -12.814 7.081 -10.182 1.00 0.00 C ATOM 299 C GLU A 20 -11.514 6.600 -10.827 1.00 0.00 C ATOM 300 O GLU A 20 -11.108 5.454 -10.636 1.00 0.00 O ATOM 301 CB GLU A 20 -13.996 6.910 -11.137 1.00 0.00 C ATOM 302 CG GLU A 20 -15.327 7.047 -10.393 1.00 0.00 C ATOM 303 CD GLU A 20 -16.233 8.073 -11.076 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.784 7.724 -12.142 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.354 9.184 -10.516 1.00 0.00 O ATOM 0 H GLU A 20 -13.078 9.148 -10.401 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.009 6.467 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.939 7.657 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.942 5.933 -11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.829 6.080 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.142 7.349 -9.362 1.00 0.00 H new ATOM 312 N GLU A 21 -10.894 7.499 -11.577 1.00 0.00 N ATOM 313 CA GLU A 21 -9.648 7.182 -12.252 1.00 0.00 C ATOM 314 C GLU A 21 -8.578 6.784 -11.232 1.00 0.00 C ATOM 315 O GLU A 21 -7.863 5.803 -11.428 1.00 0.00 O ATOM 316 CB GLU A 21 -9.176 8.354 -13.113 1.00 0.00 C ATOM 317 CG GLU A 21 -7.681 8.240 -13.423 1.00 0.00 C ATOM 318 CD GLU A 21 -6.842 8.898 -12.325 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.101 10.089 -12.049 1.00 0.00 O ATOM 320 OE2 GLU A 21 -5.960 8.193 -11.786 1.00 0.00 O ATOM 0 H GLU A 21 -11.233 8.449 -11.732 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.823 6.335 -12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.743 8.378 -14.044 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.373 9.293 -12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.404 7.190 -13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.468 8.713 -14.382 1.00 0.00 H new ATOM 327 N GLN A 22 -8.503 7.567 -10.166 1.00 0.00 N ATOM 328 CA GLN A 22 -7.534 7.310 -9.115 1.00 0.00 C ATOM 329 C GLN A 22 -7.814 5.960 -8.454 1.00 0.00 C ATOM 330 O GLN A 22 -6.887 5.207 -8.153 1.00 0.00 O ATOM 331 CB GLN A 22 -7.533 8.438 -8.081 1.00 0.00 C ATOM 332 CG GLN A 22 -6.534 9.531 -8.463 1.00 0.00 C ATOM 333 CD GLN A 22 -7.055 10.913 -8.063 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.769 11.574 -8.801 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.660 11.313 -6.858 1.00 0.00 N ATOM 0 H GLN A 22 -9.098 8.380 -10.008 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.541 7.274 -9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.533 8.865 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.280 8.036 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.578 9.343 -7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.353 9.504 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.063 10.711 -6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.954 12.222 -6.500 1.00 0.00 H new ATOM 344 N ILE A 23 -9.095 5.692 -8.247 1.00 0.00 N ATOM 345 CA ILE A 23 -9.508 4.445 -7.626 1.00 0.00 C ATOM 346 C ILE A 23 -9.308 3.296 -8.616 1.00 0.00 C ATOM 347 O ILE A 23 -8.856 2.217 -8.238 1.00 0.00 O ATOM 348 CB ILE A 23 -10.940 4.558 -7.098 1.00 0.00 C ATOM 349 CG1 ILE A 23 -10.975 5.319 -5.770 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.594 3.181 -6.987 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.414 5.643 -5.362 1.00 0.00 C ATOM 0 H ILE A 23 -9.861 6.317 -8.498 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.887 4.229 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.525 5.134 -7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.498 4.723 -4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.402 6.242 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.611 3.290 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.621 2.711 -7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.018 2.559 -6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.411 6.184 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.880 6.260 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.977 4.717 -5.249 1.00 0.00 H new ATOM 363 N LYS A 24 -9.655 3.568 -9.866 1.00 0.00 N ATOM 364 CA LYS A 24 -9.519 2.570 -10.914 1.00 0.00 C ATOM 365 C LYS A 24 -8.038 2.235 -11.103 1.00 0.00 C ATOM 366 O LYS A 24 -7.701 1.227 -11.722 1.00 0.00 O ATOM 367 CB LYS A 24 -10.211 3.041 -12.195 1.00 0.00 C ATOM 368 CG LYS A 24 -9.578 2.396 -13.430 1.00 0.00 C ATOM 369 CD LYS A 24 -10.247 2.895 -14.713 1.00 0.00 C ATOM 370 CE LYS A 24 -9.309 3.814 -15.498 1.00 0.00 C ATOM 371 NZ LYS A 24 -8.819 3.134 -16.718 1.00 0.00 N ATOM 0 H LYS A 24 -10.030 4.464 -10.176 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.022 1.646 -10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.271 2.791 -12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.142 4.126 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.513 2.625 -13.458 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.670 1.312 -13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.532 2.045 -15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.163 3.431 -14.465 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.832 4.731 -15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.465 4.103 -14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.184 3.771 -17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.302 2.272 -16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.627 2.880 -17.322 1.00 0.00 H new ATOM 385 N ASN A 25 -7.194 3.099 -10.559 1.00 0.00 N ATOM 386 CA ASN A 25 -5.757 2.907 -10.661 1.00 0.00 C ATOM 387 C ASN A 25 -5.342 1.723 -9.785 1.00 0.00 C ATOM 388 O ASN A 25 -4.514 0.907 -10.189 1.00 0.00 O ATOM 389 CB ASN A 25 -5.000 4.144 -10.173 1.00 0.00 C ATOM 390 CG ASN A 25 -3.666 4.295 -10.907 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.599 4.282 -10.317 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.787 4.440 -12.224 1.00 0.00 N ATOM 0 H ASN A 25 -7.477 3.934 -10.046 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.514 2.725 -11.708 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.609 5.034 -10.332 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.822 4.066 -9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.955 4.549 -12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.712 4.442 -12.654 1.00 0.00 H new ATOM 399 N LEU A 26 -5.936 1.666 -8.602 1.00 0.00 N ATOM 400 CA LEU A 26 -5.639 0.595 -7.666 1.00 0.00 C ATOM 401 C LEU A 26 -6.103 -0.737 -8.259 1.00 0.00 C ATOM 402 O LEU A 26 -5.362 -1.719 -8.245 1.00 0.00 O ATOM 403 CB LEU A 26 -6.241 0.901 -6.293 1.00 0.00 C ATOM 404 CG LEU A 26 -5.337 1.660 -5.319 1.00 0.00 C ATOM 405 CD1 LEU A 26 -5.969 1.730 -3.927 1.00 0.00 C ATOM 406 CD2 LEU A 26 -3.935 1.049 -5.282 1.00 0.00 C ATOM 0 H LEU A 26 -6.622 2.344 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.564 0.516 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.152 1.481 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.533 -0.041 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.232 2.684 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.307 2.274 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.928 2.245 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.123 0.720 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.313 1.607 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.000 0.009 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.492 1.094 -6.277 1.00 0.00 H new ATOM 418 N LEU A 27 -7.328 -0.729 -8.763 1.00 0.00 N ATOM 419 CA LEU A 27 -7.900 -1.925 -9.359 1.00 0.00 C ATOM 420 C LEU A 27 -6.921 -2.496 -10.387 1.00 0.00 C ATOM 421 O LEU A 27 -6.559 -3.669 -10.319 1.00 0.00 O ATOM 422 CB LEU A 27 -9.288 -1.627 -9.930 1.00 0.00 C ATOM 423 CG LEU A 27 -10.455 -1.737 -8.947 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.207 -0.409 -8.838 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.385 -2.893 -9.327 1.00 0.00 C ATOM 0 H LEU A 27 -7.941 0.086 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.051 -2.694 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.280 -0.618 -10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.472 -2.310 -10.760 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.050 -1.960 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.032 -0.515 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.526 0.367 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.599 -0.132 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.206 -2.949 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.785 -2.725 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.827 -3.829 -9.313 1.00 0.00 H new ATOM 437 N GLN A 28 -6.520 -1.639 -11.314 1.00 0.00 N ATOM 438 CA GLN A 28 -5.591 -2.044 -12.355 1.00 0.00 C ATOM 439 C GLN A 28 -4.309 -2.602 -11.734 1.00 0.00 C ATOM 440 O GLN A 28 -3.730 -3.558 -12.250 1.00 0.00 O ATOM 441 CB GLN A 28 -5.281 -0.878 -13.296 1.00 0.00 C ATOM 442 CG GLN A 28 -5.011 -1.377 -14.717 1.00 0.00 C ATOM 443 CD GLN A 28 -3.604 -0.993 -15.176 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.407 -0.098 -15.982 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.637 -1.718 -14.619 1.00 0.00 N ATOM 0 H GLN A 28 -6.821 -0.666 -11.366 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.058 -2.832 -12.946 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.119 -0.180 -13.305 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.414 -0.330 -12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.126 -2.460 -14.754 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.748 -0.955 -15.400 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.871 -2.453 -13.951 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.662 -1.539 -14.860 1.00 0.00 H new ATOM 454 N LEU A 29 -3.904 -1.984 -10.634 1.00 0.00 N ATOM 455 CA LEU A 29 -2.702 -2.407 -9.937 1.00 0.00 C ATOM 456 C LEU A 29 -2.941 -3.781 -9.307 1.00 0.00 C ATOM 457 O LEU A 29 -2.278 -4.755 -9.663 1.00 0.00 O ATOM 458 CB LEU A 29 -2.258 -1.340 -8.936 1.00 0.00 C ATOM 459 CG LEU A 29 -1.229 -1.783 -7.895 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.136 -2.027 -8.542 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.145 -0.779 -6.743 1.00 0.00 C ATOM 0 H LEU A 29 -4.388 -1.193 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.874 -2.516 -10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.844 -0.499 -9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.140 -0.972 -8.412 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.560 -2.732 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.849 -2.341 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.046 -2.807 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.487 -1.107 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.406 -1.119 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.851 0.196 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.118 -0.698 -6.259 1.00 0.00 H new ATOM 473 N GLU A 30 -3.889 -3.815 -8.382 1.00 0.00 N ATOM 474 CA GLU A 30 -4.223 -5.053 -7.699 1.00 0.00 C ATOM 475 C GLU A 30 -4.512 -6.160 -8.715 1.00 0.00 C ATOM 476 O GLU A 30 -4.177 -7.321 -8.486 1.00 0.00 O ATOM 477 CB GLU A 30 -5.409 -4.854 -6.753 1.00 0.00 C ATOM 478 CG GLU A 30 -5.333 -5.818 -5.567 1.00 0.00 C ATOM 479 CD GLU A 30 -6.298 -6.992 -5.751 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.357 -6.763 -6.374 1.00 0.00 O ATOM 481 OE2 GLU A 30 -5.953 -8.090 -5.265 1.00 0.00 O ATOM 0 H GLU A 30 -4.436 -3.005 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.366 -5.355 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.421 -3.826 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.341 -5.012 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.315 -6.193 -5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.573 -5.287 -4.646 1.00 0.00 H new ATOM 488 N ALA A 31 -5.130 -5.760 -9.817 1.00 0.00 N ATOM 489 CA ALA A 31 -5.468 -6.704 -10.869 1.00 0.00 C ATOM 490 C ALA A 31 -4.211 -7.471 -11.282 1.00 0.00 C ATOM 491 O ALA A 31 -4.245 -8.692 -11.430 1.00 0.00 O ATOM 492 CB ALA A 31 -6.105 -5.954 -12.041 1.00 0.00 C ATOM 0 H ALA A 31 -5.405 -4.796 -10.004 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.196 -7.432 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.359 -6.661 -12.831 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.009 -5.449 -11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.401 -5.217 -12.427 1.00 0.00 H new ATOM 498 N GLN A 32 -3.131 -6.724 -11.457 1.00 0.00 N ATOM 499 CA GLN A 32 -1.865 -7.319 -11.850 1.00 0.00 C ATOM 500 C GLN A 32 -1.466 -8.420 -10.865 1.00 0.00 C ATOM 501 O GLN A 32 -0.909 -8.138 -9.805 1.00 0.00 O ATOM 502 CB GLN A 32 -0.769 -6.257 -11.957 1.00 0.00 C ATOM 503 CG GLN A 32 -0.872 -5.493 -13.279 1.00 0.00 C ATOM 504 CD GLN A 32 -0.543 -6.403 -14.465 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.285 -7.295 -14.385 1.00 0.00 O ATOM 506 NE2 GLN A 32 -1.236 -6.128 -15.566 1.00 0.00 N ATOM 0 H GLN A 32 -3.106 -5.712 -11.334 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.989 -7.768 -12.836 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.851 -5.560 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.210 -6.731 -11.882 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.878 -5.090 -13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.189 -4.644 -13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.915 -5.366 -15.565 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.089 -6.679 -16.412 1.00 0.00 H new ATOM 584 N LEU A 37 -1.925 -7.234 -4.429 1.00 0.00 N ATOM 585 CA LEU A 37 -2.015 -6.643 -3.106 1.00 0.00 C ATOM 586 C LEU A 37 -3.418 -6.878 -2.540 1.00 0.00 C ATOM 587 O LEU A 37 -4.334 -7.241 -3.275 1.00 0.00 O ATOM 588 CB LEU A 37 -1.608 -5.168 -3.148 1.00 0.00 C ATOM 589 CG LEU A 37 -0.586 -4.785 -4.220 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.237 -3.952 -5.326 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.618 -4.073 -3.600 1.00 0.00 C ATOM 0 HA LEU A 37 -1.312 -7.124 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.505 -4.568 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.202 -4.896 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.216 -5.701 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.489 -3.693 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.035 -4.529 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.652 -3.040 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.329 -3.812 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.284 -3.166 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.099 -4.733 -2.879 1.00 0.00 H new ATOM 603 N ASP A 38 -3.540 -6.660 -1.239 1.00 0.00 N ATOM 604 CA ASP A 38 -4.815 -6.843 -0.567 1.00 0.00 C ATOM 605 C ASP A 38 -5.261 -5.514 0.043 1.00 0.00 C ATOM 606 O ASP A 38 -4.528 -4.906 0.821 1.00 0.00 O ATOM 607 CB ASP A 38 -4.699 -7.867 0.564 1.00 0.00 C ATOM 608 CG ASP A 38 -5.974 -8.662 0.850 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.040 -8.220 0.368 1.00 0.00 O ATOM 610 OD2 ASP A 38 -5.855 -9.695 1.544 1.00 0.00 O ATOM 0 H ASP A 38 -2.777 -6.358 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.536 -7.198 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.900 -8.567 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.401 -7.348 1.475 1.00 0.00 H new ATOM 615 N PHE A 39 -6.463 -5.100 -0.334 1.00 0.00 N ATOM 616 CA PHE A 39 -7.016 -3.853 0.167 1.00 0.00 C ATOM 617 C PHE A 39 -7.882 -4.094 1.405 1.00 0.00 C ATOM 618 O PHE A 39 -8.749 -4.968 1.399 1.00 0.00 O ATOM 619 CB PHE A 39 -7.889 -3.272 -0.946 1.00 0.00 C ATOM 620 CG PHE A 39 -7.101 -2.781 -2.164 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.978 -2.034 -1.989 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.524 -3.091 -3.417 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.245 -1.579 -3.118 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.792 -2.635 -4.547 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.669 -1.888 -4.373 1.00 0.00 C ATOM 0 H PHE A 39 -7.069 -5.606 -0.980 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.210 -3.175 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.601 -4.031 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.469 -2.442 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.644 -1.787 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.416 -3.684 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.352 -0.988 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.128 -2.882 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.114 -1.540 -5.231 1.00 0.00 H new ATOM 635 N TRP A 40 -7.619 -3.305 2.436 1.00 0.00 N ATOM 636 CA TRP A 40 -8.364 -3.423 3.678 1.00 0.00 C ATOM 637 C TRP A 40 -9.785 -2.915 3.427 1.00 0.00 C ATOM 638 O TRP A 40 -10.756 -3.617 3.701 1.00 0.00 O ATOM 639 CB TRP A 40 -7.657 -2.682 4.814 1.00 0.00 C ATOM 640 CG TRP A 40 -6.502 -3.464 5.444 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.872 -4.540 4.955 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.863 -3.185 6.707 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.877 -4.974 5.807 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.872 -4.123 6.907 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.114 -2.173 7.651 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.052 -4.144 8.042 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.287 -2.207 8.779 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.284 -3.145 8.995 1.00 0.00 C ATOM 0 H TRP A 40 -6.900 -2.581 2.437 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.417 -4.464 3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.276 -1.734 4.434 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.386 -2.445 5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.112 -5.009 4.012 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.259 -5.772 5.658 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.884 -1.428 7.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.283 -4.890 8.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.439 -1.451 9.535 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.687 -3.103 9.894 1.00 0.00 H new ATOM 659 N LYS A 41 -9.861 -1.698 2.906 1.00 0.00 N ATOM 660 CA LYS A 41 -11.147 -1.089 2.615 1.00 0.00 C ATOM 661 C LYS A 41 -11.308 -0.947 1.100 1.00 0.00 C ATOM 662 O LYS A 41 -10.605 -0.161 0.467 1.00 0.00 O ATOM 663 CB LYS A 41 -11.299 0.231 3.375 1.00 0.00 C ATOM 664 CG LYS A 41 -12.767 0.510 3.702 1.00 0.00 C ATOM 665 CD LYS A 41 -12.904 1.214 5.054 1.00 0.00 C ATOM 666 CE LYS A 41 -14.340 1.128 5.573 1.00 0.00 C ATOM 667 NZ LYS A 41 -14.353 0.731 7.000 1.00 0.00 N ATOM 0 H LYS A 41 -9.053 -1.119 2.678 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.958 -1.727 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.718 0.193 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.894 1.048 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.206 1.129 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.324 -0.427 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.225 0.759 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.611 2.259 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.835 2.092 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.903 0.405 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.336 0.677 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.900 -0.199 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.833 1.436 7.561 1.00 0.00 H new ATOM 681 N SER A 42 -12.238 -1.722 0.560 1.00 0.00 N ATOM 682 CA SER A 42 -12.500 -1.694 -0.868 1.00 0.00 C ATOM 683 C SER A 42 -12.488 -0.249 -1.373 1.00 0.00 C ATOM 684 O SER A 42 -13.455 0.487 -1.187 1.00 0.00 O ATOM 685 CB SER A 42 -13.839 -2.358 -1.196 1.00 0.00 C ATOM 686 OG SER A 42 -14.894 -1.869 -0.372 1.00 0.00 O ATOM 0 H SER A 42 -12.819 -2.373 1.087 1.00 0.00 H new ATOM 0 HA SER A 42 -11.713 -2.256 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.085 -2.180 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.750 -3.437 -1.068 1.00 0.00 H new ATOM 0 HG SER A 42 -14.846 -0.891 -0.325 1.00 0.00 H new ATOM 692 N PRO A 43 -11.349 0.123 -2.019 1.00 0.00 N ATOM 693 CA PRO A 43 -11.197 1.465 -2.554 1.00 0.00 C ATOM 694 C PRO A 43 -12.022 1.645 -3.829 1.00 0.00 C ATOM 695 O PRO A 43 -12.019 2.719 -4.430 1.00 0.00 O ATOM 696 CB PRO A 43 -9.704 1.631 -2.784 1.00 0.00 C ATOM 697 CG PRO A 43 -9.129 0.224 -2.810 1.00 0.00 C ATOM 698 CD PRO A 43 -10.183 -0.722 -2.258 1.00 0.00 C ATOM 0 HA PRO A 43 -11.569 2.232 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.508 2.151 -3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.250 2.224 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.858 -0.059 -3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.219 0.173 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.410 -1.519 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.844 -1.199 -1.338 1.00 0.00 H new ATOM 706 N THR A 44 -12.710 0.578 -4.207 1.00 0.00 N ATOM 707 CA THR A 44 -13.538 0.603 -5.401 1.00 0.00 C ATOM 708 C THR A 44 -14.297 1.929 -5.494 1.00 0.00 C ATOM 709 O THR A 44 -14.599 2.399 -6.590 1.00 0.00 O ATOM 710 CB THR A 44 -14.455 -0.620 -5.367 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.712 -1.630 -6.044 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.707 -0.437 -6.227 1.00 0.00 C ATOM 0 H THR A 44 -12.711 -0.311 -3.707 1.00 0.00 H new ATOM 0 HA THR A 44 -12.931 0.546 -6.305 1.00 0.00 H new ATOM 0 HB THR A 44 -14.749 -0.825 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.233 -2.460 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.323 -1.334 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.276 0.419 -5.864 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.415 -0.265 -7.263 1.00 0.00 H new ATOM 720 N THR A 45 -14.581 2.495 -4.331 1.00 0.00 N ATOM 721 CA THR A 45 -15.299 3.756 -4.268 1.00 0.00 C ATOM 722 C THR A 45 -14.557 4.747 -3.367 1.00 0.00 C ATOM 723 O THR A 45 -13.849 4.344 -2.447 1.00 0.00 O ATOM 724 CB THR A 45 -16.728 3.466 -3.804 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.603 3.263 -2.399 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.253 2.128 -4.329 1.00 0.00 C ATOM 0 H THR A 45 -14.327 2.103 -3.424 1.00 0.00 H new ATOM 0 HA THR A 45 -15.351 4.230 -5.248 1.00 0.00 H new ATOM 0 HB THR A 45 -17.387 4.269 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.485 3.071 -2.017 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.270 1.971 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.249 2.138 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.614 1.321 -3.972 1.00 0.00 H new ATOM 734 N PRO A 46 -14.754 6.058 -3.672 1.00 0.00 N ATOM 735 CA PRO A 46 -14.112 7.109 -2.900 1.00 0.00 C ATOM 736 C PRO A 46 -14.794 7.287 -1.542 1.00 0.00 C ATOM 737 O PRO A 46 -15.639 6.480 -1.158 1.00 0.00 O ATOM 738 CB PRO A 46 -14.200 8.348 -3.776 1.00 0.00 C ATOM 739 CG PRO A 46 -15.289 8.063 -4.796 1.00 0.00 C ATOM 740 CD PRO A 46 -15.587 6.573 -4.754 1.00 0.00 C ATOM 0 HA PRO A 46 -13.074 6.880 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.443 9.229 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.248 8.547 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.186 8.638 -4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.965 8.360 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.644 6.386 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.345 6.094 -5.703 1.00 0.00 H new ATOM 748 N GLY A 47 -14.400 8.348 -0.853 1.00 0.00 N ATOM 749 CA GLY A 47 -14.964 8.642 0.455 1.00 0.00 C ATOM 750 C GLY A 47 -14.599 7.554 1.465 1.00 0.00 C ATOM 751 O GLY A 47 -15.124 7.533 2.578 1.00 0.00 O ATOM 0 H GLY A 47 -13.698 9.014 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.596 9.607 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.048 8.723 0.378 1.00 0.00 H new ATOM 755 N GLU A 48 -13.702 6.674 1.043 1.00 0.00 N ATOM 756 CA GLU A 48 -13.261 5.586 1.898 1.00 0.00 C ATOM 757 C GLU A 48 -11.788 5.265 1.633 1.00 0.00 C ATOM 758 O GLU A 48 -11.459 4.628 0.633 1.00 0.00 O ATOM 759 CB GLU A 48 -14.136 4.346 1.703 1.00 0.00 C ATOM 760 CG GLU A 48 -15.613 4.729 1.601 1.00 0.00 C ATOM 761 CD GLU A 48 -16.509 3.492 1.706 1.00 0.00 C ATOM 762 OE1 GLU A 48 -16.519 2.715 0.727 1.00 0.00 O ATOM 763 OE2 GLU A 48 -17.163 3.354 2.762 1.00 0.00 O ATOM 0 H GLU A 48 -13.269 6.693 0.120 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.362 5.902 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.830 3.819 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.991 3.659 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.865 5.433 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.796 5.236 0.654 1.00 0.00 H new ATOM 770 N THR A 49 -10.942 5.721 2.544 1.00 0.00 N ATOM 771 CA THR A 49 -9.513 5.491 2.420 1.00 0.00 C ATOM 772 C THR A 49 -9.221 3.992 2.321 1.00 0.00 C ATOM 773 O THR A 49 -10.022 3.169 2.764 1.00 0.00 O ATOM 774 CB THR A 49 -8.821 6.168 3.604 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.245 5.410 4.735 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.362 7.574 3.874 1.00 0.00 C ATOM 0 H THR A 49 -11.219 6.249 3.372 1.00 0.00 H new ATOM 0 HA THR A 49 -9.120 5.928 1.502 1.00 0.00 H new ATOM 0 HB THR A 49 -7.749 6.222 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.560 4.745 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.837 8.009 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.208 8.198 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.428 7.517 4.096 1.00 0.00 H new ATOM 784 N ALA A 50 -8.072 3.683 1.739 1.00 0.00 N ATOM 785 CA ALA A 50 -7.665 2.297 1.577 1.00 0.00 C ATOM 786 C ALA A 50 -6.441 2.025 2.453 1.00 0.00 C ATOM 787 O ALA A 50 -5.723 2.950 2.827 1.00 0.00 O ATOM 788 CB ALA A 50 -7.397 2.015 0.097 1.00 0.00 C ATOM 0 H ALA A 50 -7.410 4.368 1.374 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.458 1.622 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.092 0.976 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.305 2.197 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.603 2.671 -0.260 1.00 0.00 H new ATOM 794 N HIS A 51 -6.242 0.749 2.755 1.00 0.00 N ATOM 795 CA HIS A 51 -5.117 0.343 3.580 1.00 0.00 C ATOM 796 C HIS A 51 -4.675 -1.068 3.187 1.00 0.00 C ATOM 797 O HIS A 51 -5.232 -2.054 3.666 1.00 0.00 O ATOM 798 CB HIS A 51 -5.463 0.463 5.066 1.00 0.00 C ATOM 799 CG HIS A 51 -6.490 1.526 5.374 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.756 1.230 5.849 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.425 2.885 5.270 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.415 2.367 6.020 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.589 3.391 5.660 1.00 0.00 N ATOM 0 H HIS A 51 -6.841 -0.016 2.443 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.274 1.012 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.833 -0.499 5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.552 0.680 5.624 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.120 0.296 6.036 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.572 3.453 4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.428 2.465 6.381 1.00 0.00 H new ATOM 812 N VAL A 52 -3.677 -1.118 2.316 1.00 0.00 N ATOM 813 CA VAL A 52 -3.153 -2.392 1.851 1.00 0.00 C ATOM 814 C VAL A 52 -1.728 -2.574 2.377 1.00 0.00 C ATOM 815 O VAL A 52 -0.961 -1.616 2.445 1.00 0.00 O ATOM 816 CB VAL A 52 -3.242 -2.469 0.326 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.122 -1.080 -0.301 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.184 -3.419 -0.237 1.00 0.00 C ATOM 0 H VAL A 52 -3.218 -0.298 1.920 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.751 -3.216 2.240 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.222 -2.869 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.188 -1.163 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.929 -0.445 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.163 -0.640 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.269 -3.456 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.191 -3.062 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.337 -4.417 0.173 1.00 0.00 H new ATOM 828 N ARG A 53 -1.418 -3.811 2.736 1.00 0.00 N ATOM 829 CA ARG A 53 -0.099 -4.132 3.253 1.00 0.00 C ATOM 830 C ARG A 53 0.877 -4.383 2.103 1.00 0.00 C ATOM 831 O ARG A 53 1.073 -5.526 1.688 1.00 0.00 O ATOM 832 CB ARG A 53 -0.145 -5.369 4.153 1.00 0.00 C ATOM 833 CG ARG A 53 -1.228 -5.228 5.223 1.00 0.00 C ATOM 834 CD ARG A 53 -0.978 -6.188 6.388 1.00 0.00 C ATOM 835 NE ARG A 53 -1.725 -7.448 6.175 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.746 -8.465 7.047 1.00 0.00 C ATOM 837 NH1 ARG A 53 -1.061 -8.378 8.195 1.00 0.00 N ATOM 838 NH2 ARG A 53 -2.451 -9.570 6.770 1.00 0.00 N ATOM 0 H ARG A 53 -2.058 -4.603 2.679 1.00 0.00 H new ATOM 0 HA ARG A 53 0.241 -3.280 3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.339 -6.256 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.825 -5.513 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.249 -4.202 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.205 -5.430 4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.088 -6.398 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.289 -5.725 7.325 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.257 -7.548 5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.523 -7.537 8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.077 -9.152 8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.972 -9.637 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.467 -10.344 7.434 1.00 0.00 H new ATOM 852 N VAL A 54 1.462 -3.299 1.616 1.00 0.00 N ATOM 853 CA VAL A 54 2.412 -3.388 0.521 1.00 0.00 C ATOM 854 C VAL A 54 3.808 -3.664 1.083 1.00 0.00 C ATOM 855 O VAL A 54 4.144 -3.204 2.173 1.00 0.00 O ATOM 856 CB VAL A 54 2.351 -2.116 -0.329 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.347 -1.071 0.176 1.00 0.00 C ATOM 858 CG2 VAL A 54 2.590 -2.434 -1.807 1.00 0.00 C ATOM 0 H VAL A 54 1.296 -2.353 1.960 1.00 0.00 H new ATOM 0 HA VAL A 54 2.157 -4.217 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 54 1.350 -1.696 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.283 -0.178 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.111 -0.813 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.357 -1.477 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.542 -1.514 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.574 -2.888 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.825 -3.127 -2.158 1.00 0.00 H new ATOM 868 N PRO A 55 4.603 -4.435 0.293 1.00 0.00 N ATOM 869 CA PRO A 55 5.955 -4.777 0.701 1.00 0.00 C ATOM 870 C PRO A 55 6.897 -3.582 0.542 1.00 0.00 C ATOM 871 O PRO A 55 6.856 -2.887 -0.472 1.00 0.00 O ATOM 872 CB PRO A 55 6.342 -5.958 -0.174 1.00 0.00 C ATOM 873 CG PRO A 55 5.381 -5.938 -1.351 1.00 0.00 C ATOM 874 CD PRO A 55 4.238 -4.997 -1.003 1.00 0.00 C ATOM 0 HA PRO A 55 6.021 -5.040 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.375 -5.872 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.264 -6.895 0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.890 -5.602 -2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.003 -6.940 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.125 -4.217 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.288 -5.530 -0.951 1.00 0.00 H new ATOM 882 N PHE A 56 7.722 -3.380 1.559 1.00 0.00 N ATOM 883 CA PHE A 56 8.672 -2.280 1.544 1.00 0.00 C ATOM 884 C PHE A 56 9.458 -2.253 0.232 1.00 0.00 C ATOM 885 O PHE A 56 9.733 -1.183 -0.309 1.00 0.00 O ATOM 886 CB PHE A 56 9.643 -2.513 2.703 1.00 0.00 C ATOM 887 CG PHE A 56 10.328 -1.241 3.206 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.299 -0.651 2.460 1.00 0.00 C ATOM 889 CD2 PHE A 56 9.964 -0.700 4.401 1.00 0.00 C ATOM 890 CE1 PHE A 56 11.934 0.531 2.926 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.600 0.482 4.867 1.00 0.00 C ATOM 892 CZ PHE A 56 11.571 1.071 4.120 1.00 0.00 C ATOM 0 H PHE A 56 7.752 -3.959 2.398 1.00 0.00 H new ATOM 0 HA PHE A 56 8.145 -1.331 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.102 -2.973 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.406 -3.224 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.588 -1.081 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.193 -1.169 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.705 1.000 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.312 0.912 5.815 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.055 1.969 4.475 1.00 0.00 H new ATOM 902 N VAL A 57 9.800 -3.443 -0.240 1.00 0.00 N ATOM 903 CA VAL A 57 10.550 -3.568 -1.478 1.00 0.00 C ATOM 904 C VAL A 57 9.682 -3.097 -2.646 1.00 0.00 C ATOM 905 O VAL A 57 10.195 -2.782 -3.720 1.00 0.00 O ATOM 906 CB VAL A 57 11.048 -5.005 -1.645 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.937 -6.010 -1.335 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.614 -5.230 -3.049 1.00 0.00 C ATOM 0 H VAL A 57 9.572 -4.328 0.212 1.00 0.00 H new ATOM 0 HA VAL A 57 11.435 -2.932 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 57 11.854 -5.165 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.318 -7.024 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.600 -5.874 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.101 -5.849 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.961 -6.259 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.836 -5.042 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.448 -4.549 -3.218 1.00 0.00 H new ATOM 918 N ASN A 58 8.381 -3.064 -2.399 1.00 0.00 N ATOM 919 CA ASN A 58 7.436 -2.636 -3.417 1.00 0.00 C ATOM 920 C ASN A 58 6.681 -1.401 -2.919 1.00 0.00 C ATOM 921 O ASN A 58 5.681 -1.000 -3.511 1.00 0.00 O ATOM 922 CB ASN A 58 6.409 -3.731 -3.709 1.00 0.00 C ATOM 923 CG ASN A 58 5.745 -3.511 -5.071 1.00 0.00 C ATOM 924 OD1 ASN A 58 6.225 -3.952 -6.102 1.00 0.00 O ATOM 925 ND2 ASN A 58 4.619 -2.807 -5.015 1.00 0.00 N ATOM 0 H ASN A 58 7.959 -3.327 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 58 7.996 -2.414 -4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.896 -4.706 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.649 -3.740 -2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.100 -2.606 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.274 -2.468 -4.117 1.00 0.00 H new ATOM 932 N VAL A 59 7.191 -0.832 -1.836 1.00 0.00 N ATOM 933 CA VAL A 59 6.577 0.349 -1.253 1.00 0.00 C ATOM 934 C VAL A 59 6.914 1.570 -2.111 1.00 0.00 C ATOM 935 O VAL A 59 6.145 2.529 -2.163 1.00 0.00 O ATOM 936 CB VAL A 59 7.018 0.502 0.205 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.088 1.977 0.604 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.094 -0.277 1.142 1.00 0.00 C ATOM 0 H VAL A 59 8.022 -1.167 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 59 5.492 0.250 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 59 8.020 0.082 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.404 2.058 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.805 2.493 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.105 2.433 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.430 -0.151 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.076 0.099 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.117 -1.335 0.879 1.00 0.00 H new ATOM 948 N GLN A 60 8.066 1.496 -2.762 1.00 0.00 N ATOM 949 CA GLN A 60 8.514 2.584 -3.615 1.00 0.00 C ATOM 950 C GLN A 60 7.720 2.594 -4.923 1.00 0.00 C ATOM 951 O GLN A 60 7.113 3.603 -5.277 1.00 0.00 O ATOM 952 CB GLN A 60 10.017 2.484 -3.886 1.00 0.00 C ATOM 953 CG GLN A 60 10.558 3.793 -4.464 1.00 0.00 C ATOM 954 CD GLN A 60 10.764 4.836 -3.363 1.00 0.00 C ATOM 955 OE1 GLN A 60 11.313 4.562 -2.308 1.00 0.00 O ATOM 956 NE2 GLN A 60 10.294 6.042 -3.665 1.00 0.00 N ATOM 0 H GLN A 60 8.702 0.700 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 60 8.333 3.525 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.542 2.246 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.211 1.667 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.503 3.606 -4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.864 4.179 -5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.845 6.203 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.382 6.806 -2.995 1.00 0.00 H new ATOM 965 N ALA A 61 7.752 1.460 -5.606 1.00 0.00 N ATOM 966 CA ALA A 61 7.044 1.325 -6.867 1.00 0.00 C ATOM 967 C ALA A 61 5.618 1.856 -6.706 1.00 0.00 C ATOM 968 O ALA A 61 5.097 2.527 -7.595 1.00 0.00 O ATOM 969 CB ALA A 61 7.074 -0.137 -7.318 1.00 0.00 C ATOM 0 H ALA A 61 8.258 0.625 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 61 7.530 1.915 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.542 -0.237 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.108 -0.457 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.593 -0.760 -6.564 1.00 0.00 H new ATOM 975 N VAL A 62 5.028 1.534 -5.563 1.00 0.00 N ATOM 976 CA VAL A 62 3.672 1.971 -5.274 1.00 0.00 C ATOM 977 C VAL A 62 3.672 3.477 -5.007 1.00 0.00 C ATOM 978 O VAL A 62 2.784 4.192 -5.469 1.00 0.00 O ATOM 979 CB VAL A 62 3.099 1.157 -4.112 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.621 1.484 -3.891 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.301 -0.341 -4.338 1.00 0.00 C ATOM 0 H VAL A 62 5.463 0.977 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 62 3.022 1.794 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 62 3.643 1.434 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.238 0.892 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.513 2.544 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.057 1.249 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.884 -0.895 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.797 -0.642 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.366 -0.556 -4.422 1.00 0.00 H new ATOM 991 N LYS A 63 4.678 3.915 -4.263 1.00 0.00 N ATOM 992 CA LYS A 63 4.804 5.323 -3.931 1.00 0.00 C ATOM 993 C LYS A 63 4.905 6.141 -5.220 1.00 0.00 C ATOM 994 O LYS A 63 4.499 7.301 -5.257 1.00 0.00 O ATOM 995 CB LYS A 63 5.974 5.544 -2.970 1.00 0.00 C ATOM 996 CG LYS A 63 6.576 6.938 -3.149 1.00 0.00 C ATOM 997 CD LYS A 63 7.439 7.323 -1.945 1.00 0.00 C ATOM 998 CE LYS A 63 6.569 7.766 -0.767 1.00 0.00 C ATOM 999 NZ LYS A 63 7.305 8.720 0.091 1.00 0.00 N ATOM 0 H LYS A 63 5.413 3.319 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 63 3.916 5.670 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.633 5.421 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.740 4.788 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.180 6.963 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.778 7.669 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.055 6.474 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.119 8.128 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.655 8.231 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.270 6.897 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.700 9.010 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.165 8.264 0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.569 9.557 -0.467 1.00 0.00 H new ATOM 1013 N VAL A 64 5.449 5.504 -6.246 1.00 0.00 N ATOM 1014 CA VAL A 64 5.608 6.157 -7.534 1.00 0.00 C ATOM 1015 C VAL A 64 4.279 6.112 -8.292 1.00 0.00 C ATOM 1016 O VAL A 64 3.914 7.072 -8.969 1.00 0.00 O ATOM 1017 CB VAL A 64 6.760 5.513 -8.309 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.627 5.779 -9.810 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.113 5.998 -7.783 1.00 0.00 C ATOM 0 H VAL A 64 5.785 4.542 -6.212 1.00 0.00 H new ATOM 0 HA VAL A 64 5.870 7.206 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 64 6.708 4.435 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.458 5.311 -10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.687 5.362 -10.171 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.641 6.854 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.915 5.525 -8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.180 7.080 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.210 5.734 -6.730 1.00 0.00 H new ATOM 1029 N PHE A 65 3.593 4.988 -8.152 1.00 0.00 N ATOM 1030 CA PHE A 65 2.312 4.805 -8.814 1.00 0.00 C ATOM 1031 C PHE A 65 1.301 5.856 -8.352 1.00 0.00 C ATOM 1032 O PHE A 65 0.572 6.422 -9.165 1.00 0.00 O ATOM 1033 CB PHE A 65 1.802 3.417 -8.426 1.00 0.00 C ATOM 1034 CG PHE A 65 0.660 2.905 -9.307 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.762 2.976 -10.662 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.456 2.379 -8.735 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.298 2.500 -11.478 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.516 1.904 -9.553 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.415 1.975 -10.907 1.00 0.00 C ATOM 0 H PHE A 65 3.900 4.194 -7.590 1.00 0.00 H new ATOM 0 HA PHE A 65 2.433 4.906 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.630 2.710 -8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.465 3.442 -7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.648 3.394 -11.116 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.536 2.322 -7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.217 2.555 -12.554 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.402 1.486 -9.099 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.221 1.615 -11.529 1.00 0.00 H new ATOM 1049 N LEU A 66 1.288 6.083 -7.047 1.00 0.00 N ATOM 1050 CA LEU A 66 0.378 7.056 -6.466 1.00 0.00 C ATOM 1051 C LEU A 66 0.674 8.438 -7.050 1.00 0.00 C ATOM 1052 O LEU A 66 -0.187 9.045 -7.684 1.00 0.00 O ATOM 1053 CB LEU A 66 0.445 7.007 -4.937 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.098 5.734 -4.283 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.953 5.096 -3.372 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.406 6.015 -3.540 1.00 0.00 C ATOM 0 H LEU A 66 1.893 5.610 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.653 6.815 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.485 7.132 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.107 7.859 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.323 5.014 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.543 4.193 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.835 4.839 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.231 5.801 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.771 5.094 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.231 6.759 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.150 6.392 -4.242 1.00 0.00 H new ATOM 1068 N GLU A 67 1.895 8.895 -6.816 1.00 0.00 N ATOM 1069 CA GLU A 67 2.316 10.195 -7.311 1.00 0.00 C ATOM 1070 C GLU A 67 2.112 10.277 -8.825 1.00 0.00 C ATOM 1071 O GLU A 67 1.841 11.350 -9.361 1.00 0.00 O ATOM 1072 CB GLU A 67 3.773 10.479 -6.937 1.00 0.00 C ATOM 1073 CG GLU A 67 3.862 11.202 -5.592 1.00 0.00 C ATOM 1074 CD GLU A 67 4.242 12.671 -5.784 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.426 13.393 -6.398 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.339 13.041 -5.313 1.00 0.00 O ATOM 0 H GLU A 67 2.607 8.388 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 67 1.699 10.960 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.329 9.543 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.240 11.087 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.905 11.135 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.601 10.711 -4.959 1.00 0.00 H new ATOM 1083 N SER A 68 2.252 9.128 -9.472 1.00 0.00 N ATOM 1084 CA SER A 68 2.086 9.058 -10.915 1.00 0.00 C ATOM 1085 C SER A 68 0.602 9.149 -11.276 1.00 0.00 C ATOM 1086 O SER A 68 0.235 9.818 -12.239 1.00 0.00 O ATOM 1087 CB SER A 68 2.691 7.769 -11.475 1.00 0.00 C ATOM 1088 OG SER A 68 1.899 6.627 -11.161 1.00 0.00 O ATOM 0 H SER A 68 2.478 8.240 -9.024 1.00 0.00 H new ATOM 0 HA SER A 68 2.614 9.900 -11.362 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.790 7.855 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.695 7.635 -11.073 1.00 0.00 H new ATOM 0 HG SER A 68 1.240 6.864 -10.476 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.210 8.465 -10.483 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.646 8.460 -10.708 1.00 0.00 C ATOM 1096 C GLN A 69 -2.277 9.731 -10.136 1.00 0.00 C ATOM 1097 O GLN A 69 -3.500 9.859 -10.099 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.291 7.210 -10.106 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.780 7.477 -8.681 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.079 6.167 -7.950 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.191 5.441 -7.533 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.377 5.906 -7.818 1.00 0.00 N ATOM 0 H GLN A 69 0.099 7.911 -9.684 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.825 8.440 -11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.128 6.893 -10.728 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.571 6.392 -10.100 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.024 8.039 -8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.678 8.094 -8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.069 6.557 -8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.681 5.055 -7.344 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.414 10.640 -9.706 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.871 11.896 -9.137 1.00 0.00 C ATOM 1113 C GLY A 70 -2.822 11.654 -7.964 1.00 0.00 C ATOM 1114 O GLY A 70 -3.917 12.216 -7.921 1.00 0.00 O ATOM 0 H GLY A 70 -0.400 10.531 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.014 12.480 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.376 12.484 -9.903 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.373 10.817 -7.041 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.170 10.493 -5.870 1.00 0.00 C ATOM 1120 C ILE A 71 -2.442 10.973 -4.614 1.00 0.00 C ATOM 1121 O ILE A 71 -1.328 11.487 -4.696 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.514 9.002 -5.852 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.703 8.725 -4.931 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.290 8.163 -5.477 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.534 7.549 -5.447 1.00 0.00 C ATOM 0 H ILE A 71 -1.466 10.352 -7.080 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.126 11.016 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.811 8.707 -6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.345 8.508 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.329 9.615 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.561 7.107 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.497 8.330 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.940 8.453 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.373 7.373 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.911 7.779 -6.444 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.911 6.655 -5.492 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.100 10.784 -3.480 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.529 11.191 -2.207 1.00 0.00 C ATOM 1139 C ALA A 72 -2.664 10.045 -1.203 1.00 0.00 C ATOM 1140 O ALA A 72 -3.768 9.563 -0.951 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.213 12.473 -1.726 1.00 0.00 C ATOM 0 H ALA A 72 -4.023 10.355 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.467 11.410 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.784 12.778 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.062 13.264 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.281 12.292 -1.603 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.527 9.643 -0.655 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.505 8.563 0.317 1.00 0.00 C ATOM 1149 C TYR A 73 -0.696 8.955 1.554 1.00 0.00 C ATOM 1150 O TYR A 73 -0.333 10.119 1.720 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.815 7.386 -0.377 1.00 0.00 C ATOM 1152 CG TYR A 73 0.415 7.781 -1.196 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.268 8.543 -2.338 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.671 7.377 -0.794 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.426 8.915 -3.109 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.829 7.748 -1.565 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.650 8.498 -2.685 1.00 0.00 C ATOM 1158 OH TYR A 73 3.743 8.850 -3.414 1.00 0.00 O ATOM 0 H TYR A 73 -0.614 10.046 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.516 8.321 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.518 6.657 0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.532 6.893 -1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.715 8.860 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.786 6.782 0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.325 9.512 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.818 7.438 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 73 3.766 8.327 -4.242 1.00 0.00 H new ATOM 1168 N SER A 74 -0.437 7.962 2.393 1.00 0.00 N ATOM 1169 CA SER A 74 0.321 8.189 3.611 1.00 0.00 C ATOM 1170 C SER A 74 0.782 6.853 4.196 1.00 0.00 C ATOM 1171 O SER A 74 0.309 5.795 3.786 1.00 0.00 O ATOM 1172 CB SER A 74 -0.507 8.961 4.640 1.00 0.00 C ATOM 1173 OG SER A 74 -0.337 10.371 4.511 1.00 0.00 O ATOM 0 H SER A 74 -0.739 6.998 2.252 1.00 0.00 H new ATOM 0 HA SER A 74 1.195 8.791 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.561 8.710 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.218 8.651 5.644 1.00 0.00 H new ATOM 0 HG SER A 74 -0.295 10.610 3.561 1.00 0.00 H new ATOM 1179 N ILE A 75 1.702 6.945 5.146 1.00 0.00 N ATOM 1180 CA ILE A 75 2.232 5.757 5.792 1.00 0.00 C ATOM 1181 C ILE A 75 1.526 5.553 7.134 1.00 0.00 C ATOM 1182 O ILE A 75 1.412 6.485 7.927 1.00 0.00 O ATOM 1183 CB ILE A 75 3.756 5.844 5.906 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.408 5.876 4.521 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.306 4.710 6.773 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.636 6.788 4.515 1.00 0.00 C ATOM 0 H ILE A 75 2.093 7.824 5.483 1.00 0.00 H new ATOM 0 HA ILE A 75 2.030 4.873 5.188 1.00 0.00 H new ATOM 0 HB ILE A 75 4.009 6.781 6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.698 4.867 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.686 6.227 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.391 4.795 6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.877 4.775 7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.043 3.751 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.081 6.793 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.338 7.801 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.366 6.420 5.236 1.00 0.00 H new ATOM 1198 N MET A 76 1.071 4.326 7.346 1.00 0.00 N ATOM 1199 CA MET A 76 0.379 3.988 8.578 1.00 0.00 C ATOM 1200 C MET A 76 1.346 3.394 9.605 1.00 0.00 C ATOM 1201 O MET A 76 1.653 4.027 10.614 1.00 0.00 O ATOM 1202 CB MET A 76 -0.732 2.980 8.280 1.00 0.00 C ATOM 1203 CG MET A 76 -1.610 2.751 9.511 1.00 0.00 C ATOM 1204 SD MET A 76 -3.156 3.626 9.330 1.00 0.00 S ATOM 1205 CE MET A 76 -4.297 2.343 9.820 1.00 0.00 C ATOM 0 H MET A 76 1.168 3.555 6.686 1.00 0.00 H new ATOM 0 HA MET A 76 -0.048 4.900 8.994 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.345 3.342 7.454 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.294 2.034 7.961 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.799 1.685 9.640 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.091 3.094 10.406 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.317 2.723 9.764 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.191 1.488 9.153 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.080 2.034 10.843 1.00 0.00 H new ATOM 1215 N ILE A 77 1.800 2.184 9.312 1.00 0.00 N ATOM 1216 CA ILE A 77 2.725 1.497 10.196 1.00 0.00 C ATOM 1217 C ILE A 77 4.051 1.272 9.465 1.00 0.00 C ATOM 1218 O ILE A 77 4.096 1.289 8.236 1.00 0.00 O ATOM 1219 CB ILE A 77 2.095 0.213 10.737 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.050 -0.505 11.695 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.639 -0.698 9.595 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.321 0.347 12.937 1.00 0.00 C ATOM 0 H ILE A 77 1.544 1.662 8.474 1.00 0.00 H new ATOM 0 HA ILE A 77 2.943 2.110 11.070 1.00 0.00 H new ATOM 0 HB ILE A 77 1.207 0.483 11.308 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.622 -1.462 11.992 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.989 -0.721 11.185 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.195 -1.604 10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.901 -0.176 8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.497 -0.964 8.977 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.002 -0.185 13.602 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.771 1.293 12.638 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.383 0.540 13.457 1.00 0.00 H new ATOM 1234 N GLU A 78 5.096 1.065 10.252 1.00 0.00 N ATOM 1235 CA GLU A 78 6.418 0.836 9.695 1.00 0.00 C ATOM 1236 C GLU A 78 6.991 -0.484 10.212 1.00 0.00 C ATOM 1237 O GLU A 78 6.257 -1.452 10.402 1.00 0.00 O ATOM 1238 CB GLU A 78 7.356 2.003 10.013 1.00 0.00 C ATOM 1239 CG GLU A 78 8.413 2.171 8.920 1.00 0.00 C ATOM 1240 CD GLU A 78 8.102 3.382 8.038 1.00 0.00 C ATOM 1241 OE1 GLU A 78 6.903 3.720 7.940 1.00 0.00 O ATOM 1242 OE2 GLU A 78 9.071 3.943 7.481 1.00 0.00 O ATOM 0 H GLU A 78 5.054 1.051 11.271 1.00 0.00 H new ATOM 0 HA GLU A 78 6.328 0.770 8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.778 2.922 10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.844 1.831 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.396 2.291 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.453 1.271 8.307 1.00 0.00 H new