USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 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 43 ASN : amide:sc= -2.87 K(o=-4.7,f=-5.4!) USER MOD Set 1.2: A 50 SER OG : rot -102:sc= -1.8 USER MOD Set 2.1: A 31 MET CE :methyl 178:sc= -7.73! (180deg=-7.31!) USER MOD Set 2.2: A 39 CYS SG : rot -174:sc= -1.45 USER MOD Set 3.1: A 18 GLN : amide:sc= -1.77 K(o=-3.6,f=-9.6!) USER MOD Set 3.2: A 37 GLN : amide:sc= -1.81 K(o=-3.6,f=-8.4!) USER MOD Set 3.3: A 41 GLN : amide:sc= -0.0116 K(o=-3.6,f=-7.3!) USER MOD Set 4.1: A 27 THR OG1 : rot 180:sc= -0.138 USER MOD Set 4.2: A 28 GLN :FLIP amide:sc= -1.32 F(o=-3.4!,f=-1.5) USER MOD Single : A 15 SER OG : rot 180:sc= -0.889 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -148:sc= -3.84! (180deg=-5.75!) USER MOD Single : A 23 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.5!) USER MOD Single : A 26 SER OG : rot 170:sc= 0 USER MOD Single : A 29 SER OG : rot -48:sc= 0.0483 USER MOD Single : A 32 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5!) USER MOD Single : A 36 SER OG : rot -102:sc= -1.34! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.75) USER MOD Single : A 47 TYR OH : rot 82:sc= -3.64! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0011 K(o=-0.0011,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot -9:sc= 0.239 USER MOD Single : A 56 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= -6.6! (180deg=-9.31!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.131 (180deg=-0.131) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 15.966 1.561 2.203 1.00 0.00 N ATOM 161 CA LEU A 14 14.832 2.384 2.609 1.00 0.00 C ATOM 162 C LEU A 14 15.279 3.506 3.544 1.00 0.00 C ATOM 163 O LEU A 14 16.453 3.875 3.574 1.00 0.00 O ATOM 164 CB LEU A 14 13.766 1.520 3.291 1.00 0.00 C ATOM 165 CG LEU A 14 12.354 1.612 2.698 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.378 0.821 3.547 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.894 3.055 2.553 1.00 0.00 C ATOM 0 HA LEU A 14 14.402 2.836 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 14 14.089 0.480 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.717 1.800 4.343 1.00 0.00 H new ATOM 0 HG LEU A 14 12.384 1.181 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.379 0.894 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.685 -0.224 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.367 1.224 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.890 3.076 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.885 3.534 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.577 3.590 1.893 1.00 0.00 H new ATOM 179 N SER A 15 14.327 4.046 4.293 1.00 0.00 N ATOM 180 CA SER A 15 14.581 5.137 5.225 1.00 0.00 C ATOM 181 C SER A 15 13.260 5.568 5.854 1.00 0.00 C ATOM 182 O SER A 15 12.247 4.906 5.659 1.00 0.00 O ATOM 183 CB SER A 15 15.241 6.305 4.480 1.00 0.00 C ATOM 184 OG SER A 15 14.278 7.259 4.063 1.00 0.00 O ATOM 0 H SER A 15 13.354 3.739 4.272 1.00 0.00 H new ATOM 0 HA SER A 15 15.257 4.810 6.015 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.975 6.785 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.781 5.927 3.612 1.00 0.00 H new ATOM 0 HG SER A 15 14.727 7.993 3.593 1.00 0.00 H new ATOM 190 N PRO A 16 13.231 6.676 6.611 1.00 0.00 N ATOM 191 CA PRO A 16 11.993 7.155 7.231 1.00 0.00 C ATOM 192 C PRO A 16 10.841 7.201 6.226 1.00 0.00 C ATOM 193 O PRO A 16 9.674 7.120 6.603 1.00 0.00 O ATOM 194 CB PRO A 16 12.363 8.559 7.707 1.00 0.00 C ATOM 195 CG PRO A 16 13.832 8.491 7.949 1.00 0.00 C ATOM 196 CD PRO A 16 14.379 7.544 6.922 1.00 0.00 C ATOM 0 HA PRO A 16 11.644 6.505 8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.118 9.311 6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.822 8.827 8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.289 9.476 7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.045 8.137 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.734 8.072 6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.221 6.972 7.311 1.00 0.00 H new ATOM 204 N GLU A 17 11.189 7.310 4.942 1.00 0.00 N ATOM 205 CA GLU A 17 10.222 7.345 3.852 1.00 0.00 C ATOM 206 C GLU A 17 9.108 6.334 4.074 1.00 0.00 C ATOM 207 O GLU A 17 7.926 6.618 3.881 1.00 0.00 O ATOM 208 CB GLU A 17 10.995 7.048 2.539 1.00 0.00 C ATOM 209 CG GLU A 17 10.401 5.993 1.573 1.00 0.00 C ATOM 210 CD GLU A 17 10.346 6.492 0.142 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.407 7.246 -0.188 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.243 6.129 -0.648 1.00 0.00 O ATOM 0 H GLU A 17 12.158 7.377 4.631 1.00 0.00 H new ATOM 0 HA GLU A 17 9.745 8.324 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.096 7.985 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.001 6.726 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.002 5.085 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.396 5.727 1.902 1.00 0.00 H new ATOM 219 N GLN A 18 9.529 5.141 4.417 1.00 0.00 N ATOM 220 CA GLN A 18 8.634 4.027 4.605 1.00 0.00 C ATOM 221 C GLN A 18 7.464 4.341 5.503 1.00 0.00 C ATOM 222 O GLN A 18 6.336 3.989 5.197 1.00 0.00 O ATOM 223 CB GLN A 18 9.381 2.840 5.180 1.00 0.00 C ATOM 224 CG GLN A 18 8.561 1.578 5.134 1.00 0.00 C ATOM 225 CD GLN A 18 8.865 0.632 6.280 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.673 -0.286 6.145 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.220 0.856 7.419 1.00 0.00 N ATOM 0 H GLN A 18 10.511 4.915 4.575 1.00 0.00 H new ATOM 0 HA GLN A 18 8.238 3.795 3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.307 2.691 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.660 3.053 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.503 1.838 5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.744 1.066 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.558 1.629 7.487 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.386 0.255 8.226 1.00 0.00 H new ATOM 236 N GLN A 19 7.737 4.960 6.621 1.00 0.00 N ATOM 237 CA GLN A 19 6.681 5.275 7.572 1.00 0.00 C ATOM 238 C GLN A 19 5.951 6.541 7.174 1.00 0.00 C ATOM 239 O GLN A 19 4.778 6.720 7.498 1.00 0.00 O ATOM 240 CB GLN A 19 7.247 5.406 8.987 1.00 0.00 C ATOM 241 CG GLN A 19 7.483 4.072 9.674 1.00 0.00 C ATOM 242 CD GLN A 19 7.484 4.187 11.186 1.00 0.00 C ATOM 243 OE1 GLN A 19 8.511 4.487 11.796 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.331 3.947 11.800 1.00 0.00 N ATOM 0 H GLN A 19 8.671 5.258 6.903 1.00 0.00 H new ATOM 0 HA GLN A 19 5.966 4.453 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.188 5.954 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.560 5.999 9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.710 3.368 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.437 3.661 9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.504 3.702 11.255 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.272 4.008 12.816 1.00 0.00 H new ATOM 253 N GLU A 20 6.637 7.406 6.448 1.00 0.00 N ATOM 254 CA GLU A 20 6.029 8.634 5.990 1.00 0.00 C ATOM 255 C GLU A 20 4.897 8.302 5.034 1.00 0.00 C ATOM 256 O GLU A 20 3.938 9.064 4.900 1.00 0.00 O ATOM 257 CB GLU A 20 7.064 9.525 5.299 1.00 0.00 C ATOM 258 CG GLU A 20 7.785 10.468 6.249 1.00 0.00 C ATOM 259 CD GLU A 20 7.155 11.847 6.290 1.00 0.00 C ATOM 260 OE1 GLU A 20 5.909 11.931 6.303 1.00 0.00 O ATOM 261 OE2 GLU A 20 7.909 12.843 6.308 1.00 0.00 O ATOM 0 H GLU A 20 7.609 7.279 6.166 1.00 0.00 H new ATOM 0 HA GLU A 20 5.635 9.180 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.799 8.894 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.568 10.111 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.781 10.041 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.828 10.558 5.945 1.00 0.00 H new ATOM 268 N MET A 21 5.021 7.162 4.354 1.00 0.00 N ATOM 269 CA MET A 21 4.017 6.743 3.401 1.00 0.00 C ATOM 270 C MET A 21 3.101 5.664 3.953 1.00 0.00 C ATOM 271 O MET A 21 1.911 5.895 4.090 1.00 0.00 O ATOM 272 CB MET A 21 4.722 6.266 2.146 1.00 0.00 C ATOM 273 CG MET A 21 5.275 7.421 1.345 1.00 0.00 C ATOM 274 SD MET A 21 5.507 7.046 -0.398 1.00 0.00 S ATOM 275 CE MET A 21 5.881 8.681 -1.027 1.00 0.00 C ATOM 0 H MET A 21 5.808 6.520 4.451 1.00 0.00 H new ATOM 0 HA MET A 21 3.374 7.593 3.176 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.533 5.590 2.418 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.025 5.697 1.531 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.600 8.272 1.438 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.231 7.724 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.508 8.772 -2.047 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.403 9.431 -0.397 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.960 8.836 -1.020 1.00 0.00 H new ATOM 285 N LEU A 22 3.664 4.492 4.245 1.00 0.00 N ATOM 286 CA LEU A 22 2.908 3.339 4.767 1.00 0.00 C ATOM 287 C LEU A 22 1.657 3.740 5.552 1.00 0.00 C ATOM 288 O LEU A 22 0.578 3.195 5.329 1.00 0.00 O ATOM 289 CB LEU A 22 3.797 2.477 5.667 1.00 0.00 C ATOM 290 CG LEU A 22 4.425 1.259 4.990 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.514 0.663 5.868 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.358 0.221 4.686 1.00 0.00 C ATOM 0 H LEU A 22 4.660 4.308 4.128 1.00 0.00 H new ATOM 0 HA LEU A 22 2.584 2.775 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.596 3.102 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.204 2.135 6.516 1.00 0.00 H new ATOM 0 HG LEU A 22 4.879 1.577 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.950 -0.203 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.289 1.409 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.085 0.355 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.817 -0.642 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.881 -0.093 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.610 0.652 4.021 1.00 0.00 H new ATOM 304 N GLN A 23 1.811 4.682 6.475 1.00 0.00 N ATOM 305 CA GLN A 23 0.689 5.130 7.289 1.00 0.00 C ATOM 306 C GLN A 23 -0.432 5.694 6.422 1.00 0.00 C ATOM 307 O GLN A 23 -1.575 5.243 6.498 1.00 0.00 O ATOM 308 CB GLN A 23 1.142 6.188 8.296 1.00 0.00 C ATOM 309 CG GLN A 23 -0.005 6.810 9.077 1.00 0.00 C ATOM 310 CD GLN A 23 0.065 6.508 10.560 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.853 5.670 10.999 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.760 7.193 11.344 1.00 0.00 N ATOM 0 H GLN A 23 2.696 5.147 6.677 1.00 0.00 H new ATOM 0 HA GLN A 23 0.308 4.263 7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.845 5.735 8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.680 6.975 7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.004 7.890 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.951 6.442 8.680 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.397 7.879 10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.756 7.034 12.351 1.00 0.00 H new ATOM 321 N ALA A 24 -0.102 6.689 5.608 1.00 0.00 N ATOM 322 CA ALA A 24 -1.088 7.320 4.742 1.00 0.00 C ATOM 323 C ALA A 24 -1.497 6.410 3.580 1.00 0.00 C ATOM 324 O ALA A 24 -2.474 6.685 2.887 1.00 0.00 O ATOM 325 CB ALA A 24 -0.548 8.641 4.224 1.00 0.00 C ATOM 0 H ALA A 24 0.839 7.075 5.530 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.985 7.504 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.290 9.109 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.333 9.301 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.367 8.463 3.658 1.00 0.00 H new ATOM 331 N PHE A 25 -0.754 5.325 3.377 1.00 0.00 N ATOM 332 CA PHE A 25 -1.047 4.383 2.308 1.00 0.00 C ATOM 333 C PHE A 25 -2.066 3.354 2.775 1.00 0.00 C ATOM 334 O PHE A 25 -2.819 2.803 1.978 1.00 0.00 O ATOM 335 CB PHE A 25 0.238 3.682 1.863 1.00 0.00 C ATOM 336 CG PHE A 25 0.085 2.852 0.618 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.704 1.709 0.610 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.737 3.215 -0.548 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.837 0.948 -0.540 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.607 2.459 -1.697 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.181 1.325 -1.691 1.00 0.00 C ATOM 0 H PHE A 25 0.058 5.079 3.943 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.465 4.931 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.009 4.433 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.589 3.042 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.220 1.410 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.355 4.101 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.454 0.061 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.121 2.755 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.283 0.734 -2.589 1.00 0.00 H new ATOM 351 N SER A 26 -2.081 3.103 4.079 1.00 0.00 N ATOM 352 CA SER A 26 -3.008 2.146 4.663 1.00 0.00 C ATOM 353 C SER A 26 -4.448 2.621 4.478 1.00 0.00 C ATOM 354 O SER A 26 -5.355 1.820 4.252 1.00 0.00 O ATOM 355 CB SER A 26 -2.679 1.947 6.151 1.00 0.00 C ATOM 356 OG SER A 26 -3.782 2.257 6.988 1.00 0.00 O ATOM 0 H SER A 26 -1.459 3.551 4.752 1.00 0.00 H new ATOM 0 HA SER A 26 -2.904 1.188 4.154 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.376 0.914 6.320 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.831 2.576 6.422 1.00 0.00 H new ATOM 0 HG SER A 26 -3.589 1.967 7.904 1.00 0.00 H new ATOM 362 N THR A 27 -4.644 3.931 4.581 1.00 0.00 N ATOM 363 CA THR A 27 -5.970 4.524 4.430 1.00 0.00 C ATOM 364 C THR A 27 -6.515 4.343 3.011 1.00 0.00 C ATOM 365 O THR A 27 -7.707 4.534 2.775 1.00 0.00 O ATOM 366 CB THR A 27 -5.925 6.012 4.782 1.00 0.00 C ATOM 367 OG1 THR A 27 -4.881 6.661 4.079 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.717 6.271 6.258 1.00 0.00 C ATOM 0 H THR A 27 -3.901 4.604 4.769 1.00 0.00 H new ATOM 0 HA THR A 27 -6.641 4.006 5.115 1.00 0.00 H new ATOM 0 HB THR A 27 -6.899 6.408 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.869 7.612 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.695 7.346 6.439 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.534 5.824 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.772 5.830 6.575 1.00 0.00 H new ATOM 376 N GLN A 28 -5.642 3.983 2.069 1.00 0.00 N ATOM 377 CA GLN A 28 -6.055 3.788 0.677 1.00 0.00 C ATOM 378 C GLN A 28 -7.319 2.928 0.592 1.00 0.00 C ATOM 379 O GLN A 28 -8.427 3.441 0.742 1.00 0.00 O ATOM 380 CB GLN A 28 -4.916 3.153 -0.133 1.00 0.00 C ATOM 381 CG GLN A 28 -3.921 4.134 -0.766 1.00 0.00 C ATOM 382 CD GLN A 28 -4.103 5.587 -0.350 1.00 0.00 C ATOM 383 OE1 GLN A 28 -3.820 5.880 0.913 1.00 0.00 O flip ATOM 384 NE2 GLN A 28 -4.495 6.431 -1.156 1.00 0.00 N flip ATOM 0 H GLN A 28 -4.650 3.821 2.242 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.285 4.765 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.365 2.476 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.353 2.546 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.910 3.821 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.008 4.068 -1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.701 6.161 -2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.614 7.400 -0.862 1.00 0.00 H new ATOM 393 N SER A 29 -7.164 1.620 0.365 1.00 0.00 N ATOM 394 CA SER A 29 -8.322 0.742 0.287 1.00 0.00 C ATOM 395 C SER A 29 -8.698 0.220 1.674 1.00 0.00 C ATOM 396 O SER A 29 -9.562 -0.649 1.804 1.00 0.00 O ATOM 397 CB SER A 29 -8.067 -0.433 -0.660 1.00 0.00 C ATOM 398 OG SER A 29 -9.287 -0.958 -1.155 1.00 0.00 O ATOM 0 H SER A 29 -6.264 1.158 0.235 1.00 0.00 H new ATOM 0 HA SER A 29 -9.152 1.328 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.443 -0.106 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.516 -1.214 -0.136 1.00 0.00 H new ATOM 0 HG SER A 29 -9.912 -1.090 -0.412 1.00 0.00 H new ATOM 404 N GLY A 30 -8.043 0.748 2.711 1.00 0.00 N ATOM 405 CA GLY A 30 -8.321 0.315 4.065 1.00 0.00 C ATOM 406 C GLY A 30 -7.434 -0.838 4.505 1.00 0.00 C ATOM 407 O GLY A 30 -7.678 -1.448 5.545 1.00 0.00 O ATOM 0 H GLY A 30 -7.325 1.468 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.183 1.155 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.366 0.013 4.138 1.00 0.00 H new ATOM 411 N MET A 31 -6.407 -1.142 3.710 1.00 0.00 N ATOM 412 CA MET A 31 -5.492 -2.238 4.022 1.00 0.00 C ATOM 413 C MET A 31 -4.852 -2.063 5.401 1.00 0.00 C ATOM 414 O MET A 31 -5.348 -1.313 6.242 1.00 0.00 O ATOM 415 CB MET A 31 -4.405 -2.344 2.940 1.00 0.00 C ATOM 416 CG MET A 31 -3.248 -1.369 3.124 1.00 0.00 C ATOM 417 SD MET A 31 -2.269 -1.139 1.628 1.00 0.00 S ATOM 418 CE MET A 31 -1.915 -2.835 1.176 1.00 0.00 C ATOM 0 H MET A 31 -6.189 -0.645 2.847 1.00 0.00 H new ATOM 0 HA MET A 31 -6.071 -3.161 4.041 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.012 -3.361 2.933 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.860 -2.172 1.965 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.642 -0.404 3.445 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.600 -1.730 3.923 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.345 -2.853 0.247 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.334 -3.309 1.967 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.850 -3.378 1.038 1.00 0.00 H new ATOM 428 N ASN A 32 -3.738 -2.762 5.614 1.00 0.00 N ATOM 429 CA ASN A 32 -3.009 -2.695 6.874 1.00 0.00 C ATOM 430 C ASN A 32 -1.824 -1.743 6.765 1.00 0.00 C ATOM 431 O ASN A 32 -1.666 -1.048 5.761 1.00 0.00 O ATOM 432 CB ASN A 32 -2.519 -4.077 7.260 1.00 0.00 C ATOM 433 CG ASN A 32 -3.052 -4.558 8.586 1.00 0.00 C ATOM 434 OD1 ASN A 32 -3.890 -3.913 9.216 1.00 0.00 O ATOM 435 ND2 ASN A 32 -2.553 -5.708 9.010 1.00 0.00 N ATOM 0 H ASN A 32 -3.320 -3.385 4.923 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.686 -2.320 7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.807 -4.786 6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.430 -4.070 7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.861 -6.101 9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.860 -6.202 8.447 1.00 0.00 H new ATOM 442 N LEU A 33 -0.987 -1.723 7.796 1.00 0.00 N ATOM 443 CA LEU A 33 0.189 -0.861 7.806 1.00 0.00 C ATOM 444 C LEU A 33 1.461 -1.655 7.501 1.00 0.00 C ATOM 445 O LEU A 33 2.569 -1.183 7.759 1.00 0.00 O ATOM 446 CB LEU A 33 0.321 -0.163 9.161 1.00 0.00 C ATOM 447 CG LEU A 33 0.359 1.365 9.101 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.326 1.833 8.025 1.00 0.00 C ATOM 449 CD2 LEU A 33 -1.035 1.921 8.847 1.00 0.00 C ATOM 0 H LEU A 33 -1.101 -2.293 8.634 1.00 0.00 H new ATOM 0 HA LEU A 33 0.062 -0.110 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.515 -0.466 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.231 -0.515 9.647 1.00 0.00 H new ATOM 0 HG LEU A 33 0.710 1.740 10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.340 2.923 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.327 1.463 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.006 1.449 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.991 3.009 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.412 1.538 7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.702 1.614 9.653 1.00 0.00 H new ATOM 461 N GLU A 34 1.300 -2.861 6.958 1.00 0.00 N ATOM 462 CA GLU A 34 2.447 -3.705 6.630 1.00 0.00 C ATOM 463 C GLU A 34 2.412 -4.162 5.175 1.00 0.00 C ATOM 464 O GLU A 34 3.457 -4.299 4.540 1.00 0.00 O ATOM 465 CB GLU A 34 2.501 -4.918 7.560 1.00 0.00 C ATOM 466 CG GLU A 34 1.208 -5.718 7.592 1.00 0.00 C ATOM 467 CD GLU A 34 1.081 -6.568 8.841 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.117 -5.999 9.952 1.00 0.00 O ATOM 469 OE2 GLU A 34 0.943 -7.802 8.708 1.00 0.00 O ATOM 0 H GLU A 34 0.393 -3.273 6.737 1.00 0.00 H new ATOM 0 HA GLU A 34 3.346 -3.105 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.315 -5.571 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.735 -4.581 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.361 -5.035 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.160 -6.361 6.713 1.00 0.00 H new ATOM 476 N TRP A 35 1.216 -4.374 4.640 1.00 0.00 N ATOM 477 CA TRP A 35 1.087 -4.785 3.248 1.00 0.00 C ATOM 478 C TRP A 35 1.299 -3.573 2.353 1.00 0.00 C ATOM 479 O TRP A 35 1.790 -3.686 1.230 1.00 0.00 O ATOM 480 CB TRP A 35 -0.279 -5.414 2.970 1.00 0.00 C ATOM 481 CG TRP A 35 -0.744 -6.358 4.028 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.138 -6.070 5.298 1.00 0.00 C ATOM 483 CD2 TRP A 35 -0.867 -7.755 3.884 1.00 0.00 C ATOM 484 NE1 TRP A 35 -1.518 -7.212 5.945 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.348 -8.268 5.094 1.00 0.00 C ATOM 486 CE3 TRP A 35 -0.615 -8.615 2.838 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -1.581 -9.619 5.281 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -0.849 -9.966 3.021 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.326 -10.456 4.235 1.00 0.00 C ATOM 0 H TRP A 35 0.333 -4.270 5.140 1.00 0.00 H new ATOM 0 HA TRP A 35 1.842 -5.542 3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.017 -4.619 2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.235 -5.945 2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.149 -5.081 5.732 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.869 -7.267 6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.243 -8.242 1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.952 -9.997 6.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.659 -10.653 2.209 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.497 -11.516 4.349 1.00 0.00 H new ATOM 500 N SER A 36 0.935 -2.407 2.880 1.00 0.00 N ATOM 501 CA SER A 36 1.090 -1.152 2.161 1.00 0.00 C ATOM 502 C SER A 36 2.546 -0.948 1.753 1.00 0.00 C ATOM 503 O SER A 36 2.834 -0.289 0.754 1.00 0.00 O ATOM 504 CB SER A 36 0.620 0.013 3.036 1.00 0.00 C ATOM 505 OG SER A 36 0.747 -0.299 4.413 1.00 0.00 O ATOM 0 H SER A 36 0.528 -2.308 3.810 1.00 0.00 H new ATOM 0 HA SER A 36 0.479 -1.188 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.205 0.903 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.420 0.247 2.807 1.00 0.00 H new ATOM 0 HG SER A 36 -0.131 -0.539 4.776 1.00 0.00 H new ATOM 511 N GLN A 37 3.465 -1.515 2.536 1.00 0.00 N ATOM 512 CA GLN A 37 4.892 -1.390 2.253 1.00 0.00 C ATOM 513 C GLN A 37 5.233 -1.984 0.889 1.00 0.00 C ATOM 514 O GLN A 37 5.844 -1.324 0.049 1.00 0.00 O ATOM 515 CB GLN A 37 5.716 -2.079 3.348 1.00 0.00 C ATOM 516 CG GLN A 37 7.195 -2.210 3.013 1.00 0.00 C ATOM 517 CD GLN A 37 8.092 -1.998 4.216 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.617 -1.778 5.330 1.00 0.00 O ATOM 519 NE2 GLN A 37 9.400 -2.062 3.994 1.00 0.00 N ATOM 0 H GLN A 37 3.246 -2.063 3.368 1.00 0.00 H new ATOM 0 HA GLN A 37 5.141 -0.329 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.612 -1.517 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.305 -3.072 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.382 -3.200 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.453 -1.485 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.749 -2.247 3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.055 -1.926 4.764 1.00 0.00 H new ATOM 528 N LYS A 38 4.838 -3.235 0.678 1.00 0.00 N ATOM 529 CA LYS A 38 5.107 -3.914 -0.585 1.00 0.00 C ATOM 530 C LYS A 38 4.636 -3.069 -1.761 1.00 0.00 C ATOM 531 O LYS A 38 5.317 -2.970 -2.781 1.00 0.00 O ATOM 532 CB LYS A 38 4.422 -5.281 -0.613 1.00 0.00 C ATOM 533 CG LYS A 38 5.347 -6.432 -0.254 1.00 0.00 C ATOM 534 CD LYS A 38 4.570 -7.629 0.270 1.00 0.00 C ATOM 535 CE LYS A 38 5.316 -8.930 0.023 1.00 0.00 C ATOM 536 NZ LYS A 38 4.530 -10.114 0.465 1.00 0.00 N ATOM 0 H LYS A 38 4.332 -3.798 1.362 1.00 0.00 H new ATOM 0 HA LYS A 38 6.184 -4.059 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.581 -5.271 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.012 -5.452 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.921 -6.726 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.063 -6.103 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.391 -7.508 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.594 -7.671 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.544 -9.022 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.268 -8.908 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.074 -10.981 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.334 -10.040 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.632 -10.150 -0.059 1.00 0.00 H new ATOM 550 N CYS A 39 3.470 -2.456 -1.605 1.00 0.00 N ATOM 551 CA CYS A 39 2.909 -1.610 -2.648 1.00 0.00 C ATOM 552 C CYS A 39 3.805 -0.404 -2.895 1.00 0.00 C ATOM 553 O CYS A 39 3.969 0.042 -4.029 1.00 0.00 O ATOM 554 CB CYS A 39 1.508 -1.143 -2.253 1.00 0.00 C ATOM 555 SG CYS A 39 0.360 -2.490 -1.882 1.00 0.00 S ATOM 0 H CYS A 39 2.895 -2.529 -0.766 1.00 0.00 H new ATOM 0 HA CYS A 39 2.844 -2.193 -3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.585 -0.495 -1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.096 -0.541 -3.062 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.831 -2.005 -1.690 1.00 0.00 H new ATOM 561 N LEU A 40 4.378 0.118 -1.817 1.00 0.00 N ATOM 562 CA LEU A 40 5.259 1.277 -1.899 1.00 0.00 C ATOM 563 C LEU A 40 6.718 0.876 -2.029 1.00 0.00 C ATOM 564 O LEU A 40 7.610 1.696 -1.848 1.00 0.00 O ATOM 565 CB LEU A 40 5.097 2.137 -0.662 1.00 0.00 C ATOM 566 CG LEU A 40 3.737 2.791 -0.513 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.299 2.732 0.921 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.809 4.223 -0.981 1.00 0.00 C ATOM 0 H LEU A 40 4.248 -0.244 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 40 4.976 1.834 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.287 1.522 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.859 2.916 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 40 3.009 2.257 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.321 3.203 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.235 1.692 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.022 3.258 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.830 4.691 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.539 4.766 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.110 4.249 -2.028 1.00 0.00 H new ATOM 580 N GLN A 41 6.964 -0.382 -2.334 1.00 0.00 N ATOM 581 CA GLN A 41 8.328 -0.861 -2.485 1.00 0.00 C ATOM 582 C GLN A 41 8.592 -1.300 -3.926 1.00 0.00 C ATOM 583 O GLN A 41 9.744 -1.416 -4.345 1.00 0.00 O ATOM 584 CB GLN A 41 8.604 -2.007 -1.510 1.00 0.00 C ATOM 585 CG GLN A 41 8.747 -1.555 -0.067 1.00 0.00 C ATOM 586 CD GLN A 41 10.165 -1.701 0.452 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.935 -0.742 0.465 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.515 -2.908 0.883 1.00 0.00 N ATOM 0 H GLN A 41 6.244 -1.089 -2.482 1.00 0.00 H new ATOM 0 HA GLN A 41 9.007 -0.041 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.793 -2.733 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.517 -2.520 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.439 -0.513 0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.072 -2.137 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.843 -3.675 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.456 -3.068 1.243 1.00 0.00 H new ATOM 597 N ASP A 42 7.520 -1.526 -4.686 1.00 0.00 N ATOM 598 CA ASP A 42 7.641 -1.930 -6.080 1.00 0.00 C ATOM 599 C ASP A 42 7.755 -0.701 -6.976 1.00 0.00 C ATOM 600 O ASP A 42 8.461 -0.714 -7.983 1.00 0.00 O ATOM 601 CB ASP A 42 6.435 -2.773 -6.499 1.00 0.00 C ATOM 602 CG ASP A 42 6.750 -4.255 -6.534 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.707 -4.675 -5.850 1.00 0.00 O ATOM 604 OD2 ASP A 42 6.038 -4.996 -7.244 1.00 0.00 O ATOM 0 H ASP A 42 6.559 -1.435 -4.356 1.00 0.00 H new ATOM 0 HA ASP A 42 8.543 -2.532 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.613 -2.595 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.096 -2.453 -7.484 1.00 0.00 H new ATOM 609 N ASN A 43 7.060 0.367 -6.588 1.00 0.00 N ATOM 610 CA ASN A 43 7.087 1.615 -7.343 1.00 0.00 C ATOM 611 C ASN A 43 8.111 2.592 -6.763 1.00 0.00 C ATOM 612 O ASN A 43 8.361 3.650 -7.341 1.00 0.00 O ATOM 613 CB ASN A 43 5.701 2.260 -7.360 1.00 0.00 C ATOM 614 CG ASN A 43 4.625 1.309 -7.849 1.00 0.00 C ATOM 615 OD1 ASN A 43 4.174 1.399 -8.991 1.00 0.00 O ATOM 616 ND2 ASN A 43 4.209 0.390 -6.985 1.00 0.00 N ATOM 0 H ASN A 43 6.472 0.391 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 43 7.382 1.378 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.450 2.602 -6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.721 3.141 -8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.488 -0.278 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.611 0.352 -6.048 1.00 0.00 H new ATOM 623 N ASN A 44 8.713 2.227 -5.625 1.00 0.00 N ATOM 624 CA ASN A 44 9.724 3.059 -4.970 1.00 0.00 C ATOM 625 C ASN A 44 9.102 4.142 -4.092 1.00 0.00 C ATOM 626 O ASN A 44 9.659 5.233 -3.966 1.00 0.00 O ATOM 627 CB ASN A 44 10.663 3.701 -6.000 1.00 0.00 C ATOM 628 CG ASN A 44 11.950 4.201 -5.375 1.00 0.00 C ATOM 629 OD1 ASN A 44 12.051 5.362 -4.976 1.00 0.00 O ATOM 630 ND2 ASN A 44 12.945 3.325 -5.286 1.00 0.00 N ATOM 0 H ASN A 44 8.514 1.354 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 44 10.300 2.395 -4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.898 2.973 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.151 4.532 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.835 3.605 -4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.818 2.373 -5.629 1.00 0.00 H new ATOM 637 N TRP A 45 7.969 3.841 -3.459 1.00 0.00 N ATOM 638 CA TRP A 45 7.328 4.800 -2.579 1.00 0.00 C ATOM 639 C TRP A 45 6.867 6.046 -3.318 1.00 0.00 C ATOM 640 O TRP A 45 7.068 7.164 -2.850 1.00 0.00 O ATOM 641 CB TRP A 45 8.280 5.155 -1.438 1.00 0.00 C ATOM 642 CG TRP A 45 8.667 3.934 -0.678 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.690 3.078 -0.967 1.00 0.00 C ATOM 644 CD2 TRP A 45 8.003 3.397 0.468 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.687 2.036 -0.077 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.665 2.217 0.812 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.909 3.796 1.240 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.269 1.440 1.878 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.516 3.020 2.297 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.193 1.857 2.608 1.00 0.00 C ATOM 0 H TRP A 45 7.484 2.947 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 45 6.429 4.338 -2.171 1.00 0.00 H new ATOM 0 HB2 TRP A 45 9.171 5.638 -1.838 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.803 5.870 -0.768 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.395 3.203 -1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.341 1.253 -0.078 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.379 4.707 1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.793 0.530 2.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.668 3.320 2.894 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.864 1.264 3.448 1.00 0.00 H new ATOM 661 N ASP A 46 6.205 5.845 -4.450 1.00 0.00 N ATOM 662 CA ASP A 46 5.665 6.963 -5.207 1.00 0.00 C ATOM 663 C ASP A 46 4.454 7.484 -4.461 1.00 0.00 C ATOM 664 O ASP A 46 4.202 8.688 -4.395 1.00 0.00 O ATOM 665 CB ASP A 46 5.284 6.534 -6.625 1.00 0.00 C ATOM 666 CG ASP A 46 6.196 7.134 -7.677 1.00 0.00 C ATOM 667 OD1 ASP A 46 7.238 7.711 -7.300 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.869 7.027 -8.877 1.00 0.00 O ATOM 0 H ASP A 46 6.031 4.927 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 46 6.417 7.746 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.320 5.447 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.255 6.832 -6.827 1.00 0.00 H new ATOM 673 N TYR A 47 3.731 6.539 -3.869 1.00 0.00 N ATOM 674 CA TYR A 47 2.551 6.812 -3.068 1.00 0.00 C ATOM 675 C TYR A 47 1.280 6.851 -3.899 1.00 0.00 C ATOM 676 O TYR A 47 0.187 6.616 -3.384 1.00 0.00 O ATOM 677 CB TYR A 47 2.680 8.108 -2.277 1.00 0.00 C ATOM 678 CG TYR A 47 1.635 8.209 -1.205 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.377 8.708 -1.503 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.891 7.780 0.094 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.604 8.783 -0.542 1.00 0.00 C ATOM 682 CE2 TYR A 47 0.912 7.855 1.065 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.335 8.358 0.740 1.00 0.00 C ATOM 684 OH TYR A 47 -1.317 8.434 1.697 1.00 0.00 O ATOM 0 H TYR A 47 3.955 5.546 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 47 2.478 5.980 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.671 8.162 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.591 8.958 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.163 9.044 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.864 7.385 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.580 9.173 -0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.119 7.523 2.072 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.911 7.659 1.618 1.00 0.00 H new ATOM 694 N THR A 48 1.417 7.149 -5.177 1.00 0.00 N ATOM 695 CA THR A 48 0.263 7.214 -6.055 1.00 0.00 C ATOM 696 C THR A 48 0.240 6.015 -6.989 1.00 0.00 C ATOM 697 O THR A 48 -0.773 5.329 -7.109 1.00 0.00 O ATOM 698 CB THR A 48 0.275 8.512 -6.863 1.00 0.00 C ATOM 699 OG1 THR A 48 1.026 9.510 -6.197 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.108 9.072 -7.118 1.00 0.00 C ATOM 0 H THR A 48 2.309 7.349 -5.629 1.00 0.00 H new ATOM 0 HA THR A 48 -0.637 7.196 -5.440 1.00 0.00 H new ATOM 0 HB THR A 48 0.726 8.251 -7.821 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.023 10.332 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.027 9.993 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.698 8.344 -7.675 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.596 9.283 -6.167 1.00 0.00 H new ATOM 708 N ARG A 49 1.368 5.761 -7.643 1.00 0.00 N ATOM 709 CA ARG A 49 1.477 4.634 -8.559 1.00 0.00 C ATOM 710 C ARG A 49 1.416 3.319 -7.797 1.00 0.00 C ATOM 711 O ARG A 49 0.991 2.297 -8.336 1.00 0.00 O ATOM 712 CB ARG A 49 2.774 4.720 -9.364 1.00 0.00 C ATOM 713 CG ARG A 49 2.602 4.385 -10.837 1.00 0.00 C ATOM 714 CD ARG A 49 2.136 2.951 -11.031 1.00 0.00 C ATOM 715 NE ARG A 49 2.428 2.459 -12.374 1.00 0.00 N ATOM 716 CZ ARG A 49 3.656 2.209 -12.816 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.701 2.405 -12.023 1.00 0.00 N ATOM 718 NH2 ARG A 49 3.840 1.762 -14.050 1.00 0.00 N ATOM 0 H ARG A 49 2.217 6.319 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 49 0.636 4.674 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.181 5.727 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.507 4.041 -8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.879 5.067 -11.284 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.547 4.535 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.622 2.309 -10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.063 2.890 -10.848 1.00 0.00 H new ATOM 0 HE ARG A 49 1.646 2.298 -13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.563 2.748 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.643 2.213 -12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.038 1.609 -14.662 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.783 1.571 -14.388 1.00 0.00 H new ATOM 732 N SER A 50 1.831 3.353 -6.535 1.00 0.00 N ATOM 733 CA SER A 50 1.805 2.163 -5.701 1.00 0.00 C ATOM 734 C SER A 50 0.374 1.831 -5.327 1.00 0.00 C ATOM 735 O SER A 50 -0.174 0.829 -5.775 1.00 0.00 O ATOM 736 CB SER A 50 2.647 2.367 -4.440 1.00 0.00 C ATOM 737 OG SER A 50 4.031 2.358 -4.739 1.00 0.00 O ATOM 0 H SER A 50 2.187 4.189 -6.072 1.00 0.00 H new ATOM 0 HA SER A 50 2.231 1.332 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.380 3.314 -3.971 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.423 1.580 -3.719 1.00 0.00 H new ATOM 0 HG SER A 50 4.413 1.490 -4.492 1.00 0.00 H new ATOM 743 N ALA A 51 -0.235 2.686 -4.512 1.00 0.00 N ATOM 744 CA ALA A 51 -1.616 2.480 -4.100 1.00 0.00 C ATOM 745 C ALA A 51 -2.560 2.461 -5.299 1.00 0.00 C ATOM 746 O ALA A 51 -3.700 2.017 -5.184 1.00 0.00 O ATOM 747 CB ALA A 51 -2.043 3.539 -3.100 1.00 0.00 C ATOM 0 H ALA A 51 0.204 3.522 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.673 1.505 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.078 3.366 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.402 3.488 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.956 4.526 -3.555 1.00 0.00 H new ATOM 753 N GLN A 52 -2.085 2.927 -6.458 1.00 0.00 N ATOM 754 CA GLN A 52 -2.911 2.926 -7.659 1.00 0.00 C ATOM 755 C GLN A 52 -3.003 1.512 -8.216 1.00 0.00 C ATOM 756 O GLN A 52 -4.068 1.069 -8.647 1.00 0.00 O ATOM 757 CB GLN A 52 -2.339 3.880 -8.714 1.00 0.00 C ATOM 758 CG GLN A 52 -2.983 3.740 -10.085 1.00 0.00 C ATOM 759 CD GLN A 52 -2.305 4.594 -11.138 1.00 0.00 C ATOM 760 OE1 GLN A 52 -1.265 5.202 -10.885 1.00 0.00 O ATOM 761 NE2 GLN A 52 -2.893 4.643 -12.328 1.00 0.00 N ATOM 0 H GLN A 52 -1.146 3.304 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.910 3.274 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.464 4.906 -8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.267 3.703 -8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.949 2.695 -10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.035 4.019 -10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.755 4.123 -12.493 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.483 5.201 -13.077 1.00 0.00 H new ATOM 770 N ALA A 53 -1.881 0.797 -8.183 1.00 0.00 N ATOM 771 CA ALA A 53 -1.841 -0.579 -8.661 1.00 0.00 C ATOM 772 C ALA A 53 -2.418 -1.521 -7.611 1.00 0.00 C ATOM 773 O ALA A 53 -2.880 -2.618 -7.926 1.00 0.00 O ATOM 774 CB ALA A 53 -0.414 -0.976 -8.997 1.00 0.00 C ATOM 0 H ALA A 53 -0.990 1.148 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.447 -0.653 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.397 -2.006 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.026 -0.317 -9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.207 -0.890 -8.105 1.00 0.00 H new ATOM 780 N PHE A 54 -2.390 -1.074 -6.360 1.00 0.00 N ATOM 781 CA PHE A 54 -2.906 -1.848 -5.248 1.00 0.00 C ATOM 782 C PHE A 54 -4.433 -1.809 -5.252 1.00 0.00 C ATOM 783 O PHE A 54 -5.088 -2.795 -4.929 1.00 0.00 O ATOM 784 CB PHE A 54 -2.318 -1.291 -3.930 1.00 0.00 C ATOM 785 CG PHE A 54 -3.290 -1.136 -2.789 1.00 0.00 C ATOM 786 CD1 PHE A 54 -4.204 -0.093 -2.776 1.00 0.00 C ATOM 787 CD2 PHE A 54 -3.277 -2.026 -1.731 1.00 0.00 C ATOM 788 CE1 PHE A 54 -5.082 0.059 -1.720 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.158 -1.883 -0.679 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.057 -0.836 -0.674 1.00 0.00 C ATOM 0 H PHE A 54 -2.009 -0.166 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.607 -2.892 -5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.511 -1.950 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.872 -0.318 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.230 0.607 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.570 -2.842 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.786 0.878 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.144 -2.589 0.139 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.742 -0.718 0.152 1.00 0.00 H new ATOM 800 N THR A 55 -4.987 -0.657 -5.619 1.00 0.00 N ATOM 801 CA THR A 55 -6.431 -0.491 -5.660 1.00 0.00 C ATOM 802 C THR A 55 -7.050 -1.459 -6.657 1.00 0.00 C ATOM 803 O THR A 55 -8.126 -2.007 -6.422 1.00 0.00 O ATOM 804 CB THR A 55 -6.797 0.943 -6.031 1.00 0.00 C ATOM 805 OG1 THR A 55 -6.082 1.364 -7.179 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.519 1.938 -4.925 1.00 0.00 C ATOM 0 H THR A 55 -4.457 0.171 -5.891 1.00 0.00 H new ATOM 0 HA THR A 55 -6.826 -0.707 -4.667 1.00 0.00 H new ATOM 0 HB THR A 55 -7.870 0.926 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.399 0.697 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.802 2.937 -5.255 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.098 1.670 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.457 1.924 -4.681 1.00 0.00 H new ATOM 814 N HIS A 56 -6.358 -1.667 -7.769 1.00 0.00 N ATOM 815 CA HIS A 56 -6.832 -2.574 -8.803 1.00 0.00 C ATOM 816 C HIS A 56 -6.903 -4.001 -8.272 1.00 0.00 C ATOM 817 O HIS A 56 -7.670 -4.823 -8.771 1.00 0.00 O ATOM 818 CB HIS A 56 -5.902 -2.523 -10.012 1.00 0.00 C ATOM 819 CG HIS A 56 -6.458 -3.199 -11.227 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.685 -3.692 -12.254 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.746 -3.463 -11.568 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.506 -4.226 -13.168 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.768 -4.112 -12.799 1.00 0.00 N ATOM 0 H HIS A 56 -5.466 -1.219 -7.977 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.832 -2.260 -9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.689 -1.481 -10.252 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.953 -2.990 -9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.614 -3.210 -10.978 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.178 -4.689 -14.087 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.590 -4.433 -13.310 1.00 0.00 H new ATOM 831 N LEU A 57 -6.085 -4.290 -7.265 1.00 0.00 N ATOM 832 CA LEU A 57 -6.043 -5.624 -6.677 1.00 0.00 C ATOM 833 C LEU A 57 -7.083 -5.790 -5.566 1.00 0.00 C ATOM 834 O LEU A 57 -7.588 -6.891 -5.347 1.00 0.00 O ATOM 835 CB LEU A 57 -4.643 -5.919 -6.138 1.00 0.00 C ATOM 836 CG LEU A 57 -4.351 -7.395 -5.866 1.00 0.00 C ATOM 837 CD1 LEU A 57 -2.875 -7.695 -6.073 1.00 0.00 C ATOM 838 CD2 LEU A 57 -4.780 -7.770 -4.456 1.00 0.00 C ATOM 0 H LEU A 57 -5.444 -3.620 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.285 -6.339 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.909 -5.545 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.501 -5.360 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.924 -7.996 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.687 -8.750 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.597 -7.464 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.281 -7.086 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.565 -8.824 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.233 -7.162 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.850 -7.593 -4.342 1.00 0.00 H new ATOM 850 N LYS A 58 -7.406 -4.703 -4.866 1.00 0.00 N ATOM 851 CA LYS A 58 -8.388 -4.766 -3.787 1.00 0.00 C ATOM 852 C LYS A 58 -9.793 -4.943 -4.352 1.00 0.00 C ATOM 853 O LYS A 58 -10.615 -5.667 -3.791 1.00 0.00 O ATOM 854 CB LYS A 58 -8.333 -3.506 -2.916 1.00 0.00 C ATOM 855 CG LYS A 58 -6.952 -3.196 -2.360 1.00 0.00 C ATOM 856 CD LYS A 58 -6.284 -4.436 -1.788 1.00 0.00 C ATOM 857 CE LYS A 58 -5.274 -5.022 -2.760 1.00 0.00 C ATOM 858 NZ LYS A 58 -3.874 -4.761 -2.335 1.00 0.00 N ATOM 0 H LYS A 58 -7.006 -3.778 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.143 -5.627 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.675 -2.655 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.030 -3.620 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.328 -2.778 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.035 -2.436 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.786 -4.183 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.042 -5.184 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.433 -6.097 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.437 -4.598 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.324 -4.412 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.868 -4.046 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.449 -5.642 -1.981 1.00 0.00 H new ATOM 872 N ALA A 59 -10.058 -4.274 -5.468 1.00 0.00 N ATOM 873 CA ALA A 59 -11.359 -4.352 -6.119 1.00 0.00 C ATOM 874 C ALA A 59 -11.420 -5.533 -7.082 1.00 0.00 C ATOM 875 O ALA A 59 -12.424 -6.242 -7.148 1.00 0.00 O ATOM 876 CB ALA A 59 -11.662 -3.054 -6.852 1.00 0.00 C ATOM 0 H ALA A 59 -9.386 -3.670 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.115 -4.505 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.637 -3.127 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.669 -2.228 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.897 -2.876 -7.607 1.00 0.00 H new ATOM 882 N LYS A 60 -10.337 -5.740 -7.827 1.00 0.00 N ATOM 883 CA LYS A 60 -10.266 -6.838 -8.783 1.00 0.00 C ATOM 884 C LYS A 60 -9.680 -8.083 -8.127 1.00 0.00 C ATOM 885 O LYS A 60 -10.298 -9.148 -8.130 1.00 0.00 O ATOM 886 CB LYS A 60 -9.421 -6.437 -9.994 1.00 0.00 C ATOM 887 CG LYS A 60 -9.923 -7.017 -11.306 1.00 0.00 C ATOM 888 CD LYS A 60 -9.642 -8.508 -11.399 1.00 0.00 C ATOM 889 CE LYS A 60 -8.681 -8.823 -12.533 1.00 0.00 C ATOM 890 NZ LYS A 60 -7.298 -9.070 -12.037 1.00 0.00 N ATOM 0 H LYS A 60 -9.498 -5.161 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.278 -7.064 -9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.404 -5.350 -10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.393 -6.762 -9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.995 -6.841 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.444 -6.503 -12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.222 -8.860 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.577 -9.047 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.034 -9.700 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.670 -7.994 -13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.673 -9.281 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.951 -8.224 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.303 -9.877 -11.381 1.00 0.00 H new ATOM 904 N GLY A 61 -8.489 -7.938 -7.560 1.00 0.00 N ATOM 905 CA GLY A 61 -7.840 -9.055 -6.899 1.00 0.00 C ATOM 906 C GLY A 61 -8.556 -9.450 -5.623 1.00 0.00 C ATOM 907 O GLY A 61 -9.753 -9.736 -5.643 1.00 0.00 O ATOM 0 H GLY A 61 -7.960 -7.066 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.808 -9.909 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.808 -8.791 -6.669 1.00 0.00 H new ATOM 911 N GLU A 62 -7.828 -9.461 -4.509 1.00 0.00 N ATOM 912 CA GLU A 62 -8.415 -9.819 -3.221 1.00 0.00 C ATOM 913 C GLU A 62 -7.348 -9.984 -2.144 1.00 0.00 C ATOM 914 O GLU A 62 -7.077 -11.098 -1.696 1.00 0.00 O ATOM 915 CB GLU A 62 -9.225 -11.114 -3.342 1.00 0.00 C ATOM 916 CG GLU A 62 -8.519 -12.201 -4.137 1.00 0.00 C ATOM 917 CD GLU A 62 -9.467 -13.288 -4.605 1.00 0.00 C ATOM 918 OE1 GLU A 62 -10.603 -13.349 -4.090 1.00 0.00 O ATOM 919 OE2 GLU A 62 -9.072 -14.078 -5.488 1.00 0.00 O ATOM 0 H GLU A 62 -6.836 -9.227 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.075 -9.003 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.444 -11.490 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.181 -10.892 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.029 -11.754 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.737 -12.646 -3.522 1.00 0.00 H new ATOM 926 N ILE A 63 -6.754 -8.872 -1.716 1.00 0.00 N ATOM 927 CA ILE A 63 -5.736 -8.910 -0.680 1.00 0.00 C ATOM 928 C ILE A 63 -6.277 -9.642 0.546 1.00 0.00 C ATOM 929 O ILE A 63 -7.449 -9.494 0.894 1.00 0.00 O ATOM 930 CB ILE A 63 -5.244 -7.464 -0.318 1.00 0.00 C ATOM 931 CG1 ILE A 63 -3.720 -7.383 -0.492 1.00 0.00 C ATOM 932 CG2 ILE A 63 -5.653 -7.007 1.094 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.094 -6.124 0.077 1.00 0.00 C ATOM 0 H ILE A 63 -6.962 -7.939 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.870 -9.456 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.739 -6.778 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.265 -8.250 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.483 -7.445 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.278 -5.999 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.740 -7.010 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.231 -7.688 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.017 -6.147 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.518 -5.251 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.296 -6.068 1.147 1.00 0.00 H new ATOM 945 N PRO A 64 -5.435 -10.419 1.232 1.00 0.00 N ATOM 946 CA PRO A 64 -5.855 -11.133 2.431 1.00 0.00 C ATOM 947 C PRO A 64 -6.554 -10.184 3.393 1.00 0.00 C ATOM 948 O PRO A 64 -6.150 -9.031 3.530 1.00 0.00 O ATOM 949 CB PRO A 64 -4.534 -11.633 3.016 1.00 0.00 C ATOM 950 CG PRO A 64 -3.633 -11.763 1.841 1.00 0.00 C ATOM 951 CD PRO A 64 -4.013 -10.636 0.923 1.00 0.00 C ATOM 0 HA PRO A 64 -6.564 -11.938 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.133 -10.932 3.748 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.662 -12.588 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.587 -11.692 2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.761 -12.729 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.418 -9.743 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.864 -10.901 -0.124 1.00 0.00 H new ATOM 959 N GLU A 65 -7.609 -10.652 4.041 1.00 0.00 N ATOM 960 CA GLU A 65 -8.348 -9.806 4.969 1.00 0.00 C ATOM 961 C GLU A 65 -7.450 -9.355 6.114 1.00 0.00 C ATOM 962 O GLU A 65 -7.608 -8.262 6.649 1.00 0.00 O ATOM 963 CB GLU A 65 -9.567 -10.536 5.514 1.00 0.00 C ATOM 964 CG GLU A 65 -10.240 -11.451 4.504 1.00 0.00 C ATOM 965 CD GLU A 65 -10.410 -10.797 3.147 1.00 0.00 C ATOM 966 OE1 GLU A 65 -10.753 -9.598 3.105 1.00 0.00 O ATOM 967 OE2 GLU A 65 -10.199 -11.486 2.125 1.00 0.00 O ATOM 0 H GLU A 65 -7.971 -11.601 3.945 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.689 -8.925 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.268 -11.126 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.292 -9.801 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.650 -12.361 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.217 -11.749 4.884 1.00 0.00 H new ATOM 974 N VAL A 66 -6.490 -10.203 6.472 1.00 0.00 N ATOM 975 CA VAL A 66 -5.536 -9.901 7.544 1.00 0.00 C ATOM 976 C VAL A 66 -5.033 -8.461 7.408 1.00 0.00 C ATOM 977 O VAL A 66 -4.697 -7.804 8.394 1.00 0.00 O ATOM 978 CB VAL A 66 -4.342 -10.902 7.513 1.00 0.00 C ATOM 979 CG1 VAL A 66 -3.967 -11.231 6.084 1.00 0.00 C ATOM 980 CG2 VAL A 66 -3.115 -10.378 8.250 1.00 0.00 C ATOM 0 H VAL A 66 -6.349 -11.113 6.033 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.043 -10.006 8.503 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.677 -11.802 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.132 -11.931 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.821 -11.681 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.678 -10.318 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.315 -11.116 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.783 -9.448 7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.369 -10.194 9.294 1.00 0.00 H new ATOM 990 N ALA A 67 -4.988 -7.995 6.170 1.00 0.00 N ATOM 991 CA ALA A 67 -4.537 -6.653 5.855 1.00 0.00 C ATOM 992 C ALA A 67 -5.558 -5.600 6.276 1.00 0.00 C ATOM 993 O ALA A 67 -5.345 -4.866 7.241 1.00 0.00 O ATOM 994 CB ALA A 67 -4.266 -6.555 4.367 1.00 0.00 C ATOM 0 H ALA A 67 -5.265 -8.541 5.354 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.621 -6.458 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.927 -5.548 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.496 -7.274 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.181 -6.772 3.815 1.00 0.00 H new ATOM 1000 N PHE A 68 -6.659 -5.525 5.536 1.00 0.00 N ATOM 1001 CA PHE A 68 -7.713 -4.554 5.818 1.00 0.00 C ATOM 1002 C PHE A 68 -8.060 -4.518 7.304 1.00 0.00 C ATOM 1003 O PHE A 68 -7.928 -3.483 7.957 1.00 0.00 O ATOM 1004 CB PHE A 68 -8.961 -4.875 4.993 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.753 -4.744 3.525 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.680 -3.499 2.936 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.631 -5.867 2.735 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.487 -3.375 1.581 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.441 -5.753 1.380 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.367 -4.504 0.798 1.00 0.00 C ATOM 0 H PHE A 68 -6.846 -6.126 4.734 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.341 -3.568 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.283 -5.892 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.769 -4.210 5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.775 -2.613 3.546 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.685 -6.847 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.429 -2.395 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.350 -6.640 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.216 -4.411 -0.267 1.00 0.00 H new ATOM 1020 N MET A 69 -8.501 -5.653 7.831 1.00 0.00 N ATOM 1021 CA MET A 69 -8.867 -5.754 9.239 1.00 0.00 C ATOM 1022 C MET A 69 -9.230 -7.190 9.603 1.00 0.00 C ATOM 1023 O MET A 69 -10.188 -7.752 9.072 1.00 0.00 O ATOM 1024 CB MET A 69 -10.040 -4.824 9.550 1.00 0.00 C ATOM 1025 CG MET A 69 -10.032 -4.291 10.974 1.00 0.00 C ATOM 1026 SD MET A 69 -10.688 -2.616 11.093 1.00 0.00 S ATOM 1027 CE MET A 69 -9.264 -1.740 11.738 1.00 0.00 C ATOM 0 H MET A 69 -8.614 -6.519 7.304 1.00 0.00 H new ATOM 0 HA MET A 69 -8.006 -5.453 9.836 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.021 -3.984 8.856 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.973 -5.359 9.376 1.00 0.00 H new ATOM 0 HG2 MET A 69 -10.620 -4.953 11.609 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.012 -4.305 11.357 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.513 -0.687 11.867 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.980 -2.166 12.700 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.432 -1.834 11.040 1.00 0.00 H new ATOM 1037 N LYS A 70 -8.459 -7.778 10.510 1.00 0.00 N ATOM 1038 CA LYS A 70 -8.698 -9.150 10.945 1.00 0.00 C ATOM 1039 C LYS A 70 -8.399 -9.310 12.432 1.00 0.00 C ATOM 1040 O LYS A 70 -9.359 -9.484 13.212 1.00 0.00 O ATOM 1041 CB LYS A 70 -7.840 -10.119 10.131 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.269 -11.571 10.262 1.00 0.00 C ATOM 1043 CD LYS A 70 -7.354 -12.494 9.472 1.00 0.00 C ATOM 1044 CE LYS A 70 -7.487 -12.262 7.976 1.00 0.00 C ATOM 1045 NZ LYS A 70 -8.280 -13.336 7.315 1.00 0.00 N ATOM 1046 OXT LYS A 70 -7.208 -9.262 12.804 1.00 0.00 O ATOM 0 H LYS A 70 -7.662 -7.326 10.959 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.750 -9.380 10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.879 -9.831 9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.801 -10.026 10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.261 -11.861 11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.294 -11.682 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.320 -12.331 9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.594 -13.532 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.964 -11.298 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.495 -12.214 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.347 -13.141 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.812 -14.253 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.235 -13.365 7.726 1.00 0.00 H new