USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 436 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 39 TYR OH : rot -4:sc= -0.741 USER MOD Set 1.2: A 49 ASN : amide:sc= -3.61! C(o=-4.4!,f=-7.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.012) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.305 (180deg=-0.962) USER MOD Single : A 35 CYS SG : rot 134:sc=-0.00314 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.5) USER MOD Single : A 48 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.33) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.3!) USER MOD Single : A 65 ASN : amide:sc= -0.74 K(o=-0.74,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.676 9.353 3.662 1.00 0.00 N ATOM 133 CA LEU A 13 -4.559 8.318 2.649 1.00 0.00 C ATOM 134 C LEU A 13 -3.157 8.365 2.037 1.00 0.00 C ATOM 135 O LEU A 13 -2.493 7.336 1.919 1.00 0.00 O ATOM 136 CB LEU A 13 -5.683 8.448 1.619 1.00 0.00 C ATOM 137 CG LEU A 13 -5.830 7.285 0.636 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.183 7.336 -0.076 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.663 7.254 -0.353 1.00 0.00 C ATOM 0 HA LEU A 13 -4.679 7.332 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.626 8.568 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.522 9.362 1.048 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.799 6.354 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.261 6.498 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.984 7.274 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.269 8.272 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.791 6.418 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.638 8.187 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.727 7.135 0.192 1.00 0.00 H new ATOM 151 N ASP A 14 -2.748 9.569 1.666 1.00 0.00 N ATOM 152 CA ASP A 14 -1.437 9.763 1.070 1.00 0.00 C ATOM 153 C ASP A 14 -0.359 9.376 2.083 1.00 0.00 C ATOM 154 O ASP A 14 0.604 8.692 1.740 1.00 0.00 O ATOM 155 CB ASP A 14 -1.220 11.227 0.683 1.00 0.00 C ATOM 156 CG ASP A 14 0.105 11.519 -0.025 1.00 0.00 C ATOM 157 OD1 ASP A 14 1.092 10.829 0.310 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.101 12.425 -0.886 1.00 0.00 O ATOM 0 H ASP A 14 -3.301 10.420 1.766 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.377 9.141 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.038 11.541 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.275 11.838 1.584 1.00 0.00 H new ATOM 163 N SER A 15 -0.556 9.831 3.312 1.00 0.00 N ATOM 164 CA SER A 15 0.388 9.542 4.378 1.00 0.00 C ATOM 165 C SER A 15 0.675 8.040 4.429 1.00 0.00 C ATOM 166 O SER A 15 1.832 7.623 4.394 1.00 0.00 O ATOM 167 CB SER A 15 -0.140 10.028 5.729 1.00 0.00 C ATOM 168 OG SER A 15 0.806 10.847 6.409 1.00 0.00 O ATOM 0 H SER A 15 -1.356 10.398 3.593 1.00 0.00 H new ATOM 0 HA SER A 15 1.315 10.076 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.062 10.589 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.389 9.168 6.351 1.00 0.00 H new ATOM 0 HG SER A 15 0.430 11.138 7.266 1.00 0.00 H new ATOM 174 N LEU A 16 -0.399 7.267 4.511 1.00 0.00 N ATOM 175 CA LEU A 16 -0.277 5.820 4.567 1.00 0.00 C ATOM 176 C LEU A 16 0.676 5.350 3.467 1.00 0.00 C ATOM 177 O LEU A 16 1.607 4.590 3.730 1.00 0.00 O ATOM 178 CB LEU A 16 -1.658 5.164 4.507 1.00 0.00 C ATOM 179 CG LEU A 16 -2.629 5.540 5.628 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.026 4.979 5.355 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.090 5.099 6.991 1.00 0.00 C ATOM 0 H LEU A 16 -1.357 7.616 4.540 1.00 0.00 H new ATOM 0 HA LEU A 16 0.157 5.510 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.119 5.420 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.525 4.082 4.516 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.718 6.626 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.696 5.261 6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.403 5.384 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.975 3.892 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.799 5.378 7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.953 4.018 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.134 5.587 7.179 1.00 0.00 H new ATOM 193 N ILE A 17 0.411 5.821 2.257 1.00 0.00 N ATOM 194 CA ILE A 17 1.233 5.457 1.116 1.00 0.00 C ATOM 195 C ILE A 17 2.693 5.808 1.412 1.00 0.00 C ATOM 196 O ILE A 17 3.522 4.920 1.602 1.00 0.00 O ATOM 197 CB ILE A 17 0.692 6.103 -0.161 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.745 5.656 -0.436 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.616 5.826 -1.349 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.369 6.479 -1.565 1.00 0.00 C ATOM 0 H ILE A 17 -0.362 6.452 2.042 1.00 0.00 H new ATOM 0 HA ILE A 17 1.192 4.381 0.944 1.00 0.00 H new ATOM 0 HB ILE A 17 0.670 7.183 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.756 4.599 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.342 5.763 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.209 6.296 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.606 6.234 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.693 4.750 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.390 6.141 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.379 7.532 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.783 6.351 -2.475 1.00 0.00 H new ATOM 212 N SER A 18 2.961 7.105 1.443 1.00 0.00 N ATOM 213 CA SER A 18 4.306 7.584 1.713 1.00 0.00 C ATOM 214 C SER A 18 4.930 6.778 2.854 1.00 0.00 C ATOM 215 O SER A 18 6.039 6.263 2.721 1.00 0.00 O ATOM 216 CB SER A 18 4.301 9.075 2.057 1.00 0.00 C ATOM 217 OG SER A 18 5.618 9.583 2.252 1.00 0.00 O ATOM 0 H SER A 18 2.270 7.839 1.286 1.00 0.00 H new ATOM 0 HA SER A 18 4.904 7.449 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.813 9.630 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.713 9.237 2.960 1.00 0.00 H new ATOM 0 HG SER A 18 5.572 10.538 2.468 1.00 0.00 H new ATOM 223 N GLN A 19 4.190 6.695 3.950 1.00 0.00 N ATOM 224 CA GLN A 19 4.656 5.960 5.114 1.00 0.00 C ATOM 225 C GLN A 19 5.293 4.636 4.685 1.00 0.00 C ATOM 226 O GLN A 19 6.396 4.305 5.117 1.00 0.00 O ATOM 227 CB GLN A 19 3.517 5.725 6.107 1.00 0.00 C ATOM 228 CG GLN A 19 3.138 7.022 6.824 1.00 0.00 C ATOM 229 CD GLN A 19 3.260 6.865 8.341 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.306 6.533 8.875 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.136 7.122 9.004 1.00 0.00 N ATOM 0 H GLN A 19 3.271 7.125 4.057 1.00 0.00 H new ATOM 0 HA GLN A 19 5.414 6.559 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.648 5.328 5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.817 4.975 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.785 7.831 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.117 7.300 6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.295 7.395 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.115 7.046 10.021 1.00 0.00 H new ATOM 240 N VAL A 20 4.570 3.914 3.841 1.00 0.00 N ATOM 241 CA VAL A 20 5.050 2.634 3.350 1.00 0.00 C ATOM 242 C VAL A 20 6.192 2.869 2.360 1.00 0.00 C ATOM 243 O VAL A 20 7.276 2.307 2.513 1.00 0.00 O ATOM 244 CB VAL A 20 3.891 1.837 2.748 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.391 0.537 2.114 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.814 1.557 3.798 1.00 0.00 C ATOM 0 H VAL A 20 3.655 4.192 3.485 1.00 0.00 H new ATOM 0 HA VAL A 20 5.448 2.035 4.169 1.00 0.00 H new ATOM 0 HB VAL A 20 3.441 2.442 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.548 -0.011 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.104 0.769 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.878 -0.074 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.002 0.989 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.245 0.981 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.426 2.501 4.182 1.00 0.00 H new ATOM 256 N LYS A 21 5.911 3.698 1.366 1.00 0.00 N ATOM 257 CA LYS A 21 6.902 4.014 0.351 1.00 0.00 C ATOM 258 C LYS A 21 8.242 4.309 1.027 1.00 0.00 C ATOM 259 O LYS A 21 9.260 3.712 0.682 1.00 0.00 O ATOM 260 CB LYS A 21 6.404 5.147 -0.549 1.00 0.00 C ATOM 261 CG LYS A 21 7.136 5.141 -1.893 1.00 0.00 C ATOM 262 CD LYS A 21 6.321 5.867 -2.964 1.00 0.00 C ATOM 263 CE LYS A 21 7.108 7.042 -3.550 1.00 0.00 C ATOM 264 NZ LYS A 21 6.667 7.323 -4.934 1.00 0.00 N ATOM 0 H LYS A 21 5.011 4.161 1.241 1.00 0.00 H new ATOM 0 HA LYS A 21 7.059 3.160 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.332 5.041 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.556 6.105 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.109 5.621 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.321 4.113 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.056 5.170 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.388 6.229 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.966 7.927 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.174 6.814 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.424 7.821 -5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.453 6.428 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.814 7.918 -4.913 1.00 0.00 H new ATOM 278 N ASP A 22 8.198 5.231 1.978 1.00 0.00 N ATOM 279 CA ASP A 22 9.397 5.612 2.706 1.00 0.00 C ATOM 280 C ASP A 22 10.192 4.356 3.066 1.00 0.00 C ATOM 281 O ASP A 22 11.421 4.386 3.109 1.00 0.00 O ATOM 282 CB ASP A 22 9.044 6.337 4.006 1.00 0.00 C ATOM 283 CG ASP A 22 9.028 7.864 3.912 1.00 0.00 C ATOM 284 OD1 ASP A 22 10.030 8.412 3.404 1.00 0.00 O ATOM 285 OD2 ASP A 22 8.013 8.449 4.349 1.00 0.00 O ATOM 0 H ASP A 22 7.352 5.725 2.261 1.00 0.00 H new ATOM 0 HA ASP A 22 9.981 6.276 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.063 5.998 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.759 6.043 4.774 1.00 0.00 H new ATOM 290 N LEU A 23 9.458 3.281 3.314 1.00 0.00 N ATOM 291 CA LEU A 23 10.079 2.016 3.669 1.00 0.00 C ATOM 292 C LEU A 23 10.299 1.188 2.402 1.00 0.00 C ATOM 293 O LEU A 23 11.282 0.456 2.296 1.00 0.00 O ATOM 294 CB LEU A 23 9.257 1.297 4.740 1.00 0.00 C ATOM 295 CG LEU A 23 9.261 1.935 6.130 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.446 1.099 7.119 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.690 2.171 6.621 1.00 0.00 C ATOM 0 H LEU A 23 8.439 3.260 3.276 1.00 0.00 H new ATOM 0 HA LEU A 23 11.060 2.184 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.225 1.232 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.628 0.276 4.830 1.00 0.00 H new ATOM 0 HG LEU A 23 8.780 2.910 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.465 1.575 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.416 1.026 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.876 0.100 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.664 2.625 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.219 1.219 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.207 2.837 5.930 1.00 0.00 H new ATOM 309 N LEU A 24 9.366 1.330 1.471 1.00 0.00 N ATOM 310 CA LEU A 24 9.445 0.603 0.215 1.00 0.00 C ATOM 311 C LEU A 24 9.293 1.586 -0.947 1.00 0.00 C ATOM 312 O LEU A 24 8.259 1.610 -1.614 1.00 0.00 O ATOM 313 CB LEU A 24 8.427 -0.539 0.192 1.00 0.00 C ATOM 314 CG LEU A 24 8.622 -1.632 1.245 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.501 -2.670 1.171 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.006 -2.272 1.122 1.00 0.00 C ATOM 0 H LEU A 24 8.552 1.938 1.562 1.00 0.00 H new ATOM 0 HA LEU A 24 10.421 0.130 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.431 -0.114 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.453 -1.003 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 24 8.568 -1.170 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.663 -3.436 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.542 -2.183 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.498 -3.132 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.118 -3.045 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.115 -2.717 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.773 -1.510 1.263 1.00 0.00 H new ATOM 328 N PRO A 25 10.366 2.394 -1.161 1.00 0.00 N ATOM 329 CA PRO A 25 10.361 3.377 -2.231 1.00 0.00 C ATOM 330 C PRO A 25 10.553 2.705 -3.593 1.00 0.00 C ATOM 331 O PRO A 25 10.064 3.199 -4.607 1.00 0.00 O ATOM 332 CB PRO A 25 11.482 4.343 -1.883 1.00 0.00 C ATOM 333 CG PRO A 25 12.368 3.612 -0.888 1.00 0.00 C ATOM 334 CD PRO A 25 11.606 2.395 -0.391 1.00 0.00 C ATOM 0 HA PRO A 25 9.410 3.904 -2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.045 4.625 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.086 5.262 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.303 3.310 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.627 4.266 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.174 1.479 -0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.408 2.462 0.679 1.00 0.00 H new ATOM 342 N ASP A 26 11.265 1.588 -3.570 1.00 0.00 N ATOM 343 CA ASP A 26 11.528 0.843 -4.790 1.00 0.00 C ATOM 344 C ASP A 26 10.214 0.627 -5.543 1.00 0.00 C ATOM 345 O ASP A 26 10.145 0.840 -6.753 1.00 0.00 O ATOM 346 CB ASP A 26 12.126 -0.530 -4.479 1.00 0.00 C ATOM 347 CG ASP A 26 13.640 -0.541 -4.257 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.182 0.554 -3.993 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.220 -1.643 -4.357 1.00 0.00 O ATOM 0 H ASP A 26 11.668 1.181 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 26 12.235 1.416 -5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.640 -0.928 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.889 -1.207 -5.300 1.00 0.00 H new ATOM 354 N LEU A 27 9.203 0.206 -4.796 1.00 0.00 N ATOM 355 CA LEU A 27 7.895 -0.042 -5.378 1.00 0.00 C ATOM 356 C LEU A 27 7.258 1.291 -5.776 1.00 0.00 C ATOM 357 O LEU A 27 7.689 2.350 -5.322 1.00 0.00 O ATOM 358 CB LEU A 27 7.034 -0.875 -4.426 1.00 0.00 C ATOM 359 CG LEU A 27 7.550 -2.280 -4.111 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.856 -2.855 -2.875 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.412 -3.200 -5.326 1.00 0.00 C ATOM 0 H LEU A 27 9.264 0.031 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 27 7.989 -0.635 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.931 -0.329 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.036 -0.964 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 27 8.613 -2.209 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.241 -3.854 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.049 -2.211 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.782 -2.909 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.786 -4.193 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.363 -3.269 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.989 -2.794 -6.157 1.00 0.00 H new ATOM 373 N GLY A 28 6.242 1.196 -6.621 1.00 0.00 N ATOM 374 CA GLY A 28 5.541 2.381 -7.086 1.00 0.00 C ATOM 375 C GLY A 28 4.271 2.623 -6.268 1.00 0.00 C ATOM 376 O GLY A 28 3.609 1.676 -5.848 1.00 0.00 O ATOM 0 H GLY A 28 5.887 0.316 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.197 3.249 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.283 2.266 -8.139 1.00 0.00 H new ATOM 380 N GLU A 29 3.970 3.898 -6.066 1.00 0.00 N ATOM 381 CA GLU A 29 2.791 4.276 -5.305 1.00 0.00 C ATOM 382 C GLU A 29 1.567 3.505 -5.804 1.00 0.00 C ATOM 383 O GLU A 29 0.857 2.884 -5.015 1.00 0.00 O ATOM 384 CB GLU A 29 2.554 5.786 -5.376 1.00 0.00 C ATOM 385 CG GLU A 29 3.300 6.511 -4.254 1.00 0.00 C ATOM 386 CD GLU A 29 2.965 8.004 -4.249 1.00 0.00 C ATOM 387 OE1 GLU A 29 2.845 8.563 -5.361 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.838 8.554 -3.134 1.00 0.00 O ATOM 0 H GLU A 29 4.522 4.681 -6.416 1.00 0.00 H new ATOM 0 HA GLU A 29 2.958 4.016 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.886 6.165 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.487 5.994 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.034 6.072 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.374 6.376 -4.380 1.00 0.00 H new ATOM 395 N GLY A 30 1.359 3.570 -7.111 1.00 0.00 N ATOM 396 CA GLY A 30 0.234 2.886 -7.724 1.00 0.00 C ATOM 397 C GLY A 30 0.026 1.505 -7.101 1.00 0.00 C ATOM 398 O GLY A 30 -1.105 1.112 -6.816 1.00 0.00 O ATOM 0 H GLY A 30 1.951 4.086 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.669 3.483 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.406 2.783 -8.795 1.00 0.00 H new ATOM 402 N PHE A 31 1.134 0.806 -6.906 1.00 0.00 N ATOM 403 CA PHE A 31 1.088 -0.524 -6.321 1.00 0.00 C ATOM 404 C PHE A 31 0.957 -0.449 -4.799 1.00 0.00 C ATOM 405 O PHE A 31 0.371 -1.334 -4.178 1.00 0.00 O ATOM 406 CB PHE A 31 2.406 -1.215 -6.675 1.00 0.00 C ATOM 407 CG PHE A 31 2.612 -2.559 -5.974 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.137 -3.701 -6.540 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.270 -2.612 -4.785 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.328 -4.948 -5.889 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.461 -3.859 -4.134 1.00 0.00 C ATOM 412 CZ PHE A 31 2.986 -5.001 -4.700 1.00 0.00 C ATOM 0 H PHE A 31 2.070 1.135 -7.143 1.00 0.00 H new ATOM 0 HA PHE A 31 0.227 -1.070 -6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.445 -1.370 -7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.232 -0.552 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.615 -3.659 -7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.647 -1.705 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.951 -5.855 -6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.983 -3.901 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.131 -5.950 -4.205 1.00 0.00 H new ATOM 422 N ILE A 32 1.514 0.617 -4.241 1.00 0.00 N ATOM 423 CA ILE A 32 1.467 0.819 -2.803 1.00 0.00 C ATOM 424 C ILE A 32 0.040 1.182 -2.389 1.00 0.00 C ATOM 425 O ILE A 32 -0.418 0.791 -1.317 1.00 0.00 O ATOM 426 CB ILE A 32 2.513 1.849 -2.373 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.918 1.412 -2.793 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.424 2.127 -0.871 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.866 2.611 -2.868 1.00 0.00 C ATOM 0 H ILE A 32 2.000 1.349 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 32 1.726 -0.102 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 32 2.300 2.786 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.304 0.683 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.874 0.917 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.178 2.863 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.434 2.514 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.596 1.203 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.858 2.273 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.490 3.327 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.927 3.089 -1.890 1.00 0.00 H new ATOM 441 N LEU A 33 -0.624 1.927 -3.262 1.00 0.00 N ATOM 442 CA LEU A 33 -1.990 2.347 -3.001 1.00 0.00 C ATOM 443 C LEU A 33 -2.918 1.134 -3.091 1.00 0.00 C ATOM 444 O LEU A 33 -3.692 0.871 -2.172 1.00 0.00 O ATOM 445 CB LEU A 33 -2.385 3.494 -3.933 1.00 0.00 C ATOM 446 CG LEU A 33 -3.864 3.887 -3.924 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.690 2.930 -4.786 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.399 3.977 -2.494 1.00 0.00 C ATOM 0 H LEU A 33 -0.241 2.250 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.080 2.743 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.795 4.371 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.109 3.220 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.957 4.880 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.737 3.231 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.327 2.960 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.595 1.916 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.452 4.258 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.292 3.009 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.835 4.728 -1.941 1.00 0.00 H new ATOM 460 N ALA A 34 -2.811 0.429 -4.207 1.00 0.00 N ATOM 461 CA ALA A 34 -3.631 -0.750 -4.429 1.00 0.00 C ATOM 462 C ALA A 34 -3.571 -1.649 -3.193 1.00 0.00 C ATOM 463 O ALA A 34 -4.604 -2.010 -2.632 1.00 0.00 O ATOM 464 CB ALA A 34 -3.161 -1.468 -5.696 1.00 0.00 C ATOM 0 H ALA A 34 -2.169 0.651 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.673 -0.469 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.776 -2.352 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.252 -0.797 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.119 -1.767 -5.579 1.00 0.00 H new ATOM 470 N CYS A 35 -2.349 -1.984 -2.803 1.00 0.00 N ATOM 471 CA CYS A 35 -2.141 -2.834 -1.643 1.00 0.00 C ATOM 472 C CYS A 35 -2.919 -2.241 -0.467 1.00 0.00 C ATOM 473 O CYS A 35 -3.831 -2.876 0.062 1.00 0.00 O ATOM 474 CB CYS A 35 -0.654 -2.994 -1.320 1.00 0.00 C ATOM 475 SG CYS A 35 0.059 -4.355 -2.314 1.00 0.00 S ATOM 0 H CYS A 35 -1.494 -1.682 -3.270 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.511 -3.838 -1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.126 -2.064 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.524 -3.202 -0.258 1.00 0.00 H new ATOM 0 HG CYS A 35 1.189 -3.970 -2.829 1.00 0.00 H new ATOM 481 N LEU A 36 -2.532 -1.030 -0.092 1.00 0.00 N ATOM 482 CA LEU A 36 -3.183 -0.345 1.011 1.00 0.00 C ATOM 483 C LEU A 36 -4.695 -0.553 0.915 1.00 0.00 C ATOM 484 O LEU A 36 -5.298 -1.167 1.793 1.00 0.00 O ATOM 485 CB LEU A 36 -2.765 1.127 1.049 1.00 0.00 C ATOM 486 CG LEU A 36 -1.498 1.445 1.845 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.989 2.852 1.526 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.728 1.244 3.344 1.00 0.00 C ATOM 0 H LEU A 36 -1.776 -0.506 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.864 -0.768 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.622 1.470 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.588 1.707 1.467 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.719 0.745 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.088 3.053 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.761 2.924 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.756 3.583 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.812 1.477 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.527 1.904 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.009 0.208 3.533 1.00 0.00 H new ATOM 500 N GLU A 37 -5.265 -0.029 -0.160 1.00 0.00 N ATOM 501 CA GLU A 37 -6.696 -0.149 -0.383 1.00 0.00 C ATOM 502 C GLU A 37 -7.172 -1.558 -0.024 1.00 0.00 C ATOM 503 O GLU A 37 -8.014 -1.726 0.857 1.00 0.00 O ATOM 504 CB GLU A 37 -7.057 0.200 -1.828 1.00 0.00 C ATOM 505 CG GLU A 37 -7.296 1.703 -1.986 1.00 0.00 C ATOM 506 CD GLU A 37 -8.531 1.974 -2.848 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.582 1.372 -2.539 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.396 2.777 -3.796 1.00 0.00 O ATOM 0 H GLU A 37 -4.762 0.480 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.206 0.563 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.254 -0.116 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.951 -0.347 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.426 2.159 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.421 2.168 -2.441 1.00 0.00 H new ATOM 515 N TYR A 38 -6.613 -2.534 -0.724 1.00 0.00 N ATOM 516 CA TYR A 38 -6.970 -3.923 -0.490 1.00 0.00 C ATOM 517 C TYR A 38 -6.857 -4.275 0.994 1.00 0.00 C ATOM 518 O TYR A 38 -7.747 -4.914 1.554 1.00 0.00 O ATOM 519 CB TYR A 38 -5.959 -4.757 -1.279 1.00 0.00 C ATOM 520 CG TYR A 38 -6.215 -6.264 -1.219 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.771 -6.997 -0.137 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.889 -6.891 -2.247 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.012 -8.416 -0.081 1.00 0.00 C ATOM 524 CE2 TYR A 38 -7.129 -8.309 -2.191 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.679 -9.002 -1.111 1.00 0.00 C ATOM 526 OH TYR A 38 -6.906 -10.342 -1.058 1.00 0.00 O ATOM 0 H TYR A 38 -5.915 -2.390 -1.454 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.998 -4.112 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.974 -4.437 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.959 -4.553 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.243 -6.507 0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.236 -6.318 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.671 -9.001 0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.655 -8.812 -2.989 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.393 -10.623 -1.860 1.00 0.00 H new ATOM 536 N TYR A 39 -5.755 -3.843 1.590 1.00 0.00 N ATOM 537 CA TYR A 39 -5.514 -4.105 2.999 1.00 0.00 C ATOM 538 C TYR A 39 -6.126 -3.008 3.873 1.00 0.00 C ATOM 539 O TYR A 39 -5.499 -2.546 4.825 1.00 0.00 O ATOM 540 CB TYR A 39 -3.995 -4.094 3.176 1.00 0.00 C ATOM 541 CG TYR A 39 -3.302 -5.369 2.691 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.377 -6.524 3.443 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.603 -5.364 1.501 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.725 -7.724 2.986 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.952 -6.565 1.044 1.00 0.00 C ATOM 546 CZ TYR A 39 -2.045 -7.685 1.809 1.00 0.00 C ATOM 547 OH TYR A 39 -1.429 -8.819 1.378 1.00 0.00 O ATOM 0 H TYR A 39 -5.019 -3.313 1.123 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.962 -5.053 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.583 -3.241 2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.764 -3.946 4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.925 -6.528 4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.544 -4.460 0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.775 -8.634 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.402 -6.575 0.114 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.520 -9.519 2.057 1.00 0.00 H new ATOM 557 N HIS A 40 -7.343 -2.622 3.518 1.00 0.00 N ATOM 558 CA HIS A 40 -8.046 -1.588 4.258 1.00 0.00 C ATOM 559 C HIS A 40 -7.066 -0.480 4.648 1.00 0.00 C ATOM 560 O HIS A 40 -6.910 -0.172 5.829 1.00 0.00 O ATOM 561 CB HIS A 40 -8.778 -2.184 5.462 1.00 0.00 C ATOM 562 CG HIS A 40 -9.632 -3.384 5.129 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.949 -3.275 4.718 1.00 0.00 N ATOM 564 CD2 HIS A 40 -9.344 -4.717 5.150 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.423 -4.494 4.505 1.00 0.00 C ATOM 566 NE2 HIS A 40 -10.427 -5.386 4.774 1.00 0.00 N ATOM 0 H HIS A 40 -7.860 -3.007 2.728 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.813 -1.141 3.626 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.044 -2.471 6.215 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.408 -1.415 5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.396 -5.154 5.426 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.422 -4.738 4.176 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.502 -6.400 4.699 1.00 0.00 H new ATOM 574 N TYR A 41 -6.431 0.089 3.634 1.00 0.00 N ATOM 575 CA TYR A 41 -5.470 1.156 3.856 1.00 0.00 C ATOM 576 C TYR A 41 -4.626 0.882 5.103 1.00 0.00 C ATOM 577 O TYR A 41 -4.591 1.696 6.024 1.00 0.00 O ATOM 578 CB TYR A 41 -6.294 2.425 4.082 1.00 0.00 C ATOM 579 CG TYR A 41 -6.989 2.948 2.823 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.237 3.410 1.762 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.367 2.957 2.748 1.00 0.00 C ATOM 582 CE1 TYR A 41 -6.891 3.902 0.577 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.020 3.449 1.563 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.250 3.897 0.536 1.00 0.00 C ATOM 585 OH TYR A 41 -8.867 4.362 -0.583 1.00 0.00 O ATOM 0 H TYR A 41 -6.563 -0.169 2.656 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.791 1.244 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.047 2.226 4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.641 3.205 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.159 3.403 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.955 2.595 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.315 4.267 -0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.098 3.462 1.491 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.839 4.298 -0.472 1.00 0.00 H new ATOM 595 N ASP A 42 -3.965 -0.266 5.091 1.00 0.00 N ATOM 596 CA ASP A 42 -3.123 -0.657 6.209 1.00 0.00 C ATOM 597 C ASP A 42 -1.668 -0.734 5.743 1.00 0.00 C ATOM 598 O ASP A 42 -1.332 -1.537 4.874 1.00 0.00 O ATOM 599 CB ASP A 42 -3.522 -2.034 6.743 1.00 0.00 C ATOM 600 CG ASP A 42 -4.856 -2.076 7.490 1.00 0.00 C ATOM 601 OD1 ASP A 42 -5.058 -1.184 8.342 1.00 0.00 O ATOM 602 OD2 ASP A 42 -5.644 -3.000 7.193 1.00 0.00 O ATOM 0 H ASP A 42 -3.995 -0.938 4.325 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.244 0.085 6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.569 -2.732 5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.737 -2.389 7.411 1.00 0.00 H new ATOM 607 N PRO A 43 -0.821 0.135 6.357 1.00 0.00 N ATOM 608 CA PRO A 43 0.590 0.173 6.015 1.00 0.00 C ATOM 609 C PRO A 43 1.332 -1.025 6.611 1.00 0.00 C ATOM 610 O PRO A 43 2.138 -1.660 5.933 1.00 0.00 O ATOM 611 CB PRO A 43 1.089 1.506 6.549 1.00 0.00 C ATOM 612 CG PRO A 43 0.059 1.956 7.572 1.00 0.00 C ATOM 613 CD PRO A 43 -1.184 1.101 7.391 1.00 0.00 C ATOM 0 HA PRO A 43 0.764 0.099 4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.073 1.400 7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.187 2.237 5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.453 1.848 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.180 3.011 7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.460 0.602 8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.039 1.705 7.087 1.00 0.00 H new ATOM 621 N GLU A 44 1.032 -1.298 7.872 1.00 0.00 N ATOM 622 CA GLU A 44 1.660 -2.408 8.568 1.00 0.00 C ATOM 623 C GLU A 44 1.364 -3.723 7.844 1.00 0.00 C ATOM 624 O GLU A 44 2.263 -4.535 7.630 1.00 0.00 O ATOM 625 CB GLU A 44 1.204 -2.471 10.026 1.00 0.00 C ATOM 626 CG GLU A 44 2.315 -2.004 10.969 1.00 0.00 C ATOM 627 CD GLU A 44 2.355 -2.860 12.236 1.00 0.00 C ATOM 628 OE1 GLU A 44 2.663 -4.064 12.099 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.076 -2.292 13.314 1.00 0.00 O ATOM 0 H GLU A 44 0.362 -0.769 8.430 1.00 0.00 H new ATOM 0 HA GLU A 44 2.738 -2.249 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.321 -1.847 10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.915 -3.492 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.277 -2.058 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.155 -0.960 11.236 1.00 0.00 H new ATOM 636 N GLN A 45 0.099 -3.893 7.487 1.00 0.00 N ATOM 637 CA GLN A 45 -0.327 -5.096 6.792 1.00 0.00 C ATOM 638 C GLN A 45 0.497 -5.292 5.517 1.00 0.00 C ATOM 639 O GLN A 45 1.191 -6.297 5.371 1.00 0.00 O ATOM 640 CB GLN A 45 -1.823 -5.045 6.475 1.00 0.00 C ATOM 641 CG GLN A 45 -2.658 -5.217 7.746 1.00 0.00 C ATOM 642 CD GLN A 45 -4.033 -5.804 7.423 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.186 -6.662 6.568 1.00 0.00 O ATOM 644 NE2 GLN A 45 -5.023 -5.297 8.152 1.00 0.00 N ATOM 0 H GLN A 45 -0.644 -3.218 7.666 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.157 -5.950 7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.066 -4.094 6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.074 -5.830 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.134 -5.871 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.777 -4.253 8.240 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.826 -4.581 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.979 -5.624 8.012 1.00 0.00 H new ATOM 653 N VAL A 46 0.392 -4.316 4.627 1.00 0.00 N ATOM 654 CA VAL A 46 1.119 -4.369 3.370 1.00 0.00 C ATOM 655 C VAL A 46 2.571 -4.767 3.641 1.00 0.00 C ATOM 656 O VAL A 46 3.010 -5.842 3.237 1.00 0.00 O ATOM 657 CB VAL A 46 0.992 -3.033 2.636 1.00 0.00 C ATOM 658 CG1 VAL A 46 2.015 -2.931 1.502 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.430 -2.829 2.111 1.00 0.00 C ATOM 0 H VAL A 46 -0.185 -3.484 4.751 1.00 0.00 H new ATOM 0 HA VAL A 46 0.692 -5.127 2.714 1.00 0.00 H new ATOM 0 HB VAL A 46 1.203 -2.237 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.903 -1.972 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.022 -3.010 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.849 -3.738 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.493 -1.872 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.681 -3.633 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.131 -2.837 2.946 1.00 0.00 H new ATOM 669 N ILE A 47 3.277 -3.878 4.325 1.00 0.00 N ATOM 670 CA ILE A 47 4.670 -4.123 4.656 1.00 0.00 C ATOM 671 C ILE A 47 4.828 -5.563 5.148 1.00 0.00 C ATOM 672 O ILE A 47 5.581 -6.342 4.566 1.00 0.00 O ATOM 673 CB ILE A 47 5.178 -3.074 5.648 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.199 -1.683 5.013 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.544 -3.469 6.211 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.428 -0.601 6.070 1.00 0.00 C ATOM 0 H ILE A 47 2.910 -2.987 4.659 1.00 0.00 H new ATOM 0 HA ILE A 47 5.296 -4.019 3.770 1.00 0.00 H new ATOM 0 HB ILE A 47 4.484 -3.033 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.987 -1.634 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.256 -1.500 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.882 -2.707 6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.462 -4.426 6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.262 -3.556 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.439 0.378 5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.625 -0.636 6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.383 -0.773 6.566 1.00 0.00 H new ATOM 688 N ASN A 48 4.106 -5.872 6.214 1.00 0.00 N ATOM 689 CA ASN A 48 4.156 -7.205 6.791 1.00 0.00 C ATOM 690 C ASN A 48 4.045 -8.244 5.673 1.00 0.00 C ATOM 691 O ASN A 48 4.917 -9.099 5.526 1.00 0.00 O ATOM 692 CB ASN A 48 2.996 -7.429 7.762 1.00 0.00 C ATOM 693 CG ASN A 48 3.379 -7.005 9.181 1.00 0.00 C ATOM 694 OD1 ASN A 48 4.378 -7.432 9.736 1.00 0.00 O ATOM 695 ND2 ASN A 48 2.531 -6.143 9.736 1.00 0.00 N ATOM 0 H ASN A 48 3.483 -5.223 6.694 1.00 0.00 H new ATOM 0 HA ASN A 48 5.099 -7.305 7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.126 -6.862 7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.711 -8.481 7.757 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.699 -5.800 10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.713 -5.825 9.216 1.00 0.00 H new ATOM 702 N ASN A 49 2.964 -8.137 4.915 1.00 0.00 N ATOM 703 CA ASN A 49 2.727 -9.057 3.815 1.00 0.00 C ATOM 704 C ASN A 49 3.978 -9.128 2.937 1.00 0.00 C ATOM 705 O ASN A 49 4.625 -10.171 2.856 1.00 0.00 O ATOM 706 CB ASN A 49 1.563 -8.583 2.942 1.00 0.00 C ATOM 707 CG ASN A 49 0.229 -9.110 3.474 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.239 -10.174 3.105 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.355 -8.307 4.359 1.00 0.00 N ATOM 0 H ASN A 49 2.242 -7.427 5.041 1.00 0.00 H new ATOM 0 HA ASN A 49 2.487 -10.033 4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.543 -7.493 2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.710 -8.924 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.250 -8.569 4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.092 -7.429 4.624 1.00 0.00 H new ATOM 716 N ILE A 50 4.281 -8.006 2.302 1.00 0.00 N ATOM 717 CA ILE A 50 5.443 -7.928 1.433 1.00 0.00 C ATOM 718 C ILE A 50 6.622 -8.641 2.100 1.00 0.00 C ATOM 719 O ILE A 50 7.301 -9.448 1.468 1.00 0.00 O ATOM 720 CB ILE A 50 5.736 -6.474 1.059 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.566 -5.860 0.288 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.053 -6.361 0.288 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.483 -4.351 0.529 1.00 0.00 C ATOM 0 H ILE A 50 3.742 -7.143 2.372 1.00 0.00 H new ATOM 0 HA ILE A 50 5.250 -8.442 0.492 1.00 0.00 H new ATOM 0 HB ILE A 50 5.851 -5.901 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.685 -6.056 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.634 -6.333 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.238 -5.317 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.870 -6.734 0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.991 -6.951 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.643 -3.939 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.340 -4.160 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.407 -3.878 0.197 1.00 0.00 H new ATOM 735 N LEU A 51 6.828 -8.317 3.368 1.00 0.00 N ATOM 736 CA LEU A 51 7.912 -8.916 4.127 1.00 0.00 C ATOM 737 C LEU A 51 7.718 -10.433 4.176 1.00 0.00 C ATOM 738 O LEU A 51 8.671 -11.190 4.001 1.00 0.00 O ATOM 739 CB LEU A 51 8.022 -8.266 5.508 1.00 0.00 C ATOM 740 CG LEU A 51 9.078 -7.167 5.649 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.875 -6.374 6.941 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.490 -7.748 5.550 1.00 0.00 C ATOM 0 H LEU A 51 6.262 -7.647 3.889 1.00 0.00 H new ATOM 0 HA LEU A 51 8.867 -8.732 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.051 -7.845 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.237 -9.046 6.239 1.00 0.00 H new ATOM 0 HG LEU A 51 8.957 -6.469 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.638 -5.600 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.888 -5.911 6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.953 -7.045 7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.221 -6.946 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.639 -8.480 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.617 -8.232 4.582 1.00 0.00 H new ATOM 754 N GLU A 52 6.476 -10.831 4.413 1.00 0.00 N ATOM 755 CA GLU A 52 6.145 -12.243 4.486 1.00 0.00 C ATOM 756 C GLU A 52 5.813 -12.784 3.094 1.00 0.00 C ATOM 757 O GLU A 52 5.261 -13.875 2.963 1.00 0.00 O ATOM 758 CB GLU A 52 4.988 -12.485 5.458 1.00 0.00 C ATOM 759 CG GLU A 52 5.304 -11.910 6.840 1.00 0.00 C ATOM 760 CD GLU A 52 5.561 -13.027 7.854 1.00 0.00 C ATOM 761 OE1 GLU A 52 6.498 -13.816 7.603 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.816 -13.066 8.856 1.00 0.00 O ATOM 0 H GLU A 52 5.688 -10.200 4.557 1.00 0.00 H new ATOM 0 HA GLU A 52 7.014 -12.780 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.079 -12.026 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.795 -13.555 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.179 -11.263 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.473 -11.291 7.179 1.00 0.00 H new ATOM 769 N GLU A 53 6.164 -11.995 2.089 1.00 0.00 N ATOM 770 CA GLU A 53 5.910 -12.381 0.711 1.00 0.00 C ATOM 771 C GLU A 53 4.512 -12.989 0.579 1.00 0.00 C ATOM 772 O GLU A 53 4.296 -13.885 -0.236 1.00 0.00 O ATOM 773 CB GLU A 53 6.980 -13.351 0.208 1.00 0.00 C ATOM 774 CG GLU A 53 8.337 -12.655 0.084 1.00 0.00 C ATOM 775 CD GLU A 53 9.481 -13.671 0.134 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.804 -14.107 1.259 1.00 0.00 O ATOM 777 OE2 GLU A 53 10.006 -13.988 -0.956 1.00 0.00 O ATOM 0 H GLU A 53 6.622 -11.091 2.201 1.00 0.00 H new ATOM 0 HA GLU A 53 5.956 -11.487 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.062 -14.195 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.684 -13.754 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.380 -12.099 -0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.453 -11.931 0.890 1.00 0.00 H new ATOM 784 N ARG A 54 3.600 -12.478 1.393 1.00 0.00 N ATOM 785 CA ARG A 54 2.229 -12.960 1.377 1.00 0.00 C ATOM 786 C ARG A 54 1.335 -11.992 0.600 1.00 0.00 C ATOM 787 O ARG A 54 0.155 -11.844 0.913 1.00 0.00 O ATOM 788 CB ARG A 54 1.684 -13.117 2.798 1.00 0.00 C ATOM 789 CG ARG A 54 2.456 -14.194 3.565 1.00 0.00 C ATOM 790 CD ARG A 54 1.508 -15.059 4.398 1.00 0.00 C ATOM 791 NE ARG A 54 0.501 -15.697 3.520 1.00 0.00 N ATOM 792 CZ ARG A 54 -0.240 -16.755 3.873 1.00 0.00 C ATOM 793 NH1 ARG A 54 -0.094 -17.301 5.088 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.129 -17.268 3.011 1.00 0.00 N ATOM 0 H ARG A 54 3.783 -11.735 2.068 1.00 0.00 H new ATOM 0 HA ARG A 54 2.226 -13.935 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.757 -12.166 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.627 -13.380 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.005 -14.822 2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.193 -13.724 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.074 -15.823 4.931 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.011 -14.447 5.151 1.00 0.00 H new ATOM 0 HE ARG A 54 0.363 -15.306 2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.582 -16.911 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.659 -18.107 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.241 -16.852 2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.693 -18.074 3.280 1.00 0.00 H new ATOM 808 N LEU A 55 1.932 -11.357 -0.399 1.00 0.00 N ATOM 809 CA LEU A 55 1.205 -10.407 -1.223 1.00 0.00 C ATOM 810 C LEU A 55 0.145 -11.152 -2.038 1.00 0.00 C ATOM 811 O LEU A 55 0.459 -12.111 -2.742 1.00 0.00 O ATOM 812 CB LEU A 55 2.173 -9.587 -2.077 1.00 0.00 C ATOM 813 CG LEU A 55 2.753 -8.334 -1.418 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.675 -7.584 -2.382 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.641 -7.436 -0.874 1.00 0.00 C ATOM 0 H LEU A 55 2.911 -11.482 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 55 0.679 -9.685 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.999 -10.232 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.657 -9.288 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 55 3.360 -8.645 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.074 -6.698 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.497 -8.235 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.111 -7.285 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.081 -6.553 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.988 -7.130 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.061 -7.984 -0.132 1.00 0.00 H new ATOM 827 N ALA A 56 -1.088 -10.683 -1.916 1.00 0.00 N ATOM 828 CA ALA A 56 -2.195 -11.292 -2.632 1.00 0.00 C ATOM 829 C ALA A 56 -1.791 -11.517 -4.090 1.00 0.00 C ATOM 830 O ALA A 56 -0.854 -10.890 -4.583 1.00 0.00 O ATOM 831 CB ALA A 56 -3.437 -10.408 -2.500 1.00 0.00 C ATOM 0 H ALA A 56 -1.345 -9.888 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.441 -12.264 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.268 -10.865 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.699 -10.304 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.230 -9.424 -2.921 1.00 0.00 H new ATOM 837 N PRO A 57 -2.537 -12.438 -4.758 1.00 0.00 N ATOM 838 CA PRO A 57 -2.267 -12.753 -6.150 1.00 0.00 C ATOM 839 C PRO A 57 -2.759 -11.635 -7.072 1.00 0.00 C ATOM 840 O PRO A 57 -2.248 -11.467 -8.178 1.00 0.00 O ATOM 841 CB PRO A 57 -2.969 -14.078 -6.397 1.00 0.00 C ATOM 842 CG PRO A 57 -3.987 -14.225 -5.279 1.00 0.00 C ATOM 843 CD PRO A 57 -3.654 -13.199 -4.207 1.00 0.00 C ATOM 0 HA PRO A 57 -1.201 -12.836 -6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.456 -14.086 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.258 -14.904 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.996 -14.067 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.957 -15.233 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.507 -12.554 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.380 -13.681 -3.269 1.00 0.00 H new ATOM 851 N THR A 58 -3.745 -10.898 -6.581 1.00 0.00 N ATOM 852 CA THR A 58 -4.312 -9.801 -7.346 1.00 0.00 C ATOM 853 C THR A 58 -3.446 -8.548 -7.203 1.00 0.00 C ATOM 854 O THR A 58 -3.372 -7.732 -8.120 1.00 0.00 O ATOM 855 CB THR A 58 -5.756 -9.598 -6.883 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.472 -10.662 -7.503 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.387 -8.333 -7.469 1.00 0.00 C ATOM 0 H THR A 58 -4.165 -11.039 -5.663 1.00 0.00 H new ATOM 0 HA THR A 58 -4.327 -10.028 -8.412 1.00 0.00 H new ATOM 0 HB THR A 58 -5.784 -9.547 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.418 -10.608 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.411 -8.237 -7.109 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.810 -7.462 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.390 -8.398 -8.557 1.00 0.00 H new ATOM 865 N LEU A 59 -2.813 -8.434 -6.045 1.00 0.00 N ATOM 866 CA LEU A 59 -1.955 -7.294 -5.770 1.00 0.00 C ATOM 867 C LEU A 59 -0.554 -7.571 -6.320 1.00 0.00 C ATOM 868 O LEU A 59 0.030 -6.723 -6.994 1.00 0.00 O ATOM 869 CB LEU A 59 -1.973 -6.958 -4.277 1.00 0.00 C ATOM 870 CG LEU A 59 -3.354 -6.889 -3.622 1.00 0.00 C ATOM 871 CD1 LEU A 59 -3.234 -6.749 -2.104 1.00 0.00 C ATOM 872 CD2 LEU A 59 -4.197 -5.769 -4.236 1.00 0.00 C ATOM 0 H LEU A 59 -2.877 -9.112 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.328 -6.405 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.379 -7.705 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.477 -5.998 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.873 -7.827 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.230 -6.702 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.699 -7.608 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.688 -5.836 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.174 -5.742 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.693 -4.813 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.325 -5.953 -5.303 1.00 0.00 H new ATOM 884 N SER A 60 -0.057 -8.760 -6.014 1.00 0.00 N ATOM 885 CA SER A 60 1.264 -9.158 -6.469 1.00 0.00 C ATOM 886 C SER A 60 1.354 -9.028 -7.991 1.00 0.00 C ATOM 887 O SER A 60 2.434 -8.807 -8.536 1.00 0.00 O ATOM 888 CB SER A 60 1.586 -10.591 -6.040 1.00 0.00 C ATOM 889 OG SER A 60 2.909 -10.974 -6.406 1.00 0.00 O ATOM 0 H SER A 60 -0.545 -9.461 -5.456 1.00 0.00 H new ATOM 0 HA SER A 60 1.998 -8.496 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.468 -10.681 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.871 -11.275 -6.497 1.00 0.00 H new ATOM 0 HG SER A 60 3.076 -11.894 -6.113 1.00 0.00 H new ATOM 895 N GLN A 61 0.204 -9.170 -8.634 1.00 0.00 N ATOM 896 CA GLN A 61 0.140 -9.071 -10.082 1.00 0.00 C ATOM 897 C GLN A 61 0.376 -7.626 -10.527 1.00 0.00 C ATOM 898 O GLN A 61 1.066 -7.382 -11.515 1.00 0.00 O ATOM 899 CB GLN A 61 -1.198 -9.595 -10.609 1.00 0.00 C ATOM 900 CG GLN A 61 -1.197 -11.123 -10.683 1.00 0.00 C ATOM 901 CD GLN A 61 -0.577 -11.608 -11.995 1.00 0.00 C ATOM 902 OE1 GLN A 61 0.561 -11.312 -12.320 1.00 0.00 O ATOM 903 NE2 GLN A 61 -1.387 -12.367 -12.729 1.00 0.00 N ATOM 0 H GLN A 61 -0.690 -9.353 -8.179 1.00 0.00 H new ATOM 0 HA GLN A 61 0.929 -9.694 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.006 -9.259 -9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.391 -9.179 -11.598 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.639 -11.531 -9.840 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.218 -11.495 -10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.329 -12.577 -12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.066 -12.739 -13.623 1.00 0.00 H new ATOM 912 N LEU A 62 -0.211 -6.706 -9.775 1.00 0.00 N ATOM 913 CA LEU A 62 -0.073 -5.292 -10.079 1.00 0.00 C ATOM 914 C LEU A 62 1.412 -4.941 -10.189 1.00 0.00 C ATOM 915 O LEU A 62 2.207 -5.313 -9.327 1.00 0.00 O ATOM 916 CB LEU A 62 -0.830 -4.447 -9.053 1.00 0.00 C ATOM 917 CG LEU A 62 -2.257 -4.899 -8.734 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.954 -3.900 -7.808 1.00 0.00 C ATOM 919 CD2 LEU A 62 -3.054 -5.145 -10.016 1.00 0.00 C ATOM 0 H LEU A 62 -0.783 -6.912 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.527 -5.064 -11.043 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.257 -4.438 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.868 -3.419 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.204 -5.849 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.966 -4.245 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.396 -3.819 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.996 -2.924 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.064 -5.465 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.101 -4.224 -10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.565 -5.921 -10.605 1.00 0.00 H new ATOM 931 N ASP A 63 1.742 -4.229 -11.257 1.00 0.00 N ATOM 932 CA ASP A 63 3.117 -3.824 -11.491 1.00 0.00 C ATOM 933 C ASP A 63 3.737 -3.356 -10.173 1.00 0.00 C ATOM 934 O ASP A 63 3.214 -2.452 -9.523 1.00 0.00 O ATOM 935 CB ASP A 63 3.188 -2.663 -12.485 1.00 0.00 C ATOM 936 CG ASP A 63 4.356 -2.726 -13.471 1.00 0.00 C ATOM 937 OD1 ASP A 63 5.507 -2.628 -12.994 1.00 0.00 O ATOM 938 OD2 ASP A 63 4.071 -2.871 -14.679 1.00 0.00 O ATOM 0 H ASP A 63 1.080 -3.922 -11.970 1.00 0.00 H new ATOM 0 HA ASP A 63 3.656 -4.680 -11.897 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.257 -2.631 -13.050 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.254 -1.730 -11.926 1.00 0.00 H new ATOM 943 N ARG A 64 4.844 -3.992 -9.817 1.00 0.00 N ATOM 944 CA ARG A 64 5.541 -3.652 -8.589 1.00 0.00 C ATOM 945 C ARG A 64 5.847 -2.154 -8.549 1.00 0.00 C ATOM 946 O ARG A 64 5.865 -1.549 -7.478 1.00 0.00 O ATOM 947 CB ARG A 64 6.849 -4.436 -8.463 1.00 0.00 C ATOM 948 CG ARG A 64 6.579 -5.902 -8.118 1.00 0.00 C ATOM 949 CD ARG A 64 7.389 -6.336 -6.895 1.00 0.00 C ATOM 950 NE ARG A 64 8.801 -6.563 -7.277 1.00 0.00 N ATOM 951 CZ ARG A 64 9.220 -7.592 -8.026 1.00 0.00 C ATOM 952 NH1 ARG A 64 8.338 -8.495 -8.478 1.00 0.00 N ATOM 953 NH2 ARG A 64 10.520 -7.718 -8.324 1.00 0.00 N ATOM 0 H ARG A 64 5.275 -4.741 -10.358 1.00 0.00 H new ATOM 0 HA ARG A 64 4.890 -3.916 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.405 -4.375 -9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.474 -3.986 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.516 -6.044 -7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.834 -6.533 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.332 -5.571 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.966 -7.248 -6.474 1.00 0.00 H new ATOM 0 HE ARG A 64 9.498 -5.895 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.348 -8.399 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.657 -9.278 -9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.191 -7.031 -7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.839 -8.501 -8.894 1.00 0.00 H new ATOM 967 N ASN A 65 6.079 -1.598 -9.729 1.00 0.00 N ATOM 968 CA ASN A 65 6.382 -0.182 -9.842 1.00 0.00 C ATOM 969 C ASN A 65 5.216 0.532 -10.529 1.00 0.00 C ATOM 970 O ASN A 65 5.413 1.245 -11.512 1.00 0.00 O ATOM 971 CB ASN A 65 7.639 0.047 -10.685 1.00 0.00 C ATOM 972 CG ASN A 65 8.787 -0.846 -10.210 1.00 0.00 C ATOM 973 OD1 ASN A 65 8.659 -1.624 -9.279 1.00 0.00 O ATOM 974 ND2 ASN A 65 9.913 -0.693 -10.901 1.00 0.00 N ATOM 0 H ASN A 65 6.063 -2.103 -10.615 1.00 0.00 H new ATOM 0 HA ASN A 65 6.545 0.209 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.421 -0.161 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.938 1.093 -10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.737 -1.245 -10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.953 -0.024 -11.670 1.00 0.00 H new ATOM 981 N LEU A 66 4.028 0.316 -9.985 1.00 0.00 N ATOM 982 CA LEU A 66 2.831 0.929 -10.533 1.00 0.00 C ATOM 983 C LEU A 66 2.737 2.377 -10.048 1.00 0.00 C ATOM 984 O LEU A 66 3.029 2.668 -8.888 1.00 0.00 O ATOM 985 CB LEU A 66 1.597 0.088 -10.199 1.00 0.00 C ATOM 986 CG LEU A 66 0.325 0.424 -10.981 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.153 -0.515 -12.176 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.900 0.416 -10.064 1.00 0.00 C ATOM 0 H LEU A 66 3.869 -0.276 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 66 2.883 0.959 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.839 -0.961 -10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.385 0.196 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 66 0.424 1.435 -11.377 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.758 -0.255 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.010 -0.416 -12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.085 -1.544 -11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.790 0.658 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.014 -0.572 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.769 1.157 -9.275 1.00 0.00 H new ATOM 1000 N ASP A 67 2.330 3.248 -10.959 1.00 0.00 N ATOM 1001 CA ASP A 67 2.194 4.659 -10.639 1.00 0.00 C ATOM 1002 C ASP A 67 0.716 4.987 -10.417 1.00 0.00 C ATOM 1003 O ASP A 67 -0.156 4.172 -10.713 1.00 0.00 O ATOM 1004 CB ASP A 67 2.707 5.535 -11.784 1.00 0.00 C ATOM 1005 CG ASP A 67 2.537 7.041 -11.571 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.954 7.512 -10.491 1.00 0.00 O ATOM 1007 OD2 ASP A 67 1.994 7.687 -12.494 1.00 0.00 O ATOM 0 H ASP A 67 2.090 3.004 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 67 2.779 4.860 -9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.765 5.322 -11.939 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.188 5.252 -12.699 1.00 0.00 H new