USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 Single : A 17 GLN : amide:sc= 0.0176 X(o=0.018,f=-0.072) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 23 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0933 F(o=-1.9!,f=-0.093) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.1) USER MOD Single : A 44 THR OG1 : rot -65:sc= 0.833 USER MOD Single : A 48 THR OG1 : rot 66:sc= -0.801! USER MOD Single : A 49 SER OG : rot -89:sc= 0.849 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -87:sc= 0.592 USER MOD Single : A 59 GLN :FLIP amide:sc= -1.04 F(o=-4.5!,f=-1) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 MET CE :methyl 134:sc= -0.464 (180deg=-1.06) USER MOD Single : B 81 GLN : amide:sc= -0.0527 K(o=-0.053,f=-1.5!) USER MOD Single : B 84 MET CE :methyl -177:sc= -1.67 (180deg=-1.73!) USER MOD Single : B 85 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.28) USER MOD Single : B 86 HIS : no HD1:sc= -0.882! C(o=-0.88!,f=-4.9!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= -0.0888 F(o=-0.92,f=-0.089) USER MOD Single : B 93 GLN : amide:sc= 0.126 X(o=0.13,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 0.397 9.845 -3.688 1.00 0.00 N ATOM 169 CA VAL A 12 0.126 9.588 -2.274 1.00 0.00 C ATOM 170 C VAL A 12 1.380 9.114 -1.528 1.00 0.00 C ATOM 171 O VAL A 12 1.426 7.998 -1.013 1.00 0.00 O ATOM 172 CB VAL A 12 -0.974 8.519 -2.144 1.00 0.00 C ATOM 173 CG1 VAL A 12 -1.446 8.396 -0.707 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.140 8.834 -3.067 1.00 0.00 C ATOM 0 HA VAL A 12 -0.201 10.526 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.549 7.560 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.223 7.634 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.607 8.113 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.848 9.353 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.906 8.066 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.560 9.805 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.791 8.857 -4.099 1.00 0.00 H new ATOM 184 N GLY A 13 2.402 9.960 -1.495 1.00 0.00 N ATOM 185 CA GLY A 13 3.649 9.603 -0.842 1.00 0.00 C ATOM 186 C GLY A 13 4.334 8.435 -1.523 1.00 0.00 C ATOM 187 O GLY A 13 5.286 7.863 -0.997 1.00 0.00 O ATOM 0 H GLY A 13 2.390 10.891 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.317 10.464 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.453 9.351 0.200 1.00 0.00 H new ATOM 191 N TRP A 14 3.832 8.080 -2.695 1.00 0.00 N ATOM 192 CA TRP A 14 4.357 6.954 -3.440 1.00 0.00 C ATOM 193 C TRP A 14 5.239 7.421 -4.589 1.00 0.00 C ATOM 194 O TRP A 14 4.871 8.325 -5.342 1.00 0.00 O ATOM 195 CB TRP A 14 3.206 6.091 -3.971 1.00 0.00 C ATOM 196 CG TRP A 14 3.661 4.967 -4.851 1.00 0.00 C ATOM 197 CD1 TRP A 14 4.241 3.799 -4.454 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.574 4.907 -6.279 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.528 3.020 -5.547 1.00 0.00 N ATOM 200 CE2 TRP A 14 4.125 3.676 -6.679 1.00 0.00 C ATOM 201 CE3 TRP A 14 3.083 5.777 -7.257 1.00 0.00 C ATOM 202 CZ2 TRP A 14 4.199 3.295 -8.016 1.00 0.00 C ATOM 203 CZ3 TRP A 14 3.158 5.398 -8.582 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.710 4.166 -8.952 1.00 0.00 C ATOM 0 H TRP A 14 3.056 8.561 -3.151 1.00 0.00 H new ATOM 0 HA TRP A 14 4.970 6.355 -2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.651 5.680 -3.128 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.516 6.723 -4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.445 3.526 -3.429 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.970 2.101 -5.520 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.653 6.728 -6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.627 2.346 -8.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.784 6.063 -9.346 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.751 3.897 -9.997 1.00 0.00 H new ATOM 215 N ASP A 15 6.406 6.807 -4.704 1.00 0.00 N ATOM 216 CA ASP A 15 7.301 7.059 -5.820 1.00 0.00 C ATOM 217 C ASP A 15 7.379 5.799 -6.678 1.00 0.00 C ATOM 218 O ASP A 15 7.506 4.701 -6.145 1.00 0.00 O ATOM 219 CB ASP A 15 8.695 7.445 -5.319 1.00 0.00 C ATOM 220 CG ASP A 15 9.428 8.367 -6.271 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.212 9.591 -6.209 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.216 7.864 -7.102 1.00 0.00 O ATOM 0 H ASP A 15 6.757 6.125 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 15 6.917 7.889 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.605 7.931 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.285 6.541 -5.170 1.00 0.00 H new ATOM 227 N PRO A 16 7.300 5.945 -8.006 1.00 0.00 N ATOM 228 CA PRO A 16 7.200 4.819 -8.951 1.00 0.00 C ATOM 229 C PRO A 16 8.172 3.668 -8.667 1.00 0.00 C ATOM 230 O PRO A 16 7.759 2.525 -8.473 1.00 0.00 O ATOM 231 CB PRO A 16 7.532 5.466 -10.294 1.00 0.00 C ATOM 232 CG PRO A 16 7.108 6.884 -10.148 1.00 0.00 C ATOM 233 CD PRO A 16 7.307 7.241 -8.698 1.00 0.00 C ATOM 0 HA PRO A 16 6.217 4.352 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.597 5.392 -10.516 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.001 4.977 -11.111 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.699 7.534 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.065 7.009 -10.439 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.247 7.771 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.511 7.891 -8.335 1.00 0.00 H new ATOM 241 N GLN A 17 9.458 3.977 -8.649 1.00 0.00 N ATOM 242 CA GLN A 17 10.495 2.962 -8.504 1.00 0.00 C ATOM 243 C GLN A 17 10.883 2.760 -7.044 1.00 0.00 C ATOM 244 O GLN A 17 11.378 1.695 -6.664 1.00 0.00 O ATOM 245 CB GLN A 17 11.714 3.388 -9.310 1.00 0.00 C ATOM 246 CG GLN A 17 12.805 2.338 -9.397 1.00 0.00 C ATOM 247 CD GLN A 17 12.331 1.049 -10.034 1.00 0.00 C ATOM 248 OE1 GLN A 17 12.370 0.887 -11.255 1.00 0.00 O ATOM 249 NE2 GLN A 17 11.895 0.119 -9.206 1.00 0.00 N ATOM 0 H GLN A 17 9.813 4.929 -8.734 1.00 0.00 H new ATOM 0 HA GLN A 17 10.108 2.013 -8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.395 3.647 -10.319 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.131 4.292 -8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.641 2.736 -9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.180 2.126 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.880 0.297 -8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.573 -0.778 -9.570 1.00 0.00 H new ATOM 258 N ASN A 18 10.652 3.777 -6.231 1.00 0.00 N ATOM 259 CA ASN A 18 11.117 3.768 -4.848 1.00 0.00 C ATOM 260 C ASN A 18 10.076 3.161 -3.911 1.00 0.00 C ATOM 261 O ASN A 18 10.419 2.537 -2.910 1.00 0.00 O ATOM 262 CB ASN A 18 11.459 5.194 -4.415 1.00 0.00 C ATOM 263 CG ASN A 18 12.041 5.275 -3.016 1.00 0.00 C ATOM 264 OD1 ASN A 18 12.723 4.362 -2.547 1.00 0.00 O ATOM 265 ND2 ASN A 18 11.782 6.382 -2.344 1.00 0.00 N ATOM 0 H ASN A 18 10.146 4.620 -6.501 1.00 0.00 H new ATOM 0 HA ASN A 18 12.010 3.146 -4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.171 5.620 -5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.558 5.806 -4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.151 6.504 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.213 7.115 -2.768 1.00 0.00 H new ATOM 272 N GLY A 19 8.809 3.343 -4.246 1.00 0.00 N ATOM 273 CA GLY A 19 7.740 2.820 -3.426 1.00 0.00 C ATOM 274 C GLY A 19 7.128 3.889 -2.548 1.00 0.00 C ATOM 275 O GLY A 19 7.323 5.082 -2.786 1.00 0.00 O ATOM 0 H GLY A 19 8.501 3.847 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.969 2.390 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.123 2.013 -2.802 1.00 0.00 H new ATOM 279 N PHE A 20 6.382 3.464 -1.541 1.00 0.00 N ATOM 280 CA PHE A 20 5.781 4.380 -0.582 1.00 0.00 C ATOM 281 C PHE A 20 6.838 4.886 0.384 1.00 0.00 C ATOM 282 O PHE A 20 7.638 4.103 0.899 1.00 0.00 O ATOM 283 CB PHE A 20 4.673 3.687 0.221 1.00 0.00 C ATOM 284 CG PHE A 20 3.343 3.590 -0.476 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.513 4.695 -0.584 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.938 2.396 -1.052 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.303 4.608 -1.248 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.732 2.305 -1.721 1.00 0.00 C ATOM 289 CZ PHE A 20 0.857 3.408 -1.710 1.00 0.00 C ATOM 0 H PHE A 20 6.176 2.481 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 20 5.351 5.212 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.006 2.681 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.535 4.225 1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.815 5.634 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.573 1.526 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.709 5.497 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.464 1.400 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.158 3.303 -2.065 1.00 0.00 H new ATOM 299 N ASP A 21 6.845 6.184 0.631 1.00 0.00 N ATOM 300 CA ASP A 21 7.756 6.750 1.610 1.00 0.00 C ATOM 301 C ASP A 21 7.219 6.494 3.005 1.00 0.00 C ATOM 302 O ASP A 21 6.173 7.017 3.384 1.00 0.00 O ATOM 303 CB ASP A 21 7.963 8.252 1.396 1.00 0.00 C ATOM 304 CG ASP A 21 8.777 8.880 2.515 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.747 8.247 2.981 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.427 9.994 2.956 1.00 0.00 O ATOM 0 H ASP A 21 6.236 6.861 0.172 1.00 0.00 H new ATOM 0 HA ASP A 21 8.725 6.266 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.468 8.416 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.993 8.746 1.332 1.00 0.00 H new ATOM 311 N VAL A 22 7.942 5.684 3.759 1.00 0.00 N ATOM 312 CA VAL A 22 7.531 5.306 5.101 1.00 0.00 C ATOM 313 C VAL A 22 7.615 6.484 6.073 1.00 0.00 C ATOM 314 O VAL A 22 7.129 6.407 7.203 1.00 0.00 O ATOM 315 CB VAL A 22 8.363 4.122 5.626 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.908 2.826 4.970 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.848 4.339 5.369 1.00 0.00 C ATOM 0 H VAL A 22 8.826 5.271 3.461 1.00 0.00 H new ATOM 0 HA VAL A 22 6.488 4.996 5.038 1.00 0.00 H new ATOM 0 HB VAL A 22 8.207 4.053 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.505 1.997 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.857 2.652 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.036 2.900 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.411 3.487 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.021 4.438 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.176 5.247 5.875 1.00 0.00 H new ATOM 327 N ASN A 23 8.219 7.576 5.625 1.00 0.00 N ATOM 328 CA ASN A 23 8.259 8.799 6.413 1.00 0.00 C ATOM 329 C ASN A 23 6.963 9.584 6.237 1.00 0.00 C ATOM 330 O ASN A 23 6.362 10.035 7.212 1.00 0.00 O ATOM 331 CB ASN A 23 9.471 9.653 6.022 1.00 0.00 C ATOM 332 CG ASN A 23 9.400 11.068 6.570 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.774 11.326 7.716 1.00 0.00 O ATOM 334 ND2 ASN A 23 8.946 11.997 5.745 1.00 0.00 N ATOM 0 H ASN A 23 8.687 7.640 4.721 1.00 0.00 H new ATOM 0 HA ASN A 23 8.359 8.532 7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.380 9.173 6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.545 9.693 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.896 12.969 6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.646 11.741 4.804 1.00 0.00 H new ATOM 341 N ASN A 24 6.527 9.734 4.995 1.00 0.00 N ATOM 342 CA ASN A 24 5.284 10.436 4.699 1.00 0.00 C ATOM 343 C ASN A 24 4.159 9.459 4.384 1.00 0.00 C ATOM 344 O ASN A 24 3.383 9.673 3.457 1.00 0.00 O ATOM 345 CB ASN A 24 5.462 11.411 3.530 1.00 0.00 C ATOM 346 CG ASN A 24 6.187 12.685 3.926 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.028 13.102 5.173 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 6.872 13.305 3.109 1.00 0.00 N flip ATOM 0 H ASN A 24 7.016 9.379 4.173 1.00 0.00 H new ATOM 0 HA ASN A 24 5.016 11.002 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.017 10.916 2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.483 11.667 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.972 12.954 2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.338 14.169 3.386 1.00 0.00 H new ATOM 355 N LEU A 25 4.077 8.383 5.151 1.00 0.00 N ATOM 356 CA LEU A 25 2.977 7.443 5.008 1.00 0.00 C ATOM 357 C LEU A 25 1.715 8.011 5.629 1.00 0.00 C ATOM 358 O LEU A 25 1.714 8.415 6.796 1.00 0.00 O ATOM 359 CB LEU A 25 3.311 6.093 5.651 1.00 0.00 C ATOM 360 CG LEU A 25 4.080 5.119 4.763 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.374 3.835 5.519 1.00 0.00 C ATOM 362 CD2 LEU A 25 3.292 4.814 3.502 1.00 0.00 C ATOM 0 H LEU A 25 4.754 8.140 5.874 1.00 0.00 H new ATOM 0 HA LEU A 25 2.813 7.282 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.895 6.274 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.381 5.618 5.963 1.00 0.00 H new ATOM 0 HG LEU A 25 5.024 5.584 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.923 3.150 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.974 4.061 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.437 3.371 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.855 4.118 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.334 4.368 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.120 5.737 2.948 1.00 0.00 H new ATOM 374 N ASP A 26 0.657 8.065 4.833 1.00 0.00 N ATOM 375 CA ASP A 26 -0.647 8.503 5.309 1.00 0.00 C ATOM 376 C ASP A 26 -1.075 7.655 6.503 1.00 0.00 C ATOM 377 O ASP A 26 -0.966 6.429 6.484 1.00 0.00 O ATOM 378 CB ASP A 26 -1.681 8.390 4.185 1.00 0.00 C ATOM 379 CG ASP A 26 -3.084 8.725 4.649 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.748 7.843 5.241 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.530 9.869 4.412 1.00 0.00 O ATOM 0 H ASP A 26 0.677 7.808 3.846 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.580 9.545 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.402 9.059 3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.667 7.377 3.784 1.00 0.00 H new ATOM 386 N PRO A 27 -1.543 8.335 7.570 1.00 0.00 N ATOM 387 CA PRO A 27 -1.919 7.708 8.847 1.00 0.00 C ATOM 388 C PRO A 27 -2.845 6.505 8.698 1.00 0.00 C ATOM 389 O PRO A 27 -2.748 5.549 9.472 1.00 0.00 O ATOM 390 CB PRO A 27 -2.641 8.829 9.593 1.00 0.00 C ATOM 391 CG PRO A 27 -2.059 10.084 9.049 1.00 0.00 C ATOM 392 CD PRO A 27 -1.726 9.800 7.610 1.00 0.00 C ATOM 0 HA PRO A 27 -1.040 7.312 9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.717 8.787 9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.483 8.754 10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.767 10.909 9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.168 10.373 9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.527 10.121 6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.823 10.324 7.298 1.00 0.00 H new ATOM 400 N ASP A 28 -3.732 6.542 7.712 1.00 0.00 N ATOM 401 CA ASP A 28 -4.692 5.462 7.525 1.00 0.00 C ATOM 402 C ASP A 28 -4.083 4.359 6.676 1.00 0.00 C ATOM 403 O ASP A 28 -4.290 3.175 6.944 1.00 0.00 O ATOM 404 CB ASP A 28 -5.995 5.979 6.908 1.00 0.00 C ATOM 405 CG ASP A 28 -6.777 6.845 7.879 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.339 6.298 8.852 1.00 0.00 O ATOM 407 OD2 ASP A 28 -6.828 8.078 7.684 1.00 0.00 O ATOM 0 H ASP A 28 -3.807 7.301 7.035 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.937 5.048 8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.768 6.554 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.610 5.134 6.598 1.00 0.00 H new ATOM 412 N LEU A 29 -3.325 4.747 5.654 1.00 0.00 N ATOM 413 CA LEU A 29 -2.516 3.808 4.900 1.00 0.00 C ATOM 414 C LEU A 29 -1.612 3.010 5.829 1.00 0.00 C ATOM 415 O LEU A 29 -1.560 1.783 5.760 1.00 0.00 O ATOM 416 CB LEU A 29 -1.665 4.567 3.889 1.00 0.00 C ATOM 417 CG LEU A 29 -2.325 4.839 2.539 1.00 0.00 C ATOM 418 CD1 LEU A 29 -3.701 5.452 2.700 1.00 0.00 C ATOM 419 CD2 LEU A 29 -1.439 5.742 1.702 1.00 0.00 C ATOM 0 H LEU A 29 -3.258 5.712 5.331 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.179 3.116 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.375 5.521 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.748 4.003 3.717 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.451 3.884 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.137 5.630 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.339 4.770 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.618 6.397 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.917 5.931 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.286 6.687 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.476 5.258 1.539 1.00 0.00 H new ATOM 431 N ARG A 30 -0.913 3.726 6.702 1.00 0.00 N ATOM 432 CA ARG A 30 -0.012 3.119 7.671 1.00 0.00 C ATOM 433 C ARG A 30 -0.748 2.045 8.473 1.00 0.00 C ATOM 434 O ARG A 30 -0.232 0.944 8.675 1.00 0.00 O ATOM 435 CB ARG A 30 0.540 4.216 8.591 1.00 0.00 C ATOM 436 CG ARG A 30 1.826 3.862 9.335 1.00 0.00 C ATOM 437 CD ARG A 30 1.621 2.803 10.406 1.00 0.00 C ATOM 438 NE ARG A 30 0.549 3.153 11.334 1.00 0.00 N ATOM 439 CZ ARG A 30 0.386 2.593 12.532 1.00 0.00 C ATOM 440 NH1 ARG A 30 1.308 1.770 13.021 1.00 0.00 N ATOM 441 NH2 ARG A 30 -0.685 2.893 13.254 1.00 0.00 N ATOM 0 H ARG A 30 -0.956 4.744 6.757 1.00 0.00 H new ATOM 0 HA ARG A 30 0.819 2.637 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.720 5.110 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.225 4.471 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.568 3.508 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.232 4.763 9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.390 1.849 9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.549 2.667 10.961 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.116 3.871 11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.147 1.564 12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.177 1.345 13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.377 3.548 12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.817 2.468 14.172 1.00 0.00 H new ATOM 455 N SER A 31 -1.970 2.367 8.892 1.00 0.00 N ATOM 456 CA SER A 31 -2.789 1.446 9.669 1.00 0.00 C ATOM 457 C SER A 31 -3.133 0.209 8.841 1.00 0.00 C ATOM 458 O SER A 31 -2.943 -0.925 9.285 1.00 0.00 O ATOM 459 CB SER A 31 -4.081 2.138 10.125 1.00 0.00 C ATOM 460 OG SER A 31 -4.748 1.384 11.125 1.00 0.00 O ATOM 0 H SER A 31 -2.415 3.265 8.704 1.00 0.00 H new ATOM 0 HA SER A 31 -2.220 1.138 10.546 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.847 3.130 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.743 2.276 9.270 1.00 0.00 H new ATOM 0 HG SER A 31 -5.566 1.851 11.396 1.00 0.00 H new ATOM 466 N LEU A 32 -3.622 0.440 7.626 1.00 0.00 N ATOM 467 CA LEU A 32 -4.073 -0.643 6.764 1.00 0.00 C ATOM 468 C LEU A 32 -2.942 -1.575 6.379 1.00 0.00 C ATOM 469 O LEU A 32 -3.054 -2.790 6.516 1.00 0.00 O ATOM 470 CB LEU A 32 -4.698 -0.110 5.482 1.00 0.00 C ATOM 471 CG LEU A 32 -5.052 -1.209 4.485 1.00 0.00 C ATOM 472 CD1 LEU A 32 -6.048 -2.172 5.104 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.590 -0.626 3.191 1.00 0.00 C ATOM 0 H LEU A 32 -3.715 1.370 7.217 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.815 -1.193 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.599 0.451 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.007 0.590 5.012 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.142 -1.758 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.294 -2.953 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.612 -2.624 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.954 -1.632 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.833 -1.434 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.488 -0.045 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.836 0.020 2.742 1.00 0.00 H new ATOM 485 N PHE A 33 -1.864 -1.001 5.880 1.00 0.00 N ATOM 486 CA PHE A 33 -0.765 -1.789 5.342 1.00 0.00 C ATOM 487 C PHE A 33 -0.173 -2.681 6.427 1.00 0.00 C ATOM 488 O PHE A 33 0.297 -3.779 6.147 1.00 0.00 O ATOM 489 CB PHE A 33 0.311 -0.884 4.733 1.00 0.00 C ATOM 490 CG PHE A 33 -0.195 0.052 3.664 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.370 -0.243 2.986 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.492 1.220 3.328 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.849 0.597 2.004 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.014 2.056 2.343 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.101 1.808 1.709 1.00 0.00 C ATOM 0 H PHE A 33 -1.723 0.008 5.835 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.155 -2.425 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.766 -0.295 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.097 -1.509 4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.916 -1.142 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.407 1.470 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.756 0.362 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.577 2.942 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.467 2.502 0.967 1.00 0.00 H new ATOM 505 N SER A 34 -0.233 -2.211 7.670 1.00 0.00 N ATOM 506 CA SER A 34 0.198 -3.004 8.814 1.00 0.00 C ATOM 507 C SER A 34 -0.681 -4.251 8.949 1.00 0.00 C ATOM 508 O SER A 34 -0.188 -5.354 9.195 1.00 0.00 O ATOM 509 CB SER A 34 0.141 -2.156 10.086 1.00 0.00 C ATOM 510 OG SER A 34 0.519 -2.900 11.230 1.00 0.00 O ATOM 0 H SER A 34 -0.577 -1.281 7.910 1.00 0.00 H new ATOM 0 HA SER A 34 1.228 -3.327 8.661 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.800 -1.294 9.978 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.869 -1.770 10.221 1.00 0.00 H new ATOM 0 HG SER A 34 0.472 -2.326 12.023 1.00 0.00 H new ATOM 516 N ARG A 35 -1.985 -4.063 8.761 1.00 0.00 N ATOM 517 CA ARG A 35 -2.944 -5.165 8.772 1.00 0.00 C ATOM 518 C ARG A 35 -2.705 -6.106 7.598 1.00 0.00 C ATOM 519 O ARG A 35 -2.812 -7.327 7.725 1.00 0.00 O ATOM 520 CB ARG A 35 -4.369 -4.630 8.680 1.00 0.00 C ATOM 521 CG ARG A 35 -4.902 -4.084 9.981 1.00 0.00 C ATOM 522 CD ARG A 35 -6.153 -3.256 9.736 1.00 0.00 C ATOM 523 NE ARG A 35 -6.810 -2.837 10.972 1.00 0.00 N ATOM 524 CZ ARG A 35 -8.133 -2.699 11.091 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.931 -3.012 10.075 1.00 0.00 N ATOM 526 NH2 ARG A 35 -8.663 -2.269 12.227 1.00 0.00 N ATOM 0 H ARG A 35 -2.405 -3.148 8.598 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.809 -5.709 9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.403 -3.844 7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.025 -5.430 8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.129 -4.905 10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.141 -3.471 10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.890 -2.373 9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.855 -3.836 9.136 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.228 -2.640 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.533 -3.358 9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.941 -2.906 10.168 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.060 -2.041 13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.674 -2.166 12.311 1.00 0.00 H new ATOM 540 N ALA A 36 -2.390 -5.514 6.453 1.00 0.00 N ATOM 541 CA ALA A 36 -2.222 -6.259 5.212 1.00 0.00 C ATOM 542 C ALA A 36 -0.883 -6.999 5.174 1.00 0.00 C ATOM 543 O ALA A 36 -0.645 -7.821 4.291 1.00 0.00 O ATOM 544 CB ALA A 36 -2.362 -5.320 4.019 1.00 0.00 C ATOM 0 H ALA A 36 -2.244 -4.509 6.358 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.006 -7.014 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.235 -5.884 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.351 -4.861 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.600 -4.542 4.077 1.00 0.00 H new ATOM 550 N GLY A 37 -0.011 -6.690 6.130 1.00 0.00 N ATOM 551 CA GLY A 37 1.261 -7.387 6.239 1.00 0.00 C ATOM 552 C GLY A 37 2.394 -6.632 5.578 1.00 0.00 C ATOM 553 O GLY A 37 3.569 -6.970 5.754 1.00 0.00 O ATOM 0 H GLY A 37 -0.163 -5.967 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.498 -7.542 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.171 -8.373 5.784 1.00 0.00 H new ATOM 557 N ILE A 38 2.040 -5.603 4.826 1.00 0.00 N ATOM 558 CA ILE A 38 3.007 -4.797 4.103 1.00 0.00 C ATOM 559 C ILE A 38 3.903 -4.023 5.067 1.00 0.00 C ATOM 560 O ILE A 38 3.471 -3.053 5.690 1.00 0.00 O ATOM 561 CB ILE A 38 2.304 -3.794 3.175 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.132 -4.455 2.445 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.301 -3.244 2.172 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.113 -3.465 1.931 1.00 0.00 C ATOM 0 H ILE A 38 1.073 -5.304 4.700 1.00 0.00 H new ATOM 0 HA ILE A 38 3.614 -5.480 3.509 1.00 0.00 H new ATOM 0 HB ILE A 38 1.909 -2.977 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.517 -5.038 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.640 -5.154 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.801 -2.533 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.110 -2.741 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.709 -4.062 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.690 -4.000 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.298 -2.899 2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.592 -2.781 1.230 1.00 0.00 H new ATOM 576 N SER A 39 5.148 -4.459 5.184 1.00 0.00 N ATOM 577 CA SER A 39 6.109 -3.798 6.054 1.00 0.00 C ATOM 578 C SER A 39 6.894 -2.729 5.290 1.00 0.00 C ATOM 579 O SER A 39 6.682 -2.549 4.086 1.00 0.00 O ATOM 580 CB SER A 39 7.050 -4.835 6.652 1.00 0.00 C ATOM 581 OG SER A 39 6.317 -5.863 7.295 1.00 0.00 O ATOM 0 H SER A 39 5.517 -5.269 4.686 1.00 0.00 H new ATOM 0 HA SER A 39 5.571 -3.298 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.674 -5.263 5.867 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.720 -4.357 7.367 1.00 0.00 H new ATOM 0 HG SER A 39 6.938 -6.521 7.672 1.00 0.00 H new ATOM 587 N GLU A 40 7.792 -2.031 5.992 1.00 0.00 N ATOM 588 CA GLU A 40 8.603 -0.961 5.400 1.00 0.00 C ATOM 589 C GLU A 40 9.209 -1.379 4.061 1.00 0.00 C ATOM 590 O GLU A 40 9.044 -0.690 3.052 1.00 0.00 O ATOM 591 CB GLU A 40 9.730 -0.551 6.352 1.00 0.00 C ATOM 592 CG GLU A 40 10.719 0.426 5.731 1.00 0.00 C ATOM 593 CD GLU A 40 11.922 0.694 6.612 1.00 0.00 C ATOM 594 OE1 GLU A 40 12.642 -0.268 6.945 1.00 0.00 O ATOM 595 OE2 GLU A 40 12.131 1.861 7.005 1.00 0.00 O ATOM 0 H GLU A 40 7.977 -2.190 6.982 1.00 0.00 H new ATOM 0 HA GLU A 40 7.936 -0.116 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.296 -0.100 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.266 -1.444 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.058 0.031 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.210 1.368 5.525 1.00 0.00 H new ATOM 602 N ALA A 41 9.906 -2.509 4.058 1.00 0.00 N ATOM 603 CA ALA A 41 10.579 -2.989 2.858 1.00 0.00 C ATOM 604 C ALA A 41 9.581 -3.244 1.733 1.00 0.00 C ATOM 605 O ALA A 41 9.828 -2.897 0.582 1.00 0.00 O ATOM 606 CB ALA A 41 11.371 -4.253 3.164 1.00 0.00 C ATOM 0 H ALA A 41 10.020 -3.110 4.874 1.00 0.00 H new ATOM 0 HA ALA A 41 11.270 -2.215 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.868 -4.599 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.118 -4.038 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.695 -5.028 3.525 1.00 0.00 H new ATOM 612 N GLN A 42 8.441 -3.810 2.076 1.00 0.00 N ATOM 613 CA GLN A 42 7.448 -4.177 1.081 1.00 0.00 C ATOM 614 C GLN A 42 6.771 -2.932 0.518 1.00 0.00 C ATOM 615 O GLN A 42 6.390 -2.894 -0.649 1.00 0.00 O ATOM 616 CB GLN A 42 6.416 -5.120 1.694 1.00 0.00 C ATOM 617 CG GLN A 42 5.684 -5.975 0.680 1.00 0.00 C ATOM 618 CD GLN A 42 4.720 -6.943 1.334 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.939 -7.384 2.463 1.00 0.00 O ATOM 620 NE2 GLN A 42 3.650 -7.285 0.633 1.00 0.00 N ATOM 0 H GLN A 42 8.177 -4.027 3.037 1.00 0.00 H new ATOM 0 HA GLN A 42 7.947 -4.693 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.915 -5.772 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.687 -4.532 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.137 -5.331 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.409 -6.532 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.506 -6.897 -0.299 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.970 -7.937 1.025 1.00 0.00 H new ATOM 629 N LEU A 43 6.628 -1.909 1.350 1.00 0.00 N ATOM 630 CA LEU A 43 6.099 -0.632 0.891 1.00 0.00 C ATOM 631 C LEU A 43 7.112 0.079 0.010 1.00 0.00 C ATOM 632 O LEU A 43 6.747 0.879 -0.845 1.00 0.00 O ATOM 633 CB LEU A 43 5.713 0.259 2.071 1.00 0.00 C ATOM 634 CG LEU A 43 4.374 -0.083 2.718 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.155 0.750 3.968 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.246 0.140 1.724 1.00 0.00 C ATOM 0 H LEU A 43 6.869 -1.938 2.341 1.00 0.00 H new ATOM 0 HA LEU A 43 5.202 -0.833 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.494 0.194 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.683 1.295 1.732 1.00 0.00 H new ATOM 0 HG LEU A 43 4.384 -1.133 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.195 0.491 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.953 0.550 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.160 1.808 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.294 -0.106 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.237 1.184 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.397 -0.498 0.853 1.00 0.00 H new ATOM 648 N THR A 44 8.381 -0.244 0.205 1.00 0.00 N ATOM 649 CA THR A 44 9.444 0.355 -0.584 1.00 0.00 C ATOM 650 C THR A 44 9.886 -0.607 -1.689 1.00 0.00 C ATOM 651 O THR A 44 10.982 -0.498 -2.244 1.00 0.00 O ATOM 652 CB THR A 44 10.642 0.778 0.303 1.00 0.00 C ATOM 653 OG1 THR A 44 10.988 -0.274 1.218 1.00 0.00 O ATOM 654 CG2 THR A 44 10.313 2.044 1.090 1.00 0.00 C ATOM 0 H THR A 44 8.699 -0.917 0.902 1.00 0.00 H new ATOM 0 HA THR A 44 9.054 1.261 -1.048 1.00 0.00 H new ATOM 0 HB THR A 44 11.489 0.977 -0.354 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.250 -0.417 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.168 2.322 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.086 2.854 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.450 1.861 1.730 1.00 0.00 H new ATOM 662 N ASP A 45 9.012 -1.567 -1.987 1.00 0.00 N ATOM 663 CA ASP A 45 9.209 -2.482 -3.106 1.00 0.00 C ATOM 664 C ASP A 45 8.661 -1.863 -4.384 1.00 0.00 C ATOM 665 O ASP A 45 7.768 -1.022 -4.326 1.00 0.00 O ATOM 666 CB ASP A 45 8.512 -3.820 -2.845 1.00 0.00 C ATOM 667 CG ASP A 45 8.756 -4.823 -3.954 1.00 0.00 C ATOM 668 OD1 ASP A 45 9.856 -5.420 -3.985 1.00 0.00 O ATOM 669 OD2 ASP A 45 7.852 -5.009 -4.798 1.00 0.00 O ATOM 0 H ASP A 45 8.153 -1.731 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 45 10.278 -2.662 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.866 -4.233 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.440 -3.654 -2.738 1.00 0.00 H new ATOM 674 N ALA A 46 9.176 -2.279 -5.530 1.00 0.00 N ATOM 675 CA ALA A 46 8.771 -1.684 -6.796 1.00 0.00 C ATOM 676 C ALA A 46 7.355 -2.101 -7.194 1.00 0.00 C ATOM 677 O ALA A 46 6.466 -1.251 -7.320 1.00 0.00 O ATOM 678 CB ALA A 46 9.762 -2.035 -7.894 1.00 0.00 C ATOM 0 H ALA A 46 9.871 -3.021 -5.611 1.00 0.00 H new ATOM 0 HA ALA A 46 8.766 -0.602 -6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.442 -1.581 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.749 -1.658 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.806 -3.118 -8.011 1.00 0.00 H new ATOM 684 N GLU A 47 7.130 -3.403 -7.367 1.00 0.00 N ATOM 685 CA GLU A 47 5.851 -3.871 -7.888 1.00 0.00 C ATOM 686 C GLU A 47 4.799 -3.870 -6.791 1.00 0.00 C ATOM 687 O GLU A 47 3.637 -3.542 -7.040 1.00 0.00 O ATOM 688 CB GLU A 47 5.973 -5.264 -8.528 1.00 0.00 C ATOM 689 CG GLU A 47 5.870 -6.438 -7.561 1.00 0.00 C ATOM 690 CD GLU A 47 5.898 -7.767 -8.281 1.00 0.00 C ATOM 691 OE1 GLU A 47 4.818 -8.256 -8.674 1.00 0.00 O ATOM 692 OE2 GLU A 47 6.999 -8.319 -8.481 1.00 0.00 O ATOM 0 H GLU A 47 7.804 -4.139 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 47 5.539 -3.181 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.194 -5.368 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.930 -5.325 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.693 -6.394 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.947 -6.356 -6.987 1.00 0.00 H new ATOM 699 N THR A 48 5.213 -4.221 -5.579 1.00 0.00 N ATOM 700 CA THR A 48 4.306 -4.259 -4.452 1.00 0.00 C ATOM 701 C THR A 48 3.600 -2.919 -4.249 1.00 0.00 C ATOM 702 O THR A 48 2.377 -2.847 -4.324 1.00 0.00 O ATOM 703 CB THR A 48 5.044 -4.655 -3.161 1.00 0.00 C ATOM 704 OG1 THR A 48 5.750 -5.883 -3.372 1.00 0.00 O ATOM 705 CG2 THR A 48 4.060 -4.819 -2.012 1.00 0.00 C ATOM 0 H THR A 48 6.174 -4.483 -5.358 1.00 0.00 H new ATOM 0 HA THR A 48 3.553 -5.014 -4.678 1.00 0.00 H new ATOM 0 HB THR A 48 5.750 -3.866 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.458 -5.744 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.600 -5.099 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.536 -3.878 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.338 -5.597 -2.259 1.00 0.00 H new ATOM 713 N SER A 49 4.372 -1.858 -4.035 1.00 0.00 N ATOM 714 CA SER A 49 3.806 -0.550 -3.713 1.00 0.00 C ATOM 715 C SER A 49 2.903 -0.036 -4.835 1.00 0.00 C ATOM 716 O SER A 49 1.818 0.496 -4.581 1.00 0.00 O ATOM 717 CB SER A 49 4.930 0.447 -3.449 1.00 0.00 C ATOM 718 OG SER A 49 5.755 0.595 -4.590 1.00 0.00 O ATOM 0 H SER A 49 5.391 -1.877 -4.078 1.00 0.00 H new ATOM 0 HA SER A 49 3.194 -0.658 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.507 1.413 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.529 0.109 -2.604 1.00 0.00 H new ATOM 0 HG SER A 49 6.473 -0.071 -4.563 1.00 0.00 H new ATOM 724 N LYS A 50 3.356 -0.214 -6.072 1.00 0.00 N ATOM 725 CA LYS A 50 2.614 0.233 -7.242 1.00 0.00 C ATOM 726 C LYS A 50 1.240 -0.427 -7.293 1.00 0.00 C ATOM 727 O LYS A 50 0.247 0.203 -7.662 1.00 0.00 O ATOM 728 CB LYS A 50 3.403 -0.093 -8.513 1.00 0.00 C ATOM 729 CG LYS A 50 2.778 0.453 -9.786 1.00 0.00 C ATOM 730 CD LYS A 50 3.612 0.105 -11.005 1.00 0.00 C ATOM 731 CE LYS A 50 3.053 0.746 -12.263 1.00 0.00 C ATOM 732 NZ LYS A 50 3.848 0.392 -13.467 1.00 0.00 N ATOM 0 H LYS A 50 4.242 -0.669 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 50 2.473 1.312 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.412 0.308 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.497 -1.175 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.773 0.047 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.678 1.536 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.639 0.437 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.642 -0.977 -11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.020 0.428 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.039 1.829 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.433 0.850 -14.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.828 0.718 -13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.840 -0.640 -13.597 1.00 0.00 H new ATOM 746 N LEU A 51 1.188 -1.692 -6.907 1.00 0.00 N ATOM 747 CA LEU A 51 -0.051 -2.445 -6.947 1.00 0.00 C ATOM 748 C LEU A 51 -0.845 -2.297 -5.655 1.00 0.00 C ATOM 749 O LEU A 51 -2.053 -2.524 -5.644 1.00 0.00 O ATOM 750 CB LEU A 51 0.233 -3.909 -7.262 1.00 0.00 C ATOM 751 CG LEU A 51 0.794 -4.141 -8.664 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.245 -5.575 -8.823 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.250 -3.793 -9.715 1.00 0.00 C ATOM 0 H LEU A 51 1.991 -2.217 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.670 -2.035 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.940 -4.298 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.689 -4.480 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 51 1.658 -3.491 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.642 -5.722 -9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.021 -5.796 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.398 -6.242 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.164 -3.963 -10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.130 -4.421 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.533 -2.745 -9.614 1.00 0.00 H new ATOM 765 N ILE A 52 -0.180 -1.926 -4.563 1.00 0.00 N ATOM 766 CA ILE A 52 -0.900 -1.511 -3.370 1.00 0.00 C ATOM 767 C ILE A 52 -1.709 -0.265 -3.675 1.00 0.00 C ATOM 768 O ILE A 52 -2.889 -0.179 -3.346 1.00 0.00 O ATOM 769 CB ILE A 52 0.025 -1.200 -2.185 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.841 -2.425 -1.797 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.797 -0.710 -1.003 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.757 -2.174 -0.628 1.00 0.00 C ATOM 0 H ILE A 52 0.837 -1.905 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.539 -2.348 -3.087 1.00 0.00 H new ATOM 0 HB ILE A 52 0.720 -0.415 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.164 -3.243 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.433 -2.747 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.135 -0.491 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.337 0.194 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.509 -1.481 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.312 -3.084 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.456 -1.376 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.167 -1.880 0.240 1.00 0.00 H new ATOM 784 N TYR A 53 -1.071 0.705 -4.317 1.00 0.00 N ATOM 785 CA TYR A 53 -1.768 1.911 -4.711 1.00 0.00 C ATOM 786 C TYR A 53 -2.806 1.586 -5.780 1.00 0.00 C ATOM 787 O TYR A 53 -3.891 2.160 -5.800 1.00 0.00 O ATOM 788 CB TYR A 53 -0.808 2.989 -5.216 1.00 0.00 C ATOM 789 CG TYR A 53 -1.540 4.253 -5.576 1.00 0.00 C ATOM 790 CD1 TYR A 53 -2.216 4.973 -4.601 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.603 4.695 -6.888 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.931 6.105 -4.921 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.324 5.825 -7.219 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.987 6.525 -6.228 1.00 0.00 C ATOM 795 OH TYR A 53 -3.719 7.643 -6.545 1.00 0.00 O ATOM 0 H TYR A 53 -0.084 0.677 -4.571 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.267 2.308 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.064 3.204 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.269 2.618 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.181 4.640 -3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.082 4.149 -7.661 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.445 6.659 -4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.370 6.160 -8.245 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.652 7.389 -6.706 1.00 0.00 H new ATOM 805 N ASP A 54 -2.468 0.644 -6.655 1.00 0.00 N ATOM 806 CA ASP A 54 -3.407 0.146 -7.661 1.00 0.00 C ATOM 807 C ASP A 54 -4.637 -0.453 -6.977 1.00 0.00 C ATOM 808 O ASP A 54 -5.753 -0.372 -7.480 1.00 0.00 O ATOM 809 CB ASP A 54 -2.718 -0.901 -8.541 1.00 0.00 C ATOM 810 CG ASP A 54 -3.637 -1.510 -9.576 1.00 0.00 C ATOM 811 OD1 ASP A 54 -3.956 -0.821 -10.568 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.020 -2.687 -9.411 1.00 0.00 O ATOM 0 H ASP A 54 -1.547 0.207 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.731 0.974 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.869 -0.440 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.320 -1.693 -7.907 1.00 0.00 H new ATOM 817 N PHE A 55 -4.403 -1.036 -5.809 1.00 0.00 N ATOM 818 CA PHE A 55 -5.457 -1.581 -4.961 1.00 0.00 C ATOM 819 C PHE A 55 -6.306 -0.463 -4.371 1.00 0.00 C ATOM 820 O PHE A 55 -7.532 -0.537 -4.343 1.00 0.00 O ATOM 821 CB PHE A 55 -4.821 -2.407 -3.840 1.00 0.00 C ATOM 822 CG PHE A 55 -5.724 -2.679 -2.677 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.619 -3.728 -2.723 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.659 -1.900 -1.528 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.436 -4.003 -1.651 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.481 -2.168 -0.455 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.370 -3.225 -0.517 1.00 0.00 C ATOM 0 H PHE A 55 -3.467 -1.145 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.106 -2.217 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.486 -3.358 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.934 -1.885 -3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.679 -4.340 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.959 -1.079 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.129 -4.830 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.431 -1.554 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.013 -3.440 0.324 1.00 0.00 H new ATOM 837 N ILE A 56 -5.633 0.564 -3.887 1.00 0.00 N ATOM 838 CA ILE A 56 -6.295 1.724 -3.322 1.00 0.00 C ATOM 839 C ILE A 56 -7.122 2.431 -4.393 1.00 0.00 C ATOM 840 O ILE A 56 -8.257 2.845 -4.151 1.00 0.00 O ATOM 841 CB ILE A 56 -5.252 2.681 -2.715 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.531 1.971 -1.568 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.903 3.965 -2.228 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.365 2.740 -1.002 1.00 0.00 C ATOM 0 H ILE A 56 -4.614 0.617 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.969 1.400 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.530 2.955 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.246 1.777 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.176 1.002 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.142 4.621 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.389 4.466 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.645 3.730 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.909 2.168 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.627 2.912 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.714 3.698 -0.616 1.00 0.00 H new ATOM 856 N GLU A 57 -6.546 2.534 -5.580 1.00 0.00 N ATOM 857 CA GLU A 57 -7.235 3.070 -6.742 1.00 0.00 C ATOM 858 C GLU A 57 -8.415 2.186 -7.130 1.00 0.00 C ATOM 859 O GLU A 57 -9.477 2.679 -7.505 1.00 0.00 O ATOM 860 CB GLU A 57 -6.265 3.163 -7.912 1.00 0.00 C ATOM 861 CG GLU A 57 -5.410 4.418 -7.898 1.00 0.00 C ATOM 862 CD GLU A 57 -6.235 5.689 -7.908 1.00 0.00 C ATOM 863 OE1 GLU A 57 -6.794 6.028 -8.971 1.00 0.00 O ATOM 864 OE2 GLU A 57 -6.335 6.355 -6.858 1.00 0.00 O ATOM 0 H GLU A 57 -5.585 2.247 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.612 4.062 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.613 2.290 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.829 3.129 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.774 4.410 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.749 4.412 -8.765 1.00 0.00 H new ATOM 871 N ASP A 58 -8.199 0.878 -7.062 1.00 0.00 N ATOM 872 CA ASP A 58 -9.262 -0.114 -7.269 1.00 0.00 C ATOM 873 C ASP A 58 -10.471 0.192 -6.386 1.00 0.00 C ATOM 874 O ASP A 58 -11.617 0.034 -6.807 1.00 0.00 O ATOM 875 CB ASP A 58 -8.729 -1.522 -6.969 1.00 0.00 C ATOM 876 CG ASP A 58 -9.759 -2.616 -7.178 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.013 -2.981 -8.343 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.292 -3.145 -6.178 1.00 0.00 O ATOM 0 H ASP A 58 -7.286 0.470 -6.863 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.581 -0.067 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.867 -1.719 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.378 -1.557 -5.938 1.00 0.00 H new ATOM 883 N GLN A 59 -10.208 0.661 -5.173 1.00 0.00 N ATOM 884 CA GLN A 59 -11.273 1.061 -4.254 1.00 0.00 C ATOM 885 C GLN A 59 -11.915 2.367 -4.712 1.00 0.00 C ATOM 886 O GLN A 59 -13.090 2.628 -4.452 1.00 0.00 O ATOM 887 CB GLN A 59 -10.722 1.248 -2.838 1.00 0.00 C ATOM 888 CG GLN A 59 -9.979 0.042 -2.303 1.00 0.00 C ATOM 889 CD GLN A 59 -10.810 -1.220 -2.349 1.00 0.00 C ATOM 890 OE1 GLN A 59 -10.146 -2.344 -2.541 1.00 0.00 O flip ATOM 891 NE2 GLN A 59 -12.036 -1.182 -2.230 1.00 0.00 N flip ATOM 0 H GLN A 59 -9.266 0.775 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.022 0.270 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.052 2.108 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.548 1.481 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.068 -0.106 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.674 0.235 -1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.507 -0.289 -2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.580 -2.043 -2.279 1.00 0.00 H new ATOM 900 N GLY A 60 -11.137 3.175 -5.411 1.00 0.00 N ATOM 901 CA GLY A 60 -11.595 4.480 -5.834 1.00 0.00 C ATOM 902 C GLY A 60 -10.729 5.586 -5.268 1.00 0.00 C ATOM 903 O GLY A 60 -10.908 6.758 -5.599 1.00 0.00 O ATOM 0 H GLY A 60 -10.185 2.947 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.588 4.533 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.627 4.625 -5.514 1.00 0.00 H new ATOM 907 N GLY A 61 -9.789 5.209 -4.415 1.00 0.00 N ATOM 908 CA GLY A 61 -8.883 6.176 -3.838 1.00 0.00 C ATOM 909 C GLY A 61 -8.760 6.024 -2.336 1.00 0.00 C ATOM 910 O GLY A 61 -9.341 5.109 -1.749 1.00 0.00 O ATOM 0 H GLY A 61 -9.638 4.247 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.899 6.066 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.232 7.182 -4.072 1.00 0.00 H new ATOM 914 N LEU A 62 -8.012 6.935 -1.720 1.00 0.00 N ATOM 915 CA LEU A 62 -7.708 6.870 -0.289 1.00 0.00 C ATOM 916 C LEU A 62 -8.975 6.911 0.560 1.00 0.00 C ATOM 917 O LEU A 62 -9.134 6.119 1.491 1.00 0.00 O ATOM 918 CB LEU A 62 -6.786 8.026 0.106 1.00 0.00 C ATOM 919 CG LEU A 62 -5.456 8.086 -0.651 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.631 9.271 -0.181 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.676 6.795 -0.469 1.00 0.00 C ATOM 0 H LEU A 62 -7.599 7.738 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.207 5.920 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.318 8.964 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.576 7.954 1.173 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.672 8.211 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.689 9.299 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.183 10.193 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.428 9.173 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.735 6.859 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.471 6.640 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.262 5.959 -0.852 1.00 0.00 H new ATOM 933 N GLU A 63 -9.871 7.832 0.229 1.00 0.00 N ATOM 934 CA GLU A 63 -11.114 8.013 0.975 1.00 0.00 C ATOM 935 C GLU A 63 -11.968 6.749 0.960 1.00 0.00 C ATOM 936 O GLU A 63 -12.673 6.457 1.924 1.00 0.00 O ATOM 937 CB GLU A 63 -11.906 9.191 0.404 1.00 0.00 C ATOM 938 CG GLU A 63 -11.411 10.555 0.868 1.00 0.00 C ATOM 939 CD GLU A 63 -9.903 10.686 0.828 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.344 10.838 -0.279 1.00 0.00 O ATOM 941 OE2 GLU A 63 -9.273 10.613 1.905 1.00 0.00 O ATOM 0 H GLU A 63 -9.760 8.471 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.851 8.225 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.862 9.151 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.953 9.081 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.853 11.328 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.758 10.734 1.886 1.00 0.00 H new ATOM 948 N ALA A 64 -11.886 5.994 -0.126 1.00 0.00 N ATOM 949 CA ALA A 64 -12.652 4.762 -0.250 1.00 0.00 C ATOM 950 C ALA A 64 -12.125 3.707 0.716 1.00 0.00 C ATOM 951 O ALA A 64 -12.895 2.989 1.348 1.00 0.00 O ATOM 952 CB ALA A 64 -12.608 4.248 -1.678 1.00 0.00 C ATOM 0 H ALA A 64 -11.299 6.212 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.690 4.975 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.186 3.327 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.032 4.996 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.574 4.051 -1.962 1.00 0.00 H new ATOM 958 N VAL A 65 -10.803 3.639 0.837 1.00 0.00 N ATOM 959 CA VAL A 65 -10.157 2.719 1.769 1.00 0.00 C ATOM 960 C VAL A 65 -10.547 3.057 3.203 1.00 0.00 C ATOM 961 O VAL A 65 -10.755 2.173 4.039 1.00 0.00 O ATOM 962 CB VAL A 65 -8.622 2.771 1.620 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.937 1.914 2.677 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.212 2.322 0.227 1.00 0.00 C ATOM 0 H VAL A 65 -10.154 4.213 0.298 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.495 1.710 1.534 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.303 3.803 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.856 1.970 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.202 2.279 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.261 0.879 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.127 2.364 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.551 1.300 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.664 2.980 -0.515 1.00 0.00 H new ATOM 974 N ARG A 66 -10.662 4.349 3.469 1.00 0.00 N ATOM 975 CA ARG A 66 -11.079 4.833 4.775 1.00 0.00 C ATOM 976 C ARG A 66 -12.499 4.382 5.094 1.00 0.00 C ATOM 977 O ARG A 66 -12.852 4.191 6.255 1.00 0.00 O ATOM 978 CB ARG A 66 -10.962 6.357 4.830 1.00 0.00 C ATOM 979 CG ARG A 66 -9.522 6.827 4.901 1.00 0.00 C ATOM 980 CD ARG A 66 -9.399 8.341 4.888 1.00 0.00 C ATOM 981 NE ARG A 66 -8.119 8.748 5.452 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.143 9.355 4.783 1.00 0.00 C ATOM 983 NH1 ARG A 66 -7.321 9.791 3.540 1.00 0.00 N ATOM 984 NH2 ARG A 66 -5.988 9.551 5.393 1.00 0.00 N ATOM 0 H ARG A 66 -10.470 5.086 2.791 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.420 4.407 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.438 6.787 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.505 6.729 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.061 6.437 5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.967 6.414 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.489 8.711 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.214 8.784 5.460 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.958 8.552 6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.222 9.663 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.557 10.254 3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.860 9.239 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.224 10.014 4.901 1.00 0.00 H new ATOM 998 N GLN A 67 -13.301 4.187 4.058 1.00 0.00 N ATOM 999 CA GLN A 67 -14.654 3.691 4.234 1.00 0.00 C ATOM 1000 C GLN A 67 -14.648 2.182 4.429 1.00 0.00 C ATOM 1001 O GLN A 67 -15.426 1.667 5.216 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.536 4.066 3.048 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.750 5.562 2.897 1.00 0.00 C ATOM 1004 CD GLN A 67 -16.696 5.907 1.764 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.768 5.200 0.759 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -17.440 6.989 1.923 1.00 0.00 N ATOM 0 H GLN A 67 -13.037 4.365 3.089 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.068 4.159 5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.086 3.678 2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.505 3.578 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.145 5.964 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.789 6.046 2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.351 7.549 2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.103 7.263 1.198 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.770 1.481 3.709 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.598 0.036 3.873 1.00 0.00 C ATOM 1017 C GLU A 68 -13.286 -0.330 5.311 1.00 0.00 C ATOM 1018 O GLU A 68 -13.770 -1.338 5.824 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.468 -0.441 2.989 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.782 -0.302 1.528 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.403 -1.551 0.950 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -12.657 -2.516 0.688 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.632 -1.574 0.752 1.00 0.00 O ATOM 0 H GLU A 68 -13.163 1.895 3.001 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.534 -0.446 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.567 0.127 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.252 -1.486 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.461 0.538 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.867 -0.069 0.983 1.00 0.00 H new ATOM 1030 N MET A 69 -12.471 0.497 5.950 1.00 0.00 N ATOM 1031 CA MET A 69 -12.167 0.341 7.375 1.00 0.00 C ATOM 1032 C MET A 69 -13.446 0.254 8.211 1.00 0.00 C ATOM 1033 O MET A 69 -13.451 -0.315 9.304 1.00 0.00 O ATOM 1034 CB MET A 69 -11.304 1.500 7.867 1.00 0.00 C ATOM 1035 CG MET A 69 -9.864 1.389 7.419 1.00 0.00 C ATOM 1036 SD MET A 69 -8.796 2.605 8.202 1.00 0.00 S ATOM 1037 CE MET A 69 -7.206 1.886 7.823 1.00 0.00 C ATOM 0 H MET A 69 -12.004 1.288 5.506 1.00 0.00 H new ATOM 0 HA MET A 69 -11.616 -0.592 7.495 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.722 2.438 7.503 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.339 1.537 8.956 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.494 0.389 7.644 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.814 1.511 6.337 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.534 2.662 7.456 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.785 1.438 8.723 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.327 1.119 7.058 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.529 0.811 7.683 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.822 0.773 8.349 1.00 0.00 C ATOM 1049 C ARG A 70 -16.828 -0.021 7.524 1.00 0.00 C ATOM 1050 O ARG A 70 -17.999 -0.139 7.891 1.00 0.00 O ATOM 1051 CB ARG A 70 -16.353 2.186 8.551 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.432 3.088 9.345 1.00 0.00 C ATOM 1053 CD ARG A 70 -16.089 4.428 9.603 1.00 0.00 C ATOM 1054 NE ARG A 70 -17.357 4.274 10.316 1.00 0.00 N ATOM 1055 CZ ARG A 70 -17.882 5.195 11.120 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -17.285 6.374 11.262 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -19.018 4.941 11.764 1.00 0.00 N ATOM 0 H ARG A 70 -14.535 1.298 6.787 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.688 0.289 9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.533 2.637 7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -17.316 2.131 9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.178 2.613 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.499 3.233 8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.417 5.058 10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.263 4.938 8.655 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.873 3.403 10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.423 6.574 10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.689 7.079 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -19.484 4.042 11.641 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -19.423 5.645 12.381 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.374 -3.931 3.599 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.259 -3.729 2.663 1.00 0.00 C ATOM 1205 C VAL B 79 -8.068 -4.669 2.896 1.00 0.00 C ATOM 1206 O VAL B 79 -7.495 -5.185 1.942 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.719 -2.286 2.743 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.133 -1.453 1.546 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.155 -1.600 4.028 1.00 0.00 C ATOM 0 HA VAL B 79 -9.687 -3.945 1.684 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.632 -2.364 2.739 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.730 -0.445 1.647 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.747 -1.909 0.634 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.221 -1.405 1.495 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.757 -0.585 4.052 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -10.244 -1.564 4.070 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.777 -2.158 4.885 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.705 -4.891 4.154 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.476 -5.615 4.492 1.00 0.00 C ATOM 1221 C ALA B 80 -6.371 -6.985 3.818 1.00 0.00 C ATOM 1222 O ALA B 80 -5.364 -7.285 3.174 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.358 -5.757 5.989 1.00 0.00 C ATOM 0 H ALA B 80 -8.244 -4.580 4.963 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.647 -5.021 4.107 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.442 -6.296 6.232 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.330 -4.768 6.447 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.217 -6.309 6.371 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.400 -7.817 3.946 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.356 -9.151 3.348 1.00 0.00 C ATOM 1231 C GLN B 81 -7.425 -9.035 1.836 1.00 0.00 C ATOM 1232 O GLN B 81 -6.910 -9.875 1.098 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.520 -10.022 3.831 1.00 0.00 C ATOM 1234 CG GLN B 81 -9.854 -9.645 3.198 1.00 0.00 C ATOM 1235 CD GLN B 81 -10.895 -10.735 3.315 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -10.566 -11.918 3.380 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -12.159 -10.345 3.315 1.00 0.00 N ATOM 0 H GLN B 81 -8.261 -7.599 4.448 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.421 -9.621 3.652 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.301 -11.066 3.608 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -8.603 -9.938 4.915 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.231 -8.739 3.672 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -9.697 -9.412 2.145 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -12.386 -9.352 3.260 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -12.906 -11.037 3.370 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.061 -7.970 1.395 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.284 -7.735 -0.014 1.00 0.00 C ATOM 1248 C ARG B 82 -6.996 -7.240 -0.664 1.00 0.00 C ATOM 1249 O ARG B 82 -6.824 -7.318 -1.881 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.427 -6.733 -0.172 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.805 -6.441 -1.607 1.00 0.00 C ATOM 1252 CD ARG B 82 -11.023 -5.535 -1.668 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.256 -4.987 -3.004 1.00 0.00 N ATOM 1254 CZ ARG B 82 -12.396 -4.402 -3.371 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -13.416 -4.341 -2.517 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -12.506 -3.850 -4.578 1.00 0.00 N ATOM 0 H ARG B 82 -8.437 -7.244 2.004 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.567 -8.659 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.304 -7.114 0.352 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.146 -5.799 0.315 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -8.968 -5.968 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -10.013 -7.374 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -11.903 -6.095 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -10.896 -4.715 -0.961 1.00 0.00 H new ATOM 0 HE ARG B 82 -10.506 -5.056 -3.692 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -13.324 -4.742 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -14.289 -3.894 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -11.717 -3.874 -5.224 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -13.379 -3.403 -4.857 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.070 -6.784 0.170 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.798 -6.275 -0.307 1.00 0.00 C ATOM 1272 C LEU B 83 -3.881 -7.437 -0.616 1.00 0.00 C ATOM 1273 O LEU B 83 -3.218 -7.463 -1.653 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.150 -5.367 0.741 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.696 -4.005 0.225 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.119 -3.159 1.343 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.691 -4.154 -0.911 1.00 0.00 C ATOM 0 H LEU B 83 -6.180 -6.758 1.184 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.969 -5.688 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.860 -5.212 1.554 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.288 -5.884 1.164 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.575 -3.493 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.804 -2.195 0.944 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.877 -3.004 2.111 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.260 -3.669 1.779 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.386 -3.167 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.817 -4.700 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.150 -4.702 -1.734 1.00 0.00 H new ATOM 1289 N MET B 84 -3.878 -8.411 0.283 1.00 0.00 N ATOM 1290 CA MET B 84 -3.052 -9.596 0.127 1.00 0.00 C ATOM 1291 C MET B 84 -3.419 -10.321 -1.159 1.00 0.00 C ATOM 1292 O MET B 84 -2.547 -10.761 -1.903 1.00 0.00 O ATOM 1293 CB MET B 84 -3.236 -10.519 1.325 1.00 0.00 C ATOM 1294 CG MET B 84 -2.969 -9.835 2.653 1.00 0.00 C ATOM 1295 SD MET B 84 -3.486 -10.830 4.061 1.00 0.00 S ATOM 1296 CE MET B 84 -3.101 -9.721 5.409 1.00 0.00 C ATOM 0 H MET B 84 -4.443 -8.402 1.132 1.00 0.00 H new ATOM 0 HA MET B 84 -2.006 -9.296 0.073 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.254 -10.908 1.322 1.00 0.00 H new ATOM 0 HB3 MET B 84 -2.567 -11.374 1.223 1.00 0.00 H new ATOM 0 HG2 MET B 84 -1.904 -9.618 2.738 1.00 0.00 H new ATOM 0 HG3 MET B 84 -3.492 -8.879 2.677 1.00 0.00 H new ATOM 0 HE1 MET B 84 -3.315 -10.213 6.358 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.045 -9.453 5.369 1.00 0.00 H new ATOM 0 HE3 MET B 84 -3.708 -8.820 5.323 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.718 -10.416 -1.425 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.210 -11.034 -2.653 1.00 0.00 C ATOM 1308 C GLN B 85 -4.743 -10.258 -3.876 1.00 0.00 C ATOM 1309 O GLN B 85 -4.157 -10.824 -4.795 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.740 -11.093 -2.649 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.315 -12.034 -1.610 1.00 0.00 C ATOM 1312 CD GLN B 85 -6.823 -13.454 -1.784 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -5.819 -13.852 -1.196 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -7.516 -14.222 -2.607 1.00 0.00 N ATOM 0 H GLN B 85 -5.451 -10.072 -0.805 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.808 -12.046 -2.698 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.132 -10.091 -2.474 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.085 -11.403 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.048 -11.679 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.403 -12.019 -1.672 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.343 -13.852 -3.075 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -7.223 -15.185 -2.774 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.988 -8.953 -3.857 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.696 -8.086 -4.992 1.00 0.00 C ATOM 1325 C HIS B 86 -3.210 -8.124 -5.352 1.00 0.00 C ATOM 1326 O HIS B 86 -2.841 -7.995 -6.519 1.00 0.00 O ATOM 1327 CB HIS B 86 -5.134 -6.659 -4.658 1.00 0.00 C ATOM 1328 CG HIS B 86 -5.105 -5.715 -5.820 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -6.113 -5.644 -6.759 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.189 -4.786 -6.179 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.814 -4.718 -7.651 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.654 -4.182 -7.323 1.00 0.00 N ATOM 0 H HIS B 86 -5.393 -8.467 -3.057 1.00 0.00 H new ATOM 0 HA HIS B 86 -5.249 -8.443 -5.861 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -6.146 -6.688 -4.254 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.488 -6.268 -3.872 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.267 -4.561 -5.664 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.417 -4.445 -8.505 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.179 -3.439 -7.836 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.365 -8.303 -4.350 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.930 -8.390 -4.573 1.00 0.00 C ATOM 1343 C LEU B 87 -0.540 -9.787 -5.044 1.00 0.00 C ATOM 1344 O LEU B 87 0.195 -9.945 -6.027 1.00 0.00 O ATOM 1345 CB LEU B 87 -0.186 -8.039 -3.288 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.439 -6.626 -2.768 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.221 -6.444 -1.415 1.00 0.00 C ATOM 1348 CD2 LEU B 87 0.064 -5.585 -3.762 1.00 0.00 C ATOM 0 H LEU B 87 -2.647 -8.391 -3.374 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.654 -7.679 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.470 -8.752 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU B 87 0.883 -8.162 -3.459 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.514 -6.484 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.035 -5.433 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -0.192 -7.164 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.295 -6.603 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.127 -4.586 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU B 87 1.135 -5.716 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.456 -5.708 -4.712 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.052 -10.791 -4.347 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.757 -12.190 -4.661 1.00 0.00 C ATOM 1362 C ALA B 88 -1.130 -12.548 -6.099 1.00 0.00 C ATOM 1363 O ALA B 88 -0.478 -13.387 -6.719 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.471 -13.118 -3.686 1.00 0.00 C ATOM 0 H ALA B 88 -1.680 -10.665 -3.553 1.00 0.00 H new ATOM 0 HA ALA B 88 0.320 -12.322 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.240 -14.154 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.137 -12.905 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.547 -12.959 -3.755 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.171 -11.908 -6.626 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.609 -12.151 -8.001 1.00 0.00 C ATOM 1372 C GLU B 89 -1.513 -11.822 -9.016 1.00 0.00 C ATOM 1373 O GLU B 89 -1.482 -12.385 -10.107 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.853 -11.331 -8.338 1.00 0.00 C ATOM 1375 CG GLU B 89 -5.081 -11.692 -7.520 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.535 -13.118 -7.743 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -6.284 -13.366 -8.710 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.136 -14.004 -6.954 1.00 0.00 O ATOM 0 H GLU B 89 -2.728 -11.217 -6.123 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.842 -13.214 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.629 -10.275 -8.188 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.084 -11.461 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.863 -11.546 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.894 -11.012 -7.775 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.617 -10.909 -8.662 1.00 0.00 N ATOM 1386 CA HIS B 90 0.414 -10.475 -9.596 1.00 0.00 C ATOM 1387 C HIS B 90 1.759 -11.119 -9.284 1.00 0.00 C ATOM 1388 O HIS B 90 2.541 -11.408 -10.192 1.00 0.00 O ATOM 1389 CB HIS B 90 0.543 -8.952 -9.601 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.667 -8.252 -10.141 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.777 -7.795 -9.516 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.833 -7.952 -11.477 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.588 -7.240 -10.473 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -1.994 -7.346 -11.647 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.583 -10.460 -7.747 1.00 0.00 H new ATOM 0 HA HIS B 90 0.108 -10.801 -10.590 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.729 -8.608 -8.584 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.412 -8.671 -10.196 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.974 -7.853 -8.517 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.125 -8.177 -12.261 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.554 -6.790 -10.295 1.00 0.00 H new ATOM 1403 N GLY B 91 2.023 -11.354 -8.008 1.00 0.00 N ATOM 1404 CA GLY B 91 3.266 -11.996 -7.623 1.00 0.00 C ATOM 1405 C GLY B 91 4.138 -11.117 -6.750 1.00 0.00 C ATOM 1406 O GLY B 91 5.358 -11.277 -6.729 1.00 0.00 O ATOM 0 H GLY B 91 1.403 -11.114 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.042 -12.920 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY B 91 3.820 -12.272 -8.520 1.00 0.00 H new ATOM 1410 N ILE B 92 3.506 -10.186 -6.041 1.00 0.00 N ATOM 1411 CA ILE B 92 4.193 -9.307 -5.104 1.00 0.00 C ATOM 1412 C ILE B 92 5.095 -10.089 -4.157 1.00 0.00 C ATOM 1413 O ILE B 92 4.752 -11.187 -3.709 1.00 0.00 O ATOM 1414 CB ILE B 92 3.166 -8.486 -4.292 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.822 -7.211 -5.048 1.00 0.00 C ATOM 1416 CG2 ILE B 92 3.661 -8.166 -2.885 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.026 -7.446 -6.305 1.00 0.00 C ATOM 0 H ILE B 92 2.501 -10.021 -6.101 1.00 0.00 H new ATOM 0 HA ILE B 92 4.821 -8.632 -5.685 1.00 0.00 H new ATOM 0 HB ILE B 92 2.269 -9.093 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.258 -6.550 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.745 -6.692 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE B 92 2.904 -7.588 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE B 92 3.851 -9.094 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.582 -7.587 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.819 -6.491 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.596 -8.080 -6.984 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.086 -7.937 -6.054 1.00 0.00 H new ATOM 1429 N GLN B 93 6.253 -9.522 -3.870 1.00 0.00 N ATOM 1430 CA GLN B 93 7.190 -10.147 -2.964 1.00 0.00 C ATOM 1431 C GLN B 93 7.137 -9.460 -1.607 1.00 0.00 C ATOM 1432 O GLN B 93 7.317 -8.247 -1.510 1.00 0.00 O ATOM 1433 CB GLN B 93 8.604 -10.090 -3.539 1.00 0.00 C ATOM 1434 CG GLN B 93 8.781 -10.884 -4.825 1.00 0.00 C ATOM 1435 CD GLN B 93 8.417 -12.347 -4.656 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.255 -13.168 -4.281 1.00 0.00 O ATOM 1437 NE2 GLN B 93 7.174 -12.687 -4.946 1.00 0.00 N ATOM 0 H GLN B 93 6.564 -8.629 -4.253 1.00 0.00 H new ATOM 0 HA GLN B 93 6.914 -11.194 -2.837 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.867 -9.049 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.304 -10.466 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN B 93 8.161 -10.446 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.816 -10.806 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN B 93 6.510 -11.977 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN B 93 6.879 -13.660 -4.862 1.00 0.00 H new