USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 670 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 57 TYR OH : rot 130:sc= 0.928 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.783 K(o=1.7,f=-3.1!) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0.0326 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 16 THR OG1 : rot -34:sc= 0.761 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.059) USER MOD Single : A 28 ASN : amide:sc= -2.21 K(o=-2.2,f=-4.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.13! C(o=-3.1!,f=-5.3!) USER MOD Single : A 40 GLN : amide:sc= -0.0373 K(o=-0.037,f=-0.78) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -27:sc= -1.16 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 167:sc= -1.17 USER MOD Single : A 71 ASN : amide:sc=-0.00417 K(o=-0.0042,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 62:sc= 0.0585 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -116:sc= -0.71! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 101:sc= -1.26 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 178:sc= -1.79 USER MOD Single : A 101 SER OG : rot 90:sc= -0.964 USER MOD Single : A 103 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.216 -24.704 -1.014 1.00 0.00 N ATOM 199 CA THR A 16 -5.309 -23.879 -1.792 1.00 0.00 C ATOM 200 C THR A 16 -5.716 -22.407 -1.701 1.00 0.00 C ATOM 201 O THR A 16 -6.864 -22.095 -1.390 1.00 0.00 O ATOM 202 CB THR A 16 -5.291 -24.417 -3.225 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.657 -24.716 -3.500 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.584 -25.769 -3.333 1.00 0.00 C ATOM 0 HA THR A 16 -4.294 -23.928 -1.398 1.00 0.00 H new ATOM 0 HB THR A 16 -4.798 -23.697 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.096 -25.026 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.599 -26.106 -4.370 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.551 -25.667 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.097 -26.499 -2.707 1.00 0.00 H new ATOM 212 N PRO A 17 -4.727 -21.518 -1.986 1.00 0.00 N ATOM 213 CA PRO A 17 -4.971 -20.086 -1.939 1.00 0.00 C ATOM 214 C PRO A 17 -5.780 -19.628 -3.154 1.00 0.00 C ATOM 215 O PRO A 17 -5.699 -20.233 -4.222 1.00 0.00 O ATOM 216 CB PRO A 17 -3.590 -19.454 -1.872 1.00 0.00 C ATOM 217 CG PRO A 17 -2.619 -20.521 -2.350 1.00 0.00 C ATOM 218 CD PRO A 17 -3.355 -21.851 -2.358 1.00 0.00 C ATOM 0 HA PRO A 17 -5.572 -19.789 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.536 -18.566 -2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.354 -19.138 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.251 -20.283 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.751 -20.569 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.314 -22.320 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.912 -22.553 -1.651 1.00 0.00 H new ATOM 226 N PRO A 18 -6.561 -18.535 -2.946 1.00 0.00 N ATOM 227 CA PRO A 18 -7.384 -17.988 -4.011 1.00 0.00 C ATOM 228 C PRO A 18 -6.530 -17.227 -5.027 1.00 0.00 C ATOM 229 O PRO A 18 -5.606 -16.507 -4.652 1.00 0.00 O ATOM 230 CB PRO A 18 -8.401 -17.104 -3.309 1.00 0.00 C ATOM 231 CG PRO A 18 -7.826 -16.820 -1.931 1.00 0.00 C ATOM 232 CD PRO A 18 -6.682 -17.793 -1.694 1.00 0.00 C ATOM 0 HA PRO A 18 -7.885 -18.761 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.563 -16.179 -3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.367 -17.604 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.471 -15.791 -1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.593 -16.939 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.758 -17.267 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.895 -18.459 -0.858 1.00 0.00 H new ATOM 240 N SER A 19 -6.871 -17.411 -6.295 1.00 0.00 N ATOM 241 CA SER A 19 -6.147 -16.751 -7.367 1.00 0.00 C ATOM 242 C SER A 19 -6.774 -15.386 -7.659 1.00 0.00 C ATOM 243 O SER A 19 -6.800 -14.943 -8.806 1.00 0.00 O ATOM 244 CB SER A 19 -6.134 -17.610 -8.634 1.00 0.00 C ATOM 245 OG SER A 19 -5.047 -18.531 -8.642 1.00 0.00 O ATOM 0 H SER A 19 -7.639 -18.008 -6.603 1.00 0.00 H new ATOM 0 HA SER A 19 -5.115 -16.609 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.074 -18.157 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.069 -16.964 -9.510 1.00 0.00 H new ATOM 0 HG SER A 19 -5.074 -19.062 -9.465 1.00 0.00 H new ATOM 251 N GLN A 20 -7.263 -14.757 -6.600 1.00 0.00 N ATOM 252 CA GLN A 20 -7.888 -13.452 -6.728 1.00 0.00 C ATOM 253 C GLN A 20 -7.105 -12.408 -5.930 1.00 0.00 C ATOM 254 O GLN A 20 -7.121 -12.421 -4.700 1.00 0.00 O ATOM 255 CB GLN A 20 -9.351 -13.498 -6.282 1.00 0.00 C ATOM 256 CG GLN A 20 -9.779 -12.164 -5.667 1.00 0.00 C ATOM 257 CD GLN A 20 -11.304 -12.056 -5.599 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.993 -12.930 -5.100 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.791 -10.937 -6.129 1.00 0.00 N ATOM 0 H GLN A 20 -7.239 -15.127 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.872 -13.165 -7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.988 -13.730 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.488 -14.298 -5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.359 -12.070 -4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.379 -11.341 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.158 -10.245 -6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.797 -10.771 -6.133 1.00 0.00 H new ATOM 268 N PRO A 21 -6.420 -11.505 -6.682 1.00 0.00 N ATOM 269 CA PRO A 21 -5.632 -10.456 -6.058 1.00 0.00 C ATOM 270 C PRO A 21 -6.532 -9.355 -5.494 1.00 0.00 C ATOM 271 O PRO A 21 -7.673 -9.199 -5.926 1.00 0.00 O ATOM 272 CB PRO A 21 -4.701 -9.959 -7.152 1.00 0.00 C ATOM 273 CG PRO A 21 -5.316 -10.420 -8.463 1.00 0.00 C ATOM 274 CD PRO A 21 -6.378 -11.459 -8.140 1.00 0.00 C ATOM 0 HA PRO A 21 -5.062 -10.813 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.610 -8.873 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.698 -10.367 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.756 -9.577 -8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.552 -10.845 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.346 -11.178 -8.555 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.121 -12.432 -8.560 1.00 0.00 H new ATOM 282 N PRO A 22 -5.971 -8.600 -4.512 1.00 0.00 N ATOM 283 CA PRO A 22 -6.710 -7.518 -3.884 1.00 0.00 C ATOM 284 C PRO A 22 -6.801 -6.305 -4.813 1.00 0.00 C ATOM 285 O PRO A 22 -5.783 -5.799 -5.281 1.00 0.00 O ATOM 286 CB PRO A 22 -5.960 -7.224 -2.595 1.00 0.00 C ATOM 287 CG PRO A 22 -4.576 -7.827 -2.772 1.00 0.00 C ATOM 288 CD PRO A 22 -4.622 -8.755 -3.975 1.00 0.00 C ATOM 0 HA PRO A 22 -7.746 -7.783 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.898 -6.151 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.470 -7.662 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.834 -7.043 -2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.282 -8.376 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.868 -8.483 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.427 -9.788 -3.686 1.00 0.00 H new ATOM 296 N GLY A 23 -8.031 -5.874 -5.052 1.00 0.00 N ATOM 297 CA GLY A 23 -8.269 -4.730 -5.916 1.00 0.00 C ATOM 298 C GLY A 23 -8.399 -3.443 -5.098 1.00 0.00 C ATOM 299 O GLY A 23 -8.169 -3.445 -3.890 1.00 0.00 O ATOM 0 H GLY A 23 -8.874 -6.297 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.450 -4.631 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.178 -4.890 -6.496 1.00 0.00 H new ATOM 303 N ASN A 24 -8.767 -2.375 -5.790 1.00 0.00 N ATOM 304 CA ASN A 24 -8.930 -1.084 -5.144 1.00 0.00 C ATOM 305 C ASN A 24 -7.670 -0.758 -4.340 1.00 0.00 C ATOM 306 O ASN A 24 -7.731 -0.025 -3.354 1.00 0.00 O ATOM 307 CB ASN A 24 -10.117 -1.098 -4.179 1.00 0.00 C ATOM 308 CG ASN A 24 -10.917 0.203 -4.274 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.437 0.568 -5.315 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.985 0.880 -3.131 1.00 0.00 N ATOM 0 H ASN A 24 -8.957 -2.377 -6.792 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.104 -0.338 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.765 -1.945 -4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.759 -1.235 -3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.496 1.762 -3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.526 0.517 -2.295 1.00 0.00 H new ATOM 317 N VAL A 25 -6.558 -1.319 -4.791 1.00 0.00 N ATOM 318 CA VAL A 25 -5.285 -1.097 -4.125 1.00 0.00 C ATOM 319 C VAL A 25 -4.876 0.368 -4.292 1.00 0.00 C ATOM 320 O VAL A 25 -4.240 0.730 -5.282 1.00 0.00 O ATOM 321 CB VAL A 25 -4.237 -2.075 -4.660 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.925 -1.952 -3.883 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.762 -3.512 -4.627 1.00 0.00 C ATOM 0 H VAL A 25 -6.512 -1.927 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.374 -1.290 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.036 -1.816 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.197 -2.658 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.538 -0.938 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.103 -2.173 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.998 -4.187 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.005 -3.787 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.657 -3.587 -5.244 1.00 0.00 H new ATOM 333 N VAL A 26 -5.257 1.172 -3.310 1.00 0.00 N ATOM 334 CA VAL A 26 -4.937 2.589 -3.336 1.00 0.00 C ATOM 335 C VAL A 26 -3.864 2.884 -2.287 1.00 0.00 C ATOM 336 O VAL A 26 -3.610 2.064 -1.406 1.00 0.00 O ATOM 337 CB VAL A 26 -6.210 3.416 -3.140 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.273 3.039 -4.173 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.749 3.262 -1.716 1.00 0.00 C ATOM 0 H VAL A 26 -5.784 0.869 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.528 2.871 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.955 4.465 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.167 3.641 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.888 3.224 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.523 1.983 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.654 3.859 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.980 2.214 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.998 3.603 -1.004 1.00 0.00 H new ATOM 349 N TRP A 27 -3.264 4.058 -2.415 1.00 0.00 N ATOM 350 CA TRP A 27 -2.224 4.473 -1.489 1.00 0.00 C ATOM 351 C TRP A 27 -2.409 5.965 -1.206 1.00 0.00 C ATOM 352 O TRP A 27 -3.305 6.599 -1.762 1.00 0.00 O ATOM 353 CB TRP A 27 -0.836 4.136 -2.037 1.00 0.00 C ATOM 354 CG TRP A 27 -0.574 4.676 -3.444 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.900 4.115 -4.617 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.085 5.915 -3.781 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.501 4.898 -5.680 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.117 6.027 -5.156 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.636 6.907 -2.951 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.690 7.118 -5.823 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.204 7.990 -3.633 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.245 8.118 -5.016 1.00 0.00 C ATOM 0 H TRP A 27 -3.478 4.736 -3.147 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.306 3.928 -0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.082 4.536 -1.359 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.713 3.053 -2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.411 3.169 -4.717 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.635 4.687 -6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.622 6.839 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.703 7.184 -6.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.641 8.782 -3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.703 8.986 -5.467 1.00 0.00 H new ATOM 373 N ASN A 28 -1.548 6.482 -0.343 1.00 0.00 N ATOM 374 CA ASN A 28 -1.605 7.888 0.020 1.00 0.00 C ATOM 375 C ASN A 28 -0.345 8.260 0.804 1.00 0.00 C ATOM 376 O ASN A 28 0.355 7.386 1.313 1.00 0.00 O ATOM 377 CB ASN A 28 -2.817 8.179 0.908 1.00 0.00 C ATOM 378 CG ASN A 28 -4.065 8.444 0.063 1.00 0.00 C ATOM 379 OD1 ASN A 28 -3.996 8.894 -1.068 1.00 0.00 O ATOM 380 ND2 ASN A 28 -5.206 8.141 0.675 1.00 0.00 N ATOM 0 H ASN A 28 -0.807 5.953 0.116 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.682 8.470 -0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.996 7.334 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.611 9.043 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.095 8.282 0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.192 7.767 1.624 1.00 0.00 H new ATOM 387 N ALA A 29 -0.094 9.559 0.877 1.00 0.00 N ATOM 388 CA ALA A 29 1.070 10.057 1.590 1.00 0.00 C ATOM 389 C ALA A 29 0.672 11.286 2.411 1.00 0.00 C ATOM 390 O ALA A 29 0.218 12.286 1.857 1.00 0.00 O ATOM 391 CB ALA A 29 2.189 10.360 0.592 1.00 0.00 C ATOM 0 H ALA A 29 -0.677 10.282 0.454 1.00 0.00 H new ATOM 0 HA ALA A 29 1.447 9.305 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.062 10.734 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.454 9.449 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.849 11.114 -0.118 1.00 0.00 H new ATOM 397 N THR A 30 0.857 11.171 3.717 1.00 0.00 N ATOM 398 CA THR A 30 0.524 12.259 4.620 1.00 0.00 C ATOM 399 C THR A 30 1.588 12.394 5.710 1.00 0.00 C ATOM 400 O THR A 30 2.160 11.397 6.150 1.00 0.00 O ATOM 401 CB THR A 30 -0.881 12.004 5.170 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.844 12.554 6.484 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.160 10.517 5.396 1.00 0.00 C ATOM 0 H THR A 30 1.234 10.340 4.172 1.00 0.00 H new ATOM 0 HA THR A 30 0.516 13.216 4.099 1.00 0.00 H new ATOM 0 HB THR A 30 -1.620 12.411 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.716 12.433 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.170 10.392 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.067 9.982 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.442 10.117 6.112 1.00 0.00 H new ATOM 411 N ASP A 31 1.822 13.633 6.115 1.00 0.00 N ATOM 412 CA ASP A 31 2.808 13.911 7.146 1.00 0.00 C ATOM 413 C ASP A 31 4.139 13.264 6.760 1.00 0.00 C ATOM 414 O ASP A 31 4.967 13.887 6.096 1.00 0.00 O ATOM 415 CB ASP A 31 2.374 13.330 8.494 1.00 0.00 C ATOM 416 CG ASP A 31 1.393 14.197 9.285 1.00 0.00 C ATOM 417 OD1 ASP A 31 0.924 15.199 8.704 1.00 0.00 O ATOM 418 OD2 ASP A 31 1.135 13.839 10.455 1.00 0.00 O ATOM 0 H ASP A 31 1.346 14.457 5.748 1.00 0.00 H new ATOM 0 HA ASP A 31 2.908 14.993 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.918 12.355 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.262 13.163 9.104 1.00 0.00 H new ATOM 423 N THR A 32 4.305 12.022 7.191 1.00 0.00 N ATOM 424 CA THR A 32 5.522 11.284 6.898 1.00 0.00 C ATOM 425 C THR A 32 5.256 9.778 6.943 1.00 0.00 C ATOM 426 O THR A 32 6.043 9.022 7.511 1.00 0.00 O ATOM 427 CB THR A 32 6.600 11.740 7.883 1.00 0.00 C ATOM 428 OG1 THR A 32 5.989 11.590 9.162 1.00 0.00 O ATOM 429 CG2 THR A 32 6.888 13.240 7.783 1.00 0.00 C ATOM 0 H THR A 32 3.617 11.508 7.741 1.00 0.00 H new ATOM 0 HA THR A 32 5.876 11.490 5.888 1.00 0.00 H new ATOM 0 HB THR A 32 7.517 11.180 7.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.620 11.862 9.860 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.660 13.511 8.503 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.231 13.478 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.978 13.800 7.998 1.00 0.00 H new ATOM 437 N LYS A 33 4.145 9.387 6.337 1.00 0.00 N ATOM 438 CA LYS A 33 3.765 7.985 6.300 1.00 0.00 C ATOM 439 C LYS A 33 3.060 7.687 4.976 1.00 0.00 C ATOM 440 O LYS A 33 2.849 8.586 4.164 1.00 0.00 O ATOM 441 CB LYS A 33 2.936 7.622 7.534 1.00 0.00 C ATOM 442 CG LYS A 33 3.558 6.442 8.284 1.00 0.00 C ATOM 443 CD LYS A 33 2.625 5.943 9.389 1.00 0.00 C ATOM 444 CE LYS A 33 2.774 6.788 10.656 1.00 0.00 C ATOM 445 NZ LYS A 33 3.428 6.005 11.728 1.00 0.00 N ATOM 0 H LYS A 33 3.495 10.017 5.867 1.00 0.00 H new ATOM 0 HA LYS A 33 4.649 7.349 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.868 8.484 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.919 7.371 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.767 5.632 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.512 6.743 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.592 5.980 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.848 4.900 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.362 7.680 10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.794 7.127 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.521 6.594 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.852 5.167 11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.371 5.703 11.411 1.00 0.00 H new ATOM 459 N VAL A 34 2.715 6.420 4.799 1.00 0.00 N ATOM 460 CA VAL A 34 2.038 5.991 3.587 1.00 0.00 C ATOM 461 C VAL A 34 0.829 5.131 3.960 1.00 0.00 C ATOM 462 O VAL A 34 0.980 3.965 4.322 1.00 0.00 O ATOM 463 CB VAL A 34 3.023 5.270 2.664 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.288 4.563 1.523 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.075 6.239 2.121 1.00 0.00 C ATOM 0 H VAL A 34 2.892 5.677 5.475 1.00 0.00 H new ATOM 0 HA VAL A 34 1.665 6.852 3.033 1.00 0.00 H new ATOM 0 HB VAL A 34 3.539 4.511 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.011 4.059 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.595 3.830 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.734 5.297 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.762 5.701 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.583 7.031 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.630 6.676 2.951 1.00 0.00 H new ATOM 475 N LEU A 35 -0.344 5.740 3.859 1.00 0.00 N ATOM 476 CA LEU A 35 -1.578 5.044 4.182 1.00 0.00 C ATOM 477 C LEU A 35 -2.019 4.210 2.977 1.00 0.00 C ATOM 478 O LEU A 35 -2.391 4.759 1.941 1.00 0.00 O ATOM 479 CB LEU A 35 -2.640 6.033 4.667 1.00 0.00 C ATOM 480 CG LEU A 35 -2.254 6.894 5.871 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.448 7.716 6.362 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.651 6.038 6.986 1.00 0.00 C ATOM 0 H LEU A 35 -0.466 6.707 3.558 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.419 4.351 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.897 6.695 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.541 5.474 4.919 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.485 7.599 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.147 8.319 7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.794 8.370 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.255 7.045 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.385 6.674 7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.380 5.294 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.758 5.535 6.616 1.00 0.00 H new ATOM 494 N LEU A 36 -1.961 2.898 3.152 1.00 0.00 N ATOM 495 CA LEU A 36 -2.350 1.984 2.092 1.00 0.00 C ATOM 496 C LEU A 36 -3.794 1.532 2.318 1.00 0.00 C ATOM 497 O LEU A 36 -4.287 1.556 3.445 1.00 0.00 O ATOM 498 CB LEU A 36 -1.353 0.828 1.990 1.00 0.00 C ATOM 499 CG LEU A 36 0.063 1.201 1.546 1.00 0.00 C ATOM 500 CD1 LEU A 36 0.881 -0.049 1.217 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.029 2.187 0.377 1.00 0.00 C ATOM 0 H LEU A 36 -1.650 2.446 4.012 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.321 2.487 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.291 0.341 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.750 0.093 1.290 1.00 0.00 H new ATOM 0 HG LEU A 36 0.560 1.703 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.883 0.244 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.948 -0.683 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.396 -0.600 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.048 2.436 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.493 1.734 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.492 3.095 0.682 1.00 0.00 H new ATOM 513 N ASN A 37 -4.432 1.132 1.228 1.00 0.00 N ATOM 514 CA ASN A 37 -5.810 0.675 1.293 1.00 0.00 C ATOM 515 C ASN A 37 -6.134 -0.136 0.037 1.00 0.00 C ATOM 516 O ASN A 37 -5.990 0.359 -1.080 1.00 0.00 O ATOM 517 CB ASN A 37 -6.780 1.857 1.356 1.00 0.00 C ATOM 518 CG ASN A 37 -6.113 3.080 1.989 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.200 3.675 1.441 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.618 3.420 3.171 1.00 0.00 N ATOM 0 H ASN A 37 -4.020 1.115 0.295 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.922 0.068 2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.123 2.105 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.661 1.579 1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.241 4.222 3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.383 2.879 3.574 1.00 0.00 H new ATOM 527 N TRP A 38 -6.566 -1.368 0.261 1.00 0.00 N ATOM 528 CA TRP A 38 -6.911 -2.252 -0.839 1.00 0.00 C ATOM 529 C TRP A 38 -8.125 -3.082 -0.415 1.00 0.00 C ATOM 530 O TRP A 38 -8.296 -3.381 0.766 1.00 0.00 O ATOM 531 CB TRP A 38 -5.714 -3.112 -1.248 1.00 0.00 C ATOM 532 CG TRP A 38 -5.220 -4.055 -0.149 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.644 -5.297 0.124 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.185 -3.781 0.818 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.961 -5.841 1.193 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.045 -4.890 1.628 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.392 -2.635 1.003 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.122 -4.961 2.678 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.474 -2.721 2.056 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.322 -3.830 2.881 1.00 0.00 C ATOM 0 H TRP A 38 -6.685 -1.775 1.189 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.174 -1.677 -1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.986 -3.702 -2.123 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.895 -2.458 -1.546 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.422 -5.808 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.102 -6.770 1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.484 -1.757 0.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.032 -5.841 3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.840 -1.867 2.241 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.590 -3.819 3.675 1.00 0.00 H new ATOM 551 N GLU A 39 -8.937 -3.430 -1.403 1.00 0.00 N ATOM 552 CA GLU A 39 -10.130 -4.219 -1.147 1.00 0.00 C ATOM 553 C GLU A 39 -9.759 -5.539 -0.470 1.00 0.00 C ATOM 554 O GLU A 39 -8.593 -5.773 -0.155 1.00 0.00 O ATOM 555 CB GLU A 39 -10.912 -4.466 -2.439 1.00 0.00 C ATOM 556 CG GLU A 39 -12.260 -3.742 -2.412 1.00 0.00 C ATOM 557 CD GLU A 39 -13.404 -4.725 -2.155 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.529 -5.673 -2.961 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.127 -4.507 -1.160 1.00 0.00 O ATOM 0 H GLU A 39 -8.792 -3.180 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.775 -3.657 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.328 -4.123 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.073 -5.536 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.251 -2.978 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.421 -3.230 -3.361 1.00 0.00 H new ATOM 566 N GLN A 40 -10.772 -6.369 -0.267 1.00 0.00 N ATOM 567 CA GLN A 40 -10.566 -7.660 0.367 1.00 0.00 C ATOM 568 C GLN A 40 -10.688 -8.784 -0.665 1.00 0.00 C ATOM 569 O GLN A 40 -11.245 -8.583 -1.744 1.00 0.00 O ATOM 570 CB GLN A 40 -11.548 -7.867 1.521 1.00 0.00 C ATOM 571 CG GLN A 40 -12.988 -7.622 1.066 1.00 0.00 C ATOM 572 CD GLN A 40 -13.985 -8.264 2.033 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.788 -9.360 2.532 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.064 -7.522 2.269 1.00 0.00 N ATOM 0 H GLN A 40 -11.738 -6.172 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.558 -7.682 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.452 -8.882 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.301 -7.190 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.176 -6.550 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.132 -8.030 0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.166 -6.613 1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.789 -7.862 2.901 1.00 0.00 H new ATOM 583 N VAL A 41 -10.158 -9.941 -0.298 1.00 0.00 N ATOM 584 CA VAL A 41 -10.201 -11.096 -1.179 1.00 0.00 C ATOM 585 C VAL A 41 -10.985 -12.221 -0.500 1.00 0.00 C ATOM 586 O VAL A 41 -10.619 -12.670 0.585 1.00 0.00 O ATOM 587 CB VAL A 41 -8.780 -11.509 -1.570 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.751 -12.949 -2.087 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.193 -10.544 -2.601 1.00 0.00 C ATOM 0 H VAL A 41 -9.697 -10.104 0.597 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.721 -10.851 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.159 -11.462 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.730 -13.218 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.109 -13.622 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.393 -13.034 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.183 -10.860 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.816 -10.545 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.162 -9.538 -2.182 1.00 0.00 H new ATOM 599 N LYS A 42 -12.049 -12.643 -1.166 1.00 0.00 N ATOM 600 CA LYS A 42 -12.888 -13.707 -0.641 1.00 0.00 C ATOM 601 C LYS A 42 -12.764 -14.939 -1.539 1.00 0.00 C ATOM 602 O LYS A 42 -13.166 -14.908 -2.701 1.00 0.00 O ATOM 603 CB LYS A 42 -14.327 -13.217 -0.464 1.00 0.00 C ATOM 604 CG LYS A 42 -14.530 -12.603 0.923 1.00 0.00 C ATOM 605 CD LYS A 42 -15.998 -12.236 1.150 1.00 0.00 C ATOM 606 CE LYS A 42 -16.524 -12.853 2.447 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.909 -12.404 2.711 1.00 0.00 N ATOM 0 H LYS A 42 -12.350 -12.267 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.552 -14.002 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.560 -12.478 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.018 -14.049 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.205 -13.308 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.909 -11.713 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.103 -11.152 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.598 -12.584 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.495 -13.940 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.879 -12.570 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.250 -12.832 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.927 -11.368 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.524 -12.696 1.925 1.00 0.00 H new ATOM 621 N ALA A 43 -12.206 -15.996 -0.966 1.00 0.00 N ATOM 622 CA ALA A 43 -12.024 -17.236 -1.700 1.00 0.00 C ATOM 623 C ALA A 43 -13.369 -17.956 -1.817 1.00 0.00 C ATOM 624 O ALA A 43 -14.229 -17.818 -0.949 1.00 0.00 O ATOM 625 CB ALA A 43 -10.964 -18.091 -1.004 1.00 0.00 C ATOM 0 H ALA A 43 -11.874 -16.019 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.668 -17.035 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.828 -19.021 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.020 -17.546 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.287 -18.315 0.012 1.00 0.00 H new ATOM 677 N GLU A 47 -11.881 -22.971 -2.082 1.00 0.00 N ATOM 678 CA GLU A 47 -10.573 -22.373 -1.879 1.00 0.00 C ATOM 679 C GLU A 47 -10.365 -22.039 -0.400 1.00 0.00 C ATOM 680 O GLU A 47 -11.201 -22.374 0.439 1.00 0.00 O ATOM 681 CB GLU A 47 -10.398 -21.128 -2.751 1.00 0.00 C ATOM 682 CG GLU A 47 -10.169 -21.512 -4.215 1.00 0.00 C ATOM 683 CD GLU A 47 -8.809 -21.014 -4.706 1.00 0.00 C ATOM 684 OE1 GLU A 47 -7.804 -21.373 -4.055 1.00 0.00 O ATOM 685 OE2 GLU A 47 -8.804 -20.284 -5.721 1.00 0.00 O ATOM 0 HA GLU A 47 -9.815 -23.096 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.283 -20.496 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.554 -20.542 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.224 -22.595 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.960 -21.089 -4.834 1.00 0.00 H new ATOM 692 N SER A 48 -9.246 -21.385 -0.126 1.00 0.00 N ATOM 693 CA SER A 48 -8.918 -21.002 1.237 1.00 0.00 C ATOM 694 C SER A 48 -9.133 -19.499 1.425 1.00 0.00 C ATOM 695 O SER A 48 -8.606 -18.693 0.660 1.00 0.00 O ATOM 696 CB SER A 48 -7.477 -21.380 1.583 1.00 0.00 C ATOM 697 OG SER A 48 -7.392 -22.670 2.183 1.00 0.00 O ATOM 0 H SER A 48 -8.555 -21.111 -0.824 1.00 0.00 H new ATOM 0 HA SER A 48 -9.579 -21.544 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.870 -21.361 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.060 -20.636 2.262 1.00 0.00 H new ATOM 0 HG SER A 48 -6.456 -22.875 2.387 1.00 0.00 H new ATOM 703 N GLU A 49 -9.907 -19.168 2.448 1.00 0.00 N ATOM 704 CA GLU A 49 -10.197 -17.776 2.746 1.00 0.00 C ATOM 705 C GLU A 49 -8.907 -17.024 3.081 1.00 0.00 C ATOM 706 O GLU A 49 -7.871 -17.640 3.324 1.00 0.00 O ATOM 707 CB GLU A 49 -11.211 -17.659 3.886 1.00 0.00 C ATOM 708 CG GLU A 49 -10.541 -17.890 5.242 1.00 0.00 C ATOM 709 CD GLU A 49 -11.512 -18.540 6.230 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.532 -17.886 6.537 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.213 -19.677 6.654 1.00 0.00 O ATOM 0 H GLU A 49 -10.342 -19.840 3.081 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.640 -17.321 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.672 -16.671 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.010 -18.386 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.665 -18.527 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.189 -16.940 5.644 1.00 0.00 H new ATOM 718 N VAL A 50 -9.013 -15.703 3.084 1.00 0.00 N ATOM 719 CA VAL A 50 -7.868 -14.861 3.385 1.00 0.00 C ATOM 720 C VAL A 50 -7.875 -14.512 4.874 1.00 0.00 C ATOM 721 O VAL A 50 -8.825 -13.908 5.370 1.00 0.00 O ATOM 722 CB VAL A 50 -7.874 -13.627 2.481 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.853 -12.592 2.960 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.621 -14.013 1.023 1.00 0.00 C ATOM 0 H VAL A 50 -9.874 -15.195 2.883 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.939 -15.392 3.180 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.864 -13.174 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.877 -11.725 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.098 -12.282 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.855 -13.031 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.631 -13.117 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.650 -14.502 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.401 -14.696 0.687 1.00 0.00 H new ATOM 734 N THR A 51 -6.804 -14.907 5.547 1.00 0.00 N ATOM 735 CA THR A 51 -6.675 -14.644 6.970 1.00 0.00 C ATOM 736 C THR A 51 -5.850 -13.377 7.205 1.00 0.00 C ATOM 737 O THR A 51 -5.877 -12.807 8.295 1.00 0.00 O ATOM 738 CB THR A 51 -6.077 -15.888 7.629 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.844 -16.086 6.944 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.880 -17.155 7.325 1.00 0.00 C ATOM 0 H THR A 51 -6.018 -15.407 5.133 1.00 0.00 H new ATOM 0 HA THR A 51 -7.646 -14.452 7.426 1.00 0.00 H new ATOM 0 HB THR A 51 -6.028 -15.739 8.708 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.389 -16.873 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.413 -18.008 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.899 -17.037 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.901 -17.323 6.248 1.00 0.00 H new ATOM 748 N GLY A 52 -5.136 -12.972 6.164 1.00 0.00 N ATOM 749 CA GLY A 52 -4.305 -11.783 6.244 1.00 0.00 C ATOM 750 C GLY A 52 -3.753 -11.408 4.867 1.00 0.00 C ATOM 751 O GLY A 52 -4.290 -11.827 3.843 1.00 0.00 O ATOM 0 H GLY A 52 -5.116 -13.446 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.888 -10.954 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.481 -11.957 6.936 1.00 0.00 H new ATOM 755 N TYR A 53 -2.687 -10.621 4.887 1.00 0.00 N ATOM 756 CA TYR A 53 -2.056 -10.184 3.653 1.00 0.00 C ATOM 757 C TYR A 53 -0.597 -9.791 3.893 1.00 0.00 C ATOM 758 O TYR A 53 -0.194 -9.546 5.030 1.00 0.00 O ATOM 759 CB TYR A 53 -2.835 -8.950 3.195 1.00 0.00 C ATOM 760 CG TYR A 53 -4.216 -9.266 2.616 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.304 -9.391 3.455 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.373 -9.425 1.254 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.603 -9.689 2.910 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.672 -9.723 0.709 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.723 -9.840 1.564 1.00 0.00 C ATOM 766 OH TYR A 53 -7.950 -10.120 1.049 1.00 0.00 O ATOM 0 H TYR A 53 -2.244 -10.275 5.738 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.067 -10.984 2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.953 -8.273 4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.249 -8.421 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.181 -9.265 4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.522 -9.326 0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.463 -9.790 3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.809 -9.851 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.488 -10.587 1.722 1.00 0.00 H new ATOM 776 N LYS A 54 0.156 -9.742 2.804 1.00 0.00 N ATOM 777 CA LYS A 54 1.562 -9.383 2.882 1.00 0.00 C ATOM 778 C LYS A 54 1.821 -8.159 2.001 1.00 0.00 C ATOM 779 O LYS A 54 1.647 -8.217 0.785 1.00 0.00 O ATOM 780 CB LYS A 54 2.443 -10.586 2.536 1.00 0.00 C ATOM 781 CG LYS A 54 2.352 -11.661 3.621 1.00 0.00 C ATOM 782 CD LYS A 54 3.299 -12.825 3.320 1.00 0.00 C ATOM 783 CE LYS A 54 3.644 -13.595 4.596 1.00 0.00 C ATOM 784 NZ LYS A 54 4.827 -14.457 4.377 1.00 0.00 N ATOM 0 H LYS A 54 -0.181 -9.945 1.863 1.00 0.00 H new ATOM 0 HA LYS A 54 1.828 -9.105 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.134 -11.004 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.478 -10.263 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.600 -11.227 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.328 -12.029 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.836 -13.498 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.212 -12.446 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.842 -12.895 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.794 -14.205 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.048 -14.973 5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.625 -15.137 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.641 -13.868 4.108 1.00 0.00 H new ATOM 798 N VAL A 55 2.232 -7.079 2.650 1.00 0.00 N ATOM 799 CA VAL A 55 2.515 -5.843 1.941 1.00 0.00 C ATOM 800 C VAL A 55 3.981 -5.837 1.502 1.00 0.00 C ATOM 801 O VAL A 55 4.875 -5.598 2.313 1.00 0.00 O ATOM 802 CB VAL A 55 2.148 -4.642 2.815 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.297 -3.332 2.038 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.734 -4.787 3.379 1.00 0.00 C ATOM 0 H VAL A 55 2.376 -7.035 3.659 1.00 0.00 H new ATOM 0 HA VAL A 55 1.905 -5.771 1.041 1.00 0.00 H new ATOM 0 HB VAL A 55 2.843 -4.614 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.030 -2.494 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.330 -3.221 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.638 -3.347 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.498 -3.920 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.020 -4.853 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.675 -5.691 3.985 1.00 0.00 H new ATOM 814 N PHE A 56 4.183 -6.102 0.219 1.00 0.00 N ATOM 815 CA PHE A 56 5.525 -6.130 -0.337 1.00 0.00 C ATOM 816 C PHE A 56 5.941 -4.745 -0.836 1.00 0.00 C ATOM 817 O PHE A 56 5.538 -4.326 -1.920 1.00 0.00 O ATOM 818 CB PHE A 56 5.498 -7.099 -1.520 1.00 0.00 C ATOM 819 CG PHE A 56 5.508 -8.575 -1.117 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.337 -9.215 -0.851 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.686 -9.247 -1.024 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.346 -10.585 -0.476 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.695 -10.617 -0.650 1.00 0.00 C ATOM 824 CZ PHE A 56 5.525 -11.257 -0.384 1.00 0.00 C ATOM 0 H PHE A 56 3.440 -6.299 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 56 6.238 -6.440 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.608 -6.902 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.360 -6.901 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.401 -8.681 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.615 -8.739 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.417 -11.093 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.631 -11.151 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.532 -12.299 -0.100 1.00 0.00 H new ATOM 834 N TYR A 57 6.741 -4.073 -0.022 1.00 0.00 N ATOM 835 CA TYR A 57 7.216 -2.744 -0.368 1.00 0.00 C ATOM 836 C TYR A 57 8.715 -2.759 -0.673 1.00 0.00 C ATOM 837 O TYR A 57 9.491 -3.394 0.041 1.00 0.00 O ATOM 838 CB TYR A 57 6.967 -1.874 0.866 1.00 0.00 C ATOM 839 CG TYR A 57 7.473 -2.487 2.173 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.658 -3.332 2.899 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.744 -2.197 2.625 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.134 -3.910 4.130 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.220 -2.775 3.855 1.00 0.00 C ATOM 844 CZ TYR A 57 8.392 -3.603 4.547 1.00 0.00 C ATOM 845 OH TYR A 57 8.841 -4.148 5.709 1.00 0.00 O ATOM 0 H TYR A 57 7.073 -4.424 0.877 1.00 0.00 H new ATOM 0 HA TYR A 57 6.702 -2.371 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.449 -0.908 0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.897 -1.686 0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.664 -3.560 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.382 -1.537 2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.506 -4.572 4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.213 -2.556 4.220 1.00 0.00 H new ATOM 0 HH TYR A 57 9.722 -4.551 5.562 1.00 0.00 H new ATOM 855 N ARG A 58 9.078 -2.053 -1.733 1.00 0.00 N ATOM 856 CA ARG A 58 10.470 -1.978 -2.142 1.00 0.00 C ATOM 857 C ARG A 58 10.735 -0.667 -2.886 1.00 0.00 C ATOM 858 O ARG A 58 9.823 -0.090 -3.476 1.00 0.00 O ATOM 859 CB ARG A 58 10.844 -3.154 -3.046 1.00 0.00 C ATOM 860 CG ARG A 58 9.674 -3.541 -3.953 1.00 0.00 C ATOM 861 CD ARG A 58 10.173 -4.214 -5.234 1.00 0.00 C ATOM 862 NE ARG A 58 10.832 -3.216 -6.105 1.00 0.00 N ATOM 863 CZ ARG A 58 11.223 -3.460 -7.364 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.022 -4.669 -7.905 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.814 -2.494 -8.081 1.00 0.00 N ATOM 0 H ARG A 58 8.432 -1.527 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 58 11.082 -2.019 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.709 -2.889 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.134 -4.009 -2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.004 -4.216 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.096 -2.652 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.873 -5.012 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.338 -4.675 -5.762 1.00 0.00 H new ATOM 0 HE ARG A 58 10.999 -2.285 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.572 -5.404 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.319 -4.855 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.966 -1.574 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.112 -2.679 -9.039 1.00 0.00 H new ATOM 879 N THR A 59 11.986 -0.236 -2.833 1.00 0.00 N ATOM 880 CA THR A 59 12.382 0.995 -3.495 1.00 0.00 C ATOM 881 C THR A 59 12.512 0.772 -5.003 1.00 0.00 C ATOM 882 O THR A 59 12.547 -0.367 -5.465 1.00 0.00 O ATOM 883 CB THR A 59 13.674 1.489 -2.841 1.00 0.00 C ATOM 884 OG1 THR A 59 14.352 0.293 -2.464 1.00 0.00 O ATOM 885 CG2 THR A 59 13.421 2.208 -1.514 1.00 0.00 C ATOM 0 H THR A 59 12.739 -0.717 -2.342 1.00 0.00 H new ATOM 0 HA THR A 59 11.624 1.769 -3.377 1.00 0.00 H new ATOM 0 HB THR A 59 14.193 2.161 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.202 0.521 -2.033 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.370 2.538 -1.092 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.780 3.073 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.932 1.526 -0.818 1.00 0.00 H new ATOM 893 N SER A 60 12.578 1.879 -5.729 1.00 0.00 N ATOM 894 CA SER A 60 12.702 1.819 -7.175 1.00 0.00 C ATOM 895 C SER A 60 13.750 0.775 -7.568 1.00 0.00 C ATOM 896 O SER A 60 13.652 0.162 -8.629 1.00 0.00 O ATOM 897 CB SER A 60 13.073 3.186 -7.753 1.00 0.00 C ATOM 898 OG SER A 60 14.467 3.289 -8.030 1.00 0.00 O ATOM 0 H SER A 60 12.548 2.822 -5.342 1.00 0.00 H new ATOM 0 HA SER A 60 11.736 1.529 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.508 3.357 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.785 3.967 -7.050 1.00 0.00 H new ATOM 0 HG SER A 60 14.663 4.176 -8.399 1.00 0.00 H new ATOM 960 N VAL A 65 12.382 -7.704 -2.275 1.00 0.00 N ATOM 961 CA VAL A 65 11.414 -6.851 -1.607 1.00 0.00 C ATOM 962 C VAL A 65 11.158 -7.385 -0.196 1.00 0.00 C ATOM 963 O VAL A 65 11.464 -8.539 0.100 1.00 0.00 O ATOM 964 CB VAL A 65 10.140 -6.748 -2.448 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.605 -8.137 -2.805 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.074 -5.919 -1.729 1.00 0.00 C ATOM 0 HA VAL A 65 11.803 -5.838 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 65 10.392 -6.237 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.699 -8.035 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.357 -8.681 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.377 -8.685 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.179 -5.861 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.827 -6.390 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.455 -4.914 -1.548 1.00 0.00 H new ATOM 976 N GLN A 66 10.599 -6.519 0.637 1.00 0.00 N ATOM 977 CA GLN A 66 10.299 -6.889 2.009 1.00 0.00 C ATOM 978 C GLN A 66 8.841 -7.338 2.131 1.00 0.00 C ATOM 979 O GLN A 66 8.095 -7.308 1.154 1.00 0.00 O ATOM 980 CB GLN A 66 10.598 -5.734 2.967 1.00 0.00 C ATOM 981 CG GLN A 66 11.951 -5.928 3.654 1.00 0.00 C ATOM 982 CD GLN A 66 12.133 -4.928 4.798 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.193 -4.538 5.471 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.391 -4.538 4.981 1.00 0.00 N ATOM 0 H GLN A 66 10.346 -5.563 0.388 1.00 0.00 H new ATOM 0 HA GLN A 66 10.941 -7.724 2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.596 -4.792 2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.811 -5.667 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.025 -6.945 4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.753 -5.804 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.131 -4.904 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.616 -3.873 5.721 1.00 0.00 H new ATOM 993 N VAL A 67 8.480 -7.745 3.339 1.00 0.00 N ATOM 994 CA VAL A 67 7.125 -8.201 3.601 1.00 0.00 C ATOM 995 C VAL A 67 6.661 -7.656 4.953 1.00 0.00 C ATOM 996 O VAL A 67 7.439 -7.603 5.905 1.00 0.00 O ATOM 997 CB VAL A 67 7.060 -9.727 3.517 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.786 -10.259 4.177 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.165 -10.201 2.067 1.00 0.00 C ATOM 0 H VAL A 67 9.102 -7.769 4.147 1.00 0.00 H new ATOM 0 HA VAL A 67 6.440 -7.819 2.844 1.00 0.00 H new ATOM 0 HB VAL A 67 7.913 -10.129 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.765 -11.346 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.771 -9.966 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.914 -9.844 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.116 -11.289 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.342 -9.784 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.112 -9.868 1.643 1.00 0.00 H new ATOM 1009 N LEU A 68 5.396 -7.264 4.995 1.00 0.00 N ATOM 1010 CA LEU A 68 4.820 -6.725 6.215 1.00 0.00 C ATOM 1011 C LEU A 68 3.576 -7.535 6.588 1.00 0.00 C ATOM 1012 O LEU A 68 2.645 -7.651 5.793 1.00 0.00 O ATOM 1013 CB LEU A 68 4.555 -5.226 6.066 1.00 0.00 C ATOM 1014 CG LEU A 68 3.331 -4.684 6.808 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.603 -3.285 7.364 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.090 -4.715 5.914 1.00 0.00 C ATOM 0 H LEU A 68 4.754 -7.309 4.204 1.00 0.00 H new ATOM 0 HA LEU A 68 5.523 -6.820 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.435 -4.685 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.441 -5.001 5.006 1.00 0.00 H new ATOM 0 HG LEU A 68 3.131 -5.335 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.718 -2.923 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.443 -3.326 8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.843 -2.608 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.235 -4.325 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.263 -4.101 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.887 -5.741 5.609 1.00 0.00 H new ATOM 1028 N ASN A 69 3.602 -8.076 7.797 1.00 0.00 N ATOM 1029 CA ASN A 69 2.488 -8.872 8.285 1.00 0.00 C ATOM 1030 C ASN A 69 1.371 -7.941 8.761 1.00 0.00 C ATOM 1031 O ASN A 69 1.547 -7.196 9.724 1.00 0.00 O ATOM 1032 CB ASN A 69 2.912 -9.745 9.468 1.00 0.00 C ATOM 1033 CG ASN A 69 2.131 -11.061 9.484 1.00 0.00 C ATOM 1034 OD1 ASN A 69 1.221 -11.263 10.271 1.00 0.00 O ATOM 1035 ND2 ASN A 69 2.537 -11.943 8.575 1.00 0.00 N ATOM 0 H ASN A 69 4.377 -7.979 8.453 1.00 0.00 H new ATOM 0 HA ASN A 69 2.147 -9.510 7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.980 -9.952 9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.744 -9.207 10.401 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.080 -12.852 8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.306 -11.710 7.946 1.00 0.00 H new ATOM 1042 N THR A 70 0.247 -8.014 8.064 1.00 0.00 N ATOM 1043 CA THR A 70 -0.899 -7.187 8.403 1.00 0.00 C ATOM 1044 C THR A 70 -2.168 -8.038 8.475 1.00 0.00 C ATOM 1045 O THR A 70 -2.384 -8.909 7.635 1.00 0.00 O ATOM 1046 CB THR A 70 -0.984 -6.054 7.379 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.377 -5.764 7.297 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.615 -6.512 5.966 1.00 0.00 C ATOM 0 H THR A 70 0.105 -8.633 7.266 1.00 0.00 H new ATOM 0 HA THR A 70 -0.787 -6.742 9.392 1.00 0.00 H new ATOM 0 HB THR A 70 -0.323 -5.242 7.681 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.507 -4.915 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.692 -5.669 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.407 -6.892 5.962 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.297 -7.301 5.650 1.00 0.00 H new ATOM 1056 N ASN A 71 -2.975 -7.755 9.487 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.218 -8.483 9.680 1.00 0.00 C ATOM 1058 C ASN A 71 -5.396 -7.578 9.316 1.00 0.00 C ATOM 1059 O ASN A 71 -6.355 -7.464 10.078 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.384 -8.912 11.139 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.592 -10.188 11.429 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.825 -10.673 10.613 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.819 -10.704 12.634 1.00 0.00 N ATOM 0 H ASN A 71 -2.792 -7.031 10.182 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.192 -9.368 9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.046 -8.112 11.798 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.439 -9.078 11.355 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.338 -11.556 12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.474 -10.248 13.269 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.286 -6.957 8.151 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.331 -6.066 7.676 1.00 0.00 C ATOM 1072 C LYS A 72 -6.232 -5.935 6.155 1.00 0.00 C ATOM 1073 O LYS A 72 -5.545 -6.721 5.504 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.269 -4.727 8.414 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.901 -4.064 8.233 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.220 -3.835 9.584 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.137 -2.760 9.476 1.00 0.00 C ATOM 1078 NZ LYS A 72 -2.391 -2.648 10.749 1.00 0.00 N ATOM 0 H LYS A 72 -4.489 -7.053 7.522 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.315 -6.481 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.050 -4.065 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.464 -4.883 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.269 -4.692 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.020 -3.112 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.963 -3.535 10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.778 -4.767 9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.451 -3.006 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.591 -1.801 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.660 -1.914 10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.047 -2.391 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.942 -3.560 10.969 1.00 0.00 H new ATOM 1092 N THR A 73 -6.929 -4.937 5.632 1.00 0.00 N ATOM 1093 CA THR A 73 -6.928 -4.693 4.200 1.00 0.00 C ATOM 1094 C THR A 73 -6.110 -3.443 3.872 1.00 0.00 C ATOM 1095 O THR A 73 -6.024 -3.039 2.713 1.00 0.00 O ATOM 1096 CB THR A 73 -8.383 -4.607 3.734 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.084 -4.121 4.875 1.00 0.00 O ATOM 1098 CG2 THR A 73 -8.998 -5.984 3.477 1.00 0.00 C ATOM 0 H THR A 73 -7.498 -4.288 6.175 1.00 0.00 H new ATOM 0 HA THR A 73 -6.446 -5.508 3.660 1.00 0.00 H new ATOM 0 HB THR A 73 -8.438 -4.010 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.747 -3.232 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.031 -5.866 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.428 -6.498 2.703 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.974 -6.570 4.396 1.00 0.00 H new ATOM 1106 N SER A 74 -5.529 -2.864 4.913 1.00 0.00 N ATOM 1107 CA SER A 74 -4.721 -1.668 4.751 1.00 0.00 C ATOM 1108 C SER A 74 -3.323 -1.898 5.329 1.00 0.00 C ATOM 1109 O SER A 74 -2.983 -3.016 5.714 1.00 0.00 O ATOM 1110 CB SER A 74 -5.381 -0.462 5.422 1.00 0.00 C ATOM 1111 OG SER A 74 -5.635 -0.693 6.805 1.00 0.00 O ATOM 0 H SER A 74 -5.602 -3.202 5.873 1.00 0.00 H new ATOM 0 HA SER A 74 -4.636 -1.455 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.737 0.411 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.318 -0.233 4.915 1.00 0.00 H new ATOM 0 HG SER A 74 -6.055 0.101 7.197 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.551 -0.822 5.372 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.198 -0.893 5.897 1.00 0.00 C ATOM 1119 C ALA A 75 -0.611 0.518 5.975 1.00 0.00 C ATOM 1120 O ALA A 75 -1.224 1.475 5.506 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.359 -1.826 5.021 1.00 0.00 C ATOM 0 H ALA A 75 -2.837 0.103 5.052 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.199 -1.306 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.656 -1.879 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.802 -2.822 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.333 -1.442 4.001 1.00 0.00 H new ATOM 1127 N GLU A 76 0.569 0.601 6.570 1.00 0.00 N ATOM 1128 CA GLU A 76 1.245 1.879 6.716 1.00 0.00 C ATOM 1129 C GLU A 76 2.757 1.700 6.562 1.00 0.00 C ATOM 1130 O GLU A 76 3.392 1.025 7.371 1.00 0.00 O ATOM 1131 CB GLU A 76 0.904 2.530 8.057 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.551 3.003 8.083 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.060 3.132 9.520 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.313 2.071 10.130 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.184 4.289 9.977 1.00 0.00 O ATOM 0 H GLU A 76 1.075 -0.196 6.957 1.00 0.00 H new ATOM 0 HA GLU A 76 0.895 2.545 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.073 1.818 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.568 3.376 8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.634 3.965 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.176 2.299 7.534 1.00 0.00 H new ATOM 1142 N LEU A 77 3.290 2.316 5.517 1.00 0.00 N ATOM 1143 CA LEU A 77 4.716 2.233 5.247 1.00 0.00 C ATOM 1144 C LEU A 77 5.361 3.595 5.512 1.00 0.00 C ATOM 1145 O LEU A 77 4.685 4.535 5.927 1.00 0.00 O ATOM 1146 CB LEU A 77 4.963 1.701 3.834 1.00 0.00 C ATOM 1147 CG LEU A 77 4.373 0.323 3.523 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.015 -0.758 4.395 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.849 0.337 3.658 1.00 0.00 C ATOM 0 H LEU A 77 2.761 2.874 4.847 1.00 0.00 H new ATOM 0 HA LEU A 77 5.190 1.519 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.556 2.418 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.039 1.660 3.666 1.00 0.00 H new ATOM 0 HG LEU A 77 4.603 0.079 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.578 -1.727 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.088 -0.787 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.837 -0.531 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.455 -0.654 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.576 0.612 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.429 1.063 2.962 1.00 0.00 H new ATOM 1161 N VAL A 78 6.660 3.658 5.260 1.00 0.00 N ATOM 1162 CA VAL A 78 7.404 4.889 5.467 1.00 0.00 C ATOM 1163 C VAL A 78 7.215 5.803 4.255 1.00 0.00 C ATOM 1164 O VAL A 78 6.580 5.417 3.275 1.00 0.00 O ATOM 1165 CB VAL A 78 8.873 4.571 5.753 1.00 0.00 C ATOM 1166 CG1 VAL A 78 9.016 3.748 7.034 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.520 3.855 4.566 1.00 0.00 C ATOM 0 H VAL A 78 7.217 2.876 4.914 1.00 0.00 H new ATOM 0 HA VAL A 78 7.026 5.422 6.339 1.00 0.00 H new ATOM 0 HB VAL A 78 9.398 5.515 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.070 3.536 7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.610 4.310 7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.470 2.811 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.564 3.641 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.992 2.921 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.466 4.492 3.683 1.00 0.00 H new ATOM 1177 N LEU A 79 7.778 6.998 4.361 1.00 0.00 N ATOM 1178 CA LEU A 79 7.679 7.970 3.286 1.00 0.00 C ATOM 1179 C LEU A 79 8.666 7.599 2.177 1.00 0.00 C ATOM 1180 O LEU A 79 9.700 6.988 2.440 1.00 0.00 O ATOM 1181 CB LEU A 79 7.867 9.389 3.827 1.00 0.00 C ATOM 1182 CG LEU A 79 8.897 9.548 4.948 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.200 8.824 4.603 1.00 0.00 C ATOM 1184 CD2 LEU A 79 9.130 11.025 5.272 1.00 0.00 C ATOM 0 H LEU A 79 8.304 7.315 5.175 1.00 0.00 H new ATOM 0 HA LEU A 79 6.682 7.951 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.157 10.037 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.905 9.748 4.191 1.00 0.00 H new ATOM 0 HG LEU A 79 8.498 9.080 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.914 8.953 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.000 7.762 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.616 9.240 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.866 11.110 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.498 11.539 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.192 11.480 5.592 1.00 0.00 H new ATOM 1196 N PRO A 80 8.301 7.994 0.928 1.00 0.00 N ATOM 1197 CA PRO A 80 9.143 7.710 -0.223 1.00 0.00 C ATOM 1198 C PRO A 80 10.364 8.631 -0.250 1.00 0.00 C ATOM 1199 O PRO A 80 10.230 9.841 -0.428 1.00 0.00 O ATOM 1200 CB PRO A 80 8.235 7.891 -1.428 1.00 0.00 C ATOM 1201 CG PRO A 80 7.055 8.717 -0.942 1.00 0.00 C ATOM 1202 CD PRO A 80 7.084 8.720 0.578 1.00 0.00 C ATOM 0 HA PRO A 80 9.559 6.703 -0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.759 8.398 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.904 6.928 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.117 9.735 -1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.118 8.295 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.102 9.736 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.200 8.234 0.992 1.00 0.00 H new ATOM 1210 N ILE A 81 11.528 8.023 -0.070 1.00 0.00 N ATOM 1211 CA ILE A 81 12.772 8.774 -0.072 1.00 0.00 C ATOM 1212 C ILE A 81 13.333 8.819 -1.494 1.00 0.00 C ATOM 1213 O ILE A 81 14.046 7.908 -1.913 1.00 0.00 O ATOM 1214 CB ILE A 81 13.747 8.197 0.956 1.00 0.00 C ATOM 1215 CG1 ILE A 81 13.067 8.015 2.315 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.009 9.056 1.057 1.00 0.00 C ATOM 1217 CD1 ILE A 81 12.601 6.570 2.506 1.00 0.00 C ATOM 0 H ILE A 81 11.636 7.020 0.078 1.00 0.00 H new ATOM 0 HA ILE A 81 12.595 9.805 0.234 1.00 0.00 H new ATOM 0 HB ILE A 81 14.057 7.209 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 81 13.760 8.286 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.214 8.689 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 81 15.685 8.624 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 81 15.504 9.090 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 81 14.738 10.067 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.121 6.468 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.890 6.310 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.460 5.901 2.453 1.00 0.00 H new ATOM 1229 N LYS A 82 12.991 9.888 -2.198 1.00 0.00 N ATOM 1230 CA LYS A 82 13.452 10.063 -3.565 1.00 0.00 C ATOM 1231 C LYS A 82 12.998 8.871 -4.409 1.00 0.00 C ATOM 1232 O LYS A 82 11.897 8.876 -4.956 1.00 0.00 O ATOM 1233 CB LYS A 82 14.963 10.298 -3.594 1.00 0.00 C ATOM 1234 CG LYS A 82 15.288 11.791 -3.506 1.00 0.00 C ATOM 1235 CD LYS A 82 15.725 12.174 -2.090 1.00 0.00 C ATOM 1236 CE LYS A 82 17.249 12.148 -1.960 1.00 0.00 C ATOM 1237 NZ LYS A 82 17.705 13.176 -0.998 1.00 0.00 N ATOM 0 H LYS A 82 12.400 10.642 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 82 13.006 10.954 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.433 9.770 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.381 9.885 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.080 12.037 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.413 12.375 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.353 13.169 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.283 11.485 -1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.575 11.162 -1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.706 12.325 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.742 13.145 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.411 14.117 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.284 12.990 -0.066 1.00 0.00 H new ATOM 1251 N GLU A 83 13.871 7.876 -4.488 1.00 0.00 N ATOM 1252 CA GLU A 83 13.573 6.679 -5.256 1.00 0.00 C ATOM 1253 C GLU A 83 12.103 6.290 -5.085 1.00 0.00 C ATOM 1254 O GLU A 83 11.548 6.414 -3.995 1.00 0.00 O ATOM 1255 CB GLU A 83 14.496 5.527 -4.853 1.00 0.00 C ATOM 1256 CG GLU A 83 13.938 4.775 -3.643 1.00 0.00 C ATOM 1257 CD GLU A 83 15.068 4.239 -2.762 1.00 0.00 C ATOM 1258 OE1 GLU A 83 15.982 3.607 -3.334 1.00 0.00 O ATOM 1259 OE2 GLU A 83 14.992 4.473 -1.537 1.00 0.00 O ATOM 0 H GLU A 83 14.784 7.875 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 83 13.751 6.893 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.613 4.840 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.487 5.915 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.301 5.440 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.312 3.949 -3.981 1.00 0.00 H new ATOM 1266 N ASP A 84 11.516 5.829 -6.179 1.00 0.00 N ATOM 1267 CA ASP A 84 10.121 5.421 -6.164 1.00 0.00 C ATOM 1268 C ASP A 84 9.951 4.234 -5.213 1.00 0.00 C ATOM 1269 O ASP A 84 10.935 3.674 -4.732 1.00 0.00 O ATOM 1270 CB ASP A 84 9.661 4.982 -7.555 1.00 0.00 C ATOM 1271 CG ASP A 84 9.778 6.051 -8.643 1.00 0.00 C ATOM 1272 OD1 ASP A 84 10.482 7.051 -8.382 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.161 5.845 -9.711 1.00 0.00 O ATOM 0 H ASP A 84 11.980 5.729 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 84 9.524 6.273 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.245 4.113 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.621 4.661 -7.493 1.00 0.00 H new ATOM 1278 N TYR A 85 8.696 3.885 -4.972 1.00 0.00 N ATOM 1279 CA TYR A 85 8.385 2.775 -4.087 1.00 0.00 C ATOM 1280 C TYR A 85 7.410 1.802 -4.752 1.00 0.00 C ATOM 1281 O TYR A 85 6.309 2.189 -5.142 1.00 0.00 O ATOM 1282 CB TYR A 85 7.714 3.391 -2.858 1.00 0.00 C ATOM 1283 CG TYR A 85 8.000 2.644 -1.553 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.289 2.255 -1.249 1.00 0.00 C ATOM 1285 CD2 TYR A 85 6.969 2.360 -0.681 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.558 1.553 -0.022 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.238 1.657 0.546 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.519 1.288 0.816 1.00 0.00 C ATOM 1289 OH TYR A 85 8.774 0.624 1.975 1.00 0.00 O ATOM 0 H TYR A 85 7.883 4.351 -5.374 1.00 0.00 H new ATOM 0 HA TYR A 85 9.288 2.219 -3.835 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.047 4.424 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.637 3.418 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.096 2.477 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.961 2.665 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.562 1.243 0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.440 1.428 1.237 1.00 0.00 H new ATOM 0 HH TYR A 85 8.320 -0.244 1.961 1.00 0.00 H new ATOM 1299 N ILE A 86 7.849 0.556 -4.860 1.00 0.00 N ATOM 1300 CA ILE A 86 7.028 -0.476 -5.471 1.00 0.00 C ATOM 1301 C ILE A 86 6.367 -1.312 -4.373 1.00 0.00 C ATOM 1302 O ILE A 86 7.017 -2.152 -3.752 1.00 0.00 O ATOM 1303 CB ILE A 86 7.854 -1.302 -6.460 1.00 0.00 C ATOM 1304 CG1 ILE A 86 9.064 -0.509 -6.960 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.984 -1.807 -7.612 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.639 0.858 -7.500 1.00 0.00 C ATOM 0 H ILE A 86 8.762 0.238 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 86 6.226 -0.028 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 86 8.237 -2.179 -5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.778 -0.377 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.573 -1.071 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.595 -2.391 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.184 -2.433 -7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.552 -0.958 -8.141 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.518 1.401 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.944 0.722 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.152 1.427 -6.708 1.00 0.00 H new ATOM 1318 N ILE A 87 5.084 -1.053 -4.168 1.00 0.00 N ATOM 1319 CA ILE A 87 4.329 -1.771 -3.156 1.00 0.00 C ATOM 1320 C ILE A 87 3.508 -2.874 -3.826 1.00 0.00 C ATOM 1321 O ILE A 87 2.974 -2.680 -4.917 1.00 0.00 O ATOM 1322 CB ILE A 87 3.489 -0.799 -2.324 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.211 0.539 -2.151 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.103 -1.420 -0.980 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.765 1.240 -0.866 1.00 0.00 C ATOM 0 H ILE A 87 4.548 -0.356 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 87 5.003 -2.258 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 87 2.563 -0.598 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.288 0.374 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.007 1.180 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.507 -0.709 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.522 -2.326 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.005 -1.668 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.293 2.188 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.692 1.425 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.992 0.607 -0.008 1.00 0.00 H new ATOM 1337 N GLU A 88 3.432 -4.008 -3.145 1.00 0.00 N ATOM 1338 CA GLU A 88 2.685 -5.143 -3.660 1.00 0.00 C ATOM 1339 C GLU A 88 1.871 -5.795 -2.541 1.00 0.00 C ATOM 1340 O GLU A 88 2.428 -6.221 -1.531 1.00 0.00 O ATOM 1341 CB GLU A 88 3.618 -6.158 -4.323 1.00 0.00 C ATOM 1342 CG GLU A 88 3.697 -5.925 -5.833 1.00 0.00 C ATOM 1343 CD GLU A 88 3.558 -7.243 -6.599 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.286 -8.191 -6.234 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.726 -7.272 -7.531 1.00 0.00 O ATOM 0 H GLU A 88 3.876 -4.165 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 88 1.994 -4.783 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.614 -6.081 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.261 -7.169 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.909 -5.237 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.648 -5.454 -6.083 1.00 0.00 H new ATOM 1352 N VAL A 89 0.565 -5.853 -2.759 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.331 -6.447 -1.782 1.00 0.00 C ATOM 1354 C VAL A 89 -0.523 -7.930 -2.106 1.00 0.00 C ATOM 1355 O VAL A 89 -0.697 -8.298 -3.266 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.649 -5.669 -1.740 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.605 -6.267 -0.706 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.400 -4.185 -1.464 1.00 0.00 C ATOM 0 H VAL A 89 0.106 -5.498 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 89 0.100 -6.386 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.120 -5.753 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.534 -5.696 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.819 -7.304 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.144 -6.228 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.352 -3.655 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.897 -4.073 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.773 -3.768 -2.252 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.484 -8.741 -1.059 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.650 -10.176 -1.217 1.00 0.00 C ATOM 1370 C LYS A 90 -1.575 -10.702 -0.118 1.00 0.00 C ATOM 1371 O LYS A 90 -1.546 -10.212 1.010 1.00 0.00 O ATOM 1372 CB LYS A 90 0.711 -10.872 -1.261 1.00 0.00 C ATOM 1373 CG LYS A 90 1.116 -11.195 -2.701 1.00 0.00 C ATOM 1374 CD LYS A 90 1.819 -12.551 -2.782 1.00 0.00 C ATOM 1375 CE LYS A 90 3.326 -12.377 -2.975 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.875 -13.481 -3.794 1.00 0.00 N ATOM 0 H LYS A 90 -0.340 -8.432 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.127 -10.401 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.465 -10.233 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.673 -11.791 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.232 -11.201 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.777 -10.416 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.629 -13.118 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.407 -13.129 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.529 -11.422 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.823 -12.354 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.899 -13.347 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.698 -14.388 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.414 -13.484 -4.726 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.374 -11.693 -0.485 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.305 -12.291 0.457 1.00 0.00 C ATOM 1392 C ALA A 91 -2.694 -13.573 1.028 1.00 0.00 C ATOM 1393 O ALA A 91 -2.058 -14.337 0.304 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.644 -12.544 -0.240 1.00 0.00 C ATOM 0 H ALA A 91 -2.396 -12.097 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.493 -11.616 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.343 -12.993 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.050 -11.599 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.494 -13.220 -1.081 1.00 0.00 H new ATOM 1400 N THR A 92 -2.909 -13.768 2.320 1.00 0.00 N ATOM 1401 CA THR A 92 -2.388 -14.943 2.997 1.00 0.00 C ATOM 1402 C THR A 92 -3.520 -15.922 3.315 1.00 0.00 C ATOM 1403 O THR A 92 -4.633 -15.506 3.631 1.00 0.00 O ATOM 1404 CB THR A 92 -1.623 -14.475 4.236 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.628 -13.902 5.069 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.678 -13.310 3.936 1.00 0.00 C ATOM 0 H THR A 92 -3.437 -13.132 2.917 1.00 0.00 H new ATOM 0 HA THR A 92 -1.696 -15.492 2.359 1.00 0.00 H new ATOM 0 HB THR A 92 -1.052 -15.308 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.219 -13.574 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.160 -13.017 4.849 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.052 -13.617 3.187 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.252 -12.464 3.557 1.00 0.00 H new ATOM 1414 N THR A 93 -3.196 -17.203 3.219 1.00 0.00 N ATOM 1415 CA THR A 93 -4.172 -18.244 3.493 1.00 0.00 C ATOM 1416 C THR A 93 -3.531 -19.378 4.295 1.00 0.00 C ATOM 1417 O THR A 93 -2.390 -19.262 4.738 1.00 0.00 O ATOM 1418 CB THR A 93 -4.762 -18.702 2.158 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.637 -18.765 1.285 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.666 -17.644 1.523 1.00 0.00 C ATOM 0 H THR A 93 -2.271 -17.544 2.955 1.00 0.00 H new ATOM 0 HA THR A 93 -4.986 -17.869 4.113 1.00 0.00 H new ATOM 0 HB THR A 93 -5.329 -19.621 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.347 -19.697 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.058 -18.020 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.494 -17.421 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.091 -16.736 1.341 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.294 -20.449 4.458 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.815 -21.603 5.199 1.00 0.00 C ATOM 1430 C ASP A 94 -2.715 -22.299 4.396 1.00 0.00 C ATOM 1431 O ASP A 94 -1.919 -23.055 4.952 1.00 0.00 O ATOM 1432 CB ASP A 94 -4.941 -22.613 5.433 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.177 -22.991 6.897 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.551 -22.338 7.760 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -5.978 -23.925 7.120 1.00 0.00 O ATOM 0 H ASP A 94 -5.241 -20.542 4.089 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.438 -21.254 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.866 -22.204 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.718 -23.520 4.871 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.705 -22.019 3.101 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.715 -22.609 2.216 1.00 0.00 C ATOM 1442 C GLY A 95 -0.458 -21.740 2.143 1.00 0.00 C ATOM 1443 O GLY A 95 0.655 -22.257 2.055 1.00 0.00 O ATOM 0 H GLY A 95 -3.366 -21.392 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.452 -23.606 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.138 -22.727 1.218 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.677 -20.434 2.182 1.00 0.00 N ATOM 1448 CA GLY A 96 0.424 -19.488 2.121 1.00 0.00 C ATOM 1449 C GLY A 96 -0.016 -18.175 1.470 1.00 0.00 C ATOM 1450 O GLY A 96 -1.130 -17.707 1.699 1.00 0.00 O ATOM 0 H GLY A 96 -1.601 -20.009 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.796 -19.292 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.249 -19.920 1.554 1.00 0.00 H new ATOM 1454 N ASP A 97 0.882 -17.617 0.672 1.00 0.00 N ATOM 1455 CA ASP A 97 0.601 -16.367 -0.014 1.00 0.00 C ATOM 1456 C ASP A 97 -0.291 -16.645 -1.226 1.00 0.00 C ATOM 1457 O ASP A 97 -0.464 -17.796 -1.623 1.00 0.00 O ATOM 1458 CB ASP A 97 1.889 -15.711 -0.515 1.00 0.00 C ATOM 1459 CG ASP A 97 3.156 -16.114 0.241 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.081 -16.164 1.488 1.00 0.00 O ATOM 1461 OD2 ASP A 97 4.171 -16.363 -0.444 1.00 0.00 O ATOM 0 H ASP A 97 1.805 -18.008 0.485 1.00 0.00 H new ATOM 0 HA ASP A 97 0.108 -15.699 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.019 -15.958 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.776 -14.629 -0.453 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.835 -15.571 -1.779 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.705 -15.684 -2.937 1.00 0.00 C ATOM 1468 C GLY A 98 -1.135 -14.911 -4.128 1.00 0.00 C ATOM 1469 O GLY A 98 0.013 -15.121 -4.517 1.00 0.00 O ATOM 0 H GLY A 98 -0.690 -14.618 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.826 -16.734 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.696 -15.301 -2.691 1.00 0.00 H new ATOM 1473 N THR A 99 -1.964 -14.034 -4.674 1.00 0.00 N ATOM 1474 CA THR A 99 -1.557 -13.228 -5.814 1.00 0.00 C ATOM 1475 C THR A 99 -1.147 -11.827 -5.357 1.00 0.00 C ATOM 1476 O THR A 99 -1.692 -11.302 -4.387 1.00 0.00 O ATOM 1477 CB THR A 99 -2.704 -13.227 -6.825 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.177 -14.571 -6.816 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.219 -13.012 -8.261 1.00 0.00 C ATOM 0 H THR A 99 -2.916 -13.863 -4.349 1.00 0.00 H new ATOM 0 HA THR A 99 -0.676 -13.647 -6.301 1.00 0.00 H new ATOM 0 HB THR A 99 -3.418 -12.446 -6.562 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.924 -14.659 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.073 -13.020 -8.938 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.708 -12.052 -8.333 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.530 -13.811 -8.536 1.00 0.00 H new ATOM 1487 N SER A 100 -0.191 -11.260 -6.077 1.00 0.00 N ATOM 1488 CA SER A 100 0.298 -9.929 -5.758 1.00 0.00 C ATOM 1489 C SER A 100 -0.370 -8.895 -6.666 1.00 0.00 C ATOM 1490 O SER A 100 -0.181 -8.916 -7.881 1.00 0.00 O ATOM 1491 CB SER A 100 1.820 -9.854 -5.898 1.00 0.00 C ATOM 1492 OG SER A 100 2.465 -10.993 -5.336 1.00 0.00 O ATOM 0 H SER A 100 0.259 -11.698 -6.881 1.00 0.00 H new ATOM 0 HA SER A 100 0.044 -9.710 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.083 -9.772 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.185 -8.952 -5.407 1.00 0.00 H new ATOM 0 HG SER A 100 3.433 -10.923 -5.475 1.00 0.00 H new ATOM 1498 N SER A 101 -1.138 -8.015 -6.041 1.00 0.00 N ATOM 1499 CA SER A 101 -1.836 -6.974 -6.777 1.00 0.00 C ATOM 1500 C SER A 101 -0.839 -6.160 -7.604 1.00 0.00 C ATOM 1501 O SER A 101 0.365 -6.208 -7.355 1.00 0.00 O ATOM 1502 CB SER A 101 -2.614 -6.057 -5.831 1.00 0.00 C ATOM 1503 OG SER A 101 -1.760 -5.407 -4.895 1.00 0.00 O ATOM 0 H SER A 101 -1.293 -8.001 -5.033 1.00 0.00 H new ATOM 0 HA SER A 101 -2.551 -7.450 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.151 -5.308 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.362 -6.640 -5.295 1.00 0.00 H new ATOM 0 HG SER A 101 -1.451 -4.556 -5.270 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.376 -5.431 -8.571 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.549 -4.607 -9.436 1.00 0.00 C ATOM 1511 C GLU A 102 0.378 -3.723 -8.599 1.00 0.00 C ATOM 1512 O GLU A 102 -0.086 -2.936 -7.775 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.410 -3.763 -10.377 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.854 -2.465 -9.698 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.076 -1.869 -10.400 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -3.954 -2.670 -10.788 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.104 -0.627 -10.533 1.00 0.00 O ATOM 0 H GLU A 102 -2.375 -5.394 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 102 0.066 -5.264 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.847 -3.531 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.286 -4.334 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.090 -2.660 -8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.036 -1.745 -9.711 1.00 0.00 H new ATOM 1524 N GLN A 103 1.671 -3.882 -8.838 1.00 0.00 N ATOM 1525 CA GLN A 103 2.667 -3.108 -8.117 1.00 0.00 C ATOM 1526 C GLN A 103 2.287 -1.626 -8.114 1.00 0.00 C ATOM 1527 O GLN A 103 1.886 -1.083 -9.142 1.00 0.00 O ATOM 1528 CB GLN A 103 4.060 -3.316 -8.713 1.00 0.00 C ATOM 1529 CG GLN A 103 4.332 -2.313 -9.836 1.00 0.00 C ATOM 1530 CD GLN A 103 5.637 -2.644 -10.563 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.586 -1.877 -10.569 1.00 0.00 O ATOM 1532 NE2 GLN A 103 5.631 -3.825 -11.174 1.00 0.00 N ATOM 0 H GLN A 103 2.052 -4.536 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 103 2.694 -3.458 -7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.813 -3.207 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.146 -4.332 -9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.504 -2.322 -10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.387 -1.306 -9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.802 -4.418 -11.129 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.455 -4.138 -11.688 1.00 0.00 H new ATOM 1541 N ILE A 104 2.427 -1.014 -6.947 1.00 0.00 N ATOM 1542 CA ILE A 104 2.104 0.394 -6.797 1.00 0.00 C ATOM 1543 C ILE A 104 3.337 1.235 -7.136 1.00 0.00 C ATOM 1544 O ILE A 104 4.465 0.751 -7.050 1.00 0.00 O ATOM 1545 CB ILE A 104 1.537 0.668 -5.403 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.736 -0.531 -4.892 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.711 1.956 -5.391 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.393 -0.081 -3.963 1.00 0.00 C ATOM 0 H ILE A 104 2.760 -1.468 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 104 1.320 0.681 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 104 2.371 0.814 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.320 -1.081 -5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.398 -1.215 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.319 2.128 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.342 2.796 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.118 1.863 -6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.946 -0.953 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.028 0.447 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.066 0.584 -4.504 1.00 0.00 H new ATOM 1560 N ARG A 105 3.080 2.479 -7.512 1.00 0.00 N ATOM 1561 CA ARG A 105 4.155 3.391 -7.864 1.00 0.00 C ATOM 1562 C ARG A 105 4.027 4.693 -7.071 1.00 0.00 C ATOM 1563 O ARG A 105 3.204 5.546 -7.400 1.00 0.00 O ATOM 1564 CB ARG A 105 4.140 3.710 -9.360 1.00 0.00 C ATOM 1565 CG ARG A 105 5.554 3.988 -9.876 1.00 0.00 C ATOM 1566 CD ARG A 105 5.612 3.882 -11.401 1.00 0.00 C ATOM 1567 NE ARG A 105 6.629 4.815 -11.935 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.929 4.936 -13.235 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.292 4.182 -14.142 1.00 0.00 N ATOM 1570 NH2 ARG A 105 7.866 5.809 -13.629 1.00 0.00 N ATOM 0 H ARG A 105 2.143 2.877 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 105 5.098 2.902 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.706 2.874 -9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.505 4.576 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.869 4.984 -9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.253 3.279 -9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.854 2.860 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.636 4.113 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 105 7.133 5.403 -11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.579 3.517 -13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.520 4.274 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.352 6.382 -12.939 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.094 5.900 -14.619 1.00 0.00 H new ATOM 1584 N ILE A 106 4.853 4.806 -6.041 1.00 0.00 N ATOM 1585 CA ILE A 106 4.842 5.990 -5.199 1.00 0.00 C ATOM 1586 C ILE A 106 6.167 6.737 -5.360 1.00 0.00 C ATOM 1587 O ILE A 106 7.146 6.427 -4.683 1.00 0.00 O ATOM 1588 CB ILE A 106 4.521 5.614 -3.751 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.284 4.716 -3.679 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.373 6.863 -2.880 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.155 4.069 -2.299 1.00 0.00 C ATOM 0 H ILE A 106 5.534 4.097 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 106 4.051 6.672 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 106 5.359 5.041 -3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.391 5.303 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.348 3.941 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.145 6.567 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.304 7.430 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.564 7.483 -3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.268 3.436 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.038 3.463 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.067 4.846 -1.540 1.00 0.00 H new ATOM 1603 N PRO A 107 6.156 7.734 -6.285 1.00 0.00 N ATOM 1604 CA PRO A 107 7.345 8.529 -6.544 1.00 0.00 C ATOM 1605 C PRO A 107 7.590 9.532 -5.415 1.00 0.00 C ATOM 1606 O PRO A 107 6.904 9.504 -4.395 1.00 0.00 O ATOM 1607 CB PRO A 107 7.088 9.195 -7.886 1.00 0.00 C ATOM 1608 CG PRO A 107 5.586 9.121 -8.107 1.00 0.00 C ATOM 1609 CD PRO A 107 5.015 8.130 -7.106 1.00 0.00 C ATOM 0 HA PRO A 107 8.254 7.928 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.432 10.229 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.626 8.684 -8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.132 10.103 -7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.365 8.804 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.231 8.585 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.571 7.271 -7.609 1.00 0.00 H new ATOM 1617 N ARG A 108 8.571 10.395 -5.636 1.00 0.00 N ATOM 1618 CA ARG A 108 8.916 11.405 -4.651 1.00 0.00 C ATOM 1619 C ARG A 108 8.184 12.714 -4.954 1.00 0.00 C ATOM 1620 O ARG A 108 7.933 13.034 -6.115 1.00 0.00 O ATOM 1621 CB ARG A 108 10.423 11.664 -4.632 1.00 0.00 C ATOM 1622 CG ARG A 108 10.929 12.064 -6.019 1.00 0.00 C ATOM 1623 CD ARG A 108 11.831 10.977 -6.608 1.00 0.00 C ATOM 1624 NE ARG A 108 12.397 11.433 -7.897 1.00 0.00 N ATOM 1625 CZ ARG A 108 11.764 11.331 -9.074 1.00 0.00 C ATOM 1626 NH1 ARG A 108 10.540 10.789 -9.132 1.00 0.00 N ATOM 1627 NH2 ARG A 108 12.355 11.772 -10.193 1.00 0.00 N ATOM 0 H ARG A 108 9.138 10.415 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 108 8.611 11.032 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.651 12.454 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.945 10.768 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.082 12.238 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.480 13.002 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.635 10.743 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.260 10.060 -6.756 1.00 0.00 H new ATOM 0 HE ARG A 108 13.327 11.851 -7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.090 10.454 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.058 10.712 -10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.287 12.185 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 108 11.873 11.694 -11.089 1.00 0.00 H new