USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 808 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 75 ASN : amide:sc= -0.0936 K(o=0.16,f=-1.3) USER MOD Set 1.2: A 92 ASN : amide:sc= 0.251 X(o=0.16,f=-0.33) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 148:sc= 0.832 (180deg=-0.0188) USER MOD Set 2.2: A 67 GLN : amide:sc= -1.05! C(o=-0.22!,f=-7.5!) USER MOD Set 3.1: A 33 SER OG : rot 160:sc= -0.198 USER MOD Set 3.2: A 37 GLN : amide:sc= -1.5 K(o=-1.7,f=-0.42) USER MOD Set 4.1: A 14 ASN : amide:sc= 0.547 X(o=0.92,f=0.95) USER MOD Set 4.2: A 32 THR OG1 : rot 160:sc= 0.368 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0.663) USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= -1.44! (180deg=-3.39!) USER MOD Single : A 31 ASN : amide:sc= -0.306 K(o=-0.31,f=-6.6!) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 39 MET CE :methyl -150:sc= -1.9 (180deg=-3.59!) USER MOD Single : A 44 MET CE :methyl 158:sc= -0.515 (180deg=-2.11) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.115) USER MOD Single : A 51 THR OG1 : rot 45:sc= 0.174 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.0255 USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -0.0748 (180deg=-0.457) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -130:sc= -0.011 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 94:sc= 0.283 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 104:sc= 0.283 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.721 K(o=-0.72,f=-4!) USER MOD Single : A 91 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.5!) USER MOD Single : A 93 SER OG : rot 50:sc= 1.05 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -100:sc= 1.18 (180deg=-0.698) USER MOD Single : A 106 ASN : amide:sc= 0.0428 X(o=0.043,f=-0.35) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 114 GLN : amide:sc= -2.34! K(o=-2.3!,f=-0.15) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 43:sc= -1.51! USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.844 -7.672 4.204 1.00 74.41 N ATOM 203 CA ASN A 14 -9.400 -6.943 5.393 1.00 72.15 C ATOM 204 C ASN A 14 -7.868 -6.848 5.425 1.00 20.02 C ATOM 205 O ASN A 14 -7.184 -7.744 5.925 1.00 54.41 O ATOM 206 CB ASN A 14 -9.927 -7.622 6.666 1.00 14.22 C ATOM 207 CG ASN A 14 -9.726 -6.766 7.904 1.00 5.55 C ATOM 208 OD1 ASN A 14 -10.576 -5.960 8.261 1.00 12.13 O ATOM 209 ND2 ASN A 14 -8.605 -6.925 8.569 1.00 23.24 N ATOM 0 HA ASN A 14 -9.805 -5.932 5.350 1.00 72.15 H new ATOM 0 HB2 ASN A 14 -10.988 -7.839 6.546 1.00 14.22 H new ATOM 0 HB3 ASN A 14 -9.420 -8.577 6.802 1.00 14.22 H new ATOM 0 HD21 ASN A 14 -8.425 -6.370 9.405 1.00 23.24 H new ATOM 0 HD22 ASN A 14 -7.914 -7.604 8.249 1.00 23.24 H new ATOM 216 N VAL A 15 -7.340 -5.769 4.860 1.00 4.31 N ATOM 217 CA VAL A 15 -5.890 -5.562 4.756 1.00 53.14 C ATOM 218 C VAL A 15 -5.447 -4.331 5.566 1.00 52.41 C ATOM 219 O VAL A 15 -6.178 -3.342 5.659 1.00 3.05 O ATOM 220 CB VAL A 15 -5.464 -5.381 3.272 1.00 44.24 C ATOM 221 CG1 VAL A 15 -3.950 -5.216 3.143 1.00 53.35 C ATOM 222 CG2 VAL A 15 -5.956 -6.554 2.424 1.00 14.30 C ATOM 0 H VAL A 15 -7.897 -5.013 4.461 1.00 4.31 H new ATOM 0 HA VAL A 15 -5.404 -6.448 5.164 1.00 53.14 H new ATOM 0 HB VAL A 15 -5.929 -4.468 2.901 1.00 44.24 H new ATOM 0 HG11 VAL A 15 -3.686 -5.092 2.093 1.00 53.35 H new ATOM 0 HG12 VAL A 15 -3.631 -4.338 3.704 1.00 53.35 H new ATOM 0 HG13 VAL A 15 -3.452 -6.101 3.540 1.00 53.35 H new ATOM 0 HG21 VAL A 15 -5.648 -6.409 1.389 1.00 14.30 H new ATOM 0 HG22 VAL A 15 -5.528 -7.482 2.803 1.00 14.30 H new ATOM 0 HG23 VAL A 15 -7.043 -6.609 2.475 1.00 14.30 H new ATOM 232 N CYS A 16 -4.254 -4.398 6.154 1.00 74.51 N ATOM 233 CA CYS A 16 -3.709 -3.279 6.937 1.00 12.45 C ATOM 234 C CYS A 16 -2.251 -2.978 6.556 1.00 65.24 C ATOM 235 O CYS A 16 -1.523 -3.857 6.077 1.00 34.45 O ATOM 236 CB CYS A 16 -3.809 -3.582 8.439 1.00 33.23 C ATOM 237 SG CYS A 16 -2.992 -5.113 8.945 1.00 41.25 S ATOM 0 H CYS A 16 -3.643 -5.213 6.106 1.00 74.51 H new ATOM 0 HA CYS A 16 -4.304 -2.395 6.708 1.00 12.45 H new ATOM 0 HB2 CYS A 16 -3.375 -2.751 8.995 1.00 33.23 H new ATOM 0 HB3 CYS A 16 -4.861 -3.636 8.718 1.00 33.23 H new ATOM 0 HG CYS A 16 -3.132 -5.276 10.227 1.00 41.25 H new ATOM 243 N ILE A 17 -1.827 -1.733 6.777 1.00 34.32 N ATOM 244 CA ILE A 17 -0.457 -1.306 6.465 1.00 51.52 C ATOM 245 C ILE A 17 0.521 -1.777 7.550 1.00 10.44 C ATOM 246 O ILE A 17 0.482 -1.296 8.686 1.00 20.23 O ATOM 247 CB ILE A 17 -0.369 0.237 6.334 1.00 55.25 C ATOM 248 CG1 ILE A 17 -1.378 0.742 5.288 1.00 2.52 C ATOM 249 CG2 ILE A 17 1.053 0.664 5.963 1.00 54.23 C ATOM 250 CD1 ILE A 17 -1.444 2.251 5.177 1.00 4.42 C ATOM 0 H ILE A 17 -2.413 -0.998 7.172 1.00 34.32 H new ATOM 0 HA ILE A 17 -0.184 -1.759 5.512 1.00 51.52 H new ATOM 0 HB ILE A 17 -0.618 0.683 7.297 1.00 55.25 H new ATOM 0 HG12 ILE A 17 -1.116 0.327 4.315 1.00 2.52 H new ATOM 0 HG13 ILE A 17 -2.368 0.362 5.540 1.00 2.52 H new ATOM 0 HG21 ILE A 17 1.096 1.750 5.875 1.00 54.23 H new ATOM 0 HG22 ILE A 17 1.746 0.335 6.738 1.00 54.23 H new ATOM 0 HG23 ILE A 17 1.332 0.212 5.011 1.00 54.23 H new ATOM 0 HD11 ILE A 17 -2.177 2.528 4.420 1.00 4.42 H new ATOM 0 HD12 ILE A 17 -1.737 2.674 6.138 1.00 4.42 H new ATOM 0 HD13 ILE A 17 -0.465 2.638 4.894 1.00 4.42 H new ATOM 262 N GLU A 18 1.397 -2.711 7.196 1.00 71.43 N ATOM 263 CA GLU A 18 2.313 -3.321 8.163 1.00 60.44 C ATOM 264 C GLU A 18 3.524 -2.420 8.450 1.00 73.44 C ATOM 265 O GLU A 18 3.785 -2.065 9.603 1.00 45.40 O ATOM 266 CB GLU A 18 2.774 -4.693 7.652 1.00 54.34 C ATOM 267 CG GLU A 18 3.663 -5.455 8.628 1.00 13.11 C ATOM 268 CD GLU A 18 3.994 -6.853 8.136 1.00 3.02 C ATOM 269 OE1 GLU A 18 4.953 -7.001 7.359 1.00 71.33 O ATOM 270 OE2 GLU A 18 3.284 -7.807 8.519 1.00 52.30 O ATOM 0 H GLU A 18 1.495 -3.065 6.245 1.00 71.43 H new ATOM 0 HA GLU A 18 1.774 -3.448 9.102 1.00 60.44 H new ATOM 0 HB2 GLU A 18 1.896 -5.299 7.428 1.00 54.34 H new ATOM 0 HB3 GLU A 18 3.315 -4.557 6.715 1.00 54.34 H new ATOM 0 HG2 GLU A 18 4.587 -4.899 8.784 1.00 13.11 H new ATOM 0 HG3 GLU A 18 3.164 -5.521 9.595 1.00 13.11 H new ATOM 277 N GLU A 19 4.260 -2.045 7.404 1.00 51.25 N ATOM 278 CA GLU A 19 5.443 -1.193 7.574 1.00 51.10 C ATOM 279 C GLU A 19 5.770 -0.384 6.306 1.00 11.13 C ATOM 280 O GLU A 19 5.944 -0.941 5.219 1.00 5.41 O ATOM 281 CB GLU A 19 6.653 -2.049 7.981 1.00 32.34 C ATOM 282 CG GLU A 19 7.924 -1.245 8.242 1.00 2.25 C ATOM 283 CD GLU A 19 9.036 -2.090 8.843 1.00 14.24 C ATOM 284 OE1 GLU A 19 9.821 -2.695 8.080 1.00 3.32 O ATOM 285 OE2 GLU A 19 9.122 -2.162 10.088 1.00 74.24 O ATOM 0 H GLU A 19 4.064 -2.312 6.439 1.00 51.25 H new ATOM 0 HA GLU A 19 5.216 -0.477 8.364 1.00 51.10 H new ATOM 0 HB2 GLU A 19 6.401 -2.612 8.880 1.00 32.34 H new ATOM 0 HB3 GLU A 19 6.851 -2.777 7.194 1.00 32.34 H new ATOM 0 HG2 GLU A 19 8.271 -0.806 7.306 1.00 2.25 H new ATOM 0 HG3 GLU A 19 7.695 -0.419 8.916 1.00 2.25 H new ATOM 292 N ILE A 20 5.835 0.936 6.460 1.00 45.34 N ATOM 293 CA ILE A 20 6.274 1.837 5.387 1.00 24.23 C ATOM 294 C ILE A 20 7.800 2.033 5.434 1.00 31.43 C ATOM 295 O ILE A 20 8.384 2.145 6.516 1.00 52.35 O ATOM 296 CB ILE A 20 5.585 3.224 5.510 1.00 13.42 C ATOM 297 CG1 ILE A 20 4.053 3.076 5.449 1.00 14.32 C ATOM 298 CG2 ILE A 20 6.078 4.178 4.419 1.00 71.13 C ATOM 299 CD1 ILE A 20 3.300 4.377 5.649 1.00 54.24 C ATOM 0 H ILE A 20 5.587 1.414 7.326 1.00 45.34 H new ATOM 0 HA ILE A 20 5.993 1.378 4.439 1.00 24.23 H new ATOM 0 HB ILE A 20 5.852 3.649 6.477 1.00 13.42 H new ATOM 0 HG12 ILE A 20 3.777 2.653 4.483 1.00 14.32 H new ATOM 0 HG13 ILE A 20 3.736 2.364 6.211 1.00 14.32 H new ATOM 0 HG21 ILE A 20 5.581 5.142 4.527 1.00 71.13 H new ATOM 0 HG22 ILE A 20 7.156 4.313 4.513 1.00 71.13 H new ATOM 0 HG23 ILE A 20 5.849 3.759 3.439 1.00 71.13 H new ATOM 0 HD11 ILE A 20 2.228 4.189 5.592 1.00 54.24 H new ATOM 0 HD12 ILE A 20 3.544 4.792 6.627 1.00 54.24 H new ATOM 0 HD13 ILE A 20 3.586 5.086 4.872 1.00 54.24 H new ATOM 311 N ASP A 21 8.445 2.072 4.269 1.00 14.12 N ATOM 312 CA ASP A 21 9.893 2.296 4.203 1.00 71.11 C ATOM 313 C ASP A 21 10.246 3.778 4.438 1.00 40.22 C ATOM 314 O ASP A 21 9.533 4.682 3.992 1.00 11.15 O ATOM 315 CB ASP A 21 10.443 1.823 2.856 1.00 33.30 C ATOM 316 CG ASP A 21 11.938 2.040 2.744 1.00 64.44 C ATOM 317 OD1 ASP A 21 12.701 1.246 3.318 1.00 73.11 O ATOM 318 OD2 ASP A 21 12.349 3.015 2.093 1.00 10.51 O ATOM 0 H ASP A 21 7.994 1.953 3.362 1.00 14.12 H new ATOM 0 HA ASP A 21 10.358 1.714 4.999 1.00 71.11 H new ATOM 0 HB2 ASP A 21 10.220 0.764 2.725 1.00 33.30 H new ATOM 0 HB3 ASP A 21 9.938 2.357 2.051 1.00 33.30 H new ATOM 323 N VAL A 22 11.360 4.016 5.130 1.00 24.35 N ATOM 324 CA VAL A 22 11.781 5.377 5.496 1.00 73.11 C ATOM 325 C VAL A 22 12.600 6.064 4.381 1.00 72.43 C ATOM 326 O VAL A 22 12.624 7.293 4.285 1.00 64.13 O ATOM 327 CB VAL A 22 12.607 5.364 6.812 1.00 54.13 C ATOM 328 CG1 VAL A 22 13.895 4.562 6.644 1.00 3.25 C ATOM 329 CG2 VAL A 22 12.910 6.785 7.285 1.00 54.02 C ATOM 0 H VAL A 22 11.993 3.283 5.452 1.00 24.35 H new ATOM 0 HA VAL A 22 10.867 5.953 5.642 1.00 73.11 H new ATOM 0 HB VAL A 22 12.004 4.876 7.577 1.00 54.13 H new ATOM 0 HG11 VAL A 22 14.453 4.570 7.580 1.00 3.25 H new ATOM 0 HG12 VAL A 22 13.651 3.534 6.375 1.00 3.25 H new ATOM 0 HG13 VAL A 22 14.502 5.009 5.856 1.00 3.25 H new ATOM 0 HG21 VAL A 22 13.489 6.746 8.208 1.00 54.02 H new ATOM 0 HG22 VAL A 22 13.482 7.309 6.520 1.00 54.02 H new ATOM 0 HG23 VAL A 22 11.975 7.315 7.466 1.00 54.02 H new ATOM 339 N ASP A 23 13.262 5.271 3.539 1.00 52.00 N ATOM 340 CA ASP A 23 14.085 5.813 2.447 1.00 44.53 C ATOM 341 C ASP A 23 13.212 6.204 1.239 1.00 42.24 C ATOM 342 O ASP A 23 13.613 7.011 0.395 1.00 21.42 O ATOM 343 CB ASP A 23 15.145 4.778 2.037 1.00 22.21 C ATOM 344 CG ASP A 23 16.096 5.297 0.971 1.00 54.11 C ATOM 345 OD1 ASP A 23 17.003 6.085 1.311 1.00 71.00 O ATOM 346 OD2 ASP A 23 15.951 4.916 -0.212 1.00 15.12 O ATOM 0 H ASP A 23 13.248 4.252 3.588 1.00 52.00 H new ATOM 0 HA ASP A 23 14.585 6.715 2.800 1.00 44.53 H new ATOM 0 HB2 ASP A 23 15.718 4.484 2.916 1.00 22.21 H new ATOM 0 HB3 ASP A 23 14.647 3.882 1.667 1.00 22.21 H new ATOM 351 N GLY A 24 12.017 5.621 1.175 1.00 35.54 N ATOM 352 CA GLY A 24 11.075 5.919 0.102 1.00 53.12 C ATOM 353 C GLY A 24 11.004 4.825 -0.958 1.00 20.10 C ATOM 354 O GLY A 24 10.550 5.062 -2.081 1.00 55.01 O ATOM 0 H GLY A 24 11.679 4.939 1.854 1.00 35.54 H new ATOM 0 HA2 GLY A 24 10.083 6.067 0.529 1.00 53.12 H new ATOM 0 HA3 GLY A 24 11.361 6.858 -0.373 1.00 53.12 H new ATOM 358 N LYS A 25 11.440 3.622 -0.596 1.00 5.32 N ATOM 359 CA LYS A 25 11.505 2.499 -1.538 1.00 5.14 C ATOM 360 C LYS A 25 10.134 1.831 -1.750 1.00 0.44 C ATOM 361 O LYS A 25 9.719 1.601 -2.891 1.00 74.32 O ATOM 362 CB LYS A 25 12.511 1.451 -1.036 1.00 23.30 C ATOM 363 CG LYS A 25 13.885 2.019 -0.686 1.00 11.23 C ATOM 364 CD LYS A 25 14.841 0.927 -0.204 1.00 63.04 C ATOM 365 CE LYS A 25 16.137 1.508 0.352 1.00 44.11 C ATOM 366 NZ LYS A 25 16.826 2.384 -0.629 1.00 40.00 N ATOM 0 H LYS A 25 11.756 3.395 0.347 1.00 5.32 H new ATOM 0 HA LYS A 25 11.828 2.903 -2.497 1.00 5.14 H new ATOM 0 HB2 LYS A 25 12.098 0.960 -0.155 1.00 23.30 H new ATOM 0 HB3 LYS A 25 12.632 0.684 -1.801 1.00 23.30 H new ATOM 0 HG2 LYS A 25 14.308 2.513 -1.560 1.00 11.23 H new ATOM 0 HG3 LYS A 25 13.779 2.778 0.089 1.00 11.23 H new ATOM 0 HD2 LYS A 25 14.351 0.330 0.566 1.00 63.04 H new ATOM 0 HD3 LYS A 25 15.070 0.255 -1.031 1.00 63.04 H new ATOM 0 HE2 LYS A 25 15.919 2.078 1.255 1.00 44.11 H new ATOM 0 HE3 LYS A 25 16.803 0.695 0.641 1.00 44.11 H new ATOM 0 HZ1 LYS A 25 17.788 2.591 -0.293 1.00 40.00 H new ATOM 0 HZ2 LYS A 25 16.877 1.902 -1.549 1.00 40.00 H new ATOM 0 HZ3 LYS A 25 16.296 3.273 -0.732 1.00 40.00 H new ATOM 380 N PHE A 26 9.430 1.519 -0.656 1.00 60.21 N ATOM 381 CA PHE A 26 8.196 0.720 -0.745 1.00 2.31 C ATOM 382 C PHE A 26 7.288 0.851 0.495 1.00 63.43 C ATOM 383 O PHE A 26 7.648 1.474 1.495 1.00 23.01 O ATOM 384 CB PHE A 26 8.562 -0.761 -0.949 1.00 22.54 C ATOM 385 CG PHE A 26 9.379 -1.350 0.182 1.00 45.33 C ATOM 386 CD1 PHE A 26 8.759 -1.894 1.302 1.00 42.35 C ATOM 387 CD2 PHE A 26 10.765 -1.356 0.127 1.00 30.13 C ATOM 388 CE1 PHE A 26 9.503 -2.427 2.336 1.00 33.40 C ATOM 389 CE2 PHE A 26 11.514 -1.889 1.160 1.00 24.31 C ATOM 390 CZ PHE A 26 10.882 -2.425 2.265 1.00 61.02 C ATOM 0 H PHE A 26 9.686 1.801 0.290 1.00 60.21 H new ATOM 0 HA PHE A 26 7.632 1.108 -1.593 1.00 2.31 H new ATOM 0 HB2 PHE A 26 7.645 -1.340 -1.062 1.00 22.54 H new ATOM 0 HB3 PHE A 26 9.120 -0.863 -1.880 1.00 22.54 H new ATOM 0 HD1 PHE A 26 7.681 -1.900 1.364 1.00 42.35 H new ATOM 0 HD2 PHE A 26 11.266 -0.939 -0.734 1.00 30.13 H new ATOM 0 HE1 PHE A 26 9.007 -2.845 3.199 1.00 33.40 H new ATOM 0 HE2 PHE A 26 12.592 -1.886 1.103 1.00 24.31 H new ATOM 0 HZ PHE A 26 11.466 -2.842 3.072 1.00 61.02 H new ATOM 400 N ILE A 27 6.094 0.256 0.399 1.00 64.50 N ATOM 401 CA ILE A 27 5.173 0.100 1.539 1.00 24.04 C ATOM 402 C ILE A 27 4.627 -1.339 1.575 1.00 61.05 C ATOM 403 O ILE A 27 4.018 -1.794 0.610 1.00 4.11 O ATOM 404 CB ILE A 27 3.974 1.086 1.455 1.00 24.31 C ATOM 405 CG1 ILE A 27 4.470 2.542 1.430 1.00 1.02 C ATOM 406 CG2 ILE A 27 3.011 0.863 2.625 1.00 43.34 C ATOM 407 CD1 ILE A 27 3.359 3.572 1.377 1.00 42.42 C ATOM 0 H ILE A 27 5.735 -0.133 -0.473 1.00 64.50 H new ATOM 0 HA ILE A 27 5.738 0.319 2.445 1.00 24.04 H new ATOM 0 HB ILE A 27 3.436 0.893 0.527 1.00 24.31 H new ATOM 0 HG12 ILE A 27 5.077 2.723 2.317 1.00 1.02 H new ATOM 0 HG13 ILE A 27 5.120 2.679 0.565 1.00 1.02 H new ATOM 0 HG21 ILE A 27 2.178 1.562 2.549 1.00 43.34 H new ATOM 0 HG22 ILE A 27 2.631 -0.158 2.594 1.00 43.34 H new ATOM 0 HG23 ILE A 27 3.537 1.026 3.566 1.00 43.34 H new ATOM 0 HD11 ILE A 27 3.791 4.573 1.362 1.00 42.42 H new ATOM 0 HD12 ILE A 27 2.764 3.420 0.476 1.00 42.42 H new ATOM 0 HD13 ILE A 27 2.722 3.465 2.255 1.00 42.42 H new ATOM 419 N ARG A 28 4.844 -2.065 2.675 1.00 23.40 N ATOM 420 CA ARG A 28 4.411 -3.471 2.751 1.00 53.42 C ATOM 421 C ARG A 28 3.106 -3.636 3.557 1.00 30.44 C ATOM 422 O ARG A 28 3.013 -3.226 4.719 1.00 63.35 O ATOM 423 CB ARG A 28 5.525 -4.349 3.345 1.00 35.21 C ATOM 424 CG ARG A 28 5.288 -5.846 3.141 1.00 35.03 C ATOM 425 CD ARG A 28 6.465 -6.690 3.621 1.00 2.24 C ATOM 426 NE ARG A 28 6.565 -6.730 5.076 1.00 52.35 N ATOM 427 CZ ARG A 28 7.654 -7.022 5.730 1.00 3.10 C ATOM 428 NH1 ARG A 28 8.765 -7.251 5.104 1.00 61.13 N ATOM 429 NH2 ARG A 28 7.624 -7.086 7.016 1.00 43.14 N ATOM 0 H ARG A 28 5.308 -1.715 3.513 1.00 23.40 H new ATOM 0 HA ARG A 28 4.206 -3.800 1.732 1.00 53.42 H new ATOM 0 HB2 ARG A 28 6.477 -4.073 2.891 1.00 35.21 H new ATOM 0 HB3 ARG A 28 5.610 -4.144 4.412 1.00 35.21 H new ATOM 0 HG2 ARG A 28 4.387 -6.145 3.677 1.00 35.03 H new ATOM 0 HG3 ARG A 28 5.110 -6.043 2.084 1.00 35.03 H new ATOM 0 HD2 ARG A 28 6.360 -7.705 3.239 1.00 2.24 H new ATOM 0 HD3 ARG A 28 7.390 -6.288 3.207 1.00 2.24 H new ATOM 0 HE ARG A 28 5.727 -6.515 5.617 1.00 52.35 H new ATOM 0 HH11 ARG A 28 8.796 -7.204 4.086 1.00 61.13 H new ATOM 0 HH12 ARG A 28 9.609 -7.478 5.630 1.00 61.13 H new ATOM 0 HH21 ARG A 28 6.752 -6.909 7.515 1.00 43.14 H new ATOM 0 HH22 ARG A 28 8.472 -7.314 7.535 1.00 43.14 H new ATOM 443 N LEU A 29 2.095 -4.236 2.920 1.00 34.43 N ATOM 444 CA LEU A 29 0.801 -4.501 3.564 1.00 4.12 C ATOM 445 C LEU A 29 0.597 -6.009 3.788 1.00 63.23 C ATOM 446 O LEU A 29 1.385 -6.830 3.317 1.00 2.32 O ATOM 447 CB LEU A 29 -0.361 -3.944 2.719 1.00 11.11 C ATOM 448 CG LEU A 29 -0.411 -2.409 2.554 1.00 53.45 C ATOM 449 CD1 LEU A 29 0.685 -1.910 1.614 1.00 40.24 C ATOM 450 CD2 LEU A 29 -1.791 -1.964 2.070 1.00 60.11 C ATOM 0 H LEU A 29 2.148 -4.550 1.951 1.00 34.43 H new ATOM 0 HA LEU A 29 0.808 -3.997 4.530 1.00 4.12 H new ATOM 0 HB2 LEU A 29 -0.309 -4.393 1.727 1.00 11.11 H new ATOM 0 HB3 LEU A 29 -1.299 -4.271 3.169 1.00 11.11 H new ATOM 0 HG LEU A 29 -0.230 -1.963 3.532 1.00 53.45 H new ATOM 0 HD11 LEU A 29 0.619 -0.826 1.522 1.00 40.24 H new ATOM 0 HD12 LEU A 29 1.661 -2.181 2.016 1.00 40.24 H new ATOM 0 HD13 LEU A 29 0.558 -2.366 0.632 1.00 40.24 H new ATOM 0 HD21 LEU A 29 -1.806 -0.880 1.960 1.00 60.11 H new ATOM 0 HD22 LEU A 29 -2.007 -2.429 1.108 1.00 60.11 H new ATOM 0 HD23 LEU A 29 -2.546 -2.265 2.796 1.00 60.11 H new ATOM 462 N LYS A 30 -0.468 -6.371 4.504 1.00 72.25 N ATOM 463 CA LYS A 30 -0.768 -7.783 4.777 1.00 31.13 C ATOM 464 C LYS A 30 -2.276 -8.030 4.940 1.00 10.53 C ATOM 465 O LYS A 30 -2.983 -7.246 5.578 1.00 21.35 O ATOM 466 CB LYS A 30 -0.029 -8.245 6.044 1.00 4.11 C ATOM 467 CG LYS A 30 -0.322 -9.690 6.448 1.00 3.32 C ATOM 468 CD LYS A 30 0.437 -10.115 7.712 1.00 11.51 C ATOM 469 CE LYS A 30 0.009 -9.332 8.955 1.00 42.42 C ATOM 470 NZ LYS A 30 0.531 -7.937 8.971 1.00 14.14 N ATOM 0 H LYS A 30 -1.136 -5.713 4.905 1.00 72.25 H new ATOM 0 HA LYS A 30 -0.426 -8.360 3.918 1.00 31.13 H new ATOM 0 HB2 LYS A 30 1.044 -8.134 5.886 1.00 4.11 H new ATOM 0 HB3 LYS A 30 -0.300 -7.587 6.869 1.00 4.11 H new ATOM 0 HG2 LYS A 30 -1.393 -9.807 6.615 1.00 3.32 H new ATOM 0 HG3 LYS A 30 -0.053 -10.355 5.627 1.00 3.32 H new ATOM 0 HD2 LYS A 30 0.276 -11.179 7.886 1.00 11.51 H new ATOM 0 HD3 LYS A 30 1.506 -9.976 7.552 1.00 11.51 H new ATOM 0 HE2 LYS A 30 -1.080 -9.308 9.006 1.00 42.42 H new ATOM 0 HE3 LYS A 30 0.358 -9.855 9.845 1.00 42.42 H new ATOM 0 HZ1 LYS A 30 0.877 -7.707 9.924 1.00 14.14 H new ATOM 0 HZ2 LYS A 30 1.312 -7.851 8.289 1.00 14.14 H new ATOM 0 HZ3 LYS A 30 -0.231 -7.278 8.711 1.00 14.14 H new ATOM 484 N ASN A 31 -2.758 -9.130 4.358 1.00 14.05 N ATOM 485 CA ASN A 31 -4.157 -9.548 4.516 1.00 13.40 C ATOM 486 C ASN A 31 -4.374 -10.236 5.872 1.00 51.21 C ATOM 487 O ASN A 31 -3.837 -11.314 6.123 1.00 3.50 O ATOM 488 CB ASN A 31 -4.558 -10.502 3.383 1.00 44.01 C ATOM 489 CG ASN A 31 -5.976 -11.036 3.527 1.00 3.13 C ATOM 490 OD1 ASN A 31 -6.849 -10.386 4.091 1.00 21.40 O ATOM 491 ND2 ASN A 31 -6.216 -12.224 3.008 1.00 31.33 N ATOM 0 H ASN A 31 -2.200 -9.750 3.771 1.00 14.05 H new ATOM 0 HA ASN A 31 -4.782 -8.656 4.474 1.00 13.40 H new ATOM 0 HB2 ASN A 31 -4.467 -9.983 2.429 1.00 44.01 H new ATOM 0 HB3 ASN A 31 -3.861 -11.340 3.358 1.00 44.01 H new ATOM 0 HD21 ASN A 31 -7.151 -12.628 3.069 1.00 31.33 H new ATOM 0 HD22 ASN A 31 -5.467 -12.739 2.545 1.00 31.33 H new ATOM 498 N THR A 32 -5.170 -9.611 6.734 1.00 13.44 N ATOM 499 CA THR A 32 -5.463 -10.159 8.065 1.00 3.31 C ATOM 500 C THR A 32 -6.856 -10.802 8.125 1.00 4.23 C ATOM 501 O THR A 32 -7.364 -11.113 9.204 1.00 54.01 O ATOM 502 CB THR A 32 -5.355 -9.069 9.161 1.00 1.30 C ATOM 503 OG1 THR A 32 -6.173 -7.938 8.820 1.00 74.14 O ATOM 504 CG2 THR A 32 -3.909 -8.614 9.338 1.00 22.04 C ATOM 0 H THR A 32 -5.628 -8.721 6.539 1.00 13.44 H new ATOM 0 HA THR A 32 -4.715 -10.930 8.252 1.00 3.31 H new ATOM 0 HB THR A 32 -5.704 -9.501 10.099 1.00 1.30 H new ATOM 0 HG1 THR A 32 -6.357 -7.413 9.626 1.00 74.14 H new ATOM 0 HG21 THR A 32 -3.861 -7.849 10.113 1.00 22.04 H new ATOM 0 HG22 THR A 32 -3.293 -9.465 9.629 1.00 22.04 H new ATOM 0 HG23 THR A 32 -3.539 -8.203 8.399 1.00 22.04 H new ATOM 512 N SER A 33 -7.467 -11.012 6.959 1.00 34.32 N ATOM 513 CA SER A 33 -8.774 -11.687 6.878 1.00 11.12 C ATOM 514 C SER A 33 -8.631 -13.207 7.038 1.00 33.33 C ATOM 515 O SER A 33 -7.541 -13.759 6.904 1.00 4.43 O ATOM 516 CB SER A 33 -9.463 -11.378 5.543 1.00 12.31 C ATOM 517 OG SER A 33 -10.711 -12.050 5.433 1.00 53.51 O ATOM 0 H SER A 33 -7.084 -10.728 6.057 1.00 34.32 H new ATOM 0 HA SER A 33 -9.385 -11.307 7.696 1.00 11.12 H new ATOM 0 HB2 SER A 33 -9.618 -10.303 5.453 1.00 12.31 H new ATOM 0 HB3 SER A 33 -8.814 -11.677 4.720 1.00 12.31 H new ATOM 0 HG SER A 33 -11.263 -11.606 4.755 1.00 53.51 H new ATOM 523 N GLU A 34 -9.750 -13.879 7.299 1.00 63.22 N ATOM 524 CA GLU A 34 -9.754 -15.328 7.551 1.00 22.31 C ATOM 525 C GLU A 34 -9.834 -16.145 6.248 1.00 70.33 C ATOM 526 O GLU A 34 -9.952 -17.373 6.280 1.00 73.42 O ATOM 527 CB GLU A 34 -10.939 -15.692 8.461 1.00 53.21 C ATOM 528 CG GLU A 34 -10.946 -14.952 9.797 1.00 31.22 C ATOM 529 CD GLU A 34 -12.147 -15.307 10.663 1.00 71.20 C ATOM 530 OE1 GLU A 34 -13.215 -14.682 10.497 1.00 74.53 O ATOM 531 OE2 GLU A 34 -12.031 -16.213 11.517 1.00 15.11 O ATOM 0 H GLU A 34 -10.672 -13.446 7.343 1.00 63.22 H new ATOM 0 HA GLU A 34 -8.812 -15.578 8.040 1.00 22.31 H new ATOM 0 HB2 GLU A 34 -11.868 -15.477 7.933 1.00 53.21 H new ATOM 0 HB3 GLU A 34 -10.921 -16.765 8.652 1.00 53.21 H new ATOM 0 HG2 GLU A 34 -10.030 -15.185 10.341 1.00 31.22 H new ATOM 0 HG3 GLU A 34 -10.942 -13.878 9.612 1.00 31.22 H new ATOM 538 N GLN A 35 -9.763 -15.462 5.108 1.00 40.03 N ATOM 539 CA GLN A 35 -9.883 -16.115 3.799 1.00 41.33 C ATOM 540 C GLN A 35 -9.008 -15.418 2.743 1.00 51.11 C ATOM 541 O GLN A 35 -8.613 -14.261 2.916 1.00 72.45 O ATOM 542 CB GLN A 35 -11.355 -16.095 3.352 1.00 73.35 C ATOM 543 CG GLN A 35 -11.613 -16.803 2.023 1.00 63.34 C ATOM 544 CD GLN A 35 -13.054 -16.682 1.557 1.00 14.02 C ATOM 545 OE1 GLN A 35 -13.731 -15.695 1.834 1.00 70.21 O ATOM 546 NE2 GLN A 35 -13.531 -17.676 0.835 1.00 25.33 N ATOM 0 H GLN A 35 -9.623 -14.453 5.060 1.00 40.03 H new ATOM 0 HA GLN A 35 -9.537 -17.144 3.895 1.00 41.33 H new ATOM 0 HB2 GLN A 35 -11.965 -16.563 4.125 1.00 73.35 H new ATOM 0 HB3 GLN A 35 -11.684 -15.059 3.270 1.00 73.35 H new ATOM 0 HG2 GLN A 35 -10.954 -16.386 1.261 1.00 63.34 H new ATOM 0 HG3 GLN A 35 -11.357 -17.858 2.123 1.00 63.34 H new ATOM 0 HE21 GLN A 35 -12.942 -18.481 0.623 1.00 25.33 H new ATOM 0 HE22 GLN A 35 -14.489 -17.640 0.488 1.00 25.33 H new ATOM 555 N ASP A 36 -8.703 -16.128 1.656 1.00 1.43 N ATOM 556 CA ASP A 36 -7.975 -15.547 0.523 1.00 54.40 C ATOM 557 C ASP A 36 -8.806 -14.426 -0.132 1.00 0.13 C ATOM 558 O ASP A 36 -9.888 -14.674 -0.672 1.00 1.13 O ATOM 559 CB ASP A 36 -7.641 -16.637 -0.507 1.00 31.30 C ATOM 560 CG ASP A 36 -6.931 -17.831 0.112 1.00 53.32 C ATOM 561 OD1 ASP A 36 -6.168 -17.645 1.084 1.00 32.25 O ATOM 562 OD2 ASP A 36 -7.132 -18.967 -0.372 1.00 71.22 O ATOM 0 H ASP A 36 -8.949 -17.110 1.535 1.00 1.43 H new ATOM 0 HA ASP A 36 -7.044 -15.116 0.891 1.00 54.40 H new ATOM 0 HB2 ASP A 36 -8.561 -16.974 -0.985 1.00 31.30 H new ATOM 0 HB3 ASP A 36 -7.013 -16.212 -1.290 1.00 31.30 H new ATOM 567 N GLN A 37 -8.305 -13.193 -0.065 1.00 22.42 N ATOM 568 CA GLN A 37 -9.070 -12.016 -0.502 1.00 1.20 C ATOM 569 C GLN A 37 -8.568 -11.458 -1.847 1.00 51.34 C ATOM 570 O GLN A 37 -7.373 -11.517 -2.156 1.00 64.13 O ATOM 571 CB GLN A 37 -8.998 -10.922 0.578 1.00 11.01 C ATOM 572 CG GLN A 37 -9.397 -11.403 1.971 1.00 42.44 C ATOM 573 CD GLN A 37 -10.855 -11.830 2.069 1.00 4.12 C ATOM 574 OE1 GLN A 37 -11.721 -11.044 2.429 1.00 73.51 O ATOM 575 NE2 GLN A 37 -11.138 -13.073 1.744 1.00 23.14 N ATOM 0 H GLN A 37 -7.372 -12.979 0.287 1.00 22.42 H new ATOM 0 HA GLN A 37 -10.103 -12.331 -0.648 1.00 1.20 H new ATOM 0 HB2 GLN A 37 -7.982 -10.529 0.617 1.00 11.01 H new ATOM 0 HB3 GLN A 37 -9.648 -10.096 0.289 1.00 11.01 H new ATOM 0 HG2 GLN A 37 -8.761 -12.242 2.254 1.00 42.44 H new ATOM 0 HG3 GLN A 37 -9.211 -10.605 2.690 1.00 42.44 H new ATOM 0 HE21 GLN A 37 -10.394 -13.705 1.448 1.00 23.14 H new ATOM 0 HE22 GLN A 37 -12.101 -13.405 1.788 1.00 23.14 H new ATOM 584 N PRO A 38 -9.482 -10.917 -2.677 1.00 32.54 N ATOM 585 CA PRO A 38 -9.117 -10.275 -3.949 1.00 2.42 C ATOM 586 C PRO A 38 -8.438 -8.906 -3.745 1.00 12.02 C ATOM 587 O PRO A 38 -9.096 -7.905 -3.452 1.00 13.23 O ATOM 588 CB PRO A 38 -10.468 -10.114 -4.684 1.00 13.11 C ATOM 589 CG PRO A 38 -11.462 -10.897 -3.879 1.00 42.01 C ATOM 590 CD PRO A 38 -10.938 -10.909 -2.471 1.00 54.20 C ATOM 0 HA PRO A 38 -8.391 -10.867 -4.505 1.00 2.42 H new ATOM 0 HB2 PRO A 38 -10.756 -9.065 -4.749 1.00 13.11 H new ATOM 0 HB3 PRO A 38 -10.406 -10.491 -5.705 1.00 13.11 H new ATOM 0 HG2 PRO A 38 -12.449 -10.437 -3.924 1.00 42.01 H new ATOM 0 HG3 PRO A 38 -11.565 -11.911 -4.266 1.00 42.01 H new ATOM 0 HD2 PRO A 38 -11.264 -10.034 -1.909 1.00 54.20 H new ATOM 0 HD3 PRO A 38 -11.275 -11.786 -1.919 1.00 54.20 H new ATOM 598 N MET A 39 -7.113 -8.872 -3.902 1.00 61.14 N ATOM 599 CA MET A 39 -6.333 -7.637 -3.721 1.00 45.43 C ATOM 600 C MET A 39 -6.787 -6.534 -4.697 1.00 71.33 C ATOM 601 O MET A 39 -6.694 -5.342 -4.402 1.00 44.54 O ATOM 602 CB MET A 39 -4.837 -7.931 -3.923 1.00 41.24 C ATOM 603 CG MET A 39 -3.901 -6.743 -3.681 1.00 43.12 C ATOM 604 SD MET A 39 -3.683 -6.329 -1.929 1.00 44.30 S ATOM 605 CE MET A 39 -5.174 -5.405 -1.555 1.00 70.32 C ATOM 0 H MET A 39 -6.553 -9.686 -4.155 1.00 61.14 H new ATOM 0 HA MET A 39 -6.502 -7.277 -2.706 1.00 45.43 H new ATOM 0 HB2 MET A 39 -4.549 -8.742 -3.254 1.00 41.24 H new ATOM 0 HB3 MET A 39 -4.688 -8.289 -4.942 1.00 41.24 H new ATOM 0 HG2 MET A 39 -2.927 -6.965 -4.116 1.00 43.12 H new ATOM 0 HG3 MET A 39 -4.293 -5.871 -4.205 1.00 43.12 H new ATOM 0 HE1 MET A 39 -4.964 -4.676 -0.772 1.00 70.32 H new ATOM 0 HE2 MET A 39 -5.515 -4.887 -2.451 1.00 70.32 H new ATOM 0 HE3 MET A 39 -5.950 -6.090 -1.214 1.00 70.32 H new ATOM 615 N GLY A 40 -7.302 -6.946 -5.855 1.00 13.14 N ATOM 616 CA GLY A 40 -7.734 -5.996 -6.880 1.00 60.04 C ATOM 617 C GLY A 40 -9.020 -5.237 -6.542 1.00 33.22 C ATOM 618 O GLY A 40 -9.531 -4.482 -7.371 1.00 73.12 O ATOM 0 H GLY A 40 -7.430 -7.926 -6.106 1.00 13.14 H new ATOM 0 HA2 GLY A 40 -6.935 -5.274 -7.048 1.00 60.04 H new ATOM 0 HA3 GLY A 40 -7.880 -6.534 -7.817 1.00 60.04 H new ATOM 622 N GLY A 41 -9.548 -5.431 -5.339 1.00 2.11 N ATOM 623 CA GLY A 41 -10.743 -4.701 -4.916 1.00 2.34 C ATOM 624 C GLY A 41 -10.423 -3.440 -4.108 1.00 5.32 C ATOM 625 O GLY A 41 -11.323 -2.805 -3.551 1.00 42.13 O ATOM 0 H GLY A 41 -9.175 -6.079 -4.645 1.00 2.11 H new ATOM 0 HA2 GLY A 41 -11.322 -4.424 -5.797 1.00 2.34 H new ATOM 0 HA3 GLY A 41 -11.371 -5.360 -4.316 1.00 2.34 H new ATOM 629 N TRP A 42 -9.138 -3.076 -4.052 1.00 25.12 N ATOM 630 CA TRP A 42 -8.671 -1.933 -3.245 1.00 13.34 C ATOM 631 C TRP A 42 -8.007 -0.835 -4.101 1.00 53.03 C ATOM 632 O TRP A 42 -7.756 -1.018 -5.298 1.00 74.53 O ATOM 633 CB TRP A 42 -7.671 -2.427 -2.182 1.00 43.14 C ATOM 634 CG TRP A 42 -8.284 -3.292 -1.114 1.00 43.41 C ATOM 635 CD1 TRP A 42 -8.952 -4.471 -1.286 1.00 30.05 C ATOM 636 CD2 TRP A 42 -8.262 -3.046 0.297 1.00 41.13 C ATOM 637 NE1 TRP A 42 -9.364 -4.961 -0.070 1.00 10.33 N ATOM 638 CE2 TRP A 42 -8.946 -4.107 0.918 1.00 22.41 C ATOM 639 CE3 TRP A 42 -7.736 -2.027 1.089 1.00 60.31 C ATOM 640 CZ2 TRP A 42 -9.111 -4.178 2.300 1.00 4.11 C ATOM 641 CZ3 TRP A 42 -7.896 -2.098 2.458 1.00 33.51 C ATOM 642 CH2 TRP A 42 -8.580 -3.167 3.052 1.00 61.40 C ATOM 0 H TRP A 42 -8.395 -3.557 -4.558 1.00 25.12 H new ATOM 0 HA TRP A 42 -9.548 -1.492 -2.771 1.00 13.34 H new ATOM 0 HB2 TRP A 42 -6.878 -2.988 -2.678 1.00 43.14 H new ATOM 0 HB3 TRP A 42 -7.203 -1.563 -1.710 1.00 43.14 H new ATOM 0 HD1 TRP A 42 -9.130 -4.948 -2.238 1.00 30.05 H new ATOM 0 HE1 TRP A 42 -9.894 -5.820 0.074 1.00 10.33 H new ATOM 0 HE3 TRP A 42 -7.212 -1.196 0.639 1.00 60.31 H new ATOM 0 HZ2 TRP A 42 -9.638 -5.001 2.760 1.00 4.11 H new ATOM 0 HZ3 TRP A 42 -7.487 -1.317 3.082 1.00 33.51 H new ATOM 0 HH2 TRP A 42 -8.690 -3.193 4.126 1.00 61.40 H new ATOM 653 N GLU A 43 -7.734 0.306 -3.462 1.00 30.21 N ATOM 654 CA GLU A 43 -7.007 1.422 -4.081 1.00 1.45 C ATOM 655 C GLU A 43 -6.260 2.250 -3.014 1.00 62.52 C ATOM 656 O GLU A 43 -6.835 2.634 -1.991 1.00 2.44 O ATOM 657 CB GLU A 43 -7.963 2.329 -4.874 1.00 72.51 C ATOM 658 CG GLU A 43 -7.283 3.562 -5.467 1.00 14.10 C ATOM 659 CD GLU A 43 -8.195 4.381 -6.367 1.00 63.34 C ATOM 660 OE1 GLU A 43 -8.990 5.190 -5.844 1.00 71.21 O ATOM 661 OE2 GLU A 43 -8.113 4.229 -7.603 1.00 34.11 O ATOM 0 H GLU A 43 -8.011 0.484 -2.497 1.00 30.21 H new ATOM 0 HA GLU A 43 -6.277 0.999 -4.771 1.00 1.45 H new ATOM 0 HB2 GLU A 43 -8.415 1.751 -5.680 1.00 72.51 H new ATOM 0 HB3 GLU A 43 -8.773 2.650 -4.219 1.00 72.51 H new ATOM 0 HG2 GLU A 43 -6.922 4.194 -4.656 1.00 14.10 H new ATOM 0 HG3 GLU A 43 -6.409 3.247 -6.038 1.00 14.10 H new ATOM 668 N MET A 44 -4.974 2.510 -3.252 1.00 31.33 N ATOM 669 CA MET A 44 -4.145 3.283 -2.316 1.00 72.34 C ATOM 670 C MET A 44 -4.061 4.763 -2.730 1.00 34.32 C ATOM 671 O MET A 44 -3.533 5.090 -3.790 1.00 45.03 O ATOM 672 CB MET A 44 -2.730 2.689 -2.250 1.00 73.15 C ATOM 673 CG MET A 44 -1.780 3.460 -1.335 1.00 4.22 C ATOM 674 SD MET A 44 -0.094 2.816 -1.361 1.00 25.13 S ATOM 675 CE MET A 44 0.301 2.963 -3.103 1.00 5.31 C ATOM 0 H MET A 44 -4.479 2.197 -4.087 1.00 31.33 H new ATOM 0 HA MET A 44 -4.614 3.227 -1.334 1.00 72.34 H new ATOM 0 HB2 MET A 44 -2.795 1.657 -1.904 1.00 73.15 H new ATOM 0 HB3 MET A 44 -2.310 2.663 -3.255 1.00 73.15 H new ATOM 0 HG2 MET A 44 -1.767 4.508 -1.635 1.00 4.22 H new ATOM 0 HG3 MET A 44 -2.160 3.425 -0.314 1.00 4.22 H new ATOM 0 HE1 MET A 44 1.383 2.986 -3.230 1.00 5.31 H new ATOM 0 HE2 MET A 44 -0.109 2.109 -3.642 1.00 5.31 H new ATOM 0 HE3 MET A 44 -0.130 3.883 -3.498 1.00 5.31 H new ATOM 685 N ILE A 45 -4.577 5.651 -1.885 1.00 71.20 N ATOM 686 CA ILE A 45 -4.541 7.097 -2.149 1.00 61.03 C ATOM 687 C ILE A 45 -3.489 7.793 -1.267 1.00 71.33 C ATOM 688 O ILE A 45 -3.626 7.846 -0.048 1.00 42.35 O ATOM 689 CB ILE A 45 -5.931 7.738 -1.896 1.00 13.14 C ATOM 690 CG1 ILE A 45 -7.006 7.039 -2.750 1.00 2.33 C ATOM 691 CG2 ILE A 45 -5.895 9.238 -2.192 1.00 35.31 C ATOM 692 CD1 ILE A 45 -8.411 7.571 -2.540 1.00 11.23 C ATOM 0 H ILE A 45 -5.028 5.399 -1.006 1.00 71.20 H new ATOM 0 HA ILE A 45 -4.270 7.232 -3.196 1.00 61.03 H new ATOM 0 HB ILE A 45 -6.187 7.607 -0.845 1.00 13.14 H new ATOM 0 HG12 ILE A 45 -6.743 7.145 -3.803 1.00 2.33 H new ATOM 0 HG13 ILE A 45 -6.996 5.973 -2.525 1.00 2.33 H new ATOM 0 HG21 ILE A 45 -6.879 9.669 -2.008 1.00 35.31 H new ATOM 0 HG22 ILE A 45 -5.162 9.719 -1.545 1.00 35.31 H new ATOM 0 HG23 ILE A 45 -5.618 9.397 -3.234 1.00 35.31 H new ATOM 0 HD11 ILE A 45 -9.106 7.025 -3.178 1.00 11.23 H new ATOM 0 HD12 ILE A 45 -8.697 7.440 -1.496 1.00 11.23 H new ATOM 0 HD13 ILE A 45 -8.441 8.631 -2.794 1.00 11.23 H new ATOM 704 N ARG A 46 -2.437 8.328 -1.883 1.00 42.02 N ATOM 705 CA ARG A 46 -1.356 8.973 -1.128 1.00 1.10 C ATOM 706 C ARG A 46 -1.498 10.506 -1.101 1.00 2.25 C ATOM 707 O ARG A 46 -1.459 11.164 -2.143 1.00 32.31 O ATOM 708 CB ARG A 46 0.015 8.607 -1.718 1.00 23.13 C ATOM 709 CG ARG A 46 1.178 9.158 -0.896 1.00 22.14 C ATOM 710 CD ARG A 46 2.524 8.996 -1.592 1.00 70.30 C ATOM 711 NE ARG A 46 2.846 7.602 -1.904 1.00 52.22 N ATOM 712 CZ ARG A 46 3.207 6.702 -1.025 1.00 53.22 C ATOM 713 NH1 ARG A 46 3.256 6.987 0.241 1.00 70.51 N ATOM 714 NH2 ARG A 46 3.532 5.513 -1.423 1.00 25.20 N ATOM 0 H ARG A 46 -2.307 8.330 -2.895 1.00 42.02 H new ATOM 0 HA ARG A 46 -1.430 8.604 -0.105 1.00 1.10 H new ATOM 0 HB2 ARG A 46 0.101 7.522 -1.780 1.00 23.13 H new ATOM 0 HB3 ARG A 46 0.082 8.990 -2.736 1.00 23.13 H new ATOM 0 HG2 ARG A 46 1.004 10.215 -0.693 1.00 22.14 H new ATOM 0 HG3 ARG A 46 1.209 8.649 0.067 1.00 22.14 H new ATOM 0 HD2 ARG A 46 2.522 9.577 -2.514 1.00 70.30 H new ATOM 0 HD3 ARG A 46 3.307 9.410 -0.957 1.00 70.30 H new ATOM 0 HE ARG A 46 2.784 7.311 -2.880 1.00 52.22 H new ATOM 0 HH11 ARG A 46 3.011 7.923 0.563 1.00 70.51 H new ATOM 0 HH12 ARG A 46 3.539 6.274 0.914 1.00 70.51 H new ATOM 0 HH21 ARG A 46 3.506 5.283 -2.416 1.00 25.20 H new ATOM 0 HH22 ARG A 46 3.814 4.807 -0.743 1.00 25.20 H new ATOM 728 N LYS A 47 -1.657 11.068 0.096 1.00 63.35 N ATOM 729 CA LYS A 47 -1.613 12.523 0.287 1.00 13.41 C ATOM 730 C LYS A 47 -0.198 12.955 0.711 1.00 50.25 C ATOM 731 O LYS A 47 0.222 12.719 1.849 1.00 22.11 O ATOM 732 CB LYS A 47 -2.645 12.958 1.339 1.00 45.30 C ATOM 733 CG LYS A 47 -4.090 12.664 0.939 1.00 35.52 C ATOM 734 CD LYS A 47 -5.084 13.097 2.018 1.00 44.33 C ATOM 735 CE LYS A 47 -4.998 14.591 2.312 1.00 2.15 C ATOM 736 NZ LYS A 47 -5.264 15.417 1.105 1.00 43.31 N ATOM 0 H LYS A 47 -1.818 10.539 0.953 1.00 63.35 H new ATOM 0 HA LYS A 47 -1.861 13.009 -0.657 1.00 13.41 H new ATOM 0 HB2 LYS A 47 -2.427 12.452 2.280 1.00 45.30 H new ATOM 0 HB3 LYS A 47 -2.538 14.027 1.520 1.00 45.30 H new ATOM 0 HG2 LYS A 47 -4.320 13.180 0.007 1.00 35.52 H new ATOM 0 HG3 LYS A 47 -4.203 11.597 0.749 1.00 35.52 H new ATOM 0 HD2 LYS A 47 -6.096 12.849 1.698 1.00 44.33 H new ATOM 0 HD3 LYS A 47 -4.892 12.536 2.933 1.00 44.33 H new ATOM 0 HE2 LYS A 47 -5.715 14.848 3.091 1.00 2.15 H new ATOM 0 HE3 LYS A 47 -4.007 14.827 2.700 1.00 2.15 H new ATOM 0 HZ1 LYS A 47 -5.329 16.419 1.377 1.00 43.31 H new ATOM 0 HZ2 LYS A 47 -4.489 15.293 0.422 1.00 43.31 H new ATOM 0 HZ3 LYS A 47 -6.160 15.118 0.670 1.00 43.31 H new ATOM 750 N ILE A 48 0.538 13.574 -0.211 1.00 71.24 N ATOM 751 CA ILE A 48 1.952 13.897 0.013 1.00 22.02 C ATOM 752 C ILE A 48 2.223 15.415 0.012 1.00 31.10 C ATOM 753 O ILE A 48 2.187 16.078 -1.032 1.00 22.24 O ATOM 754 CB ILE A 48 2.851 13.187 -1.042 1.00 32.13 C ATOM 755 CG1 ILE A 48 4.327 13.590 -0.866 1.00 1.23 C ATOM 756 CG2 ILE A 48 2.365 13.478 -2.462 1.00 11.12 C ATOM 757 CD1 ILE A 48 5.279 12.873 -1.802 1.00 23.22 C ATOM 0 H ILE A 48 0.181 13.863 -1.122 1.00 71.24 H new ATOM 0 HA ILE A 48 2.204 13.528 1.007 1.00 22.02 H new ATOM 0 HB ILE A 48 2.776 12.112 -0.880 1.00 32.13 H new ATOM 0 HG12 ILE A 48 4.420 14.665 -1.023 1.00 1.23 H new ATOM 0 HG13 ILE A 48 4.627 13.391 0.163 1.00 1.23 H new ATOM 0 HG21 ILE A 48 3.010 12.970 -3.179 1.00 11.12 H new ATOM 0 HG22 ILE A 48 1.342 13.119 -2.577 1.00 11.12 H new ATOM 0 HG23 ILE A 48 2.395 14.552 -2.644 1.00 11.12 H new ATOM 0 HD11 ILE A 48 6.298 13.212 -1.615 1.00 23.22 H new ATOM 0 HD12 ILE A 48 5.217 11.798 -1.631 1.00 23.22 H new ATOM 0 HD13 ILE A 48 5.008 13.092 -2.835 1.00 23.22 H new ATOM 769 N GLY A 49 2.483 15.956 1.203 1.00 24.51 N ATOM 770 CA GLY A 49 2.855 17.359 1.345 1.00 53.04 C ATOM 771 C GLY A 49 1.806 18.336 0.827 1.00 24.11 C ATOM 772 O GLY A 49 0.889 18.723 1.553 1.00 44.11 O ATOM 0 H GLY A 49 2.442 15.441 2.082 1.00 24.51 H new ATOM 0 HA2 GLY A 49 3.043 17.569 2.398 1.00 53.04 H new ATOM 0 HA3 GLY A 49 3.791 17.531 0.813 1.00 53.04 H new ATOM 776 N ASP A 50 1.942 18.739 -0.435 1.00 4.14 N ATOM 777 CA ASP A 50 1.053 19.741 -1.030 1.00 2.32 C ATOM 778 C ASP A 50 0.072 19.123 -2.044 1.00 33.03 C ATOM 779 O ASP A 50 -0.948 19.730 -2.378 1.00 10.12 O ATOM 780 CB ASP A 50 1.896 20.826 -1.709 1.00 61.21 C ATOM 781 CG ASP A 50 1.086 22.059 -2.071 1.00 61.34 C ATOM 782 OD1 ASP A 50 0.900 22.926 -1.192 1.00 4.11 O ATOM 783 OD2 ASP A 50 0.646 22.174 -3.235 1.00 3.12 O ATOM 0 H ASP A 50 2.660 18.387 -1.068 1.00 4.14 H new ATOM 0 HA ASP A 50 0.454 20.175 -0.229 1.00 2.32 H new ATOM 0 HB2 ASP A 50 2.712 21.114 -1.046 1.00 61.21 H new ATOM 0 HB3 ASP A 50 2.349 20.416 -2.612 1.00 61.21 H new ATOM 788 N THR A 51 0.362 17.910 -2.517 1.00 34.15 N ATOM 789 CA THR A 51 -0.456 17.275 -3.568 1.00 33.41 C ATOM 790 C THR A 51 -0.903 15.854 -3.175 1.00 32.01 C ATOM 791 O THR A 51 -0.707 15.417 -2.038 1.00 4.32 O ATOM 792 CB THR A 51 0.307 17.227 -4.918 1.00 22.42 C ATOM 793 OG1 THR A 51 -0.552 16.732 -5.958 1.00 73.21 O ATOM 794 CG2 THR A 51 1.552 16.348 -4.823 1.00 63.33 C ATOM 0 H THR A 51 1.149 17.346 -2.196 1.00 34.15 H new ATOM 0 HA THR A 51 -1.347 17.892 -3.683 1.00 33.41 H new ATOM 0 HB THR A 51 0.621 18.243 -5.156 1.00 22.42 H new ATOM 0 HG1 THR A 51 -1.428 17.167 -5.893 1.00 73.21 H new ATOM 0 HG21 THR A 51 2.063 16.336 -5.786 1.00 63.33 H new ATOM 0 HG22 THR A 51 2.222 16.747 -4.061 1.00 63.33 H new ATOM 0 HG23 THR A 51 1.261 15.333 -4.554 1.00 63.33 H new ATOM 802 N SER A 52 -1.519 15.139 -4.118 1.00 52.03 N ATOM 803 CA SER A 52 -2.030 13.785 -3.866 1.00 11.50 C ATOM 804 C SER A 52 -2.100 12.955 -5.157 1.00 1.02 C ATOM 805 O SER A 52 -2.361 13.482 -6.239 1.00 64.31 O ATOM 806 CB SER A 52 -3.422 13.850 -3.220 1.00 31.42 C ATOM 807 OG SER A 52 -4.338 14.575 -4.029 1.00 74.24 O ATOM 0 H SER A 52 -1.678 15.475 -5.068 1.00 52.03 H new ATOM 0 HA SER A 52 -1.334 13.296 -3.184 1.00 11.50 H new ATOM 0 HB2 SER A 52 -3.797 12.839 -3.060 1.00 31.42 H new ATOM 0 HB3 SER A 52 -3.348 14.322 -2.240 1.00 31.42 H new ATOM 0 HG SER A 52 -5.215 14.597 -3.591 1.00 74.24 H new ATOM 813 N VAL A 53 -1.868 11.651 -5.027 1.00 53.11 N ATOM 814 CA VAL A 53 -1.907 10.724 -6.165 1.00 64.45 C ATOM 815 C VAL A 53 -2.259 9.303 -5.688 1.00 23.03 C ATOM 816 O VAL A 53 -1.877 8.899 -4.589 1.00 11.11 O ATOM 817 CB VAL A 53 -0.552 10.720 -6.929 1.00 44.13 C ATOM 818 CG1 VAL A 53 0.606 10.370 -5.993 1.00 45.41 C ATOM 819 CG2 VAL A 53 -0.599 9.777 -8.132 1.00 32.44 C ATOM 0 H VAL A 53 -1.648 11.205 -4.136 1.00 53.11 H new ATOM 0 HA VAL A 53 -2.681 11.064 -6.852 1.00 64.45 H new ATOM 0 HB VAL A 53 -0.379 11.728 -7.307 1.00 44.13 H new ATOM 0 HG11 VAL A 53 1.541 10.374 -6.553 1.00 45.41 H new ATOM 0 HG12 VAL A 53 0.660 11.106 -5.191 1.00 45.41 H new ATOM 0 HG13 VAL A 53 0.443 9.380 -5.567 1.00 45.41 H new ATOM 0 HG21 VAL A 53 0.362 9.795 -8.646 1.00 32.44 H new ATOM 0 HG22 VAL A 53 -0.809 8.763 -7.792 1.00 32.44 H new ATOM 0 HG23 VAL A 53 -1.383 10.100 -8.817 1.00 32.44 H new ATOM 829 N SER A 54 -3.000 8.548 -6.502 1.00 22.53 N ATOM 830 CA SER A 54 -3.512 7.234 -6.073 1.00 40.02 C ATOM 831 C SER A 54 -3.034 6.076 -6.962 1.00 14.33 C ATOM 832 O SER A 54 -2.485 6.277 -8.048 1.00 1.43 O ATOM 833 CB SER A 54 -5.047 7.247 -6.040 1.00 50.43 C ATOM 834 OG SER A 54 -5.601 7.476 -7.330 1.00 1.32 O ATOM 0 H SER A 54 -3.259 8.815 -7.452 1.00 22.53 H new ATOM 0 HA SER A 54 -3.110 7.062 -5.074 1.00 40.02 H new ATOM 0 HB2 SER A 54 -5.410 6.295 -5.652 1.00 50.43 H new ATOM 0 HB3 SER A 54 -5.389 8.022 -5.355 1.00 50.43 H new ATOM 0 HG SER A 54 -6.579 7.476 -7.271 1.00 1.32 H new ATOM 840 N TYR A 55 -3.267 4.856 -6.480 1.00 35.24 N ATOM 841 CA TYR A 55 -2.902 3.627 -7.190 1.00 43.42 C ATOM 842 C TYR A 55 -3.999 2.564 -7.046 1.00 2.52 C ATOM 843 O TYR A 55 -4.217 2.028 -5.957 1.00 62.45 O ATOM 844 CB TYR A 55 -1.574 3.076 -6.647 1.00 61.35 C ATOM 845 CG TYR A 55 -1.261 1.649 -7.082 1.00 54.24 C ATOM 846 CD1 TYR A 55 -1.069 1.329 -8.425 1.00 11.44 C ATOM 847 CD2 TYR A 55 -1.158 0.622 -6.144 1.00 2.43 C ATOM 848 CE1 TYR A 55 -0.787 0.032 -8.817 1.00 5.23 C ATOM 849 CE2 TYR A 55 -0.876 -0.675 -6.531 1.00 74.24 C ATOM 850 CZ TYR A 55 -0.692 -0.965 -7.867 1.00 71.21 C ATOM 851 OH TYR A 55 -0.412 -2.257 -8.254 1.00 11.03 O ATOM 0 H TYR A 55 -3.717 4.690 -5.580 1.00 35.24 H new ATOM 0 HA TYR A 55 -2.789 3.868 -8.247 1.00 43.42 H new ATOM 0 HB2 TYR A 55 -0.764 3.728 -6.972 1.00 61.35 H new ATOM 0 HB3 TYR A 55 -1.597 3.115 -5.558 1.00 61.35 H new ATOM 0 HD1 TYR A 55 -1.141 2.106 -9.172 1.00 11.44 H new ATOM 0 HD2 TYR A 55 -1.301 0.844 -5.097 1.00 2.43 H new ATOM 0 HE1 TYR A 55 -0.642 -0.199 -9.862 1.00 5.23 H new ATOM 0 HE2 TYR A 55 -0.800 -1.458 -5.791 1.00 74.24 H new ATOM 0 HH TYR A 55 0.135 -2.244 -9.067 1.00 11.03 H new ATOM 861 N LYS A 56 -4.689 2.268 -8.140 1.00 43.31 N ATOM 862 CA LYS A 56 -5.700 1.211 -8.145 1.00 55.25 C ATOM 863 C LYS A 56 -5.031 -0.167 -8.268 1.00 64.54 C ATOM 864 O LYS A 56 -4.263 -0.413 -9.202 1.00 53.13 O ATOM 865 CB LYS A 56 -6.691 1.424 -9.297 1.00 24.41 C ATOM 866 CG LYS A 56 -7.843 0.428 -9.301 1.00 20.21 C ATOM 867 CD LYS A 56 -8.748 0.600 -10.518 1.00 12.04 C ATOM 868 CE LYS A 56 -9.878 -0.421 -10.520 1.00 43.20 C ATOM 869 NZ LYS A 56 -9.362 -1.812 -10.401 1.00 52.11 N ATOM 0 H LYS A 56 -4.570 2.742 -9.035 1.00 43.31 H new ATOM 0 HA LYS A 56 -6.247 1.251 -7.203 1.00 55.25 H new ATOM 0 HB2 LYS A 56 -7.095 2.434 -9.235 1.00 24.41 H new ATOM 0 HB3 LYS A 56 -6.156 1.352 -10.244 1.00 24.41 H new ATOM 0 HG2 LYS A 56 -7.444 -0.586 -9.287 1.00 20.21 H new ATOM 0 HG3 LYS A 56 -8.432 0.552 -8.392 1.00 20.21 H new ATOM 0 HD2 LYS A 56 -9.166 1.607 -10.523 1.00 12.04 H new ATOM 0 HD3 LYS A 56 -8.159 0.495 -11.429 1.00 12.04 H new ATOM 0 HE2 LYS A 56 -10.558 -0.213 -9.694 1.00 43.20 H new ATOM 0 HE3 LYS A 56 -10.455 -0.324 -11.440 1.00 43.20 H new ATOM 0 HZ1 LYS A 56 -9.940 -2.448 -10.987 1.00 52.11 H new ATOM 0 HZ2 LYS A 56 -8.374 -1.845 -10.725 1.00 52.11 H new ATOM 0 HZ3 LYS A 56 -9.411 -2.117 -9.408 1.00 52.11 H new ATOM 883 N TYR A 57 -5.313 -1.058 -7.321 1.00 50.34 N ATOM 884 CA TYR A 57 -4.710 -2.397 -7.319 1.00 52.21 C ATOM 885 C TYR A 57 -5.228 -3.254 -8.488 1.00 52.00 C ATOM 886 O TYR A 57 -6.371 -3.710 -8.481 1.00 42.14 O ATOM 887 CB TYR A 57 -4.986 -3.103 -5.980 1.00 65.53 C ATOM 888 CG TYR A 57 -4.214 -2.523 -4.805 1.00 73.42 C ATOM 889 CD1 TYR A 57 -4.561 -1.299 -4.246 1.00 10.23 C ATOM 890 CD2 TYR A 57 -3.135 -3.205 -4.258 1.00 55.14 C ATOM 891 CE1 TYR A 57 -3.854 -0.775 -3.178 1.00 43.12 C ATOM 892 CE2 TYR A 57 -2.425 -2.688 -3.193 1.00 51.34 C ATOM 893 CZ TYR A 57 -2.787 -1.475 -2.656 1.00 33.44 C ATOM 894 OH TYR A 57 -2.080 -0.960 -1.594 1.00 11.41 O ATOM 0 H TYR A 57 -5.952 -0.882 -6.546 1.00 50.34 H new ATOM 0 HA TYR A 57 -3.634 -2.276 -7.446 1.00 52.21 H new ATOM 0 HB2 TYR A 57 -6.053 -3.046 -5.764 1.00 65.53 H new ATOM 0 HB3 TYR A 57 -4.737 -4.159 -6.080 1.00 65.53 H new ATOM 0 HD1 TYR A 57 -5.396 -0.748 -4.652 1.00 10.23 H new ATOM 0 HD2 TYR A 57 -2.846 -4.159 -4.674 1.00 55.14 H new ATOM 0 HE1 TYR A 57 -4.137 0.178 -2.755 1.00 43.12 H new ATOM 0 HE2 TYR A 57 -1.588 -3.234 -2.783 1.00 51.34 H new ATOM 0 HH TYR A 57 -1.361 -1.579 -1.349 1.00 11.41 H new ATOM 904 N THR A 58 -4.382 -3.446 -9.501 1.00 2.32 N ATOM 905 CA THR A 58 -4.715 -4.315 -10.642 1.00 62.42 C ATOM 906 C THR A 58 -4.709 -5.798 -10.233 1.00 14.04 C ATOM 907 O THR A 58 -3.703 -6.324 -9.746 1.00 22.33 O ATOM 908 CB THR A 58 -3.742 -4.094 -11.830 1.00 32.13 C ATOM 909 OG1 THR A 58 -4.027 -5.016 -12.894 1.00 1.13 O ATOM 910 CG2 THR A 58 -2.284 -4.239 -11.399 1.00 61.22 C ATOM 0 H THR A 58 -3.460 -3.014 -9.559 1.00 2.32 H new ATOM 0 HA THR A 58 -5.720 -4.044 -10.965 1.00 62.42 H new ATOM 0 HB THR A 58 -3.892 -3.075 -12.186 1.00 32.13 H new ATOM 0 HG1 THR A 58 -3.405 -4.862 -13.636 1.00 1.13 H new ATOM 0 HG21 THR A 58 -1.633 -4.077 -12.258 1.00 61.22 H new ATOM 0 HG22 THR A 58 -2.057 -3.502 -10.628 1.00 61.22 H new ATOM 0 HG23 THR A 58 -2.120 -5.241 -11.003 1.00 61.22 H new ATOM 918 N SER A 59 -5.842 -6.473 -10.426 1.00 11.33 N ATOM 919 CA SER A 59 -6.000 -7.859 -9.967 1.00 53.25 C ATOM 920 C SER A 59 -5.415 -8.871 -10.962 1.00 24.21 C ATOM 921 O SER A 59 -6.130 -9.435 -11.791 1.00 13.13 O ATOM 922 CB SER A 59 -7.477 -8.190 -9.704 1.00 54.54 C ATOM 923 OG SER A 59 -7.625 -9.503 -9.174 1.00 74.52 O ATOM 0 H SER A 59 -6.662 -6.088 -10.894 1.00 11.33 H new ATOM 0 HA SER A 59 -5.442 -7.941 -9.034 1.00 53.25 H new ATOM 0 HB2 SER A 59 -7.896 -7.464 -9.007 1.00 54.54 H new ATOM 0 HB3 SER A 59 -8.042 -8.104 -10.632 1.00 54.54 H new ATOM 0 HG SER A 59 -8.574 -9.686 -9.015 1.00 74.52 H new ATOM 929 N ARG A 60 -4.104 -9.083 -10.892 1.00 52.23 N ATOM 930 CA ARG A 60 -3.455 -10.138 -11.680 1.00 72.42 C ATOM 931 C ARG A 60 -3.089 -11.347 -10.799 1.00 0.52 C ATOM 932 O ARG A 60 -2.469 -12.304 -11.266 1.00 30.25 O ATOM 933 CB ARG A 60 -2.208 -9.597 -12.402 1.00 0.35 C ATOM 934 CG ARG A 60 -1.211 -8.891 -11.488 1.00 31.30 C ATOM 935 CD ARG A 60 0.101 -8.584 -12.208 1.00 54.12 C ATOM 936 NE ARG A 60 -0.065 -7.687 -13.350 1.00 22.10 N ATOM 937 CZ ARG A 60 0.916 -7.284 -14.117 1.00 32.12 C ATOM 938 NH1 ARG A 60 2.129 -7.681 -13.903 1.00 14.54 N ATOM 939 NH2 ARG A 60 0.675 -6.501 -15.113 1.00 11.44 N ATOM 0 H ARG A 60 -3.469 -8.544 -10.303 1.00 52.23 H new ATOM 0 HA ARG A 60 -4.168 -10.474 -12.433 1.00 72.42 H new ATOM 0 HB2 ARG A 60 -1.703 -10.425 -12.900 1.00 0.35 H new ATOM 0 HB3 ARG A 60 -2.525 -8.902 -13.180 1.00 0.35 H new ATOM 0 HG2 ARG A 60 -1.649 -7.963 -11.120 1.00 31.30 H new ATOM 0 HG3 ARG A 60 -1.010 -9.516 -10.618 1.00 31.30 H new ATOM 0 HD2 ARG A 60 0.800 -8.136 -11.501 1.00 54.12 H new ATOM 0 HD3 ARG A 60 0.548 -9.518 -12.550 1.00 54.12 H new ATOM 0 HE ARG A 60 -1.005 -7.354 -13.563 1.00 22.10 H new ATOM 0 HH11 ARG A 60 2.329 -8.315 -13.130 1.00 14.54 H new ATOM 0 HH12 ARG A 60 2.885 -7.360 -14.508 1.00 14.54 H new ATOM 0 HH21 ARG A 60 -0.280 -6.196 -15.303 1.00 11.44 H new ATOM 0 HH22 ARG A 60 1.439 -6.187 -15.711 1.00 11.44 H new ATOM 953 N TYR A 61 -3.483 -11.290 -9.524 1.00 34.15 N ATOM 954 CA TYR A 61 -3.276 -12.395 -8.578 1.00 34.01 C ATOM 955 C TYR A 61 -4.174 -12.225 -7.337 1.00 31.34 C ATOM 956 O TYR A 61 -4.753 -11.158 -7.122 1.00 71.30 O ATOM 957 CB TYR A 61 -1.797 -12.488 -8.152 1.00 41.02 C ATOM 958 CG TYR A 61 -1.320 -11.355 -7.256 1.00 2.13 C ATOM 959 CD1 TYR A 61 -0.990 -10.110 -7.785 1.00 54.42 C ATOM 960 CD2 TYR A 61 -1.192 -11.536 -5.879 1.00 0.30 C ATOM 961 CE1 TYR A 61 -0.554 -9.083 -6.970 1.00 34.43 C ATOM 962 CE2 TYR A 61 -0.757 -10.512 -5.060 1.00 74.53 C ATOM 963 CZ TYR A 61 -0.438 -9.290 -5.612 1.00 44.11 C ATOM 964 OH TYR A 61 -0.002 -8.267 -4.802 1.00 43.21 O ATOM 0 H TYR A 61 -3.953 -10.481 -9.118 1.00 34.15 H new ATOM 0 HA TYR A 61 -3.548 -13.322 -9.084 1.00 34.01 H new ATOM 0 HB2 TYR A 61 -1.642 -13.434 -7.632 1.00 41.02 H new ATOM 0 HB3 TYR A 61 -1.176 -12.511 -9.048 1.00 41.02 H new ATOM 0 HD1 TYR A 61 -1.076 -9.945 -8.849 1.00 54.42 H new ATOM 0 HD2 TYR A 61 -1.437 -12.494 -5.445 1.00 0.30 H new ATOM 0 HE1 TYR A 61 -0.305 -8.122 -7.395 1.00 34.43 H new ATOM 0 HE2 TYR A 61 -0.668 -10.668 -3.995 1.00 74.53 H new ATOM 0 HH TYR A 61 0.720 -8.592 -4.224 1.00 43.21 H new ATOM 974 N VAL A 62 -4.285 -13.274 -6.523 1.00 25.42 N ATOM 975 CA VAL A 62 -5.095 -13.225 -5.293 1.00 32.21 C ATOM 976 C VAL A 62 -4.220 -13.063 -4.039 1.00 74.21 C ATOM 977 O VAL A 62 -3.074 -13.518 -4.002 1.00 43.22 O ATOM 978 CB VAL A 62 -5.981 -14.490 -5.140 1.00 23.51 C ATOM 979 CG1 VAL A 62 -6.974 -14.595 -6.296 1.00 50.11 C ATOM 980 CG2 VAL A 62 -5.127 -15.753 -5.046 1.00 70.30 C ATOM 0 H VAL A 62 -3.827 -14.170 -6.688 1.00 25.42 H new ATOM 0 HA VAL A 62 -5.740 -12.351 -5.386 1.00 32.21 H new ATOM 0 HB VAL A 62 -6.543 -14.396 -4.211 1.00 23.51 H new ATOM 0 HG11 VAL A 62 -7.586 -15.488 -6.170 1.00 50.11 H new ATOM 0 HG12 VAL A 62 -7.616 -13.714 -6.305 1.00 50.11 H new ATOM 0 HG13 VAL A 62 -6.430 -14.658 -7.238 1.00 50.11 H new ATOM 0 HG21 VAL A 62 -5.775 -16.623 -4.939 1.00 70.30 H new ATOM 0 HG22 VAL A 62 -4.528 -15.855 -5.951 1.00 70.30 H new ATOM 0 HG23 VAL A 62 -4.468 -15.683 -4.181 1.00 70.30 H new ATOM 990 N LEU A 63 -4.770 -12.415 -3.009 1.00 41.55 N ATOM 991 CA LEU A 63 -4.038 -12.174 -1.760 1.00 0.31 C ATOM 992 C LEU A 63 -4.482 -13.167 -0.672 1.00 61.24 C ATOM 993 O LEU A 63 -5.544 -13.016 -0.066 1.00 71.15 O ATOM 994 CB LEU A 63 -4.247 -10.724 -1.291 1.00 62.00 C ATOM 995 CG LEU A 63 -3.448 -10.311 -0.045 1.00 30.51 C ATOM 996 CD1 LEU A 63 -1.953 -10.532 -0.255 1.00 63.43 C ATOM 997 CD2 LEU A 63 -3.730 -8.852 0.310 1.00 1.42 C ATOM 0 H LEU A 63 -5.721 -12.047 -3.014 1.00 41.55 H new ATOM 0 HA LEU A 63 -2.975 -12.327 -1.945 1.00 0.31 H new ATOM 0 HB2 LEU A 63 -3.983 -10.054 -2.109 1.00 62.00 H new ATOM 0 HB3 LEU A 63 -5.307 -10.576 -1.087 1.00 62.00 H new ATOM 0 HG LEU A 63 -3.768 -10.939 0.786 1.00 30.51 H new ATOM 0 HD11 LEU A 63 -1.411 -10.232 0.642 1.00 63.43 H new ATOM 0 HD12 LEU A 63 -1.766 -11.587 -0.456 1.00 63.43 H new ATOM 0 HD13 LEU A 63 -1.612 -9.936 -1.101 1.00 63.43 H new ATOM 0 HD21 LEU A 63 -3.156 -8.575 1.195 1.00 1.42 H new ATOM 0 HD22 LEU A 63 -3.442 -8.212 -0.524 1.00 1.42 H new ATOM 0 HD23 LEU A 63 -4.793 -8.726 0.513 1.00 1.42 H new ATOM 1009 N LYS A 64 -3.660 -14.187 -0.438 1.00 75.45 N ATOM 1010 CA LYS A 64 -4.000 -15.268 0.499 1.00 2.24 C ATOM 1011 C LYS A 64 -4.177 -14.771 1.947 1.00 72.34 C ATOM 1012 O LYS A 64 -3.743 -13.672 2.306 1.00 10.54 O ATOM 1013 CB LYS A 64 -2.917 -16.353 0.459 1.00 1.12 C ATOM 1014 CG LYS A 64 -2.701 -16.973 -0.920 1.00 23.05 C ATOM 1015 CD LYS A 64 -1.656 -18.087 -0.877 1.00 4.03 C ATOM 1016 CE LYS A 64 -0.292 -17.585 -0.405 1.00 20.21 C ATOM 1017 NZ LYS A 64 0.320 -16.625 -1.365 1.00 22.52 N ATOM 0 H LYS A 64 -2.749 -14.293 -0.884 1.00 75.45 H new ATOM 0 HA LYS A 64 -4.958 -15.676 0.177 1.00 2.24 H new ATOM 0 HB2 LYS A 64 -1.976 -15.924 0.803 1.00 1.12 H new ATOM 0 HB3 LYS A 64 -3.183 -17.142 1.162 1.00 1.12 H new ATOM 0 HG2 LYS A 64 -3.645 -17.372 -1.292 1.00 23.05 H new ATOM 0 HG3 LYS A 64 -2.383 -16.201 -1.621 1.00 23.05 H new ATOM 0 HD2 LYS A 64 -1.999 -18.879 -0.211 1.00 4.03 H new ATOM 0 HD3 LYS A 64 -1.555 -18.526 -1.869 1.00 4.03 H new ATOM 0 HE2 LYS A 64 -0.401 -17.104 0.567 1.00 20.21 H new ATOM 0 HE3 LYS A 64 0.377 -18.434 -0.267 1.00 20.21 H new ATOM 0 HZ1 LYS A 64 0.894 -15.931 -0.844 1.00 22.52 H new ATOM 0 HZ2 LYS A 64 0.925 -17.142 -2.035 1.00 22.52 H new ATOM 0 HZ3 LYS A 64 -0.431 -16.130 -1.888 1.00 22.52 H new ATOM 1031 N ALA A 65 -4.824 -15.593 2.775 1.00 31.50 N ATOM 1032 CA ALA A 65 -5.016 -15.275 4.195 1.00 62.34 C ATOM 1033 C ALA A 65 -3.671 -15.215 4.946 1.00 50.24 C ATOM 1034 O ALA A 65 -2.911 -16.188 4.957 1.00 1.33 O ATOM 1035 CB ALA A 65 -5.944 -16.299 4.841 1.00 32.22 C ATOM 0 H ALA A 65 -5.225 -16.486 2.488 1.00 31.50 H new ATOM 0 HA ALA A 65 -5.475 -14.289 4.261 1.00 62.34 H new ATOM 0 HB1 ALA A 65 -6.080 -16.054 5.894 1.00 32.22 H new ATOM 0 HB2 ALA A 65 -6.911 -16.283 4.337 1.00 32.22 H new ATOM 0 HB3 ALA A 65 -5.506 -17.293 4.754 1.00 32.22 H new ATOM 1041 N GLY A 66 -3.379 -14.070 5.563 1.00 4.14 N ATOM 1042 CA GLY A 66 -2.121 -13.899 6.286 1.00 74.01 C ATOM 1043 C GLY A 66 -0.924 -13.661 5.365 1.00 44.44 C ATOM 1044 O GLY A 66 0.224 -13.868 5.762 1.00 62.04 O ATOM 0 H GLY A 66 -3.991 -13.254 5.577 1.00 4.14 H new ATOM 0 HA2 GLY A 66 -2.216 -13.058 6.973 1.00 74.01 H new ATOM 0 HA3 GLY A 66 -1.934 -14.786 6.892 1.00 74.01 H new ATOM 1048 N GLN A 67 -1.192 -13.225 4.132 1.00 50.40 N ATOM 1049 CA GLN A 67 -0.132 -12.997 3.137 1.00 63.32 C ATOM 1050 C GLN A 67 0.303 -11.521 3.086 1.00 21.42 C ATOM 1051 O GLN A 67 -0.533 -10.614 3.053 1.00 75.11 O ATOM 1052 CB GLN A 67 -0.616 -13.450 1.748 1.00 43.53 C ATOM 1053 CG GLN A 67 0.412 -13.302 0.622 1.00 4.24 C ATOM 1054 CD GLN A 67 1.688 -14.080 0.879 1.00 22.13 C ATOM 1055 OE1 GLN A 67 1.772 -15.265 0.583 1.00 35.03 O ATOM 1056 NE2 GLN A 67 2.707 -13.413 1.381 1.00 41.55 N ATOM 0 H GLN A 67 -2.133 -13.022 3.795 1.00 50.40 H new ATOM 0 HA GLN A 67 0.736 -13.585 3.436 1.00 63.32 H new ATOM 0 HB2 GLN A 67 -0.918 -14.496 1.809 1.00 43.53 H new ATOM 0 HB3 GLN A 67 -1.505 -12.877 1.485 1.00 43.53 H new ATOM 0 HG2 GLN A 67 -0.031 -13.641 -0.314 1.00 4.24 H new ATOM 0 HG3 GLN A 67 0.655 -12.247 0.496 1.00 4.24 H new ATOM 0 HE21 GLN A 67 2.604 -12.426 1.617 1.00 41.55 H new ATOM 0 HE22 GLN A 67 3.599 -13.883 1.534 1.00 41.55 H new ATOM 1065 N THR A 68 1.618 -11.293 3.094 1.00 44.13 N ATOM 1066 CA THR A 68 2.187 -9.942 2.950 1.00 44.54 C ATOM 1067 C THR A 68 2.528 -9.620 1.486 1.00 70.14 C ATOM 1068 O THR A 68 2.922 -10.502 0.721 1.00 10.42 O ATOM 1069 CB THR A 68 3.477 -9.779 3.792 1.00 74.51 C ATOM 1070 OG1 THR A 68 4.457 -10.748 3.386 1.00 25.14 O ATOM 1071 CG2 THR A 68 3.188 -9.939 5.279 1.00 54.14 C ATOM 0 H THR A 68 2.317 -12.029 3.199 1.00 44.13 H new ATOM 0 HA THR A 68 1.422 -9.252 3.306 1.00 44.54 H new ATOM 0 HB THR A 68 3.864 -8.774 3.622 1.00 74.51 H new ATOM 0 HG1 THR A 68 5.269 -10.636 3.922 1.00 25.14 H new ATOM 0 HG21 THR A 68 4.112 -9.819 5.844 1.00 54.14 H new ATOM 0 HG22 THR A 68 2.470 -9.182 5.594 1.00 54.14 H new ATOM 0 HG23 THR A 68 2.775 -10.930 5.465 1.00 54.14 H new ATOM 1079 N VAL A 69 2.368 -8.351 1.102 1.00 62.30 N ATOM 1080 CA VAL A 69 2.732 -7.875 -0.246 1.00 2.31 C ATOM 1081 C VAL A 69 3.432 -6.505 -0.185 1.00 42.41 C ATOM 1082 O VAL A 69 3.122 -5.673 0.670 1.00 2.13 O ATOM 1083 CB VAL A 69 1.497 -7.771 -1.180 1.00 31.40 C ATOM 1084 CG1 VAL A 69 0.977 -9.158 -1.555 1.00 41.41 C ATOM 1085 CG2 VAL A 69 0.392 -6.931 -0.537 1.00 62.11 C ATOM 0 H VAL A 69 1.986 -7.625 1.708 1.00 62.30 H new ATOM 0 HA VAL A 69 3.418 -8.615 -0.657 1.00 2.31 H new ATOM 0 HB VAL A 69 1.811 -7.269 -2.095 1.00 31.40 H new ATOM 0 HG11 VAL A 69 0.111 -9.057 -2.210 1.00 41.41 H new ATOM 0 HG12 VAL A 69 1.760 -9.713 -2.071 1.00 41.41 H new ATOM 0 HG13 VAL A 69 0.688 -9.695 -0.651 1.00 41.41 H new ATOM 0 HG21 VAL A 69 -0.462 -6.874 -1.212 1.00 62.11 H new ATOM 0 HG22 VAL A 69 0.083 -7.393 0.401 1.00 62.11 H new ATOM 0 HG23 VAL A 69 0.766 -5.926 -0.340 1.00 62.11 H new ATOM 1095 N THR A 70 4.378 -6.280 -1.096 1.00 3.11 N ATOM 1096 CA THR A 70 5.161 -5.034 -1.118 1.00 62.42 C ATOM 1097 C THR A 70 4.731 -4.105 -2.265 1.00 24.20 C ATOM 1098 O THR A 70 4.632 -4.531 -3.414 1.00 34.02 O ATOM 1099 CB THR A 70 6.672 -5.334 -1.276 1.00 41.01 C ATOM 1100 OG1 THR A 70 7.091 -6.316 -0.311 1.00 53.22 O ATOM 1101 CG2 THR A 70 7.506 -4.072 -1.115 1.00 42.33 C ATOM 0 H THR A 70 4.625 -6.942 -1.832 1.00 3.11 H new ATOM 0 HA THR A 70 4.974 -4.536 -0.167 1.00 62.42 H new ATOM 0 HB THR A 70 6.828 -5.724 -2.282 1.00 41.01 H new ATOM 0 HG1 THR A 70 7.042 -7.209 -0.711 1.00 53.22 H new ATOM 0 HG21 THR A 70 8.562 -4.316 -1.231 1.00 42.33 H new ATOM 0 HG22 THR A 70 7.216 -3.345 -1.874 1.00 42.33 H new ATOM 0 HG23 THR A 70 7.339 -3.649 -0.124 1.00 42.33 H new ATOM 1109 N ILE A 71 4.473 -2.839 -1.944 1.00 11.33 N ATOM 1110 CA ILE A 71 4.140 -1.830 -2.958 1.00 75.24 C ATOM 1111 C ILE A 71 5.354 -0.934 -3.262 1.00 64.33 C ATOM 1112 O ILE A 71 5.705 -0.059 -2.466 1.00 71.31 O ATOM 1113 CB ILE A 71 2.953 -0.938 -2.507 1.00 42.31 C ATOM 1114 CG1 ILE A 71 1.739 -1.803 -2.115 1.00 4.41 C ATOM 1115 CG2 ILE A 71 2.579 0.055 -3.612 1.00 43.24 C ATOM 1116 CD1 ILE A 71 1.205 -2.667 -3.238 1.00 74.02 C ATOM 0 H ILE A 71 4.487 -2.483 -0.988 1.00 11.33 H new ATOM 0 HA ILE A 71 3.852 -2.371 -3.859 1.00 75.24 H new ATOM 0 HB ILE A 71 3.262 -0.372 -1.628 1.00 42.31 H new ATOM 0 HG12 ILE A 71 2.019 -2.445 -1.279 1.00 4.41 H new ATOM 0 HG13 ILE A 71 0.940 -1.150 -1.762 1.00 4.41 H new ATOM 0 HG21 ILE A 71 1.745 0.673 -3.279 1.00 43.24 H new ATOM 0 HG22 ILE A 71 3.436 0.691 -3.835 1.00 43.24 H new ATOM 0 HG23 ILE A 71 2.290 -0.492 -4.510 1.00 43.24 H new ATOM 0 HD11 ILE A 71 0.352 -3.244 -2.880 1.00 74.02 H new ATOM 0 HD12 ILE A 71 0.891 -2.033 -4.067 1.00 74.02 H new ATOM 0 HD13 ILE A 71 1.986 -3.347 -3.577 1.00 74.02 H new ATOM 1128 N TRP A 72 6.001 -1.173 -4.403 1.00 61.10 N ATOM 1129 CA TRP A 72 7.171 -0.387 -4.824 1.00 14.01 C ATOM 1130 C TRP A 72 6.750 0.916 -5.526 1.00 21.51 C ATOM 1131 O TRP A 72 5.590 1.079 -5.902 1.00 24.30 O ATOM 1132 CB TRP A 72 8.049 -1.221 -5.766 1.00 64.13 C ATOM 1133 CG TRP A 72 8.526 -2.512 -5.165 1.00 42.41 C ATOM 1134 CD1 TRP A 72 7.927 -3.736 -5.265 1.00 55.22 C ATOM 1135 CD2 TRP A 72 9.701 -2.706 -4.370 1.00 53.30 C ATOM 1136 NE1 TRP A 72 8.661 -4.677 -4.589 1.00 24.12 N ATOM 1137 CE2 TRP A 72 9.754 -4.071 -4.028 1.00 62.22 C ATOM 1138 CE3 TRP A 72 10.714 -1.858 -3.916 1.00 22.02 C ATOM 1139 CZ2 TRP A 72 10.782 -4.605 -3.254 1.00 34.42 C ATOM 1140 CZ3 TRP A 72 11.732 -2.387 -3.148 1.00 31.10 C ATOM 1141 CH2 TRP A 72 11.761 -3.750 -2.823 1.00 4.24 C ATOM 0 H TRP A 72 5.736 -1.908 -5.059 1.00 61.10 H new ATOM 0 HA TRP A 72 7.737 -0.124 -3.931 1.00 14.01 H new ATOM 0 HB2 TRP A 72 7.486 -1.439 -6.674 1.00 64.13 H new ATOM 0 HB3 TRP A 72 8.914 -0.627 -6.062 1.00 64.13 H new ATOM 0 HD1 TRP A 72 7.009 -3.934 -5.799 1.00 55.22 H new ATOM 0 HE1 TRP A 72 8.430 -5.668 -4.516 1.00 24.12 H new ATOM 0 HE3 TRP A 72 10.701 -0.806 -4.162 1.00 22.02 H new ATOM 0 HZ2 TRP A 72 10.806 -5.655 -3.003 1.00 34.42 H new ATOM 0 HZ3 TRP A 72 12.519 -1.739 -2.792 1.00 31.10 H new ATOM 0 HH2 TRP A 72 12.571 -4.134 -2.221 1.00 4.24 H new ATOM 1152 N ALA A 73 7.698 1.839 -5.710 1.00 43.11 N ATOM 1153 CA ALA A 73 7.411 3.128 -6.367 1.00 70.00 C ATOM 1154 C ALA A 73 8.349 3.414 -7.560 1.00 43.12 C ATOM 1155 O ALA A 73 9.454 3.931 -7.386 1.00 54.32 O ATOM 1156 CB ALA A 73 7.486 4.265 -5.351 1.00 20.33 C ATOM 0 H ALA A 73 8.668 1.724 -5.417 1.00 43.11 H new ATOM 0 HA ALA A 73 6.400 3.061 -6.769 1.00 70.00 H new ATOM 0 HB1 ALA A 73 7.272 5.211 -5.848 1.00 20.33 H new ATOM 0 HB2 ALA A 73 6.754 4.096 -4.561 1.00 20.33 H new ATOM 0 HB3 ALA A 73 8.485 4.300 -4.918 1.00 20.33 H new ATOM 1162 N ALA A 74 7.888 3.052 -8.764 1.00 51.35 N ATOM 1163 CA ALA A 74 8.577 3.353 -10.037 1.00 10.23 C ATOM 1164 C ALA A 74 10.085 3.028 -10.033 1.00 60.34 C ATOM 1165 O ALA A 74 10.502 1.960 -10.488 1.00 74.21 O ATOM 1166 CB ALA A 74 8.352 4.813 -10.426 1.00 11.43 C ATOM 0 H ALA A 74 7.017 2.536 -8.889 1.00 51.35 H new ATOM 0 HA ALA A 74 8.132 2.692 -10.781 1.00 10.23 H new ATOM 0 HB1 ALA A 74 8.864 5.022 -11.365 1.00 11.43 H new ATOM 0 HB2 ALA A 74 7.284 4.997 -10.546 1.00 11.43 H new ATOM 0 HB3 ALA A 74 8.747 5.463 -9.645 1.00 11.43 H new ATOM 1172 N ASN A 75 10.896 3.944 -9.501 1.00 0.41 N ATOM 1173 CA ASN A 75 12.363 3.833 -9.560 1.00 42.32 C ATOM 1174 C ASN A 75 12.921 2.827 -8.535 1.00 73.15 C ATOM 1175 O ASN A 75 14.007 3.017 -7.985 1.00 32.14 O ATOM 1176 CB ASN A 75 12.988 5.217 -9.340 1.00 32.35 C ATOM 1177 CG ASN A 75 12.645 6.180 -10.462 1.00 42.34 C ATOM 1178 OD1 ASN A 75 11.642 6.880 -10.414 1.00 61.35 O ATOM 1179 ND2 ASN A 75 13.472 6.218 -11.485 1.00 54.44 N ATOM 0 H ASN A 75 10.563 4.779 -9.020 1.00 0.41 H new ATOM 0 HA ASN A 75 12.627 3.455 -10.548 1.00 42.32 H new ATOM 0 HB2 ASN A 75 12.639 5.626 -8.392 1.00 32.35 H new ATOM 0 HB3 ASN A 75 14.071 5.118 -9.265 1.00 32.35 H new ATOM 0 HD21 ASN A 75 13.286 6.844 -12.269 1.00 54.44 H new ATOM 0 HD22 ASN A 75 14.299 5.622 -11.494 1.00 54.44 H new ATOM 1186 N ALA A 76 12.187 1.742 -8.308 1.00 73.24 N ATOM 1187 CA ALA A 76 12.637 0.673 -7.414 1.00 43.13 C ATOM 1188 C ALA A 76 13.622 -0.278 -8.120 1.00 33.44 C ATOM 1189 O ALA A 76 14.254 -1.119 -7.480 1.00 64.21 O ATOM 1190 CB ALA A 76 11.435 -0.107 -6.891 1.00 30.03 C ATOM 0 H ALA A 76 11.274 1.577 -8.731 1.00 73.24 H new ATOM 0 HA ALA A 76 13.163 1.133 -6.577 1.00 43.13 H new ATOM 0 HB1 ALA A 76 11.777 -0.901 -6.227 1.00 30.03 H new ATOM 0 HB2 ALA A 76 10.775 0.566 -6.343 1.00 30.03 H new ATOM 0 HB3 ALA A 76 10.892 -0.544 -7.729 1.00 30.03 H new ATOM 1196 N GLY A 77 13.728 -0.155 -9.445 1.00 3.52 N ATOM 1197 CA GLY A 77 14.651 -0.989 -10.215 1.00 54.52 C ATOM 1198 C GLY A 77 14.112 -2.389 -10.503 1.00 52.31 C ATOM 1199 O GLY A 77 14.259 -2.902 -11.613 1.00 0.23 O ATOM 0 H GLY A 77 13.190 0.509 -10.003 1.00 3.52 H new ATOM 0 HA2 GLY A 77 14.874 -0.493 -11.160 1.00 54.52 H new ATOM 0 HA3 GLY A 77 15.591 -1.075 -9.670 1.00 54.52 H new ATOM 1203 N VAL A 78 13.491 -3.001 -9.497 1.00 21.42 N ATOM 1204 CA VAL A 78 12.935 -4.355 -9.612 1.00 12.52 C ATOM 1205 C VAL A 78 11.939 -4.494 -10.782 1.00 42.22 C ATOM 1206 O VAL A 78 11.382 -3.505 -11.270 1.00 21.43 O ATOM 1207 CB VAL A 78 12.233 -4.774 -8.293 1.00 21.53 C ATOM 1208 CG1 VAL A 78 13.212 -4.716 -7.119 1.00 50.21 C ATOM 1209 CG2 VAL A 78 11.012 -3.891 -8.024 1.00 23.33 C ATOM 0 H VAL A 78 13.357 -2.577 -8.579 1.00 21.42 H new ATOM 0 HA VAL A 78 13.779 -5.015 -9.811 1.00 12.52 H new ATOM 0 HB VAL A 78 11.890 -5.803 -8.401 1.00 21.53 H new ATOM 0 HG11 VAL A 78 12.700 -5.013 -6.204 1.00 50.21 H new ATOM 0 HG12 VAL A 78 14.045 -5.394 -7.306 1.00 50.21 H new ATOM 0 HG13 VAL A 78 13.589 -3.699 -7.010 1.00 50.21 H new ATOM 0 HG21 VAL A 78 10.535 -4.203 -7.095 1.00 23.33 H new ATOM 0 HG22 VAL A 78 11.327 -2.851 -7.940 1.00 23.33 H new ATOM 0 HG23 VAL A 78 10.303 -3.990 -8.846 1.00 23.33 H new ATOM 1219 N THR A 79 11.727 -5.732 -11.227 1.00 50.15 N ATOM 1220 CA THR A 79 10.786 -6.022 -12.317 1.00 63.54 C ATOM 1221 C THR A 79 9.334 -5.768 -11.892 1.00 41.21 C ATOM 1222 O THR A 79 8.918 -6.171 -10.806 1.00 62.13 O ATOM 1223 CB THR A 79 10.911 -7.491 -12.790 1.00 1.02 C ATOM 1224 OG1 THR A 79 10.649 -8.392 -11.697 1.00 61.50 O ATOM 1225 CG2 THR A 79 12.302 -7.767 -13.356 1.00 42.35 C ATOM 0 H THR A 79 12.195 -6.556 -10.850 1.00 50.15 H new ATOM 0 HA THR A 79 11.044 -5.350 -13.136 1.00 63.54 H new ATOM 0 HB THR A 79 10.175 -7.653 -13.577 1.00 1.02 H new ATOM 0 HG1 THR A 79 10.729 -9.317 -12.009 1.00 61.50 H new ATOM 0 HG21 THR A 79 12.363 -8.806 -13.681 1.00 42.35 H new ATOM 0 HG22 THR A 79 12.486 -7.110 -14.206 1.00 42.35 H new ATOM 0 HG23 THR A 79 13.051 -7.583 -12.586 1.00 42.35 H new ATOM 1233 N ALA A 80 8.558 -5.133 -12.768 1.00 43.23 N ATOM 1234 CA ALA A 80 7.170 -4.759 -12.465 1.00 11.42 C ATOM 1235 C ALA A 80 6.191 -5.926 -12.694 1.00 13.04 C ATOM 1236 O ALA A 80 5.062 -5.725 -13.152 1.00 25.01 O ATOM 1237 CB ALA A 80 6.775 -3.554 -13.317 1.00 74.42 C ATOM 0 H ALA A 80 8.866 -4.863 -13.702 1.00 43.23 H new ATOM 0 HA ALA A 80 7.111 -4.500 -11.408 1.00 11.42 H new ATOM 0 HB1 ALA A 80 5.745 -3.273 -13.095 1.00 74.42 H new ATOM 0 HB2 ALA A 80 7.436 -2.717 -13.092 1.00 74.42 H new ATOM 0 HB3 ALA A 80 6.861 -3.811 -14.373 1.00 74.42 H new ATOM 1243 N SER A 81 6.610 -7.140 -12.335 1.00 72.10 N ATOM 1244 CA SER A 81 5.803 -8.345 -12.583 1.00 21.52 C ATOM 1245 C SER A 81 5.654 -9.225 -11.328 1.00 63.31 C ATOM 1246 O SER A 81 6.592 -9.916 -10.929 1.00 14.31 O ATOM 1247 CB SER A 81 6.407 -9.178 -13.725 1.00 3.11 C ATOM 1248 OG SER A 81 6.402 -8.456 -14.950 1.00 35.03 O ATOM 0 H SER A 81 7.501 -7.319 -11.872 1.00 72.10 H new ATOM 0 HA SER A 81 4.809 -7.999 -12.866 1.00 21.52 H new ATOM 0 HB2 SER A 81 7.429 -9.460 -13.471 1.00 3.11 H new ATOM 0 HB3 SER A 81 5.841 -10.102 -13.843 1.00 3.11 H new ATOM 0 HG SER A 81 6.793 -9.010 -15.658 1.00 35.03 H new ATOM 1254 N PRO A 82 4.471 -9.158 -10.674 1.00 22.20 N ATOM 1255 CA PRO A 82 4.041 -10.105 -9.606 1.00 52.31 C ATOM 1256 C PRO A 82 4.319 -11.617 -9.934 1.00 20.20 C ATOM 1257 O PRO A 82 5.074 -11.919 -10.857 1.00 14.42 O ATOM 1258 CB PRO A 82 2.538 -9.787 -9.534 1.00 42.21 C ATOM 1259 CG PRO A 82 2.466 -8.333 -9.793 1.00 70.23 C ATOM 1260 CD PRO A 82 3.470 -8.086 -10.880 1.00 31.25 C ATOM 0 HA PRO A 82 4.586 -9.977 -8.671 1.00 52.31 H new ATOM 0 HB2 PRO A 82 1.975 -10.353 -10.276 1.00 42.21 H new ATOM 0 HB3 PRO A 82 2.123 -10.039 -8.558 1.00 42.21 H new ATOM 0 HG2 PRO A 82 1.465 -8.036 -10.105 1.00 70.23 H new ATOM 0 HG3 PRO A 82 2.704 -7.760 -8.897 1.00 70.23 H new ATOM 0 HD2 PRO A 82 3.015 -8.146 -11.869 1.00 31.25 H new ATOM 0 HD3 PRO A 82 3.918 -7.096 -10.795 1.00 31.25 H new ATOM 1268 N PRO A 83 3.706 -12.617 -9.225 1.00 43.13 N ATOM 1269 CA PRO A 83 2.589 -12.468 -8.273 1.00 25.45 C ATOM 1270 C PRO A 83 3.024 -12.092 -6.846 1.00 33.20 C ATOM 1271 O PRO A 83 2.183 -11.953 -5.960 1.00 64.35 O ATOM 1272 CB PRO A 83 1.918 -13.864 -8.306 1.00 63.53 C ATOM 1273 CG PRO A 83 2.735 -14.680 -9.268 1.00 63.13 C ATOM 1274 CD PRO A 83 4.081 -14.029 -9.298 1.00 34.41 C ATOM 0 HA PRO A 83 1.931 -11.646 -8.556 1.00 25.45 H new ATOM 0 HB2 PRO A 83 1.909 -14.318 -7.315 1.00 63.53 H new ATOM 0 HB3 PRO A 83 0.881 -13.793 -8.634 1.00 63.53 H new ATOM 0 HG2 PRO A 83 2.807 -15.717 -8.940 1.00 63.13 H new ATOM 0 HG3 PRO A 83 2.281 -14.690 -10.259 1.00 63.13 H new ATOM 0 HD2 PRO A 83 4.706 -14.334 -8.459 1.00 34.41 H new ATOM 0 HD3 PRO A 83 4.633 -14.263 -10.208 1.00 34.41 H new ATOM 1282 N THR A 84 4.329 -11.916 -6.634 1.00 42.12 N ATOM 1283 CA THR A 84 4.861 -11.560 -5.307 1.00 2.41 C ATOM 1284 C THR A 84 4.437 -10.149 -4.862 1.00 54.24 C ATOM 1285 O THR A 84 3.604 -9.997 -3.965 1.00 31.51 O ATOM 1286 CB THR A 84 6.409 -11.642 -5.268 1.00 34.31 C ATOM 1287 OG1 THR A 84 6.980 -10.726 -6.215 1.00 13.01 O ATOM 1288 CG2 THR A 84 6.895 -13.055 -5.573 1.00 53.51 C ATOM 0 H THR A 84 5.040 -12.013 -7.359 1.00 42.12 H new ATOM 0 HA THR A 84 4.436 -12.291 -4.619 1.00 2.41 H new ATOM 0 HB THR A 84 6.730 -11.374 -4.261 1.00 34.31 H new ATOM 0 HG1 THR A 84 7.338 -9.947 -5.741 1.00 13.01 H new ATOM 0 HG21 THR A 84 7.984 -13.081 -5.538 1.00 53.51 H new ATOM 0 HG22 THR A 84 6.492 -13.746 -4.833 1.00 53.51 H new ATOM 0 HG23 THR A 84 6.557 -13.350 -6.566 1.00 53.51 H new ATOM 1296 N ASP A 85 5.008 -9.121 -5.497 1.00 34.21 N ATOM 1297 CA ASP A 85 4.778 -7.724 -5.087 1.00 64.04 C ATOM 1298 C ASP A 85 4.182 -6.872 -6.227 1.00 75.13 C ATOM 1299 O ASP A 85 4.137 -7.297 -7.382 1.00 41.31 O ATOM 1300 CB ASP A 85 6.101 -7.102 -4.622 1.00 10.24 C ATOM 1301 CG ASP A 85 6.903 -8.041 -3.734 1.00 55.02 C ATOM 1302 OD1 ASP A 85 6.579 -8.164 -2.532 1.00 32.22 O ATOM 1303 OD2 ASP A 85 7.865 -8.660 -4.240 1.00 43.14 O ATOM 0 H ASP A 85 5.633 -9.225 -6.296 1.00 34.21 H new ATOM 0 HA ASP A 85 4.055 -7.735 -4.271 1.00 64.04 H new ATOM 0 HB2 ASP A 85 6.698 -6.832 -5.493 1.00 10.24 H new ATOM 0 HB3 ASP A 85 5.895 -6.180 -4.078 1.00 10.24 H new ATOM 1308 N LEU A 86 3.738 -5.660 -5.887 1.00 2.35 N ATOM 1309 CA LEU A 86 3.165 -4.722 -6.864 1.00 74.10 C ATOM 1310 C LEU A 86 4.028 -3.457 -6.999 1.00 45.10 C ATOM 1311 O LEU A 86 4.456 -2.874 -6.003 1.00 15.25 O ATOM 1312 CB LEU A 86 1.739 -4.339 -6.451 1.00 45.44 C ATOM 1313 CG LEU A 86 0.685 -5.447 -6.614 1.00 10.44 C ATOM 1314 CD1 LEU A 86 -0.655 -5.018 -6.019 1.00 72.14 C ATOM 1315 CD2 LEU A 86 0.528 -5.815 -8.089 1.00 13.35 C ATOM 0 H LEU A 86 3.764 -5.299 -4.933 1.00 2.35 H new ATOM 0 HA LEU A 86 3.141 -5.220 -7.833 1.00 74.10 H new ATOM 0 HB2 LEU A 86 1.753 -4.025 -5.407 1.00 45.44 H new ATOM 0 HB3 LEU A 86 1.428 -3.476 -7.039 1.00 45.44 H new ATOM 0 HG LEU A 86 1.026 -6.328 -6.070 1.00 10.44 H new ATOM 0 HD11 LEU A 86 -1.383 -5.819 -6.147 1.00 72.14 H new ATOM 0 HD12 LEU A 86 -0.531 -4.807 -4.957 1.00 72.14 H new ATOM 0 HD13 LEU A 86 -1.009 -4.121 -6.528 1.00 72.14 H new ATOM 0 HD21 LEU A 86 -0.221 -6.600 -8.190 1.00 13.35 H new ATOM 0 HD22 LEU A 86 0.211 -4.937 -8.651 1.00 13.35 H new ATOM 0 HD23 LEU A 86 1.482 -6.171 -8.479 1.00 13.35 H new ATOM 1327 N ILE A 87 4.274 -3.033 -8.237 1.00 21.13 N ATOM 1328 CA ILE A 87 5.102 -1.851 -8.503 1.00 61.41 C ATOM 1329 C ILE A 87 4.248 -0.675 -9.018 1.00 41.22 C ATOM 1330 O ILE A 87 3.678 -0.736 -10.107 1.00 40.02 O ATOM 1331 CB ILE A 87 6.231 -2.155 -9.536 1.00 72.21 C ATOM 1332 CG1 ILE A 87 7.252 -3.172 -8.979 1.00 44.23 C ATOM 1333 CG2 ILE A 87 6.950 -0.870 -9.947 1.00 50.11 C ATOM 1334 CD1 ILE A 87 6.720 -4.583 -8.822 1.00 13.22 C ATOM 0 H ILE A 87 3.913 -3.489 -9.075 1.00 21.13 H new ATOM 0 HA ILE A 87 5.561 -1.574 -7.554 1.00 61.41 H new ATOM 0 HB ILE A 87 5.757 -2.594 -10.414 1.00 72.21 H new ATOM 0 HG12 ILE A 87 8.118 -3.196 -9.641 1.00 44.23 H new ATOM 0 HG13 ILE A 87 7.602 -2.820 -8.009 1.00 44.23 H new ATOM 0 HG21 ILE A 87 7.733 -1.106 -10.668 1.00 50.11 H new ATOM 0 HG22 ILE A 87 6.236 -0.182 -10.399 1.00 50.11 H new ATOM 0 HG23 ILE A 87 7.395 -0.405 -9.067 1.00 50.11 H new ATOM 0 HD11 ILE A 87 7.506 -5.226 -8.426 1.00 13.22 H new ATOM 0 HD12 ILE A 87 5.874 -4.578 -8.135 1.00 13.22 H new ATOM 0 HD13 ILE A 87 6.398 -4.960 -9.792 1.00 13.22 H new ATOM 1346 N TRP A 88 4.172 0.391 -8.224 1.00 52.42 N ATOM 1347 CA TRP A 88 3.417 1.596 -8.589 1.00 35.34 C ATOM 1348 C TRP A 88 4.272 2.532 -9.465 1.00 3.23 C ATOM 1349 O TRP A 88 5.228 3.141 -8.993 1.00 30.12 O ATOM 1350 CB TRP A 88 2.965 2.309 -7.308 1.00 22.01 C ATOM 1351 CG TRP A 88 2.083 3.502 -7.531 1.00 23.12 C ATOM 1352 CD1 TRP A 88 1.281 3.754 -8.607 1.00 64.50 C ATOM 1353 CD2 TRP A 88 1.898 4.596 -6.629 1.00 72.14 C ATOM 1354 NE1 TRP A 88 0.614 4.941 -8.429 1.00 43.52 N ATOM 1355 CE2 TRP A 88 0.975 5.477 -7.220 1.00 42.42 C ATOM 1356 CE3 TRP A 88 2.424 4.912 -5.376 1.00 10.33 C ATOM 1357 CZ2 TRP A 88 0.570 6.654 -6.602 1.00 22.22 C ATOM 1358 CZ3 TRP A 88 2.021 6.080 -4.762 1.00 24.54 C ATOM 1359 CH2 TRP A 88 1.100 6.938 -5.373 1.00 15.33 C ATOM 0 H TRP A 88 4.628 0.448 -7.313 1.00 52.42 H new ATOM 0 HA TRP A 88 2.541 1.312 -9.172 1.00 35.34 H new ATOM 0 HB2 TRP A 88 2.434 1.594 -6.679 1.00 22.01 H new ATOM 0 HB3 TRP A 88 3.849 2.626 -6.754 1.00 22.01 H new ATOM 0 HD1 TRP A 88 1.185 3.114 -9.471 1.00 64.50 H new ATOM 0 HE1 TRP A 88 -0.043 5.356 -9.089 1.00 43.52 H new ATOM 0 HE3 TRP A 88 3.133 4.255 -4.896 1.00 10.33 H new ATOM 0 HZ2 TRP A 88 -0.137 7.320 -7.074 1.00 22.22 H new ATOM 0 HZ3 TRP A 88 2.423 6.336 -3.793 1.00 24.54 H new ATOM 0 HH2 TRP A 88 0.801 7.843 -4.864 1.00 15.33 H new ATOM 1370 N LYS A 89 3.911 2.648 -10.742 1.00 23.21 N ATOM 1371 CA LYS A 89 4.743 3.356 -11.729 1.00 2.25 C ATOM 1372 C LYS A 89 4.519 4.882 -11.746 1.00 10.02 C ATOM 1373 O LYS A 89 5.289 5.612 -12.370 1.00 54.55 O ATOM 1374 CB LYS A 89 4.472 2.777 -13.124 1.00 64.55 C ATOM 1375 CG LYS A 89 4.733 1.275 -13.225 1.00 20.12 C ATOM 1376 CD LYS A 89 4.332 0.718 -14.591 1.00 60.21 C ATOM 1377 CE LYS A 89 5.139 1.335 -15.730 1.00 72.14 C ATOM 1378 NZ LYS A 89 4.703 0.822 -17.055 1.00 53.45 N ATOM 0 H LYS A 89 3.047 2.262 -11.123 1.00 23.21 H new ATOM 0 HA LYS A 89 5.782 3.202 -11.437 1.00 2.25 H new ATOM 0 HB2 LYS A 89 3.435 2.976 -13.396 1.00 64.55 H new ATOM 0 HB3 LYS A 89 5.097 3.295 -13.851 1.00 64.55 H new ATOM 0 HG2 LYS A 89 5.790 1.077 -13.048 1.00 20.12 H new ATOM 0 HG3 LYS A 89 4.177 0.756 -12.444 1.00 20.12 H new ATOM 0 HD2 LYS A 89 4.471 -0.363 -14.595 1.00 60.21 H new ATOM 0 HD3 LYS A 89 3.271 0.903 -14.759 1.00 60.21 H new ATOM 0 HE2 LYS A 89 5.031 2.419 -15.706 1.00 72.14 H new ATOM 0 HE3 LYS A 89 6.197 1.117 -15.586 1.00 72.14 H new ATOM 0 HZ1 LYS A 89 5.274 1.264 -17.803 1.00 53.45 H new ATOM 0 HZ2 LYS A 89 4.830 -0.210 -17.087 1.00 53.45 H new ATOM 0 HZ3 LYS A 89 3.700 1.052 -17.203 1.00 53.45 H new ATOM 1392 N ASN A 90 3.474 5.365 -11.074 1.00 73.30 N ATOM 1393 CA ASN A 90 3.150 6.801 -11.098 1.00 2.24 C ATOM 1394 C ASN A 90 4.155 7.641 -10.287 1.00 61.54 C ATOM 1395 O ASN A 90 4.730 8.599 -10.802 1.00 3.42 O ATOM 1396 CB ASN A 90 1.734 7.051 -10.568 1.00 72.11 C ATOM 1397 CG ASN A 90 0.668 6.298 -11.347 1.00 60.35 C ATOM 1398 OD1 ASN A 90 0.879 5.179 -11.798 1.00 1.22 O ATOM 1399 ND2 ASN A 90 -0.481 6.916 -11.529 1.00 11.52 N ATOM 0 H ASN A 90 2.841 4.796 -10.512 1.00 73.30 H new ATOM 0 HA ASN A 90 3.211 7.114 -12.140 1.00 2.24 H new ATOM 0 HB2 ASN A 90 1.687 6.756 -9.520 1.00 72.11 H new ATOM 0 HB3 ASN A 90 1.520 8.119 -10.609 1.00 72.11 H new ATOM 0 HD21 ASN A 90 -1.226 6.463 -12.058 1.00 11.52 H new ATOM 0 HD22 ASN A 90 -0.626 7.848 -11.141 1.00 11.52 H new ATOM 1406 N GLN A 91 4.351 7.287 -9.017 1.00 14.44 N ATOM 1407 CA GLN A 91 5.247 8.048 -8.132 1.00 34.52 C ATOM 1408 C GLN A 91 6.706 7.583 -8.263 1.00 62.20 C ATOM 1409 O GLN A 91 7.016 6.410 -8.050 1.00 21.14 O ATOM 1410 CB GLN A 91 4.793 7.921 -6.670 1.00 3.13 C ATOM 1411 CG GLN A 91 5.686 8.676 -5.688 1.00 51.11 C ATOM 1412 CD GLN A 91 5.232 8.542 -4.245 1.00 40.32 C ATOM 1413 OE1 GLN A 91 4.648 7.539 -3.851 1.00 42.23 O ATOM 1414 NE2 GLN A 91 5.499 9.554 -3.441 1.00 3.23 N ATOM 0 H GLN A 91 3.906 6.483 -8.575 1.00 14.44 H new ATOM 0 HA GLN A 91 5.195 9.093 -8.439 1.00 34.52 H new ATOM 0 HB2 GLN A 91 3.772 8.293 -6.581 1.00 3.13 H new ATOM 0 HB3 GLN A 91 4.773 6.867 -6.394 1.00 3.13 H new ATOM 0 HG2 GLN A 91 6.707 8.306 -5.777 1.00 51.11 H new ATOM 0 HG3 GLN A 91 5.704 9.731 -5.960 1.00 51.11 H new ATOM 0 HE21 GLN A 91 5.987 10.375 -3.799 1.00 3.23 H new ATOM 0 HE22 GLN A 91 5.218 9.515 -2.461 1.00 3.23 H new ATOM 1423 N ASN A 92 7.602 8.515 -8.582 1.00 53.15 N ATOM 1424 CA ASN A 92 9.027 8.202 -8.767 1.00 0.41 C ATOM 1425 C ASN A 92 9.784 8.164 -7.427 1.00 21.34 C ATOM 1426 O ASN A 92 10.816 8.818 -7.268 1.00 24.44 O ATOM 1427 CB ASN A 92 9.667 9.228 -9.709 1.00 24.24 C ATOM 1428 CG ASN A 92 9.002 9.249 -11.070 1.00 41.05 C ATOM 1429 OD1 ASN A 92 8.082 10.026 -11.317 1.00 33.43 O ATOM 1430 ND2 ASN A 92 9.450 8.391 -11.963 1.00 33.41 N ATOM 0 H ASN A 92 7.370 9.499 -8.719 1.00 53.15 H new ATOM 0 HA ASN A 92 9.096 7.208 -9.209 1.00 0.41 H new ATOM 0 HB2 ASN A 92 9.604 10.219 -9.260 1.00 24.24 H new ATOM 0 HB3 ASN A 92 10.726 8.999 -9.828 1.00 24.24 H new ATOM 0 HD21 ASN A 92 9.032 8.357 -12.893 1.00 33.41 H new ATOM 0 HD22 ASN A 92 10.215 7.760 -11.725 1.00 33.41 H new ATOM 1437 N SER A 93 9.271 7.375 -6.478 1.00 33.14 N ATOM 1438 CA SER A 93 9.881 7.230 -5.141 1.00 12.44 C ATOM 1439 C SER A 93 9.807 8.535 -4.322 1.00 3.21 C ATOM 1440 O SER A 93 10.011 9.632 -4.845 1.00 45.10 O ATOM 1441 CB SER A 93 11.343 6.761 -5.252 1.00 0.55 C ATOM 1442 OG SER A 93 11.930 6.581 -3.973 1.00 24.20 O ATOM 0 H SER A 93 8.426 6.819 -6.608 1.00 33.14 H new ATOM 0 HA SER A 93 9.302 6.473 -4.612 1.00 12.44 H new ATOM 0 HB2 SER A 93 11.384 5.824 -5.808 1.00 0.55 H new ATOM 0 HB3 SER A 93 11.919 7.493 -5.818 1.00 0.55 H new ATOM 0 HG SER A 93 11.339 6.033 -3.416 1.00 24.20 H new ATOM 1448 N TRP A 94 9.512 8.409 -3.029 1.00 72.23 N ATOM 1449 CA TRP A 94 9.427 9.571 -2.129 1.00 1.31 C ATOM 1450 C TRP A 94 10.644 9.636 -1.192 1.00 51.14 C ATOM 1451 O TRP A 94 11.461 8.719 -1.158 1.00 65.14 O ATOM 1452 CB TRP A 94 8.124 9.514 -1.310 1.00 44.13 C ATOM 1453 CG TRP A 94 8.011 8.305 -0.419 1.00 32.41 C ATOM 1454 CD1 TRP A 94 8.325 8.230 0.911 1.00 43.23 C ATOM 1455 CD2 TRP A 94 7.542 7.002 -0.790 1.00 32.44 C ATOM 1456 NE1 TRP A 94 8.087 6.962 1.380 1.00 12.14 N ATOM 1457 CE2 TRP A 94 7.607 6.190 0.360 1.00 43.24 C ATOM 1458 CE3 TRP A 94 7.079 6.442 -1.983 1.00 33.21 C ATOM 1459 CZ2 TRP A 94 7.223 4.852 0.350 1.00 45.12 C ATOM 1460 CZ3 TRP A 94 6.698 5.115 -1.991 1.00 31.10 C ATOM 1461 CH2 TRP A 94 6.773 4.332 -0.833 1.00 1.42 C ATOM 0 H TRP A 94 9.327 7.514 -2.575 1.00 72.23 H new ATOM 0 HA TRP A 94 9.423 10.474 -2.739 1.00 1.31 H new ATOM 0 HB2 TRP A 94 8.053 10.412 -0.697 1.00 44.13 H new ATOM 0 HB3 TRP A 94 7.276 9.528 -1.995 1.00 44.13 H new ATOM 0 HD1 TRP A 94 8.704 9.049 1.505 1.00 43.23 H new ATOM 0 HE1 TRP A 94 8.244 6.646 2.337 1.00 12.14 H new ATOM 0 HE3 TRP A 94 7.020 7.036 -2.883 1.00 33.21 H new ATOM 0 HZ2 TRP A 94 7.278 4.247 1.243 1.00 45.12 H new ATOM 0 HZ3 TRP A 94 6.336 4.673 -2.907 1.00 31.10 H new ATOM 0 HH2 TRP A 94 6.469 3.296 -0.874 1.00 1.42 H new ATOM 1472 N GLY A 95 10.772 10.730 -0.446 1.00 22.22 N ATOM 1473 CA GLY A 95 11.864 10.848 0.519 1.00 22.32 C ATOM 1474 C GLY A 95 12.270 12.293 0.795 1.00 13.21 C ATOM 1475 O GLY A 95 12.916 12.935 -0.035 1.00 42.04 O ATOM 0 H GLY A 95 10.146 11.535 -0.488 1.00 22.22 H new ATOM 0 HA2 GLY A 95 11.565 10.376 1.455 1.00 22.32 H new ATOM 0 HA3 GLY A 95 12.729 10.299 0.147 1.00 22.32 H new ATOM 1479 N THR A 96 11.893 12.809 1.967 1.00 24.41 N ATOM 1480 CA THR A 96 12.249 14.185 2.359 1.00 24.22 C ATOM 1481 C THR A 96 12.356 14.349 3.886 1.00 23.25 C ATOM 1482 O THR A 96 13.352 14.869 4.392 1.00 11.54 O ATOM 1483 CB THR A 96 11.235 15.223 1.802 1.00 0.11 C ATOM 1484 OG1 THR A 96 11.475 16.514 2.384 1.00 72.24 O ATOM 1485 CG2 THR A 96 9.792 14.795 2.068 1.00 33.32 C ATOM 0 H THR A 96 11.344 12.302 2.662 1.00 24.41 H new ATOM 0 HA THR A 96 13.229 14.374 1.922 1.00 24.22 H new ATOM 0 HB THR A 96 11.378 15.279 0.723 1.00 0.11 H new ATOM 0 HG1 THR A 96 10.831 17.160 2.024 1.00 72.24 H new ATOM 0 HG21 THR A 96 9.110 15.544 1.665 1.00 33.32 H new ATOM 0 HG22 THR A 96 9.602 13.836 1.587 1.00 33.32 H new ATOM 0 HG23 THR A 96 9.633 14.700 3.142 1.00 33.32 H new ATOM 1493 N GLY A 97 11.338 13.898 4.618 1.00 61.44 N ATOM 1494 CA GLY A 97 11.319 14.063 6.071 1.00 0.44 C ATOM 1495 C GLY A 97 9.931 14.411 6.599 1.00 33.33 C ATOM 1496 O GLY A 97 9.586 14.081 7.733 1.00 40.40 O ATOM 0 H GLY A 97 10.523 13.420 4.234 1.00 61.44 H new ATOM 0 HA2 GLY A 97 11.664 13.143 6.543 1.00 0.44 H new ATOM 0 HA3 GLY A 97 12.020 14.849 6.354 1.00 0.44 H new ATOM 1500 N GLU A 98 9.140 15.085 5.769 1.00 15.43 N ATOM 1501 CA GLU A 98 7.758 15.432 6.113 1.00 55.21 C ATOM 1502 C GLU A 98 6.858 14.183 6.112 1.00 35.43 C ATOM 1503 O GLU A 98 7.046 13.272 5.298 1.00 61.02 O ATOM 1504 CB GLU A 98 7.219 16.471 5.120 1.00 44.21 C ATOM 1505 CG GLU A 98 8.073 17.734 5.023 1.00 71.11 C ATOM 1506 CD GLU A 98 8.145 18.508 6.333 1.00 64.41 C ATOM 1507 OE1 GLU A 98 7.208 19.276 6.623 1.00 61.21 O ATOM 1508 OE2 GLU A 98 9.139 18.353 7.078 1.00 62.13 O ATOM 0 H GLU A 98 9.432 15.405 4.846 1.00 15.43 H new ATOM 0 HA GLU A 98 7.750 15.855 7.118 1.00 55.21 H new ATOM 0 HB2 GLU A 98 7.150 16.014 4.133 1.00 44.21 H new ATOM 0 HB3 GLU A 98 6.207 16.750 5.414 1.00 44.21 H new ATOM 0 HG2 GLU A 98 9.082 17.461 4.713 1.00 71.11 H new ATOM 0 HG3 GLU A 98 7.666 18.382 4.247 1.00 71.11 H new ATOM 1515 N ASP A 99 5.884 14.143 7.016 1.00 54.03 N ATOM 1516 CA ASP A 99 5.011 12.974 7.154 1.00 35.12 C ATOM 1517 C ASP A 99 3.961 12.884 6.038 1.00 70.03 C ATOM 1518 O ASP A 99 2.968 13.619 6.030 1.00 71.11 O ATOM 1519 CB ASP A 99 4.327 12.983 8.519 1.00 62.22 C ATOM 1520 CG ASP A 99 5.334 12.919 9.649 1.00 74.43 C ATOM 1521 OD1 ASP A 99 5.843 11.814 9.927 1.00 44.51 O ATOM 1522 OD2 ASP A 99 5.630 13.977 10.246 1.00 12.00 O ATOM 0 H ASP A 99 5.677 14.903 7.664 1.00 54.03 H new ATOM 0 HA ASP A 99 5.646 12.092 7.068 1.00 35.12 H new ATOM 0 HB2 ASP A 99 3.725 13.886 8.619 1.00 62.22 H new ATOM 0 HB3 ASP A 99 3.645 12.136 8.590 1.00 62.22 H new ATOM 1527 N VAL A 100 4.196 11.976 5.096 1.00 54.45 N ATOM 1528 CA VAL A 100 3.241 11.701 4.020 1.00 70.04 C ATOM 1529 C VAL A 100 2.131 10.748 4.501 1.00 74.34 C ATOM 1530 O VAL A 100 2.410 9.672 5.035 1.00 3.12 O ATOM 1531 CB VAL A 100 3.955 11.108 2.775 1.00 43.43 C ATOM 1532 CG1 VAL A 100 4.797 9.887 3.142 1.00 52.42 C ATOM 1533 CG2 VAL A 100 2.946 10.759 1.684 1.00 53.52 C ATOM 0 H VAL A 100 5.045 11.413 5.054 1.00 54.45 H new ATOM 0 HA VAL A 100 2.785 12.649 3.734 1.00 70.04 H new ATOM 0 HB VAL A 100 4.629 11.872 2.388 1.00 43.43 H new ATOM 0 HG11 VAL A 100 5.282 9.498 2.247 1.00 52.42 H new ATOM 0 HG12 VAL A 100 5.555 10.174 3.871 1.00 52.42 H new ATOM 0 HG13 VAL A 100 4.155 9.118 3.570 1.00 52.42 H new ATOM 0 HG21 VAL A 100 3.470 10.346 0.822 1.00 53.52 H new ATOM 0 HG22 VAL A 100 2.238 10.023 2.065 1.00 53.52 H new ATOM 0 HG23 VAL A 100 2.409 11.659 1.384 1.00 53.52 H new ATOM 1543 N LYS A 101 0.873 11.144 4.312 1.00 62.25 N ATOM 1544 CA LYS A 101 -0.263 10.360 4.813 1.00 25.12 C ATOM 1545 C LYS A 101 -0.872 9.468 3.718 1.00 73.53 C ATOM 1546 O LYS A 101 -1.405 9.954 2.718 1.00 64.43 O ATOM 1547 CB LYS A 101 -1.328 11.297 5.406 1.00 22.23 C ATOM 1548 CG LYS A 101 -2.529 10.566 6.015 1.00 11.45 C ATOM 1549 CD LYS A 101 -3.387 11.491 6.882 1.00 11.51 C ATOM 1550 CE LYS A 101 -3.946 12.672 6.093 1.00 30.01 C ATOM 1551 NZ LYS A 101 -4.673 13.626 6.973 1.00 1.41 N ATOM 0 H LYS A 101 0.612 11.998 3.819 1.00 62.25 H new ATOM 0 HA LYS A 101 0.107 9.699 5.597 1.00 25.12 H new ATOM 0 HB2 LYS A 101 -0.865 11.917 6.174 1.00 22.23 H new ATOM 0 HB3 LYS A 101 -1.682 11.969 4.624 1.00 22.23 H new ATOM 0 HG2 LYS A 101 -3.141 10.148 5.216 1.00 11.45 H new ATOM 0 HG3 LYS A 101 -2.176 9.729 6.618 1.00 11.45 H new ATOM 0 HD2 LYS A 101 -4.211 10.921 7.312 1.00 11.51 H new ATOM 0 HD3 LYS A 101 -2.789 11.863 7.714 1.00 11.51 H new ATOM 0 HE2 LYS A 101 -3.131 13.191 5.588 1.00 30.01 H new ATOM 0 HE3 LYS A 101 -4.619 12.306 5.318 1.00 30.01 H new ATOM 0 HZ1 LYS A 101 -5.039 14.415 6.403 1.00 1.41 H new ATOM 0 HZ2 LYS A 101 -5.466 13.137 7.435 1.00 1.41 H new ATOM 0 HZ3 LYS A 101 -4.024 13.994 7.697 1.00 1.41 H new ATOM 1565 N VAL A 102 -0.783 8.155 3.921 1.00 32.40 N ATOM 1566 CA VAL A 102 -1.314 7.174 2.968 1.00 33.25 C ATOM 1567 C VAL A 102 -2.727 6.707 3.368 1.00 5.43 C ATOM 1568 O VAL A 102 -2.998 6.422 4.538 1.00 63.35 O ATOM 1569 CB VAL A 102 -0.363 5.953 2.842 1.00 75.44 C ATOM 1570 CG1 VAL A 102 -0.091 5.329 4.208 1.00 13.32 C ATOM 1571 CG2 VAL A 102 -0.928 4.919 1.867 1.00 2.13 C ATOM 0 H VAL A 102 -0.345 7.740 4.743 1.00 32.40 H new ATOM 0 HA VAL A 102 -1.381 7.667 1.998 1.00 33.25 H new ATOM 0 HB VAL A 102 0.587 6.306 2.442 1.00 75.44 H new ATOM 0 HG11 VAL A 102 0.578 4.476 4.092 1.00 13.32 H new ATOM 0 HG12 VAL A 102 0.374 6.069 4.860 1.00 13.32 H new ATOM 0 HG13 VAL A 102 -1.030 4.996 4.650 1.00 13.32 H new ATOM 0 HG21 VAL A 102 -0.244 4.074 1.796 1.00 2.13 H new ATOM 0 HG22 VAL A 102 -1.897 4.572 2.226 1.00 2.13 H new ATOM 0 HG23 VAL A 102 -1.047 5.373 0.883 1.00 2.13 H new ATOM 1581 N ILE A 103 -3.622 6.642 2.386 1.00 42.33 N ATOM 1582 CA ILE A 103 -5.024 6.273 2.614 1.00 54.33 C ATOM 1583 C ILE A 103 -5.388 4.962 1.889 1.00 31.11 C ATOM 1584 O ILE A 103 -4.941 4.717 0.768 1.00 34.35 O ATOM 1585 CB ILE A 103 -5.982 7.388 2.113 1.00 74.11 C ATOM 1586 CG1 ILE A 103 -5.545 8.777 2.628 1.00 63.31 C ATOM 1587 CG2 ILE A 103 -7.422 7.084 2.530 1.00 24.22 C ATOM 1588 CD1 ILE A 103 -5.554 8.920 4.137 1.00 4.14 C ATOM 0 H ILE A 103 -3.401 6.842 1.411 1.00 42.33 H new ATOM 0 HA ILE A 103 -5.140 6.138 3.689 1.00 54.33 H new ATOM 0 HB ILE A 103 -5.933 7.408 1.024 1.00 74.11 H new ATOM 0 HG12 ILE A 103 -4.540 8.986 2.262 1.00 63.31 H new ATOM 0 HG13 ILE A 103 -6.204 9.533 2.200 1.00 63.31 H new ATOM 0 HG21 ILE A 103 -8.080 7.876 2.171 1.00 24.22 H new ATOM 0 HG22 ILE A 103 -7.732 6.132 2.100 1.00 24.22 H new ATOM 0 HG23 ILE A 103 -7.482 7.028 3.617 1.00 24.22 H new ATOM 0 HD11 ILE A 103 -5.234 9.926 4.409 1.00 4.14 H new ATOM 0 HD12 ILE A 103 -6.562 8.746 4.513 1.00 4.14 H new ATOM 0 HD13 ILE A 103 -4.872 8.191 4.576 1.00 4.14 H new ATOM 1600 N LEU A 104 -6.207 4.126 2.528 1.00 10.02 N ATOM 1601 CA LEU A 104 -6.688 2.882 1.908 1.00 33.21 C ATOM 1602 C LEU A 104 -8.212 2.902 1.695 1.00 63.44 C ATOM 1603 O LEU A 104 -8.987 2.994 2.654 1.00 15.51 O ATOM 1604 CB LEU A 104 -6.308 1.662 2.762 1.00 42.33 C ATOM 1605 CG LEU A 104 -4.802 1.388 2.903 1.00 2.53 C ATOM 1606 CD1 LEU A 104 -4.564 0.123 3.725 1.00 2.44 C ATOM 1607 CD2 LEU A 104 -4.135 1.275 1.531 1.00 2.32 C ATOM 0 H LEU A 104 -6.553 4.284 3.474 1.00 10.02 H new ATOM 0 HA LEU A 104 -6.205 2.807 0.934 1.00 33.21 H new ATOM 0 HB2 LEU A 104 -6.729 1.794 3.759 1.00 42.33 H new ATOM 0 HB3 LEU A 104 -6.780 0.779 2.331 1.00 42.33 H new ATOM 0 HG LEU A 104 -4.351 2.230 3.427 1.00 2.53 H new ATOM 0 HD11 LEU A 104 -3.493 -0.056 3.815 1.00 2.44 H new ATOM 0 HD12 LEU A 104 -4.996 0.248 4.718 1.00 2.44 H new ATOM 0 HD13 LEU A 104 -5.034 -0.727 3.229 1.00 2.44 H new ATOM 0 HD21 LEU A 104 -3.070 1.081 1.659 1.00 2.32 H new ATOM 0 HD22 LEU A 104 -4.588 0.456 0.972 1.00 2.32 H new ATOM 0 HD23 LEU A 104 -4.271 2.207 0.983 1.00 2.32 H new ATOM 1619 N LYS A 105 -8.634 2.814 0.432 1.00 73.05 N ATOM 1620 CA LYS A 105 -10.059 2.719 0.082 1.00 33.04 C ATOM 1621 C LYS A 105 -10.329 1.484 -0.794 1.00 1.42 C ATOM 1622 O LYS A 105 -9.414 0.934 -1.404 1.00 11.22 O ATOM 1623 CB LYS A 105 -10.533 3.988 -0.654 1.00 11.02 C ATOM 1624 CG LYS A 105 -10.696 5.215 0.244 1.00 23.40 C ATOM 1625 CD LYS A 105 -11.353 6.374 -0.505 1.00 33.41 C ATOM 1626 CE LYS A 105 -11.773 7.506 0.429 1.00 13.42 C ATOM 1627 NZ LYS A 105 -10.610 8.215 1.027 1.00 22.23 N ATOM 0 H LYS A 105 -8.007 2.806 -0.373 1.00 73.05 H new ATOM 0 HA LYS A 105 -10.618 2.621 1.013 1.00 33.04 H new ATOM 0 HB2 LYS A 105 -9.820 4.223 -1.444 1.00 11.02 H new ATOM 0 HB3 LYS A 105 -11.487 3.778 -1.138 1.00 11.02 H new ATOM 0 HG2 LYS A 105 -11.300 4.953 1.113 1.00 23.40 H new ATOM 0 HG3 LYS A 105 -9.720 5.527 0.616 1.00 23.40 H new ATOM 0 HD2 LYS A 105 -10.659 6.761 -1.251 1.00 33.41 H new ATOM 0 HD3 LYS A 105 -12.227 6.007 -1.043 1.00 33.41 H new ATOM 0 HE2 LYS A 105 -12.384 8.220 -0.123 1.00 13.42 H new ATOM 0 HE3 LYS A 105 -12.397 7.102 1.226 1.00 13.42 H new ATOM 0 HZ1 LYS A 105 -10.451 7.867 1.994 1.00 22.23 H new ATOM 0 HZ2 LYS A 105 -9.762 8.037 0.452 1.00 22.23 H new ATOM 0 HZ3 LYS A 105 -10.802 9.237 1.053 1.00 22.23 H new ATOM 1641 N ASN A 106 -11.585 1.049 -0.847 1.00 10.10 N ATOM 1642 CA ASN A 106 -11.979 -0.088 -1.695 1.00 31.52 C ATOM 1643 C ASN A 106 -12.610 0.378 -3.021 1.00 73.45 C ATOM 1644 O ASN A 106 -12.729 1.576 -3.279 1.00 71.54 O ATOM 1645 CB ASN A 106 -12.961 -0.992 -0.945 1.00 31.34 C ATOM 1646 CG ASN A 106 -12.363 -1.575 0.319 1.00 71.24 C ATOM 1647 OD1 ASN A 106 -12.444 -0.988 1.391 1.00 23.13 O ATOM 1648 ND2 ASN A 106 -11.757 -2.738 0.205 1.00 24.23 N ATOM 0 H ASN A 106 -12.352 1.462 -0.316 1.00 10.10 H new ATOM 0 HA ASN A 106 -11.074 -0.648 -1.932 1.00 31.52 H new ATOM 0 HB2 ASN A 106 -13.854 -0.421 -0.691 1.00 31.34 H new ATOM 0 HB3 ASN A 106 -13.277 -1.803 -1.601 1.00 31.34 H new ATOM 0 HD21 ASN A 106 -11.337 -3.177 1.025 1.00 24.23 H new ATOM 0 HD22 ASN A 106 -11.707 -3.200 -0.703 1.00 24.23 H new ATOM 1655 N SER A 107 -13.025 -0.588 -3.845 1.00 35.42 N ATOM 1656 CA SER A 107 -13.623 -0.318 -5.170 1.00 34.30 C ATOM 1657 C SER A 107 -14.765 0.712 -5.120 1.00 74.12 C ATOM 1658 O SER A 107 -14.849 1.599 -5.969 1.00 50.23 O ATOM 1659 CB SER A 107 -14.154 -1.622 -5.779 1.00 54.11 C ATOM 1660 OG SER A 107 -15.153 -2.203 -4.950 1.00 60.02 O ATOM 0 H SER A 107 -12.959 -1.581 -3.619 1.00 35.42 H new ATOM 0 HA SER A 107 -12.829 0.104 -5.787 1.00 34.30 H new ATOM 0 HB2 SER A 107 -14.567 -1.424 -6.768 1.00 54.11 H new ATOM 0 HB3 SER A 107 -13.333 -2.326 -5.912 1.00 54.11 H new ATOM 0 HG SER A 107 -15.477 -3.032 -5.360 1.00 60.02 H new ATOM 1666 N GLN A 108 -15.645 0.591 -4.127 1.00 41.12 N ATOM 1667 CA GLN A 108 -16.799 1.493 -3.994 1.00 1.14 C ATOM 1668 C GLN A 108 -16.400 2.883 -3.460 1.00 71.42 C ATOM 1669 O GLN A 108 -17.254 3.753 -3.280 1.00 73.42 O ATOM 1670 CB GLN A 108 -17.858 0.860 -3.075 1.00 12.24 C ATOM 1671 CG GLN A 108 -18.518 -0.388 -3.658 1.00 20.20 C ATOM 1672 CD GLN A 108 -19.572 -0.997 -2.740 1.00 24.33 C ATOM 1673 OE1 GLN A 108 -20.563 -1.557 -3.201 1.00 34.21 O ATOM 1674 NE2 GLN A 108 -19.360 -0.919 -1.440 1.00 43.35 N ATOM 0 H GLN A 108 -15.585 -0.122 -3.400 1.00 41.12 H new ATOM 0 HA GLN A 108 -17.214 1.637 -4.992 1.00 1.14 H new ATOM 0 HB2 GLN A 108 -17.392 0.602 -2.124 1.00 12.24 H new ATOM 0 HB3 GLN A 108 -18.629 1.601 -2.862 1.00 12.24 H new ATOM 0 HG2 GLN A 108 -18.980 -0.134 -4.612 1.00 20.20 H new ATOM 0 HG3 GLN A 108 -17.750 -1.134 -3.864 1.00 20.20 H new ATOM 0 HE21 GLN A 108 -18.528 -0.447 -1.086 1.00 43.35 H new ATOM 0 HE22 GLN A 108 -20.029 -1.330 -0.789 1.00 43.35 H new ATOM 1683 N GLY A 109 -15.104 3.094 -3.225 1.00 52.50 N ATOM 1684 CA GLY A 109 -14.630 4.363 -2.674 1.00 30.30 C ATOM 1685 C GLY A 109 -14.774 4.448 -1.156 1.00 34.42 C ATOM 1686 O GLY A 109 -14.605 5.515 -0.564 1.00 20.44 O ATOM 0 H GLY A 109 -14.370 2.409 -3.406 1.00 52.50 H new ATOM 0 HA2 GLY A 109 -13.582 4.500 -2.942 1.00 30.30 H new ATOM 0 HA3 GLY A 109 -15.186 5.181 -3.132 1.00 30.30 H new ATOM 1690 N GLU A 110 -15.092 3.319 -0.532 1.00 53.21 N ATOM 1691 CA GLU A 110 -15.265 3.243 0.923 1.00 33.32 C ATOM 1692 C GLU A 110 -13.901 3.183 1.641 1.00 14.12 C ATOM 1693 O GLU A 110 -12.983 2.491 1.199 1.00 34.34 O ATOM 1694 CB GLU A 110 -16.133 2.023 1.265 1.00 14.13 C ATOM 1695 CG GLU A 110 -15.556 0.692 0.779 1.00 11.41 C ATOM 1696 CD GLU A 110 -16.617 -0.378 0.549 1.00 64.24 C ATOM 1697 OE1 GLU A 110 -17.462 -0.596 1.445 1.00 61.34 O ATOM 1698 OE2 GLU A 110 -16.632 -0.986 -0.547 1.00 0.22 O ATOM 0 H GLU A 110 -15.238 2.432 -1.014 1.00 53.21 H new ATOM 0 HA GLU A 110 -15.769 4.144 1.273 1.00 33.32 H new ATOM 0 HB2 GLU A 110 -16.266 1.976 2.346 1.00 14.13 H new ATOM 0 HB3 GLU A 110 -17.122 2.160 0.828 1.00 14.13 H new ATOM 0 HG2 GLU A 110 -15.010 0.858 -0.150 1.00 11.41 H new ATOM 0 HG3 GLU A 110 -14.835 0.328 1.511 1.00 11.41 H new ATOM 1705 N GLU A 111 -13.773 3.921 2.744 1.00 4.12 N ATOM 1706 CA GLU A 111 -12.484 4.083 3.439 1.00 13.23 C ATOM 1707 C GLU A 111 -12.395 3.197 4.696 1.00 61.33 C ATOM 1708 O GLU A 111 -13.354 3.097 5.467 1.00 42.12 O ATOM 1709 CB GLU A 111 -12.300 5.562 3.805 1.00 73.31 C ATOM 1710 CG GLU A 111 -10.941 5.917 4.393 1.00 4.54 C ATOM 1711 CD GLU A 111 -10.774 7.418 4.564 1.00 55.14 C ATOM 1712 OE1 GLU A 111 -11.178 7.955 5.616 1.00 23.42 O ATOM 1713 OE2 GLU A 111 -10.250 8.068 3.638 1.00 21.23 O ATOM 0 H GLU A 111 -14.547 4.421 3.182 1.00 4.12 H new ATOM 0 HA GLU A 111 -11.684 3.763 2.771 1.00 13.23 H new ATOM 0 HB2 GLU A 111 -12.460 6.164 2.911 1.00 73.31 H new ATOM 0 HB3 GLU A 111 -13.073 5.842 4.521 1.00 73.31 H new ATOM 0 HG2 GLU A 111 -10.824 5.426 5.359 1.00 4.54 H new ATOM 0 HG3 GLU A 111 -10.153 5.535 3.744 1.00 4.54 H new ATOM 1720 N VAL A 112 -11.238 2.554 4.900 1.00 53.51 N ATOM 1721 CA VAL A 112 -11.056 1.619 6.029 1.00 71.31 C ATOM 1722 C VAL A 112 -9.804 1.933 6.877 1.00 22.43 C ATOM 1723 O VAL A 112 -9.875 1.975 8.108 1.00 60.22 O ATOM 1724 CB VAL A 112 -10.983 0.146 5.536 1.00 25.21 C ATOM 1725 CG1 VAL A 112 -12.319 -0.296 4.940 1.00 23.22 C ATOM 1726 CG2 VAL A 112 -9.858 -0.035 4.516 1.00 3.41 C ATOM 0 H VAL A 112 -10.416 2.660 4.305 1.00 53.51 H new ATOM 0 HA VAL A 112 -11.932 1.751 6.664 1.00 71.31 H new ATOM 0 HB VAL A 112 -10.767 -0.484 6.399 1.00 25.21 H new ATOM 0 HG11 VAL A 112 -12.243 -1.330 4.602 1.00 23.22 H new ATOM 0 HG12 VAL A 112 -13.099 -0.218 5.698 1.00 23.22 H new ATOM 0 HG13 VAL A 112 -12.570 0.344 4.094 1.00 23.22 H new ATOM 0 HG21 VAL A 112 -9.829 -1.074 4.187 1.00 3.41 H new ATOM 0 HG22 VAL A 112 -10.038 0.612 3.658 1.00 3.41 H new ATOM 0 HG23 VAL A 112 -8.905 0.227 4.975 1.00 3.41 H new ATOM 1736 N ALA A 113 -8.659 2.149 6.226 1.00 63.23 N ATOM 1737 CA ALA A 113 -7.393 2.372 6.944 1.00 23.03 C ATOM 1738 C ALA A 113 -6.627 3.589 6.404 1.00 62.40 C ATOM 1739 O ALA A 113 -6.810 3.989 5.253 1.00 73.34 O ATOM 1740 CB ALA A 113 -6.522 1.123 6.863 1.00 71.22 C ATOM 0 H ALA A 113 -8.578 2.175 5.210 1.00 63.23 H new ATOM 0 HA ALA A 113 -7.638 2.580 7.985 1.00 23.03 H new ATOM 0 HB1 ALA A 113 -5.587 1.296 7.396 1.00 71.22 H new ATOM 0 HB2 ALA A 113 -7.048 0.283 7.316 1.00 71.22 H new ATOM 0 HB3 ALA A 113 -6.307 0.896 5.819 1.00 71.22 H new ATOM 1746 N GLN A 114 -5.766 4.169 7.246 1.00 12.13 N ATOM 1747 CA GLN A 114 -4.971 5.347 6.868 1.00 33.10 C ATOM 1748 C GLN A 114 -3.985 5.738 7.979 1.00 31.35 C ATOM 1749 O GLN A 114 -4.251 5.508 9.160 1.00 64.31 O ATOM 1750 CB GLN A 114 -5.902 6.531 6.569 1.00 12.32 C ATOM 1751 CG GLN A 114 -6.713 7.005 7.777 1.00 45.41 C ATOM 1752 CD GLN A 114 -7.773 8.033 7.418 1.00 62.42 C ATOM 1753 OE1 GLN A 114 -8.098 8.914 8.205 1.00 55.12 O ATOM 1754 NE2 GLN A 114 -8.336 7.917 6.232 1.00 22.11 N ATOM 0 H GLN A 114 -5.600 3.842 8.198 1.00 12.13 H new ATOM 0 HA GLN A 114 -4.398 5.092 5.976 1.00 33.10 H new ATOM 0 HB2 GLN A 114 -5.306 7.363 6.195 1.00 12.32 H new ATOM 0 HB3 GLN A 114 -6.589 6.248 5.772 1.00 12.32 H new ATOM 0 HG2 GLN A 114 -7.193 6.145 8.245 1.00 45.41 H new ATOM 0 HG3 GLN A 114 -6.036 7.433 8.516 1.00 45.41 H new ATOM 0 HE21 GLN A 114 -8.043 7.173 5.599 1.00 22.11 H new ATOM 0 HE22 GLN A 114 -9.064 8.572 5.947 1.00 22.11 H new ATOM 1763 N ARG A 115 -2.845 6.325 7.597 1.00 31.31 N ATOM 1764 CA ARG A 115 -1.868 6.838 8.574 1.00 4.15 C ATOM 1765 C ARG A 115 -0.727 7.605 7.882 1.00 21.22 C ATOM 1766 O ARG A 115 -0.483 7.433 6.688 1.00 21.21 O ATOM 1767 CB ARG A 115 -1.262 5.695 9.412 1.00 55.02 C ATOM 1768 CG ARG A 115 -0.531 6.179 10.668 1.00 32.20 C ATOM 1769 CD ARG A 115 0.411 5.121 11.237 1.00 2.24 C ATOM 1770 NE ARG A 115 1.568 4.896 10.371 1.00 30.42 N ATOM 1771 CZ ARG A 115 2.576 4.121 10.673 1.00 3.31 C ATOM 1772 NH1 ARG A 115 2.620 3.509 11.812 1.00 40.43 N ATOM 1773 NH2 ARG A 115 3.550 3.973 9.836 1.00 42.22 N ATOM 0 H ARG A 115 -2.574 6.458 6.623 1.00 31.31 H new ATOM 0 HA ARG A 115 -2.411 7.519 9.229 1.00 4.15 H new ATOM 0 HB2 ARG A 115 -2.057 5.009 9.705 1.00 55.02 H new ATOM 0 HB3 ARG A 115 -0.567 5.130 8.792 1.00 55.02 H new ATOM 0 HG2 ARG A 115 0.038 7.078 10.430 1.00 32.20 H new ATOM 0 HG3 ARG A 115 -1.263 6.456 11.427 1.00 32.20 H new ATOM 0 HD2 ARG A 115 0.752 5.432 12.224 1.00 2.24 H new ATOM 0 HD3 ARG A 115 -0.132 4.185 11.368 1.00 2.24 H new ATOM 0 HE ARG A 115 1.590 5.376 9.471 1.00 30.42 H new ATOM 0 HH11 ARG A 115 1.863 3.629 12.485 1.00 40.43 H new ATOM 0 HH12 ARG A 115 3.412 2.907 12.037 1.00 40.43 H new ATOM 0 HH21 ARG A 115 3.531 4.461 8.940 1.00 42.22 H new ATOM 0 HH22 ARG A 115 4.337 3.368 10.071 1.00 42.22 H new ATOM 1787 N SER A 116 -0.039 8.456 8.641 1.00 62.42 N ATOM 1788 CA SER A 116 1.170 9.134 8.156 1.00 1.32 C ATOM 1789 C SER A 116 2.420 8.267 8.388 1.00 41.25 C ATOM 1790 O SER A 116 2.322 7.079 8.723 1.00 45.23 O ATOM 1791 CB SER A 116 1.348 10.485 8.870 1.00 53.22 C ATOM 1792 OG SER A 116 1.589 10.311 10.262 1.00 13.21 O ATOM 0 H SER A 116 -0.296 8.696 9.598 1.00 62.42 H new ATOM 0 HA SER A 116 1.051 9.300 7.085 1.00 1.32 H new ATOM 0 HB2 SER A 116 2.179 11.028 8.421 1.00 53.22 H new ATOM 0 HB3 SER A 116 0.455 11.094 8.727 1.00 53.22 H new ATOM 0 HG SER A 116 1.699 11.187 10.687 1.00 13.21 H new ATOM 1798 N THR A 117 3.595 8.859 8.193 1.00 50.24 N ATOM 1799 CA THR A 117 4.866 8.185 8.485 1.00 23.44 C ATOM 1800 C THR A 117 5.291 8.393 9.946 1.00 60.21 C ATOM 1801 O THR A 117 4.503 8.846 10.777 1.00 2.42 O ATOM 1802 CB THR A 117 5.998 8.686 7.552 1.00 52.32 C ATOM 1803 OG1 THR A 117 6.064 10.119 7.570 1.00 22.42 O ATOM 1804 CG2 THR A 117 5.782 8.206 6.123 1.00 43.31 C ATOM 0 H THR A 117 3.698 9.808 7.833 1.00 50.24 H new ATOM 0 HA THR A 117 4.702 7.122 8.311 1.00 23.44 H new ATOM 0 HB THR A 117 6.938 8.276 7.921 1.00 52.32 H new ATOM 0 HG1 THR A 117 5.976 10.439 8.492 1.00 22.42 H new ATOM 0 HG21 THR A 117 6.591 8.572 5.490 1.00 43.31 H new ATOM 0 HG22 THR A 117 5.770 7.116 6.103 1.00 43.31 H new ATOM 0 HG23 THR A 117 4.830 8.586 5.752 1.00 43.31 H new ATOM 1812 N VAL A 118 6.537 8.043 10.260 1.00 24.23 N ATOM 1813 CA VAL A 118 7.061 8.182 11.622 1.00 52.35 C ATOM 1814 C VAL A 118 7.719 9.560 11.833 1.00 3.31 C ATOM 1815 O VAL A 118 8.799 9.835 11.310 1.00 74.31 O ATOM 1816 CB VAL A 118 8.084 7.060 11.941 1.00 35.11 C ATOM 1817 CG1 VAL A 118 8.542 7.134 13.395 1.00 20.53 C ATOM 1818 CG2 VAL A 118 7.493 5.685 11.626 1.00 61.55 C ATOM 0 H VAL A 118 7.205 7.660 9.591 1.00 24.23 H new ATOM 0 HA VAL A 118 6.215 8.094 12.303 1.00 52.35 H new ATOM 0 HB VAL A 118 8.958 7.209 11.307 1.00 35.11 H new ATOM 0 HG11 VAL A 118 9.258 6.336 13.592 1.00 20.53 H new ATOM 0 HG12 VAL A 118 9.014 8.099 13.579 1.00 20.53 H new ATOM 0 HG13 VAL A 118 7.681 7.019 14.054 1.00 20.53 H new ATOM 0 HG21 VAL A 118 8.226 4.912 11.857 1.00 61.55 H new ATOM 0 HG22 VAL A 118 6.598 5.527 12.228 1.00 61.55 H new ATOM 0 HG23 VAL A 118 7.233 5.634 10.569 1.00 61.55 H new