USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 495 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 50 ASN : amide:sc= -0.241 K(o=-1.3,f=-2.4!) USER MOD Set 1.2: A 58 GLN : amide:sc= -1.09 K(o=-1.3,f=-4.9!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-4.2) USER MOD Single : A 62 GLN : amide:sc= -0.389 K(o=-0.39,f=-2) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.017) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= -0.0487 (180deg=-0.137) USER MOD Single : A 72 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 17 7.866 3.806 -10.211 1.00 0.00 N ATOM 181 CA ILE A 17 7.587 4.402 -8.910 1.00 0.00 C ATOM 182 C ILE A 17 8.266 5.761 -8.771 1.00 0.00 C ATOM 183 O ILE A 17 9.401 5.946 -9.211 1.00 0.00 O ATOM 184 CB ILE A 17 8.051 3.489 -7.760 1.00 0.00 C ATOM 185 CG1 ILE A 17 7.414 2.104 -7.892 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.704 4.112 -6.416 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.922 1.106 -6.874 1.00 0.00 C ATOM 0 HA ILE A 17 6.506 4.530 -8.847 1.00 0.00 H new ATOM 0 HB ILE A 17 9.134 3.378 -7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.333 2.199 -7.788 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.605 1.719 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.038 3.455 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.200 5.078 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.625 4.250 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.427 0.147 -7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.999 0.982 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.706 1.469 -5.869 1.00 0.00 H new ATOM 199 N ILE A 18 7.565 6.706 -8.155 1.00 0.00 N ATOM 200 CA ILE A 18 8.101 8.047 -7.955 1.00 0.00 C ATOM 201 C ILE A 18 8.591 8.235 -6.524 1.00 0.00 C ATOM 202 O ILE A 18 7.906 7.897 -5.558 1.00 0.00 O ATOM 203 CB ILE A 18 7.050 9.127 -8.273 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.525 8.955 -9.700 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.644 10.515 -8.086 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.418 9.921 -10.057 1.00 0.00 C ATOM 0 H ILE A 18 6.624 6.568 -7.786 1.00 0.00 H new ATOM 0 HA ILE A 18 8.941 8.157 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 18 6.214 9.014 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.350 9.086 -10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.160 7.935 -9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.889 11.268 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.974 10.634 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.495 10.640 -8.756 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.095 9.741 -11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.576 9.775 -9.380 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.784 10.944 -9.966 1.00 0.00 H new ATOM 218 N PRO A 19 9.804 8.789 -6.381 1.00 0.00 N ATOM 219 CA PRO A 19 10.412 9.038 -5.070 1.00 0.00 C ATOM 220 C PRO A 19 9.705 10.152 -4.305 1.00 0.00 C ATOM 221 O PRO A 19 9.878 11.337 -4.587 1.00 0.00 O ATOM 222 CB PRO A 19 11.844 9.452 -5.416 1.00 0.00 C ATOM 223 CG PRO A 19 11.756 10.002 -6.798 1.00 0.00 C ATOM 224 CD PRO A 19 10.675 9.216 -7.488 1.00 0.00 C ATOM 0 HA PRO A 19 10.351 8.165 -4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.220 10.198 -4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.524 8.601 -5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.515 11.065 -6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.707 9.899 -7.320 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.135 9.826 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.082 8.363 -8.031 1.00 0.00 H new ATOM 232 N PRO A 20 8.889 9.764 -3.314 1.00 0.00 N ATOM 233 CA PRO A 20 8.140 10.716 -2.487 1.00 0.00 C ATOM 234 C PRO A 20 9.047 11.517 -1.560 1.00 0.00 C ATOM 235 O PRO A 20 10.222 11.198 -1.374 1.00 0.00 O ATOM 236 CB PRO A 20 7.202 9.819 -1.675 1.00 0.00 C ATOM 237 CG PRO A 20 7.892 8.500 -1.622 1.00 0.00 C ATOM 238 CD PRO A 20 8.634 8.367 -2.923 1.00 0.00 C ATOM 0 HA PRO A 20 7.622 11.461 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.038 10.220 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.224 9.736 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.577 8.452 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.174 7.689 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.562 7.808 -2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.041 7.842 -3.672 1.00 0.00 H new ATOM 246 N PRO A 21 8.492 12.582 -0.962 1.00 0.00 N ATOM 247 CA PRO A 21 9.234 13.449 -0.043 1.00 0.00 C ATOM 248 C PRO A 21 9.558 12.755 1.276 1.00 0.00 C ATOM 249 O PRO A 21 9.016 11.697 1.597 1.00 0.00 O ATOM 250 CB PRO A 21 8.276 14.620 0.191 1.00 0.00 C ATOM 251 CG PRO A 21 6.921 14.057 -0.063 1.00 0.00 C ATOM 252 CD PRO A 21 7.098 13.020 -1.138 1.00 0.00 C ATOM 0 HA PRO A 21 10.200 13.745 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.361 15.004 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.493 15.449 -0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.507 13.614 0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.228 14.836 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.399 12.193 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.930 13.437 -2.131 1.00 0.00 H new ATOM 260 N PRO A 22 10.461 13.363 2.060 1.00 0.00 N ATOM 261 CA PRO A 22 10.876 12.820 3.357 1.00 0.00 C ATOM 262 C PRO A 22 9.768 12.904 4.401 1.00 0.00 C ATOM 263 O PRO A 22 9.864 12.303 5.472 1.00 0.00 O ATOM 264 CB PRO A 22 12.054 13.713 3.754 1.00 0.00 C ATOM 265 CG PRO A 22 11.817 14.995 3.034 1.00 0.00 C ATOM 266 CD PRO A 22 11.146 14.626 1.740 1.00 0.00 C ATOM 0 HA PRO A 22 11.128 11.761 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.089 13.865 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.005 13.266 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.188 15.663 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.755 15.519 2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.443 15.394 1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.869 14.498 0.934 1.00 0.00 H new ATOM 274 N ASP A 23 8.717 13.652 4.083 1.00 0.00 N ATOM 275 CA ASP A 23 7.590 13.813 4.994 1.00 0.00 C ATOM 276 C ASP A 23 6.589 12.674 4.827 1.00 0.00 C ATOM 277 O ASP A 23 5.846 12.345 5.752 1.00 0.00 O ATOM 278 CB ASP A 23 6.898 15.156 4.752 1.00 0.00 C ATOM 279 CG ASP A 23 6.993 16.080 5.949 1.00 0.00 C ATOM 280 OD1 ASP A 23 8.090 16.628 6.191 1.00 0.00 O ATOM 281 OD2 ASP A 23 5.971 16.258 6.644 1.00 0.00 O ATOM 0 H ASP A 23 8.622 14.156 3.201 1.00 0.00 H new ATOM 0 HA ASP A 23 7.973 13.789 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.347 15.642 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.849 14.983 4.513 1.00 0.00 H new ATOM 286 N VAL A 24 6.574 12.076 3.640 1.00 0.00 N ATOM 287 CA VAL A 24 5.664 10.973 3.351 1.00 0.00 C ATOM 288 C VAL A 24 6.414 9.648 3.273 1.00 0.00 C ATOM 289 O VAL A 24 5.829 8.582 3.458 1.00 0.00 O ATOM 290 CB VAL A 24 4.909 11.201 2.028 1.00 0.00 C ATOM 291 CG1 VAL A 24 3.905 10.084 1.787 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.218 12.557 2.037 1.00 0.00 C ATOM 0 H VAL A 24 7.181 12.336 2.863 1.00 0.00 H new ATOM 0 HA VAL A 24 4.945 10.933 4.169 1.00 0.00 H new ATOM 0 HB VAL A 24 5.631 11.191 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.381 10.262 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.428 9.129 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.185 10.059 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.689 12.702 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.507 12.598 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.962 13.344 2.160 1.00 0.00 H new ATOM 302 N GLN A 25 7.712 9.724 2.999 1.00 0.00 N ATOM 303 CA GLN A 25 8.542 8.530 2.896 1.00 0.00 C ATOM 304 C GLN A 25 8.378 7.646 4.128 1.00 0.00 C ATOM 305 O GLN A 25 8.027 6.469 4.036 1.00 0.00 O ATOM 306 CB GLN A 25 10.012 8.918 2.724 1.00 0.00 C ATOM 307 CG GLN A 25 10.581 8.558 1.361 1.00 0.00 C ATOM 308 CD GLN A 25 12.083 8.746 1.288 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.851 7.849 1.638 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.511 9.917 0.830 1.00 0.00 N ATOM 0 H GLN A 25 8.212 10.600 2.844 1.00 0.00 H new ATOM 0 HA GLN A 25 8.218 7.967 2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.116 9.992 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.602 8.425 3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.337 7.521 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.104 9.174 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.839 10.632 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.512 10.101 0.757 1.00 0.00 H new ATOM 319 N PRO A 26 8.639 8.223 5.310 1.00 0.00 N ATOM 320 CA PRO A 26 8.527 7.505 6.584 1.00 0.00 C ATOM 321 C PRO A 26 7.079 7.190 6.946 1.00 0.00 C ATOM 322 O PRO A 26 6.813 6.363 7.818 1.00 0.00 O ATOM 323 CB PRO A 26 9.131 8.482 7.596 1.00 0.00 C ATOM 324 CG PRO A 26 8.948 9.827 6.981 1.00 0.00 C ATOM 325 CD PRO A 26 9.063 9.621 5.495 1.00 0.00 C ATOM 0 HA PRO A 26 9.029 6.538 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.626 8.416 8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.185 8.268 7.773 1.00 0.00 H new ATOM 0 HG2 PRO A 26 7.977 10.247 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.705 10.526 7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.424 10.311 4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.083 9.781 5.145 1.00 0.00 H new ATOM 333 N VAL A 27 6.147 7.855 6.271 1.00 0.00 N ATOM 334 CA VAL A 27 4.726 7.644 6.520 1.00 0.00 C ATOM 335 C VAL A 27 4.214 6.415 5.777 1.00 0.00 C ATOM 336 O VAL A 27 3.229 5.798 6.184 1.00 0.00 O ATOM 337 CB VAL A 27 3.894 8.870 6.098 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.413 8.617 6.334 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.357 10.111 6.845 1.00 0.00 C ATOM 0 H VAL A 27 6.350 8.544 5.547 1.00 0.00 H new ATOM 0 HA VAL A 27 4.612 7.489 7.593 1.00 0.00 H new ATOM 0 HB VAL A 27 4.044 9.039 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.841 9.494 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.093 7.755 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.242 8.421 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.758 10.967 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.239 9.955 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.406 10.301 6.619 1.00 0.00 H new ATOM 349 N ILE A 28 4.889 6.066 4.688 1.00 0.00 N ATOM 350 CA ILE A 28 4.503 4.909 3.889 1.00 0.00 C ATOM 351 C ILE A 28 5.152 3.635 4.417 1.00 0.00 C ATOM 352 O ILE A 28 4.568 2.553 4.347 1.00 0.00 O ATOM 353 CB ILE A 28 4.888 5.093 2.409 1.00 0.00 C ATOM 354 CG1 ILE A 28 4.222 6.347 1.838 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.495 3.865 1.603 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.871 6.851 0.568 1.00 0.00 C ATOM 0 H ILE A 28 5.706 6.567 4.338 1.00 0.00 H new ATOM 0 HA ILE A 28 3.419 4.820 3.966 1.00 0.00 H new ATOM 0 HB ILE A 28 5.969 5.216 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.172 6.132 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.249 7.137 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.774 4.010 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.011 2.990 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.418 3.713 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.347 7.741 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.914 7.098 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.820 6.078 -0.198 1.00 0.00 H new ATOM 368 N ASP A 29 6.363 3.770 4.946 1.00 0.00 N ATOM 369 CA ASP A 29 7.092 2.630 5.490 1.00 0.00 C ATOM 370 C ASP A 29 6.500 2.193 6.826 1.00 0.00 C ATOM 371 O ASP A 29 6.262 1.007 7.055 1.00 0.00 O ATOM 372 CB ASP A 29 8.571 2.978 5.662 1.00 0.00 C ATOM 373 CG ASP A 29 9.426 1.755 5.933 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.386 1.245 7.072 1.00 0.00 O ATOM 375 OD2 ASP A 29 10.135 1.309 5.007 1.00 0.00 O ATOM 0 H ASP A 29 6.861 4.658 5.010 1.00 0.00 H new ATOM 0 HA ASP A 29 7.001 1.803 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.931 3.477 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.682 3.685 6.484 1.00 0.00 H new ATOM 380 N LYS A 30 6.265 3.160 7.707 1.00 0.00 N ATOM 381 CA LYS A 30 5.700 2.877 9.022 1.00 0.00 C ATOM 382 C LYS A 30 4.423 2.052 8.900 1.00 0.00 C ATOM 383 O LYS A 30 4.114 1.236 9.769 1.00 0.00 O ATOM 384 CB LYS A 30 5.408 4.183 9.765 1.00 0.00 C ATOM 385 CG LYS A 30 5.310 4.016 11.272 1.00 0.00 C ATOM 386 CD LYS A 30 3.897 4.266 11.770 1.00 0.00 C ATOM 387 CE LYS A 30 3.871 4.510 13.271 1.00 0.00 C ATOM 388 NZ LYS A 30 4.008 5.956 13.600 1.00 0.00 N ATOM 0 H LYS A 30 6.457 4.147 7.534 1.00 0.00 H new ATOM 0 HA LYS A 30 6.431 2.299 9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.193 4.904 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.473 4.602 9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.621 3.009 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.997 4.707 11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.475 5.128 11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.268 3.409 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.937 4.130 13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.679 3.952 13.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.986 6.081 14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.911 6.313 13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.223 6.486 13.170 1.00 0.00 H new ATOM 402 N LEU A 31 3.686 2.268 7.816 1.00 0.00 N ATOM 403 CA LEU A 31 2.443 1.543 7.580 1.00 0.00 C ATOM 404 C LEU A 31 2.711 0.219 6.872 1.00 0.00 C ATOM 405 O LEU A 31 2.121 -0.807 7.209 1.00 0.00 O ATOM 406 CB LEU A 31 1.483 2.394 6.747 1.00 0.00 C ATOM 407 CG LEU A 31 0.002 2.029 6.847 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.527 2.325 8.242 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.806 2.781 5.799 1.00 0.00 C ATOM 0 H LEU A 31 3.928 2.939 7.087 1.00 0.00 H new ATOM 0 HA LEU A 31 1.986 1.331 8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.601 3.436 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.783 2.326 5.701 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.102 0.960 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.583 2.059 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.031 1.742 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.409 3.387 8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.858 2.508 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.695 3.854 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.444 2.520 4.804 1.00 0.00 H new ATOM 421 N ALA A 32 3.607 0.249 5.890 1.00 0.00 N ATOM 422 CA ALA A 32 3.957 -0.949 5.138 1.00 0.00 C ATOM 423 C ALA A 32 4.390 -2.075 6.070 1.00 0.00 C ATOM 424 O ALA A 32 3.978 -3.223 5.903 1.00 0.00 O ATOM 425 CB ALA A 32 5.057 -0.639 4.134 1.00 0.00 C ATOM 0 H ALA A 32 4.103 1.091 5.597 1.00 0.00 H new ATOM 0 HA ALA A 32 3.071 -1.281 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.309 -1.543 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.711 0.128 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.940 -0.279 4.662 1.00 0.00 H new ATOM 431 N GLU A 33 5.222 -1.739 7.050 1.00 0.00 N ATOM 432 CA GLU A 33 5.712 -2.725 8.007 1.00 0.00 C ATOM 433 C GLU A 33 4.570 -3.267 8.861 1.00 0.00 C ATOM 434 O GLU A 33 4.549 -4.447 9.212 1.00 0.00 O ATOM 435 CB GLU A 33 6.786 -2.107 8.905 1.00 0.00 C ATOM 436 CG GLU A 33 7.441 -3.104 9.845 1.00 0.00 C ATOM 437 CD GLU A 33 7.709 -2.521 11.219 1.00 0.00 C ATOM 438 OE1 GLU A 33 8.512 -1.569 11.312 1.00 0.00 O ATOM 439 OE2 GLU A 33 7.118 -3.016 12.201 1.00 0.00 O ATOM 0 H GLU A 33 5.571 -0.793 7.203 1.00 0.00 H new ATOM 0 HA GLU A 33 6.149 -3.552 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.554 -1.652 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.339 -1.306 9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.799 -3.979 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.380 -3.445 9.410 1.00 0.00 H new ATOM 446 N TYR A 34 3.622 -2.398 9.192 1.00 0.00 N ATOM 447 CA TYR A 34 2.478 -2.788 10.008 1.00 0.00 C ATOM 448 C TYR A 34 1.548 -3.717 9.234 1.00 0.00 C ATOM 449 O TYR A 34 1.208 -4.804 9.700 1.00 0.00 O ATOM 450 CB TYR A 34 1.709 -1.549 10.471 1.00 0.00 C ATOM 451 CG TYR A 34 1.007 -1.733 11.798 1.00 0.00 C ATOM 452 CD1 TYR A 34 1.720 -1.728 12.990 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.369 -1.913 11.858 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.082 -1.896 14.204 1.00 0.00 C ATOM 455 CE2 TYR A 34 -1.015 -2.081 13.067 1.00 0.00 C ATOM 456 CZ TYR A 34 -0.285 -2.072 14.238 1.00 0.00 C ATOM 457 OH TYR A 34 -0.925 -2.240 15.444 1.00 0.00 O ATOM 0 H TYR A 34 3.623 -1.418 8.908 1.00 0.00 H new ATOM 0 HA TYR A 34 2.852 -3.323 10.881 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.401 -0.710 10.549 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.972 -1.285 9.713 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.791 -1.590 12.968 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.944 -1.922 10.944 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.651 -1.889 15.122 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.086 -2.219 13.096 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.887 -2.350 15.291 1.00 0.00 H new ATOM 467 N VAL A 35 1.141 -3.280 8.046 1.00 0.00 N ATOM 468 CA VAL A 35 0.252 -4.072 7.204 1.00 0.00 C ATOM 469 C VAL A 35 0.889 -5.407 6.835 1.00 0.00 C ATOM 470 O VAL A 35 0.193 -6.392 6.590 1.00 0.00 O ATOM 471 CB VAL A 35 -0.117 -3.318 5.913 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.027 -4.168 5.039 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.775 -1.986 6.244 1.00 0.00 C ATOM 0 H VAL A 35 1.413 -2.382 7.645 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.654 -4.253 7.782 1.00 0.00 H new ATOM 0 HB VAL A 35 0.798 -3.118 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.277 -3.618 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.516 -5.093 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.941 -4.402 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.029 -1.466 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.682 -2.162 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.086 -1.375 6.826 1.00 0.00 H new ATOM 483 N ALA A 36 2.218 -5.432 6.797 1.00 0.00 N ATOM 484 CA ALA A 36 2.949 -6.647 6.461 1.00 0.00 C ATOM 485 C ALA A 36 2.989 -7.609 7.643 1.00 0.00 C ATOM 486 O ALA A 36 3.053 -8.825 7.464 1.00 0.00 O ATOM 487 CB ALA A 36 4.361 -6.304 6.009 1.00 0.00 C ATOM 0 H ALA A 36 2.809 -4.625 6.995 1.00 0.00 H new ATOM 0 HA ALA A 36 2.426 -7.142 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.896 -7.221 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.316 -5.661 5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.884 -5.784 6.812 1.00 0.00 H new ATOM 493 N ARG A 37 2.951 -7.057 8.851 1.00 0.00 N ATOM 494 CA ARG A 37 2.985 -7.866 10.063 1.00 0.00 C ATOM 495 C ARG A 37 1.582 -8.322 10.452 1.00 0.00 C ATOM 496 O ARG A 37 1.318 -9.517 10.574 1.00 0.00 O ATOM 497 CB ARG A 37 3.614 -7.076 11.213 1.00 0.00 C ATOM 498 CG ARG A 37 4.957 -7.624 11.665 1.00 0.00 C ATOM 499 CD ARG A 37 5.409 -6.984 12.968 1.00 0.00 C ATOM 500 NE ARG A 37 6.857 -7.067 13.145 1.00 0.00 N ATOM 501 CZ ARG A 37 7.495 -8.189 13.460 1.00 0.00 C ATOM 502 NH1 ARG A 37 6.817 -9.316 13.630 1.00 0.00 N ATOM 503 NH2 ARG A 37 8.814 -8.185 13.604 1.00 0.00 N ATOM 0 H ARG A 37 2.897 -6.052 9.016 1.00 0.00 H new ATOM 0 HA ARG A 37 3.593 -8.748 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.740 -6.038 10.904 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.928 -7.075 12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.886 -8.704 11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.704 -7.444 10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.101 -5.939 12.984 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.913 -7.476 13.805 1.00 0.00 H new ATOM 0 HE ARG A 37 7.408 -6.218 13.020 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.803 -9.323 13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.309 -10.176 13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.339 -7.320 13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.303 -9.047 13.846 1.00 0.00 H new ATOM 517 N ASN A 38 0.685 -7.360 10.646 1.00 0.00 N ATOM 518 CA ASN A 38 -0.691 -7.661 11.022 1.00 0.00 C ATOM 519 C ASN A 38 -1.415 -8.391 9.895 1.00 0.00 C ATOM 520 O ASN A 38 -1.825 -9.541 10.049 1.00 0.00 O ATOM 521 CB ASN A 38 -1.439 -6.375 11.375 1.00 0.00 C ATOM 522 CG ASN A 38 -1.193 -5.936 12.806 1.00 0.00 C ATOM 523 OD1 ASN A 38 -2.041 -6.122 13.679 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.027 -5.351 13.053 1.00 0.00 N ATOM 0 H ASN A 38 0.887 -6.365 10.549 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.668 -8.311 11.897 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.130 -5.580 10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.508 -6.526 11.223 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.195 -5.035 13.997 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.646 -5.217 12.299 1.00 0.00 H new ATOM 531 N GLY A 39 -1.569 -7.714 8.761 1.00 0.00 N ATOM 532 CA GLY A 39 -2.243 -8.314 7.625 1.00 0.00 C ATOM 533 C GLY A 39 -2.859 -7.279 6.704 1.00 0.00 C ATOM 534 O GLY A 39 -2.764 -6.077 6.957 1.00 0.00 O ATOM 0 H GLY A 39 -1.239 -6.761 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.532 -8.919 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.022 -8.987 7.983 1.00 0.00 H new ATOM 538 N LEU A 40 -3.490 -7.744 5.632 1.00 0.00 N ATOM 539 CA LEU A 40 -4.123 -6.850 4.668 1.00 0.00 C ATOM 540 C LEU A 40 -5.431 -6.293 5.220 1.00 0.00 C ATOM 541 O LEU A 40 -5.871 -5.211 4.830 1.00 0.00 O ATOM 542 CB LEU A 40 -4.383 -7.588 3.353 1.00 0.00 C ATOM 543 CG LEU A 40 -3.170 -7.790 2.446 1.00 0.00 C ATOM 544 CD1 LEU A 40 -2.858 -9.271 2.294 1.00 0.00 C ATOM 545 CD2 LEU A 40 -3.409 -7.152 1.085 1.00 0.00 C ATOM 0 H LEU A 40 -3.577 -8.735 5.408 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.445 -6.017 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.804 -8.566 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.141 -7.039 2.795 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.311 -7.303 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.991 -9.395 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.643 -9.700 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.716 -9.780 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.535 -7.306 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.281 -7.609 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.583 -6.083 1.210 1.00 0.00 H new ATOM 557 N LYS A 41 -6.048 -7.038 6.131 1.00 0.00 N ATOM 558 CA LYS A 41 -7.304 -6.618 6.740 1.00 0.00 C ATOM 559 C LYS A 41 -7.181 -5.216 7.329 1.00 0.00 C ATOM 560 O LYS A 41 -8.162 -4.476 7.406 1.00 0.00 O ATOM 561 CB LYS A 41 -7.721 -7.606 7.832 1.00 0.00 C ATOM 562 CG LYS A 41 -8.613 -8.727 7.328 1.00 0.00 C ATOM 563 CD LYS A 41 -9.455 -9.316 8.447 1.00 0.00 C ATOM 564 CE LYS A 41 -8.707 -10.415 9.187 1.00 0.00 C ATOM 565 NZ LYS A 41 -9.586 -11.130 10.154 1.00 0.00 N ATOM 0 H LYS A 41 -5.698 -7.936 6.464 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.068 -6.601 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.826 -8.038 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.243 -7.064 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.266 -8.348 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.999 -9.510 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.734 -8.529 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.380 -9.718 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.303 -11.127 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.859 -9.983 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.039 -11.871 10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.951 -10.455 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.382 -11.564 9.644 1.00 0.00 H new ATOM 579 N PHE A 42 -5.970 -4.856 7.742 1.00 0.00 N ATOM 580 CA PHE A 42 -5.719 -3.543 8.324 1.00 0.00 C ATOM 581 C PHE A 42 -5.802 -2.452 7.260 1.00 0.00 C ATOM 582 O PHE A 42 -6.306 -1.359 7.515 1.00 0.00 O ATOM 583 CB PHE A 42 -4.345 -3.513 8.996 1.00 0.00 C ATOM 584 CG PHE A 42 -4.056 -2.225 9.713 1.00 0.00 C ATOM 585 CD1 PHE A 42 -3.544 -1.136 9.028 1.00 0.00 C ATOM 586 CD2 PHE A 42 -4.298 -2.105 11.072 1.00 0.00 C ATOM 587 CE1 PHE A 42 -3.276 0.050 9.686 1.00 0.00 C ATOM 588 CE2 PHE A 42 -4.033 -0.921 11.735 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.522 0.158 11.041 1.00 0.00 C ATOM 0 H PHE A 42 -5.147 -5.456 7.684 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.486 -3.353 9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.279 -4.337 9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.577 -3.680 8.241 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.352 -1.214 7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.698 -2.946 11.619 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.875 0.892 9.141 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.225 -0.840 12.795 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.315 1.084 11.556 1.00 0.00 H new ATOM 599 N GLU A 43 -5.302 -2.759 6.067 1.00 0.00 N ATOM 600 CA GLU A 43 -5.317 -1.804 4.965 1.00 0.00 C ATOM 601 C GLU A 43 -6.735 -1.310 4.693 1.00 0.00 C ATOM 602 O GLU A 43 -6.935 -0.196 4.208 1.00 0.00 O ATOM 603 CB GLU A 43 -4.737 -2.442 3.700 1.00 0.00 C ATOM 604 CG GLU A 43 -4.485 -1.449 2.578 1.00 0.00 C ATOM 605 CD GLU A 43 -4.299 -2.123 1.233 1.00 0.00 C ATOM 606 OE1 GLU A 43 -3.245 -2.761 1.029 1.00 0.00 O ATOM 607 OE2 GLU A 43 -5.208 -2.013 0.384 1.00 0.00 O ATOM 0 H GLU A 43 -4.882 -3.660 5.839 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.701 -0.951 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.800 -2.939 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.422 -3.212 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.322 -0.753 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.598 -0.861 2.811 1.00 0.00 H new ATOM 614 N THR A 44 -7.719 -2.147 5.010 1.00 0.00 N ATOM 615 CA THR A 44 -9.118 -1.797 4.800 1.00 0.00 C ATOM 616 C THR A 44 -9.589 -0.774 5.827 1.00 0.00 C ATOM 617 O THR A 44 -10.398 0.101 5.520 1.00 0.00 O ATOM 618 CB THR A 44 -10.025 -3.039 4.875 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.569 -4.035 3.952 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.469 -2.675 4.563 1.00 0.00 C ATOM 0 H THR A 44 -7.572 -3.072 5.413 1.00 0.00 H new ATOM 0 HA THR A 44 -9.189 -1.364 3.802 1.00 0.00 H new ATOM 0 HB THR A 44 -9.978 -3.435 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.150 -4.822 4.007 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.090 -3.569 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.823 -1.939 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.530 -2.257 3.558 1.00 0.00 H new ATOM 628 N SER A 45 -9.078 -0.891 7.049 1.00 0.00 N ATOM 629 CA SER A 45 -9.450 0.022 8.123 1.00 0.00 C ATOM 630 C SER A 45 -8.866 1.411 7.882 1.00 0.00 C ATOM 631 O SER A 45 -9.571 2.417 7.969 1.00 0.00 O ATOM 632 CB SER A 45 -8.967 -0.518 9.470 1.00 0.00 C ATOM 633 OG SER A 45 -9.952 -0.341 10.474 1.00 0.00 O ATOM 0 H SER A 45 -8.406 -1.609 7.319 1.00 0.00 H new ATOM 0 HA SER A 45 -10.537 0.101 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.726 -1.577 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.050 -0.007 9.762 1.00 0.00 H new ATOM 0 HG SER A 45 -9.619 -0.696 11.325 1.00 0.00 H new ATOM 639 N VAL A 46 -7.573 1.459 7.577 1.00 0.00 N ATOM 640 CA VAL A 46 -6.894 2.724 7.322 1.00 0.00 C ATOM 641 C VAL A 46 -7.532 3.463 6.151 1.00 0.00 C ATOM 642 O VAL A 46 -7.544 4.694 6.114 1.00 0.00 O ATOM 643 CB VAL A 46 -5.399 2.507 7.024 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.220 1.596 5.819 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.701 3.841 6.802 1.00 0.00 C ATOM 0 H VAL A 46 -6.975 0.636 7.501 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.994 3.325 8.226 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.942 2.022 7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.157 1.455 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.683 0.630 6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.691 2.049 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.645 3.669 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.159 4.355 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.798 4.456 7.697 1.00 0.00 H new ATOM 655 N ARG A 47 -8.062 2.705 5.197 1.00 0.00 N ATOM 656 CA ARG A 47 -8.702 3.289 4.025 1.00 0.00 C ATOM 657 C ARG A 47 -10.095 3.810 4.368 1.00 0.00 C ATOM 658 O ARG A 47 -10.519 4.852 3.869 1.00 0.00 O ATOM 659 CB ARG A 47 -8.795 2.256 2.900 1.00 0.00 C ATOM 660 CG ARG A 47 -9.089 2.862 1.538 1.00 0.00 C ATOM 661 CD ARG A 47 -9.527 1.803 0.539 1.00 0.00 C ATOM 662 NE ARG A 47 -10.900 2.012 0.086 1.00 0.00 N ATOM 663 CZ ARG A 47 -11.480 1.284 -0.862 1.00 0.00 C ATOM 664 NH1 ARG A 47 -10.810 0.304 -1.452 1.00 0.00 N ATOM 665 NH2 ARG A 47 -12.732 1.536 -1.220 1.00 0.00 N ATOM 0 H ARG A 47 -8.061 1.685 5.213 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.092 4.128 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.857 1.704 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.576 1.536 3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.869 3.617 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.200 3.370 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.856 1.815 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.442 0.817 0.996 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.443 2.758 0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.847 0.108 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.257 -0.254 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.250 2.289 -0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.177 0.977 -1.948 1.00 0.00 H new ATOM 679 N ALA A 48 -10.801 3.077 5.222 1.00 0.00 N ATOM 680 CA ALA A 48 -12.145 3.465 5.633 1.00 0.00 C ATOM 681 C ALA A 48 -12.152 4.868 6.231 1.00 0.00 C ATOM 682 O ALA A 48 -13.173 5.556 6.214 1.00 0.00 O ATOM 683 CB ALA A 48 -12.703 2.461 6.630 1.00 0.00 C ATOM 0 H ALA A 48 -10.465 2.211 5.643 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.781 3.472 4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.707 2.764 6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.743 1.474 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.059 2.425 7.509 1.00 0.00 H new ATOM 689 N LYS A 49 -11.007 5.286 6.760 1.00 0.00 N ATOM 690 CA LYS A 49 -10.881 6.607 7.363 1.00 0.00 C ATOM 691 C LYS A 49 -11.005 7.702 6.308 1.00 0.00 C ATOM 692 O LYS A 49 -11.586 8.757 6.560 1.00 0.00 O ATOM 693 CB LYS A 49 -9.539 6.733 8.088 1.00 0.00 C ATOM 694 CG LYS A 49 -9.331 5.686 9.168 1.00 0.00 C ATOM 695 CD LYS A 49 -8.995 6.325 10.506 1.00 0.00 C ATOM 696 CE LYS A 49 -8.821 5.278 11.595 1.00 0.00 C ATOM 697 NZ LYS A 49 -7.702 5.617 12.517 1.00 0.00 N ATOM 0 H LYS A 49 -10.153 4.729 6.783 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.690 6.728 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.733 6.656 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.469 7.724 8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.232 5.081 9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.526 5.012 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.080 6.909 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.788 7.018 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.746 5.189 12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.633 4.306 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.616 4.879 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.814 5.677 11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.893 6.532 12.973 1.00 0.00 H new ATOM 711 N ASN A 50 -10.457 7.443 5.125 1.00 0.00 N ATOM 712 CA ASN A 50 -10.507 8.406 4.032 1.00 0.00 C ATOM 713 C ASN A 50 -9.997 9.770 4.484 1.00 0.00 C ATOM 714 O ASN A 50 -10.426 10.806 3.974 1.00 0.00 O ATOM 715 CB ASN A 50 -11.937 8.534 3.503 1.00 0.00 C ATOM 716 CG ASN A 50 -11.997 8.521 1.988 1.00 0.00 C ATOM 717 OD1 ASN A 50 -11.195 7.858 1.329 1.00 0.00 O ATOM 718 ND2 ASN A 50 -12.951 9.256 1.427 1.00 0.00 N ATOM 0 H ASN A 50 -9.973 6.574 4.899 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.861 8.044 3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.541 7.715 3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.377 9.460 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.040 9.287 0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.594 9.790 2.012 1.00 0.00 H new ATOM 725 N ASP A 51 -9.078 9.763 5.443 1.00 0.00 N ATOM 726 CA ASP A 51 -8.506 11.000 5.964 1.00 0.00 C ATOM 727 C ASP A 51 -7.376 11.496 5.068 1.00 0.00 C ATOM 728 O ASP A 51 -6.702 10.704 4.409 1.00 0.00 O ATOM 729 CB ASP A 51 -7.990 10.788 7.388 1.00 0.00 C ATOM 730 CG ASP A 51 -8.213 12.001 8.271 1.00 0.00 C ATOM 731 OD1 ASP A 51 -7.777 13.105 7.884 1.00 0.00 O ATOM 732 OD2 ASP A 51 -8.824 11.845 9.348 1.00 0.00 O ATOM 0 H ASP A 51 -8.713 8.915 5.876 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.291 11.756 5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.490 9.925 7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.925 10.557 7.355 1.00 0.00 H new ATOM 737 N GLN A 52 -7.175 12.809 5.049 1.00 0.00 N ATOM 738 CA GLN A 52 -6.127 13.410 4.233 1.00 0.00 C ATOM 739 C GLN A 52 -4.756 12.864 4.619 1.00 0.00 C ATOM 740 O GLN A 52 -3.835 12.838 3.802 1.00 0.00 O ATOM 741 CB GLN A 52 -6.144 14.932 4.382 1.00 0.00 C ATOM 742 CG GLN A 52 -6.949 15.640 3.305 1.00 0.00 C ATOM 743 CD GLN A 52 -7.663 16.872 3.825 1.00 0.00 C ATOM 744 OE1 GLN A 52 -7.154 17.988 3.723 1.00 0.00 O ATOM 745 NE2 GLN A 52 -8.851 16.675 4.386 1.00 0.00 N ATOM 0 H GLN A 52 -7.724 13.477 5.589 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.320 13.153 3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.555 15.188 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.119 15.302 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.285 15.927 2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.682 14.948 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.235 15.732 4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.379 17.467 4.753 1.00 0.00 H new ATOM 754 N ARG A 53 -4.628 12.430 5.868 1.00 0.00 N ATOM 755 CA ARG A 53 -3.369 11.886 6.363 1.00 0.00 C ATOM 756 C ARG A 53 -3.078 10.528 5.733 1.00 0.00 C ATOM 757 O ARG A 53 -1.921 10.124 5.610 1.00 0.00 O ATOM 758 CB ARG A 53 -3.409 11.755 7.887 1.00 0.00 C ATOM 759 CG ARG A 53 -2.705 12.889 8.615 1.00 0.00 C ATOM 760 CD ARG A 53 -1.194 12.785 8.478 1.00 0.00 C ATOM 761 NE ARG A 53 -0.531 14.056 8.754 1.00 0.00 N ATOM 762 CZ ARG A 53 -0.283 14.505 9.980 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.642 13.789 11.036 1.00 0.00 N ATOM 764 NH2 ARG A 53 0.325 15.672 10.150 1.00 0.00 N ATOM 0 H ARG A 53 -5.381 12.444 6.556 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.571 12.575 6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.448 11.716 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.949 10.809 8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.043 13.845 8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.978 12.871 9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.819 12.024 9.163 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.943 12.457 7.469 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.242 14.631 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.110 12.891 10.909 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.451 14.135 11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.602 16.225 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.515 16.016 11.091 1.00 0.00 H new ATOM 778 N PHE A 54 -4.135 9.827 5.335 1.00 0.00 N ATOM 779 CA PHE A 54 -3.993 8.514 4.718 1.00 0.00 C ATOM 780 C PHE A 54 -4.615 8.497 3.325 1.00 0.00 C ATOM 781 O PHE A 54 -5.541 7.732 3.056 1.00 0.00 O ATOM 782 CB PHE A 54 -4.647 7.443 5.594 1.00 0.00 C ATOM 783 CG PHE A 54 -4.079 7.374 6.982 1.00 0.00 C ATOM 784 CD1 PHE A 54 -4.617 8.139 8.004 1.00 0.00 C ATOM 785 CD2 PHE A 54 -3.005 6.545 7.265 1.00 0.00 C ATOM 786 CE1 PHE A 54 -4.096 8.078 9.283 1.00 0.00 C ATOM 787 CE2 PHE A 54 -2.481 6.479 8.542 1.00 0.00 C ATOM 788 CZ PHE A 54 -3.026 7.248 9.552 1.00 0.00 C ATOM 0 H PHE A 54 -5.099 10.147 5.429 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.929 8.297 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.717 7.641 5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.530 6.471 5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.453 8.791 7.799 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.573 5.944 6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.525 8.679 10.071 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.646 5.827 8.750 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.616 7.200 10.550 1.00 0.00 H new ATOM 798 N GLU A 55 -4.099 9.347 2.442 1.00 0.00 N ATOM 799 CA GLU A 55 -4.604 9.431 1.077 1.00 0.00 C ATOM 800 C GLU A 55 -3.690 8.683 0.112 1.00 0.00 C ATOM 801 O GLU A 55 -4.137 8.179 -0.920 1.00 0.00 O ATOM 802 CB GLU A 55 -4.732 10.894 0.646 1.00 0.00 C ATOM 803 CG GLU A 55 -3.455 11.696 0.830 1.00 0.00 C ATOM 804 CD GLU A 55 -3.602 13.137 0.381 1.00 0.00 C ATOM 805 OE1 GLU A 55 -3.966 13.359 -0.793 1.00 0.00 O ATOM 806 OE2 GLU A 55 -3.352 14.043 1.204 1.00 0.00 O ATOM 0 H GLU A 55 -3.332 9.987 2.648 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.589 8.965 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.026 10.931 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.532 11.364 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.165 11.674 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.650 11.224 0.267 1.00 0.00 H new ATOM 813 N PHE A 56 -2.408 8.614 0.453 1.00 0.00 N ATOM 814 CA PHE A 56 -1.429 7.929 -0.383 1.00 0.00 C ATOM 815 C PHE A 56 -1.842 6.481 -0.628 1.00 0.00 C ATOM 816 O PHE A 56 -1.465 5.877 -1.633 1.00 0.00 O ATOM 817 CB PHE A 56 -0.047 7.974 0.271 1.00 0.00 C ATOM 818 CG PHE A 56 0.052 7.147 1.521 1.00 0.00 C ATOM 819 CD1 PHE A 56 -0.408 7.639 2.731 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.604 5.877 1.485 1.00 0.00 C ATOM 821 CE1 PHE A 56 -0.320 6.881 3.883 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.695 5.113 2.634 1.00 0.00 C ATOM 823 CZ PHE A 56 0.234 5.616 3.834 1.00 0.00 C ATOM 0 H PHE A 56 -2.022 9.024 1.303 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.385 8.443 -1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.697 7.625 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.200 9.009 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.841 8.627 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.967 5.479 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.684 7.276 4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.126 4.124 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.306 5.022 4.733 1.00 0.00 H new ATOM 833 N LEU A 57 -2.619 5.929 0.297 1.00 0.00 N ATOM 834 CA LEU A 57 -3.084 4.551 0.184 1.00 0.00 C ATOM 835 C LEU A 57 -4.128 4.417 -0.920 1.00 0.00 C ATOM 836 O LEU A 57 -4.272 3.356 -1.525 1.00 0.00 O ATOM 837 CB LEU A 57 -3.669 4.078 1.516 1.00 0.00 C ATOM 838 CG LEU A 57 -2.657 3.672 2.588 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.196 3.982 3.976 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.313 2.195 2.464 1.00 0.00 C ATOM 0 H LEU A 57 -2.941 6.415 1.134 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.229 3.925 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.294 4.875 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.322 3.228 1.321 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.745 4.250 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.462 3.686 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.390 5.051 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.122 3.431 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.592 1.923 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.217 1.599 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.883 2.003 1.481 1.00 0.00 H new ATOM 852 N GLN A 58 -4.852 5.502 -1.176 1.00 0.00 N ATOM 853 CA GLN A 58 -5.882 5.506 -2.209 1.00 0.00 C ATOM 854 C GLN A 58 -5.319 5.022 -3.541 1.00 0.00 C ATOM 855 O GLN A 58 -4.122 5.127 -3.812 1.00 0.00 O ATOM 856 CB GLN A 58 -6.468 6.909 -2.368 1.00 0.00 C ATOM 857 CG GLN A 58 -7.250 7.384 -1.154 1.00 0.00 C ATOM 858 CD GLN A 58 -8.266 6.364 -0.679 1.00 0.00 C ATOM 859 OE1 GLN A 58 -7.916 5.377 -0.032 1.00 0.00 O ATOM 860 NE2 GLN A 58 -9.534 6.598 -0.998 1.00 0.00 N ATOM 0 H GLN A 58 -4.745 6.389 -0.683 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.673 4.823 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.658 7.611 -2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.122 6.924 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.556 7.605 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.762 8.315 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.780 7.429 -1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.262 5.947 -0.705 1.00 0.00 H new ATOM 869 N PRO A 59 -6.200 4.480 -4.394 1.00 0.00 N ATOM 870 CA PRO A 59 -5.814 3.969 -5.713 1.00 0.00 C ATOM 871 C PRO A 59 -5.421 5.086 -6.675 1.00 0.00 C ATOM 872 O PRO A 59 -4.383 5.015 -7.332 1.00 0.00 O ATOM 873 CB PRO A 59 -7.079 3.260 -6.203 1.00 0.00 C ATOM 874 CG PRO A 59 -8.194 3.933 -5.481 1.00 0.00 C ATOM 875 CD PRO A 59 -7.642 4.323 -4.138 1.00 0.00 C ATOM 0 HA PRO A 59 -4.940 3.320 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.193 3.354 -7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.048 2.194 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.542 4.809 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.048 3.265 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.088 5.248 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.836 3.558 -3.386 1.00 0.00 H new ATOM 883 N TRP A 60 -6.257 6.115 -6.751 1.00 0.00 N ATOM 884 CA TRP A 60 -5.997 7.247 -7.633 1.00 0.00 C ATOM 885 C TRP A 60 -4.651 7.888 -7.313 1.00 0.00 C ATOM 886 O TRP A 60 -3.956 8.374 -8.205 1.00 0.00 O ATOM 887 CB TRP A 60 -7.113 8.285 -7.507 1.00 0.00 C ATOM 888 CG TRP A 60 -7.251 8.844 -6.123 1.00 0.00 C ATOM 889 CD1 TRP A 60 -8.082 8.394 -5.137 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.538 9.957 -5.573 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.929 9.161 -4.007 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.987 10.126 -4.248 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.563 10.826 -6.070 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.494 11.129 -3.418 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -5.075 11.821 -5.244 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.540 11.966 -3.930 1.00 0.00 C ATOM 0 H TRP A 60 -7.120 6.189 -6.213 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.968 6.878 -8.658 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.920 9.101 -8.203 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.058 7.830 -7.803 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.760 7.558 -5.231 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.435 9.033 -3.131 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.197 10.722 -7.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.852 11.243 -2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.322 12.499 -5.618 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.138 12.753 -3.310 1.00 0.00 H new ATOM 907 N HIS A 61 -4.288 7.885 -6.034 1.00 0.00 N ATOM 908 CA HIS A 61 -3.023 8.466 -5.597 1.00 0.00 C ATOM 909 C HIS A 61 -1.846 7.795 -6.298 1.00 0.00 C ATOM 910 O HIS A 61 -1.920 6.624 -6.671 1.00 0.00 O ATOM 911 CB HIS A 61 -2.873 8.331 -4.081 1.00 0.00 C ATOM 912 CG HIS A 61 -2.447 9.599 -3.407 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.213 10.181 -3.609 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.099 10.398 -2.530 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.124 11.282 -2.885 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.255 11.436 -2.221 1.00 0.00 N ATOM 0 H HIS A 61 -4.851 7.487 -5.283 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.026 9.523 -5.862 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.823 8.005 -3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.143 7.551 -3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.097 10.247 -2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.271 11.944 -2.843 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.467 12.202 -1.582 1.00 0.00 H new ATOM 924 N GLN A 62 -0.763 8.545 -6.474 1.00 0.00 N ATOM 925 CA GLN A 62 0.429 8.022 -7.132 1.00 0.00 C ATOM 926 C GLN A 62 1.352 7.343 -6.126 1.00 0.00 C ATOM 927 O GLN A 62 1.966 6.319 -6.426 1.00 0.00 O ATOM 928 CB GLN A 62 1.176 9.148 -7.849 1.00 0.00 C ATOM 929 CG GLN A 62 1.630 10.264 -6.922 1.00 0.00 C ATOM 930 CD GLN A 62 2.292 11.407 -7.666 1.00 0.00 C ATOM 931 OE1 GLN A 62 2.817 11.226 -8.765 1.00 0.00 O ATOM 932 NE2 GLN A 62 2.271 12.593 -7.069 1.00 0.00 N ATOM 0 H GLN A 62 -0.686 9.516 -6.171 1.00 0.00 H new ATOM 0 HA GLN A 62 0.113 7.280 -7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.047 8.731 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.530 9.568 -8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.771 10.644 -6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.328 9.861 -6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.825 12.697 -6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.701 13.399 -7.522 1.00 0.00 H new ATOM 941 N TYR A 63 1.446 7.920 -4.934 1.00 0.00 N ATOM 942 CA TYR A 63 2.297 7.372 -3.884 1.00 0.00 C ATOM 943 C TYR A 63 1.936 5.918 -3.594 1.00 0.00 C ATOM 944 O TYR A 63 2.770 5.141 -3.131 1.00 0.00 O ATOM 945 CB TYR A 63 2.170 8.205 -2.608 1.00 0.00 C ATOM 946 CG TYR A 63 2.727 9.605 -2.741 1.00 0.00 C ATOM 947 CD1 TYR A 63 3.943 9.833 -3.374 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.038 10.699 -2.234 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.456 11.109 -3.497 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.542 11.980 -2.353 1.00 0.00 C ATOM 951 CZ TYR A 63 3.752 12.180 -2.985 1.00 0.00 C ATOM 952 OH TYR A 63 4.259 13.453 -3.107 1.00 0.00 O ATOM 0 H TYR A 63 0.943 8.767 -4.670 1.00 0.00 H new ATOM 0 HA TYR A 63 3.329 7.409 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.119 8.266 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.687 7.693 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.496 8.998 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.091 10.546 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.403 11.268 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.992 12.819 -1.954 1.00 0.00 H new ATOM 0 HH TYR A 63 3.641 14.092 -2.695 1.00 0.00 H new ATOM 962 N ASN A 64 0.687 5.559 -3.870 1.00 0.00 N ATOM 963 CA ASN A 64 0.213 4.199 -3.639 1.00 0.00 C ATOM 964 C ASN A 64 1.128 3.183 -4.315 1.00 0.00 C ATOM 965 O ASN A 64 1.303 2.068 -3.825 1.00 0.00 O ATOM 966 CB ASN A 64 -1.217 4.040 -4.157 1.00 0.00 C ATOM 967 CG ASN A 64 -1.745 2.630 -3.975 1.00 0.00 C ATOM 968 OD1 ASN A 64 -1.882 1.877 -4.939 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.045 2.267 -2.733 1.00 0.00 N ATOM 0 H ASN A 64 -0.016 6.191 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 64 0.225 4.014 -2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.870 4.740 -3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.249 4.303 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.405 1.331 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.915 2.925 -1.964 1.00 0.00 H new ATOM 976 N ALA A 65 1.708 3.577 -5.444 1.00 0.00 N ATOM 977 CA ALA A 65 2.607 2.701 -6.187 1.00 0.00 C ATOM 978 C ALA A 65 3.838 2.349 -5.359 1.00 0.00 C ATOM 979 O ALA A 65 4.283 1.201 -5.349 1.00 0.00 O ATOM 980 CB ALA A 65 3.018 3.357 -7.497 1.00 0.00 C ATOM 0 H ALA A 65 1.572 4.496 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 65 2.074 1.776 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.689 2.693 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.131 3.552 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.529 4.297 -7.289 1.00 0.00 H new ATOM 986 N TYR A 66 4.385 3.343 -4.668 1.00 0.00 N ATOM 987 CA TYR A 66 5.567 3.138 -3.840 1.00 0.00 C ATOM 988 C TYR A 66 5.237 2.282 -2.621 1.00 0.00 C ATOM 989 O TYR A 66 6.100 1.588 -2.084 1.00 0.00 O ATOM 990 CB TYR A 66 6.141 4.483 -3.393 1.00 0.00 C ATOM 991 CG TYR A 66 7.339 4.357 -2.478 1.00 0.00 C ATOM 992 CD1 TYR A 66 7.179 4.259 -1.101 1.00 0.00 C ATOM 993 CD2 TYR A 66 8.630 4.333 -2.991 1.00 0.00 C ATOM 994 CE1 TYR A 66 8.270 4.144 -0.262 1.00 0.00 C ATOM 995 CE2 TYR A 66 9.727 4.217 -2.159 1.00 0.00 C ATOM 996 CZ TYR A 66 9.542 4.123 -0.795 1.00 0.00 C ATOM 997 OH TYR A 66 10.631 4.007 0.037 1.00 0.00 O ATOM 0 H TYR A 66 4.029 4.299 -4.665 1.00 0.00 H new ATOM 0 HA TYR A 66 6.312 2.613 -4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.426 5.057 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.362 5.049 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.185 4.273 -0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.779 4.406 -4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.128 4.071 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.724 4.200 -2.574 1.00 0.00 H new ATOM 0 HH TYR A 66 11.452 4.007 -0.497 1.00 0.00 H new ATOM 1007 N TYR A 67 3.982 2.338 -2.190 1.00 0.00 N ATOM 1008 CA TYR A 67 3.536 1.570 -1.034 1.00 0.00 C ATOM 1009 C TYR A 67 3.402 0.090 -1.381 1.00 0.00 C ATOM 1010 O TYR A 67 3.753 -0.779 -0.585 1.00 0.00 O ATOM 1011 CB TYR A 67 2.199 2.109 -0.522 1.00 0.00 C ATOM 1012 CG TYR A 67 1.569 1.247 0.549 1.00 0.00 C ATOM 1013 CD1 TYR A 67 2.158 1.117 1.800 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.384 0.563 0.308 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.586 0.330 2.781 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.196 -0.225 1.284 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.409 -0.339 2.518 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.165 -1.123 3.492 1.00 0.00 O ATOM 0 H TYR A 67 3.255 2.907 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 67 4.286 1.674 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.349 3.114 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.507 2.197 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.079 1.640 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.092 0.648 -0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.058 0.239 3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.118 -0.749 1.081 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.990 -1.523 3.146 1.00 0.00 H new ATOM 1028 N GLU A 68 2.891 -0.186 -2.577 1.00 0.00 N ATOM 1029 CA GLU A 68 2.709 -1.560 -3.031 1.00 0.00 C ATOM 1030 C GLU A 68 4.035 -2.316 -3.018 1.00 0.00 C ATOM 1031 O GLU A 68 4.082 -3.503 -2.693 1.00 0.00 O ATOM 1032 CB GLU A 68 2.111 -1.581 -4.439 1.00 0.00 C ATOM 1033 CG GLU A 68 0.613 -1.326 -4.467 1.00 0.00 C ATOM 1034 CD GLU A 68 -0.055 -1.908 -5.697 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.654 -2.155 -6.696 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -1.285 -2.116 -5.663 1.00 0.00 O ATOM 0 H GLU A 68 2.596 0.523 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 68 2.021 -2.054 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.611 -0.828 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.315 -2.549 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.158 -1.755 -3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.430 -0.252 -4.433 1.00 0.00 H new ATOM 1043 N PHE A 69 5.109 -1.621 -3.375 1.00 0.00 N ATOM 1044 CA PHE A 69 6.436 -2.227 -3.407 1.00 0.00 C ATOM 1045 C PHE A 69 6.946 -2.494 -1.994 1.00 0.00 C ATOM 1046 O PHE A 69 7.296 -3.623 -1.651 1.00 0.00 O ATOM 1047 CB PHE A 69 7.416 -1.319 -4.152 1.00 0.00 C ATOM 1048 CG PHE A 69 8.820 -1.853 -4.187 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.181 -2.828 -5.102 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.777 -1.379 -3.304 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.472 -3.321 -5.137 1.00 0.00 C ATOM 1052 CE2 PHE A 69 11.069 -1.869 -3.334 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.417 -2.841 -4.251 1.00 0.00 C ATOM 0 H PHE A 69 5.087 -0.638 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 69 6.361 -3.179 -3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.064 -1.178 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.421 -0.337 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.446 -3.207 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.510 -0.619 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.741 -4.080 -5.856 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.806 -1.492 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.426 -3.225 -4.275 1.00 0.00 H new ATOM 1063 N LYS A 70 6.985 -1.446 -1.178 1.00 0.00 N ATOM 1064 CA LYS A 70 7.451 -1.565 0.199 1.00 0.00 C ATOM 1065 C LYS A 70 6.692 -2.663 0.937 1.00 0.00 C ATOM 1066 O LYS A 70 7.292 -3.510 1.599 1.00 0.00 O ATOM 1067 CB LYS A 70 7.285 -0.233 0.932 1.00 0.00 C ATOM 1068 CG LYS A 70 8.347 0.017 1.989 1.00 0.00 C ATOM 1069 CD LYS A 70 9.724 0.180 1.367 1.00 0.00 C ATOM 1070 CE LYS A 70 10.769 -0.646 2.102 1.00 0.00 C ATOM 1071 NZ LYS A 70 12.147 -0.131 1.870 1.00 0.00 N ATOM 0 H LYS A 70 6.699 -0.504 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 70 8.508 -1.831 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.311 0.578 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.302 -0.207 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.094 0.913 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.362 -0.813 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.690 -0.123 0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.011 1.231 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.553 -0.637 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.709 -1.683 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.830 -0.721 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.363 -0.163 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.212 0.851 2.207 1.00 0.00 H new ATOM 1085 N LYS A 71 5.369 -2.643 0.818 1.00 0.00 N ATOM 1086 CA LYS A 71 4.526 -3.637 1.472 1.00 0.00 C ATOM 1087 C LYS A 71 4.972 -5.051 1.110 1.00 0.00 C ATOM 1088 O LYS A 71 4.976 -5.944 1.956 1.00 0.00 O ATOM 1089 CB LYS A 71 3.062 -3.436 1.075 1.00 0.00 C ATOM 1090 CG LYS A 71 2.123 -4.471 1.670 1.00 0.00 C ATOM 1091 CD LYS A 71 0.677 -4.003 1.624 1.00 0.00 C ATOM 1092 CE LYS A 71 0.070 -4.202 0.244 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.121 -5.095 0.285 1.00 0.00 N ATOM 0 H LYS A 71 4.857 -1.949 0.274 1.00 0.00 H new ATOM 0 HA LYS A 71 4.625 -3.508 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.742 -2.443 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.981 -3.467 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.220 -5.409 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.409 -4.672 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.092 -4.552 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.626 -2.949 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.215 -3.235 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.819 -4.626 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.251 -5.543 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.979 -5.830 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.966 -4.536 0.521 1.00 0.00 H new ATOM 1107 N GLN A 72 5.347 -5.243 -0.150 1.00 0.00 N ATOM 1108 CA GLN A 72 5.795 -6.548 -0.623 1.00 0.00 C ATOM 1109 C GLN A 72 7.093 -6.959 0.065 1.00 0.00 C ATOM 1110 O GLN A 72 7.257 -8.112 0.465 1.00 0.00 O ATOM 1111 CB GLN A 72 5.992 -6.525 -2.139 1.00 0.00 C ATOM 1112 CG GLN A 72 5.782 -7.877 -2.801 1.00 0.00 C ATOM 1113 CD GLN A 72 4.315 -8.232 -2.950 1.00 0.00 C ATOM 1114 OE1 GLN A 72 3.791 -9.075 -2.222 1.00 0.00 O ATOM 1115 NE2 GLN A 72 3.644 -7.587 -3.897 1.00 0.00 N ATOM 0 H GLN A 72 5.350 -4.512 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 72 5.026 -7.280 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.300 -5.805 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.000 -6.174 -2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.253 -7.873 -3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.280 -8.647 -2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.119 -6.896 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.654 -7.783 -4.044 1.00 0.00 H new ATOM 1124 N PHE A 73 8.013 -6.010 0.198 1.00 0.00 N ATOM 1125 CA PHE A 73 9.297 -6.274 0.836 1.00 0.00 C ATOM 1126 C PHE A 73 9.101 -6.818 2.248 1.00 0.00 C ATOM 1127 O PHE A 73 9.521 -7.933 2.559 1.00 0.00 O ATOM 1128 CB PHE A 73 10.139 -4.997 0.882 1.00 0.00 C ATOM 1129 CG PHE A 73 11.454 -5.172 1.587 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.501 -5.841 0.972 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.645 -4.667 2.863 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.712 -6.004 1.619 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.853 -4.826 3.514 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.888 -5.495 2.890 1.00 0.00 C ATOM 0 H PHE A 73 7.893 -5.051 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 73 9.821 -7.026 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.324 -4.656 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.569 -4.213 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.369 -6.239 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.839 -4.142 3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.519 -6.529 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.988 -4.428 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.834 -5.620 3.396 1.00 0.00 H new ATOM 1144 N PHE A 74 8.461 -6.023 3.099 1.00 0.00 N ATOM 1145 CA PHE A 74 8.211 -6.424 4.479 1.00 0.00 C ATOM 1146 C PHE A 74 7.454 -7.748 4.532 1.00 0.00 C ATOM 1147 O PHE A 74 7.579 -8.509 5.492 1.00 0.00 O ATOM 1148 CB PHE A 74 7.416 -5.340 5.211 1.00 0.00 C ATOM 1149 CG PHE A 74 8.195 -4.076 5.437 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.415 -4.106 6.093 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.706 -2.857 4.993 1.00 0.00 C ATOM 1152 CE1 PHE A 74 10.133 -2.944 6.303 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.420 -1.692 5.200 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.635 -1.735 5.855 1.00 0.00 C ATOM 0 H PHE A 74 8.106 -5.098 2.858 1.00 0.00 H new ATOM 0 HA PHE A 74 9.174 -6.556 4.973 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.520 -5.107 4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.085 -5.731 6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.809 -5.048 6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.757 -2.817 4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.082 -2.981 6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.028 -0.749 4.850 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.195 -0.826 6.017 1.00 0.00 H new ATOM 1164 N LEU A 75 6.670 -8.016 3.494 1.00 0.00 N ATOM 1165 CA LEU A 75 5.892 -9.248 3.421 1.00 0.00 C ATOM 1166 C LEU A 75 6.800 -10.452 3.190 1.00 0.00 C ATOM 1167 O LEU A 75 6.895 -11.340 4.036 1.00 0.00 O ATOM 1168 CB LEU A 75 4.855 -9.154 2.300 1.00 0.00 C ATOM 1169 CG LEU A 75 3.418 -8.874 2.738 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.529 -8.630 1.528 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.880 -10.026 3.573 1.00 0.00 C ATOM 0 H LEU A 75 6.556 -7.397 2.691 1.00 0.00 H new ATOM 0 HA LEU A 75 5.378 -9.381 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.164 -8.367 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.868 -10.090 1.741 1.00 0.00 H new ATOM 0 HG LEU A 75 3.415 -7.974 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.510 -8.432 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.902 -7.771 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.538 -9.511 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.856 -9.809 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.897 -10.942 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.501 -10.154 4.460 1.00 0.00 H new