USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 856 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 65 GLN : amide:sc= 0.354 K(o=1.8,f=1.2) USER MOD Set 1.2: A 66 THR OG1 : rot -13:sc= 1.48 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -3.48! C(o=-4.8!,f=-9.1!) USER MOD Set 2.2: A 76 SER OG : rot 180:sc= -1.36 USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0.885 USER MOD Set 3.2: A 15 SER OG : rot 142:sc= 1.52 USER MOD Set 4.1: A 8 SER OG : rot 168:sc= 1.12! USER MOD Set 4.2: A 82 SER OG : rot -79:sc= -0.796! USER MOD Set 4.3: A 86 LYS NZ :NH3+ -168:sc= -0.614! (180deg=-1!) USER MOD Single : A 6 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.3) USER MOD Single : A 9 LYS NZ :NH3+ -120:sc= 1.38 (180deg=-3.46!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 20 GLN : amide:sc= -0.154 K(o=-0.15,f=-11!) USER MOD Single : A 23 HIS : no HE2:sc= 0.783 K(o=0.78,f=-6.9!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -156:sc= -0.928 (180deg=-0.98) USER MOD Single : A 38 LYS NZ :NH3+ -128:sc= 1.7! (180deg=-5.28!) USER MOD Single : A 40 ASN : amide:sc= -0.433 K(o=-0.43,f=-7.4!) USER MOD Single : A 43 ASN : amide:sc= -0.587 K(o=-0.59,f=-6.3!) USER MOD Single : A 44 SER OG : rot -164:sc= 1.19 USER MOD Single : A 45 TYR OH : rot 123:sc= 1.06 USER MOD Single : A 48 SER OG : rot 45:sc= -0.576! USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 1 (180deg=0.881) USER MOD Single : A 56 LYS NZ :NH3+ -140:sc= -0.256 (180deg=-1.59!) USER MOD Single : A 57 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-2.4) USER MOD Single : A 58 CYS SG : rot -27:sc= -1.22! USER MOD Single : A 61 GLN : amide:sc= 0.513 K(o=0.51,f=-10!) USER MOD Single : A 62 GLN : amide:sc= -3.22 K(o=-3.2,f=-6.8!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -3.73! C(o=-3.7!,f=-15!) USER MOD Single : A 72 SER OG : rot 72:sc= 1.27 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= -2.59! USER MOD Single : A 87 HIS : no HE2:sc= 0.711 K(o=0.71,f=-7.2!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -126:sc= 1.07 (180deg=0.0709!) USER MOD Single : A 93 MET CE :methyl -128:sc= -0.23 (180deg=-2.2) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0.569 (180deg=0.502) USER MOD Single : A 97 TYR OH : rot 110:sc= 0.45 USER MOD Single : A 100 ASN : amide:sc= 0.143 K(o=0.14,f=-10!) USER MOD Single : B 8 SER OG : rot 180:sc=-0.00904 USER MOD ----------------------------------------------------------------- ATOM 33 N GLU B 4 6.316 -4.049 -14.441 1.00 0.00 N ATOM 34 CA GLU B 4 4.930 -3.477 -14.501 1.00 0.00 C ATOM 35 C GLU B 4 3.881 -4.596 -14.429 1.00 0.00 C ATOM 36 O GLU B 4 2.838 -4.525 -15.051 1.00 0.00 O ATOM 37 CB GLU B 4 4.858 -2.750 -15.848 1.00 0.00 C ATOM 38 CG GLU B 4 5.229 -1.274 -15.653 1.00 0.00 C ATOM 39 CD GLU B 4 4.245 -0.382 -16.413 1.00 0.00 C ATOM 40 OE1 GLU B 4 3.066 -0.421 -16.094 1.00 0.00 O ATOM 41 OE2 GLU B 4 4.685 0.329 -17.300 1.00 0.00 O ATOM 0 HA GLU B 4 4.726 -2.807 -13.666 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.538 -3.216 -16.561 1.00 0.00 H new ATOM 0 HB3 GLU B 4 3.854 -2.832 -16.264 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.214 -1.024 -14.592 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.244 -1.096 -16.009 1.00 0.00 H new ATOM 48 N VAL B 5 4.148 -5.625 -13.667 1.00 0.00 N ATOM 49 CA VAL B 5 3.169 -6.748 -13.542 1.00 0.00 C ATOM 50 C VAL B 5 3.218 -7.332 -12.125 1.00 0.00 C ATOM 51 O VAL B 5 4.274 -7.605 -11.585 1.00 0.00 O ATOM 52 CB VAL B 5 3.592 -7.787 -14.590 1.00 0.00 C ATOM 53 CG1 VAL B 5 4.981 -8.340 -14.258 1.00 0.00 C ATOM 54 CG2 VAL B 5 2.583 -8.939 -14.599 1.00 0.00 C ATOM 0 H VAL B 5 5.004 -5.737 -13.124 1.00 0.00 H new ATOM 0 HA VAL B 5 2.143 -6.421 -13.710 1.00 0.00 H new ATOM 0 HB VAL B 5 3.622 -7.309 -15.569 1.00 0.00 H new ATOM 0 HG11 VAL B 5 5.269 -9.076 -15.009 1.00 0.00 H new ATOM 0 HG12 VAL B 5 5.705 -7.525 -14.252 1.00 0.00 H new ATOM 0 HG13 VAL B 5 4.959 -8.813 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL B 5 2.881 -9.678 -15.343 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.555 -9.406 -13.614 1.00 0.00 H new ATOM 0 HG23 VAL B 5 1.594 -8.554 -14.847 1.00 0.00 H new ATOM 89 N GLU B 7 -0.305 -8.646 -10.358 1.00 0.00 N ATOM 90 CA GLU B 7 -1.494 -9.560 -10.319 1.00 0.00 C ATOM 91 C GLU B 7 -1.544 -10.378 -9.003 1.00 0.00 C ATOM 92 O GLU B 7 -2.092 -11.461 -8.963 1.00 0.00 O ATOM 93 CB GLU B 7 -1.310 -10.490 -11.525 1.00 0.00 C ATOM 94 CG GLU B 7 -1.181 -9.659 -12.812 1.00 0.00 C ATOM 95 CD GLU B 7 -2.491 -8.913 -13.092 1.00 0.00 C ATOM 96 OE1 GLU B 7 -3.545 -9.486 -12.865 1.00 0.00 O ATOM 97 OE2 GLU B 7 -2.419 -7.770 -13.518 1.00 0.00 O ATOM 0 HA GLU B 7 -2.430 -9.002 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.421 -11.105 -11.388 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.159 -11.169 -11.604 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.362 -8.947 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.938 -10.310 -13.652 1.00 0.00 H new ATOM 104 N SER B 8 -0.973 -9.873 -7.931 1.00 0.00 N ATOM 105 CA SER B 8 -0.985 -10.637 -6.634 1.00 0.00 C ATOM 106 C SER B 8 -2.051 -10.082 -5.677 1.00 0.00 C ATOM 107 O SER B 8 -2.636 -9.059 -5.944 1.00 0.00 O ATOM 108 CB SER B 8 0.413 -10.438 -6.044 1.00 0.00 C ATOM 109 OG SER B 8 0.970 -11.710 -5.735 1.00 0.00 O ATOM 0 H SER B 8 -0.501 -8.969 -7.896 1.00 0.00 H new ATOM 0 HA SER B 8 -1.225 -11.689 -6.789 1.00 0.00 H new ATOM 0 HB2 SER B 8 1.050 -9.910 -6.754 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.359 -9.822 -5.146 1.00 0.00 H new ATOM 0 HG SER B 8 1.867 -11.592 -5.358 1.00 0.00 H new ATOM 115 N PRO B 9 -2.273 -10.774 -4.585 1.00 0.00 N ATOM 116 CA PRO B 9 -3.272 -10.345 -3.581 1.00 0.00 C ATOM 117 C PRO B 9 -2.627 -9.645 -2.360 1.00 0.00 C ATOM 118 O PRO B 9 -2.058 -10.293 -1.501 1.00 0.00 O ATOM 119 CB PRO B 9 -3.864 -11.687 -3.152 1.00 0.00 C ATOM 120 CG PRO B 9 -2.782 -12.713 -3.422 1.00 0.00 C ATOM 121 CD PRO B 9 -1.658 -12.026 -4.172 1.00 0.00 C ATOM 0 HA PRO B 9 -3.984 -9.621 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -4.139 -11.675 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -4.769 -11.914 -3.715 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -2.414 -13.133 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.180 -13.541 -4.008 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -0.788 -11.860 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -1.322 -12.614 -5.026 1.00 0.00 H new ATOM 154 N ALA B 11 -3.743 -8.399 0.689 1.00 0.00 N ATOM 155 CA ALA B 11 -4.857 -8.221 1.679 1.00 0.00 C ATOM 156 C ALA B 11 -4.348 -8.297 3.133 1.00 0.00 C ATOM 157 O ALA B 11 -4.981 -7.785 4.038 1.00 0.00 O ATOM 158 CB ALA B 11 -5.819 -9.372 1.392 1.00 0.00 C ATOM 0 HA ALA B 11 -5.327 -7.243 1.578 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -6.667 -9.317 2.075 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.176 -9.300 0.365 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -5.302 -10.322 1.531 1.00 0.00 H new ATOM 164 N ASP B 12 -3.219 -8.925 3.366 1.00 0.00 N ATOM 165 CA ASP B 12 -2.688 -9.028 4.762 1.00 0.00 C ATOM 166 C ASP B 12 -1.322 -8.322 4.896 1.00 0.00 C ATOM 167 O ASP B 12 -0.630 -8.099 3.913 1.00 0.00 O ATOM 168 CB ASP B 12 -2.550 -10.533 5.015 1.00 0.00 C ATOM 169 CG ASP B 12 -3.748 -11.029 5.822 1.00 0.00 C ATOM 170 OD1 ASP B 12 -3.757 -10.811 7.023 1.00 0.00 O ATOM 171 OD2 ASP B 12 -4.634 -11.621 5.228 1.00 0.00 O ATOM 0 H ASP B 12 -2.644 -9.370 2.651 1.00 0.00 H new ATOM 0 HA ASP B 12 -3.346 -8.544 5.484 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -2.491 -11.067 4.067 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -1.625 -10.738 5.554 1.00 0.00 H new ATOM 176 N PRO B 13 -0.983 -7.993 6.126 1.00 0.00 N ATOM 177 CA PRO B 13 0.307 -7.309 6.406 1.00 0.00 C ATOM 178 C PRO B 13 1.486 -8.296 6.263 1.00 0.00 C ATOM 179 O PRO B 13 1.295 -9.465 5.980 1.00 0.00 O ATOM 180 CB PRO B 13 0.159 -6.845 7.855 1.00 0.00 C ATOM 181 CG PRO B 13 -0.843 -7.773 8.462 1.00 0.00 C ATOM 182 CD PRO B 13 -1.758 -8.229 7.355 1.00 0.00 C ATOM 0 HA PRO B 13 0.514 -6.489 5.719 1.00 0.00 H new ATOM 0 HB2 PRO B 13 1.111 -6.893 8.383 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -0.181 -5.811 7.905 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -0.346 -8.625 8.926 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -1.409 -7.269 9.245 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -2.021 -9.281 7.464 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -2.691 -7.665 7.352 1.00 0.00 H new ATOM 243 N GLY A 4 -10.814 2.071 8.793 1.00 0.00 N ATOM 244 CA GLY A 4 -9.940 3.280 8.867 1.00 0.00 C ATOM 245 C GLY A 4 -10.433 4.308 7.854 1.00 0.00 C ATOM 246 O GLY A 4 -11.439 4.948 8.080 1.00 0.00 O ATOM 0 HA2 GLY A 4 -9.962 3.701 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.905 3.010 8.657 1.00 0.00 H new ATOM 250 N ILE A 5 -9.744 4.481 6.740 1.00 0.00 N ATOM 251 CA ILE A 5 -10.188 5.479 5.688 1.00 0.00 C ATOM 252 C ILE A 5 -10.196 6.942 6.212 1.00 0.00 C ATOM 253 O ILE A 5 -9.902 7.862 5.472 1.00 0.00 O ATOM 254 CB ILE A 5 -11.592 5.020 5.273 1.00 0.00 C ATOM 255 CG1 ILE A 5 -11.476 3.896 4.236 1.00 0.00 C ATOM 256 CG2 ILE A 5 -12.375 6.187 4.661 1.00 0.00 C ATOM 257 CD1 ILE A 5 -10.887 2.638 4.890 1.00 0.00 C ATOM 0 H ILE A 5 -8.890 3.974 6.510 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.494 5.496 4.847 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.119 4.660 6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.458 3.673 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.842 4.217 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.369 5.846 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.466 6.989 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.848 6.557 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.808 1.845 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.897 2.864 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.537 2.311 5.702 1.00 0.00 H new ATOM 269 N HIS A 6 -10.499 7.171 7.467 1.00 0.00 N ATOM 270 CA HIS A 6 -10.480 8.563 8.017 1.00 0.00 C ATOM 271 C HIS A 6 -9.224 8.717 8.877 1.00 0.00 C ATOM 272 O HIS A 6 -8.522 9.706 8.805 1.00 0.00 O ATOM 273 CB HIS A 6 -11.758 8.690 8.857 1.00 0.00 C ATOM 274 CG HIS A 6 -12.903 9.141 7.985 1.00 0.00 C ATOM 275 ND1 HIS A 6 -12.808 9.206 6.601 1.00 0.00 N ATOM 276 CD2 HIS A 6 -14.179 9.549 8.289 1.00 0.00 C ATOM 277 CE1 HIS A 6 -13.993 9.638 6.132 1.00 0.00 C ATOM 278 NE2 HIS A 6 -14.864 9.861 7.118 1.00 0.00 N ATOM 0 H HIS A 6 -10.760 6.449 8.138 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.455 9.336 7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.997 7.732 9.319 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.602 9.404 9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.589 9.617 9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.212 9.786 5.085 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.826 10.190 7.032 1.00 0.00 H new ATOM 286 N GLU A 7 -8.914 7.708 9.652 1.00 0.00 N ATOM 287 CA GLU A 7 -7.675 7.744 10.481 1.00 0.00 C ATOM 288 C GLU A 7 -6.482 7.409 9.578 1.00 0.00 C ATOM 289 O GLU A 7 -5.494 8.111 9.557 1.00 0.00 O ATOM 290 CB GLU A 7 -7.870 6.664 11.553 1.00 0.00 C ATOM 291 CG GLU A 7 -6.854 6.859 12.691 1.00 0.00 C ATOM 292 CD GLU A 7 -5.433 6.571 12.195 1.00 0.00 C ATOM 293 OE1 GLU A 7 -5.202 5.482 11.688 1.00 0.00 O ATOM 294 OE2 GLU A 7 -4.593 7.443 12.331 1.00 0.00 O ATOM 0 H GLU A 7 -9.470 6.858 9.745 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.490 8.716 10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.885 6.712 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.747 5.675 11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.914 7.879 13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.097 6.196 13.522 1.00 0.00 H new ATOM 301 N SER A 8 -6.583 6.346 8.811 1.00 0.00 N ATOM 302 CA SER A 8 -5.466 5.972 7.884 1.00 0.00 C ATOM 303 C SER A 8 -5.384 6.976 6.738 1.00 0.00 C ATOM 304 O SER A 8 -6.205 7.866 6.625 1.00 0.00 O ATOM 305 CB SER A 8 -5.818 4.596 7.324 1.00 0.00 C ATOM 306 OG SER A 8 -6.663 3.902 8.231 1.00 0.00 O ATOM 0 H SER A 8 -7.390 5.723 8.788 1.00 0.00 H new ATOM 0 HA SER A 8 -4.508 5.966 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.316 4.703 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.908 4.022 7.150 1.00 0.00 H new ATOM 0 HG SER A 8 -7.033 3.108 7.791 1.00 0.00 H new ATOM 312 N LYS A 9 -4.411 6.846 5.875 1.00 0.00 N ATOM 313 CA LYS A 9 -4.326 7.832 4.746 1.00 0.00 C ATOM 314 C LYS A 9 -3.853 7.231 3.404 1.00 0.00 C ATOM 315 O LYS A 9 -3.808 7.934 2.411 1.00 0.00 O ATOM 316 CB LYS A 9 -3.365 8.928 5.235 1.00 0.00 C ATOM 317 CG LYS A 9 -1.984 8.344 5.550 1.00 0.00 C ATOM 318 CD LYS A 9 -1.204 8.158 4.245 1.00 0.00 C ATOM 319 CE LYS A 9 -0.727 6.706 4.130 1.00 0.00 C ATOM 320 NZ LYS A 9 0.605 6.754 3.456 1.00 0.00 N ATOM 0 H LYS A 9 -3.690 6.125 5.895 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.322 8.211 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.272 9.702 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.774 9.405 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.440 9.009 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.089 7.388 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.835 8.412 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.350 8.834 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.648 6.244 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.433 6.109 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.565 6.212 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.853 7.742 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.326 6.342 4.082 1.00 0.00 H new ATOM 334 N GLU A 10 -3.520 5.966 3.326 1.00 0.00 N ATOM 335 CA GLU A 10 -3.077 5.402 2.001 1.00 0.00 C ATOM 336 C GLU A 10 -4.309 5.056 1.146 1.00 0.00 C ATOM 337 O GLU A 10 -4.475 3.944 0.678 1.00 0.00 O ATOM 338 CB GLU A 10 -2.263 4.151 2.348 1.00 0.00 C ATOM 339 CG GLU A 10 -1.394 3.732 1.148 1.00 0.00 C ATOM 340 CD GLU A 10 -0.537 4.907 0.671 1.00 0.00 C ATOM 341 OE1 GLU A 10 0.269 5.390 1.455 1.00 0.00 O ATOM 342 OE2 GLU A 10 -0.697 5.300 -0.474 1.00 0.00 O ATOM 0 H GLU A 10 -3.533 5.306 4.103 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.482 6.106 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.630 4.349 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.933 3.337 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.752 2.897 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.030 3.384 0.334 1.00 0.00 H new ATOM 349 N TRP A 11 -5.182 6.016 0.962 1.00 0.00 N ATOM 350 CA TRP A 11 -6.425 5.785 0.160 1.00 0.00 C ATOM 351 C TRP A 11 -6.326 6.411 -1.237 1.00 0.00 C ATOM 352 O TRP A 11 -6.902 5.909 -2.188 1.00 0.00 O ATOM 353 CB TRP A 11 -7.556 6.428 0.986 1.00 0.00 C ATOM 354 CG TRP A 11 -7.514 7.923 0.895 1.00 0.00 C ATOM 355 CD1 TRP A 11 -6.841 8.735 1.743 1.00 0.00 C ATOM 356 CD2 TRP A 11 -8.170 8.793 -0.071 1.00 0.00 C ATOM 357 NE1 TRP A 11 -7.039 10.048 1.357 1.00 0.00 N ATOM 358 CE2 TRP A 11 -7.849 10.135 0.243 1.00 0.00 C ATOM 359 CE3 TRP A 11 -9.002 8.552 -1.180 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -8.335 11.198 -0.512 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -9.493 9.622 -1.944 1.00 0.00 C ATOM 362 CH2 TRP A 11 -9.161 10.943 -1.609 1.00 0.00 C ATOM 0 H TRP A 11 -5.086 6.960 1.337 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.599 4.723 -0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.520 6.067 0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.467 6.122 2.028 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.246 8.410 2.584 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.636 10.853 1.837 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.264 7.538 -1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -8.075 12.213 -0.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -10.130 9.427 -2.794 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.544 11.763 -2.199 1.00 0.00 H new ATOM 373 N TYR A 12 -5.628 7.514 -1.358 1.00 0.00 N ATOM 374 CA TYR A 12 -5.506 8.204 -2.680 1.00 0.00 C ATOM 375 C TYR A 12 -4.796 7.310 -3.712 1.00 0.00 C ATOM 376 O TYR A 12 -3.637 7.502 -4.026 1.00 0.00 O ATOM 377 CB TYR A 12 -4.686 9.469 -2.390 1.00 0.00 C ATOM 378 CG TYR A 12 -5.051 10.556 -3.380 1.00 0.00 C ATOM 379 CD1 TYR A 12 -6.397 10.864 -3.626 1.00 0.00 C ATOM 380 CD2 TYR A 12 -4.042 11.249 -4.062 1.00 0.00 C ATOM 381 CE1 TYR A 12 -6.729 11.864 -4.552 1.00 0.00 C ATOM 382 CE2 TYR A 12 -4.377 12.244 -4.988 1.00 0.00 C ATOM 383 CZ TYR A 12 -5.719 12.550 -5.233 1.00 0.00 C ATOM 384 OH TYR A 12 -6.048 13.520 -6.155 1.00 0.00 O ATOM 0 H TYR A 12 -5.134 7.969 -0.591 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.481 8.437 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.877 9.812 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.621 9.246 -2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.177 10.332 -3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.005 11.015 -3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.765 12.104 -4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.598 12.776 -5.514 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.229 13.899 -6.537 1.00 0.00 H new ATOM 394 N HIS A 13 -5.492 6.343 -4.252 1.00 0.00 N ATOM 395 CA HIS A 13 -4.868 5.449 -5.272 1.00 0.00 C ATOM 396 C HIS A 13 -5.387 5.824 -6.672 1.00 0.00 C ATOM 397 O HIS A 13 -6.206 5.140 -7.264 1.00 0.00 O ATOM 398 CB HIS A 13 -5.273 4.015 -4.859 1.00 0.00 C ATOM 399 CG HIS A 13 -6.770 3.818 -4.936 1.00 0.00 C ATOM 400 ND1 HIS A 13 -7.630 4.254 -3.941 1.00 0.00 N ATOM 401 CD2 HIS A 13 -7.567 3.223 -5.883 1.00 0.00 C ATOM 402 CE1 HIS A 13 -8.881 3.922 -4.311 1.00 0.00 C ATOM 403 NE2 HIS A 13 -8.898 3.290 -5.486 1.00 0.00 N ATOM 0 H HIS A 13 -6.465 6.134 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.783 5.540 -5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.776 3.294 -5.509 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.931 3.817 -3.843 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -7.364 4.739 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.213 2.771 -6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.763 4.141 -3.728 1.00 0.00 H new ATOM 411 N ALA A 14 -4.904 6.917 -7.212 1.00 0.00 N ATOM 412 CA ALA A 14 -5.357 7.358 -8.570 1.00 0.00 C ATOM 413 C ALA A 14 -4.484 8.511 -9.093 1.00 0.00 C ATOM 414 O ALA A 14 -3.760 8.354 -10.058 1.00 0.00 O ATOM 415 CB ALA A 14 -6.806 7.819 -8.376 1.00 0.00 C ATOM 0 H ALA A 14 -4.214 7.524 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.277 6.557 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.211 8.159 -9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.405 6.988 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.834 8.638 -7.658 1.00 0.00 H new ATOM 421 N SER A 15 -4.550 9.670 -8.474 1.00 0.00 N ATOM 422 CA SER A 15 -3.724 10.824 -8.958 1.00 0.00 C ATOM 423 C SER A 15 -2.259 10.659 -8.534 1.00 0.00 C ATOM 424 O SER A 15 -1.773 11.353 -7.661 1.00 0.00 O ATOM 425 CB SER A 15 -4.315 12.087 -8.310 1.00 0.00 C ATOM 426 OG SER A 15 -5.741 12.048 -8.355 1.00 0.00 O ATOM 0 H SER A 15 -5.135 9.864 -7.662 1.00 0.00 H new ATOM 0 HA SER A 15 -3.745 10.884 -10.046 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.979 12.164 -7.276 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.952 12.974 -8.830 1.00 0.00 H new ATOM 0 HG SER A 15 -6.105 12.425 -7.527 1.00 0.00 H new ATOM 432 N LEU A 16 -1.554 9.757 -9.158 1.00 0.00 N ATOM 433 CA LEU A 16 -0.113 9.548 -8.817 1.00 0.00 C ATOM 434 C LEU A 16 0.597 8.857 -9.986 1.00 0.00 C ATOM 435 O LEU A 16 -0.014 8.533 -10.990 1.00 0.00 O ATOM 436 CB LEU A 16 -0.102 8.671 -7.547 1.00 0.00 C ATOM 437 CG LEU A 16 -0.135 7.173 -7.910 1.00 0.00 C ATOM 438 CD1 LEU A 16 0.802 6.391 -6.975 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.564 6.644 -7.759 1.00 0.00 C ATOM 0 H LEU A 16 -1.914 9.150 -9.895 1.00 0.00 H new ATOM 0 HA LEU A 16 0.413 10.486 -8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.790 8.887 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.962 8.917 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 16 0.196 7.044 -8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.775 5.333 -7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.820 6.766 -7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.476 6.519 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.589 5.585 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.894 6.776 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.228 7.194 -8.426 1.00 0.00 H new ATOM 451 N THR A 17 1.872 8.610 -9.864 1.00 0.00 N ATOM 452 CA THR A 17 2.597 7.923 -10.971 1.00 0.00 C ATOM 453 C THR A 17 2.338 6.422 -10.910 1.00 0.00 C ATOM 454 O THR A 17 2.000 5.874 -9.877 1.00 0.00 O ATOM 455 CB THR A 17 4.089 8.197 -10.751 1.00 0.00 C ATOM 456 OG1 THR A 17 4.419 7.973 -9.388 1.00 0.00 O ATOM 457 CG2 THR A 17 4.410 9.644 -11.123 1.00 0.00 C ATOM 0 H THR A 17 2.440 8.852 -9.052 1.00 0.00 H new ATOM 0 HA THR A 17 2.264 8.285 -11.943 1.00 0.00 H new ATOM 0 HB THR A 17 4.673 7.526 -11.381 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.373 8.147 -9.250 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.472 9.833 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.163 9.813 -12.171 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.824 10.319 -10.499 1.00 0.00 H new ATOM 465 N ARG A 18 2.518 5.756 -12.009 1.00 0.00 N ATOM 466 CA ARG A 18 2.319 4.283 -12.046 1.00 0.00 C ATOM 467 C ARG A 18 3.513 3.605 -11.351 1.00 0.00 C ATOM 468 O ARG A 18 3.993 4.083 -10.339 1.00 0.00 O ATOM 469 CB ARG A 18 2.217 3.931 -13.533 1.00 0.00 C ATOM 470 CG ARG A 18 0.991 4.631 -14.134 1.00 0.00 C ATOM 471 CD ARG A 18 0.923 4.360 -15.638 1.00 0.00 C ATOM 472 NE ARG A 18 0.176 3.074 -15.758 1.00 0.00 N ATOM 473 CZ ARG A 18 0.794 1.950 -15.585 1.00 0.00 C ATOM 474 NH1 ARG A 18 1.491 1.443 -16.546 1.00 0.00 N ATOM 475 NH2 ARG A 18 0.700 1.329 -14.454 1.00 0.00 N ATOM 0 H ARG A 18 2.798 6.173 -12.897 1.00 0.00 H new ATOM 0 HA ARG A 18 1.426 3.944 -11.522 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.121 4.243 -14.056 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.132 2.852 -13.659 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.083 4.273 -13.650 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.048 5.704 -13.951 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.410 5.166 -16.163 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.920 4.281 -16.072 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.820 3.081 -15.976 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.554 1.928 -17.441 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.978 0.557 -16.410 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.139 1.725 -13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.187 0.443 -14.317 1.00 0.00 H new ATOM 489 N ALA A 19 3.976 2.488 -11.853 1.00 0.00 N ATOM 490 CA ALA A 19 5.117 1.757 -11.205 1.00 0.00 C ATOM 491 C ALA A 19 6.264 2.704 -10.795 1.00 0.00 C ATOM 492 O ALA A 19 7.087 2.345 -9.968 1.00 0.00 O ATOM 493 CB ALA A 19 5.588 0.766 -12.272 1.00 0.00 C ATOM 0 H ALA A 19 3.610 2.043 -12.695 1.00 0.00 H new ATOM 0 HA ALA A 19 4.805 1.272 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.425 0.185 -11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.769 0.095 -12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.906 1.312 -13.160 1.00 0.00 H new ATOM 499 N GLN A 20 6.321 3.910 -11.319 1.00 0.00 N ATOM 500 CA GLN A 20 7.396 4.859 -10.892 1.00 0.00 C ATOM 501 C GLN A 20 7.288 5.064 -9.370 1.00 0.00 C ATOM 502 O GLN A 20 8.253 4.912 -8.646 1.00 0.00 O ATOM 503 CB GLN A 20 7.107 6.168 -11.637 1.00 0.00 C ATOM 504 CG GLN A 20 7.300 5.970 -13.147 1.00 0.00 C ATOM 505 CD GLN A 20 5.938 5.914 -13.842 1.00 0.00 C ATOM 506 OE1 GLN A 20 4.968 5.462 -13.271 1.00 0.00 O ATOM 507 NE2 GLN A 20 5.820 6.357 -15.057 1.00 0.00 N ATOM 0 H GLN A 20 5.673 4.273 -12.018 1.00 0.00 H new ATOM 0 HA GLN A 20 8.400 4.497 -11.115 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.087 6.494 -11.433 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.771 6.954 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.894 6.787 -13.557 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.852 5.049 -13.334 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.632 6.738 -15.542 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.915 6.324 -15.526 1.00 0.00 H new ATOM 516 N ALA A 21 6.103 5.370 -8.882 1.00 0.00 N ATOM 517 CA ALA A 21 5.909 5.546 -7.404 1.00 0.00 C ATOM 518 C ALA A 21 6.324 4.265 -6.673 1.00 0.00 C ATOM 519 O ALA A 21 6.941 4.313 -5.624 1.00 0.00 O ATOM 520 CB ALA A 21 4.415 5.813 -7.221 1.00 0.00 C ATOM 0 H ALA A 21 5.263 5.505 -9.445 1.00 0.00 H new ATOM 0 HA ALA A 21 6.512 6.359 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.197 5.952 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.136 6.712 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.845 4.965 -7.600 1.00 0.00 H new ATOM 526 N GLU A 22 6.009 3.119 -7.236 1.00 0.00 N ATOM 527 CA GLU A 22 6.405 1.831 -6.590 1.00 0.00 C ATOM 528 C GLU A 22 7.923 1.729 -6.552 1.00 0.00 C ATOM 529 O GLU A 22 8.498 1.425 -5.529 1.00 0.00 O ATOM 530 CB GLU A 22 5.815 0.717 -7.457 1.00 0.00 C ATOM 531 CG GLU A 22 4.541 0.201 -6.792 1.00 0.00 C ATOM 532 CD GLU A 22 4.676 -1.291 -6.445 1.00 0.00 C ATOM 533 OE1 GLU A 22 5.358 -1.596 -5.480 1.00 0.00 O ATOM 534 OE2 GLU A 22 4.089 -2.105 -7.144 1.00 0.00 O ATOM 0 H GLU A 22 5.496 3.024 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 22 6.040 1.761 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.594 1.093 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.535 -0.093 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.340 0.773 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.691 0.349 -7.458 1.00 0.00 H new ATOM 541 N HIS A 23 8.580 2.005 -7.647 1.00 0.00 N ATOM 542 CA HIS A 23 10.069 1.942 -7.644 1.00 0.00 C ATOM 543 C HIS A 23 10.607 3.008 -6.682 1.00 0.00 C ATOM 544 O HIS A 23 11.575 2.786 -5.975 1.00 0.00 O ATOM 545 CB HIS A 23 10.497 2.228 -9.089 1.00 0.00 C ATOM 546 CG HIS A 23 10.233 1.018 -9.943 1.00 0.00 C ATOM 547 ND1 HIS A 23 9.003 0.790 -10.532 1.00 0.00 N ATOM 548 CD2 HIS A 23 11.032 -0.031 -10.324 1.00 0.00 C ATOM 549 CE1 HIS A 23 9.094 -0.356 -11.236 1.00 0.00 C ATOM 550 NE2 HIS A 23 10.311 -0.897 -11.142 1.00 0.00 N ATOM 0 H HIS A 23 8.154 2.269 -8.535 1.00 0.00 H new ATOM 0 HA HIS A 23 10.454 0.977 -7.313 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.949 3.086 -9.478 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.556 2.484 -9.121 1.00 0.00 H new ATOM 0 HD1 HIS A 23 8.176 1.382 -10.449 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.064 -0.164 -10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.282 -0.784 -11.806 1.00 0.00 H new ATOM 558 N MET A 24 9.968 4.156 -6.631 1.00 0.00 N ATOM 559 CA MET A 24 10.432 5.228 -5.699 1.00 0.00 C ATOM 560 C MET A 24 10.239 4.783 -4.241 1.00 0.00 C ATOM 561 O MET A 24 11.133 4.913 -3.429 1.00 0.00 O ATOM 562 CB MET A 24 9.571 6.463 -6.050 1.00 0.00 C ATOM 563 CG MET A 24 8.777 6.974 -4.832 1.00 0.00 C ATOM 564 SD MET A 24 8.404 8.728 -5.064 1.00 0.00 S ATOM 565 CE MET A 24 6.940 8.786 -4.005 1.00 0.00 C ATOM 0 H MET A 24 9.150 4.393 -7.193 1.00 0.00 H new ATOM 0 HA MET A 24 11.494 5.450 -5.804 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.214 7.259 -6.424 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.880 6.207 -6.853 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.854 6.405 -4.719 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.355 6.830 -3.919 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.535 9.798 -3.999 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.187 8.096 -4.387 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.214 8.499 -2.990 1.00 0.00 H new ATOM 575 N LEU A 25 9.088 4.258 -3.901 1.00 0.00 N ATOM 576 CA LEU A 25 8.859 3.823 -2.490 1.00 0.00 C ATOM 577 C LEU A 25 9.616 2.541 -2.169 1.00 0.00 C ATOM 578 O LEU A 25 10.114 2.381 -1.077 1.00 0.00 O ATOM 579 CB LEU A 25 7.356 3.626 -2.358 1.00 0.00 C ATOM 580 CG LEU A 25 6.656 4.958 -2.039 1.00 0.00 C ATOM 581 CD1 LEU A 25 5.472 4.670 -1.135 1.00 0.00 C ATOM 582 CD2 LEU A 25 7.578 5.941 -1.302 1.00 0.00 C ATOM 0 H LEU A 25 8.302 4.113 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 25 9.228 4.566 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.956 3.213 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.147 2.903 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 25 6.357 5.411 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.961 5.603 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.781 3.998 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.822 4.202 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.037 6.865 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.904 5.498 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.448 6.158 -1.922 1.00 0.00 H new ATOM 594 N MET A 26 9.738 1.633 -3.092 1.00 0.00 N ATOM 595 CA MET A 26 10.515 0.401 -2.777 1.00 0.00 C ATOM 596 C MET A 26 11.981 0.801 -2.545 1.00 0.00 C ATOM 597 O MET A 26 12.652 0.285 -1.666 1.00 0.00 O ATOM 598 CB MET A 26 10.376 -0.497 -4.013 1.00 0.00 C ATOM 599 CG MET A 26 9.923 -1.892 -3.586 1.00 0.00 C ATOM 600 SD MET A 26 8.307 -1.783 -2.777 1.00 0.00 S ATOM 601 CE MET A 26 7.534 -3.181 -3.625 1.00 0.00 C ATOM 0 H MET A 26 9.344 1.684 -4.032 1.00 0.00 H new ATOM 0 HA MET A 26 10.163 -0.116 -1.884 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.655 -0.067 -4.708 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.329 -0.558 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.863 -2.548 -4.455 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.653 -2.330 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.451 -3.057 -3.619 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.888 -3.223 -4.655 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.796 -4.107 -3.113 1.00 0.00 H new ATOM 611 N ARG A 27 12.476 1.717 -3.346 1.00 0.00 N ATOM 612 CA ARG A 27 13.894 2.172 -3.215 1.00 0.00 C ATOM 613 C ARG A 27 14.111 3.269 -2.144 1.00 0.00 C ATOM 614 O ARG A 27 15.248 3.518 -1.773 1.00 0.00 O ATOM 615 CB ARG A 27 14.271 2.687 -4.611 1.00 0.00 C ATOM 616 CG ARG A 27 13.875 4.164 -4.759 1.00 0.00 C ATOM 617 CD ARG A 27 15.130 5.039 -4.679 1.00 0.00 C ATOM 618 NE ARG A 27 14.870 5.988 -3.558 1.00 0.00 N ATOM 619 CZ ARG A 27 15.857 6.444 -2.850 1.00 0.00 C ATOM 620 NH1 ARG A 27 16.414 5.687 -1.958 1.00 0.00 N ATOM 621 NH2 ARG A 27 16.281 7.652 -3.043 1.00 0.00 N ATOM 0 H ARG A 27 11.950 2.172 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 27 14.521 1.348 -2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.343 2.573 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.770 2.091 -5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.368 4.322 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.173 4.444 -3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.019 4.437 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.300 5.571 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 27 13.915 6.279 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.076 4.735 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.190 6.043 -1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.839 8.241 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.057 8.015 -2.489 1.00 0.00 H new ATOM 635 N VAL A 28 13.086 3.984 -1.687 1.00 0.00 N ATOM 636 CA VAL A 28 13.353 5.094 -0.689 1.00 0.00 C ATOM 637 C VAL A 28 14.344 4.682 0.414 1.00 0.00 C ATOM 638 O VAL A 28 14.510 3.513 0.721 1.00 0.00 O ATOM 639 CB VAL A 28 12.017 5.488 -0.062 1.00 0.00 C ATOM 640 CG1 VAL A 28 11.203 6.290 -1.075 1.00 0.00 C ATOM 641 CG2 VAL A 28 11.246 4.246 0.380 1.00 0.00 C ATOM 0 H VAL A 28 12.110 3.852 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 28 13.811 5.930 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 28 12.201 6.102 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.248 6.574 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.754 7.188 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.025 5.682 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.297 4.546 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.057 3.609 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.833 3.696 1.115 1.00 0.00 H new ATOM 651 N PRO A 29 14.978 5.687 0.974 1.00 0.00 N ATOM 652 CA PRO A 29 15.993 5.474 2.048 1.00 0.00 C ATOM 653 C PRO A 29 15.385 4.865 3.325 1.00 0.00 C ATOM 654 O PRO A 29 16.086 4.289 4.128 1.00 0.00 O ATOM 655 CB PRO A 29 16.517 6.887 2.317 1.00 0.00 C ATOM 656 CG PRO A 29 15.422 7.794 1.863 1.00 0.00 C ATOM 657 CD PRO A 29 14.803 7.119 0.676 1.00 0.00 C ATOM 0 HA PRO A 29 16.766 4.767 1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.738 7.032 3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.440 7.077 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.687 7.947 2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.812 8.776 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.751 7.382 0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.300 7.401 -0.252 1.00 0.00 H new ATOM 665 N ARG A 30 14.103 4.991 3.537 1.00 0.00 N ATOM 666 CA ARG A 30 13.508 4.425 4.789 1.00 0.00 C ATOM 667 C ARG A 30 12.767 3.111 4.532 1.00 0.00 C ATOM 668 O ARG A 30 11.842 3.058 3.743 1.00 0.00 O ATOM 669 CB ARG A 30 12.521 5.493 5.266 1.00 0.00 C ATOM 670 CG ARG A 30 12.995 6.066 6.600 1.00 0.00 C ATOM 671 CD ARG A 30 11.845 6.049 7.609 1.00 0.00 C ATOM 672 NE ARG A 30 12.472 6.448 8.906 1.00 0.00 N ATOM 673 CZ ARG A 30 11.742 6.920 9.870 1.00 0.00 C ATOM 674 NH1 ARG A 30 10.995 7.962 9.678 1.00 0.00 N ATOM 675 NH2 ARG A 30 11.773 6.353 11.033 1.00 0.00 N ATOM 0 H ARG A 30 13.446 5.454 2.909 1.00 0.00 H new ATOM 0 HA ARG A 30 14.282 4.195 5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.442 6.288 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.527 5.061 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.833 5.482 6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.354 7.086 6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.055 6.743 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.392 5.060 7.676 1.00 0.00 H new ATOM 0 HE ARG A 30 13.479 6.349 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.978 8.416 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.424 8.327 10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.369 5.540 11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.202 6.719 11.794 1.00 0.00 H new ATOM 689 N ASP A 31 13.129 2.058 5.224 1.00 0.00 N ATOM 690 CA ASP A 31 12.387 0.775 5.037 1.00 0.00 C ATOM 691 C ASP A 31 10.984 0.988 5.614 1.00 0.00 C ATOM 692 O ASP A 31 10.823 1.245 6.792 1.00 0.00 O ATOM 693 CB ASP A 31 13.149 -0.304 5.834 1.00 0.00 C ATOM 694 CG ASP A 31 14.658 -0.085 5.728 1.00 0.00 C ATOM 695 OD1 ASP A 31 15.250 -0.584 4.784 1.00 0.00 O ATOM 696 OD2 ASP A 31 15.191 0.591 6.595 1.00 0.00 O ATOM 0 H ASP A 31 13.893 2.031 5.899 1.00 0.00 H new ATOM 0 HA ASP A 31 12.310 0.469 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.844 -0.274 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.892 -1.293 5.455 1.00 0.00 H new ATOM 701 N GLY A 32 9.978 0.925 4.789 1.00 0.00 N ATOM 702 CA GLY A 32 8.590 1.170 5.281 1.00 0.00 C ATOM 703 C GLY A 32 7.902 2.170 4.353 1.00 0.00 C ATOM 704 O GLY A 32 7.799 3.344 4.656 1.00 0.00 O ATOM 0 H GLY A 32 10.054 0.714 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.030 0.235 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.615 1.557 6.300 1.00 0.00 H new ATOM 708 N ALA A 33 7.436 1.705 3.226 1.00 0.00 N ATOM 709 CA ALA A 33 6.750 2.603 2.250 1.00 0.00 C ATOM 710 C ALA A 33 5.381 2.017 1.876 1.00 0.00 C ATOM 711 O ALA A 33 5.181 0.823 1.937 1.00 0.00 O ATOM 712 CB ALA A 33 7.676 2.629 1.033 1.00 0.00 C ATOM 0 H ALA A 33 7.502 0.729 2.935 1.00 0.00 H new ATOM 0 HA ALA A 33 6.571 3.602 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.246 3.269 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.651 3.018 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.791 1.618 0.642 1.00 0.00 H new ATOM 718 N PHE A 34 4.445 2.848 1.496 1.00 0.00 N ATOM 719 CA PHE A 34 3.075 2.349 1.121 1.00 0.00 C ATOM 720 C PHE A 34 2.547 3.193 -0.040 1.00 0.00 C ATOM 721 O PHE A 34 2.615 4.409 0.006 1.00 0.00 O ATOM 722 CB PHE A 34 2.188 2.535 2.371 1.00 0.00 C ATOM 723 CG PHE A 34 3.044 2.811 3.591 1.00 0.00 C ATOM 724 CD1 PHE A 34 3.469 4.116 3.864 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.430 1.761 4.427 1.00 0.00 C ATOM 726 CE1 PHE A 34 4.279 4.369 4.977 1.00 0.00 C ATOM 727 CE2 PHE A 34 4.235 2.014 5.539 1.00 0.00 C ATOM 728 CZ PHE A 34 4.662 3.318 5.816 1.00 0.00 C ATOM 0 H PHE A 34 4.566 3.858 1.427 1.00 0.00 H new ATOM 0 HA PHE A 34 3.085 1.305 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.493 3.360 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.588 1.640 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.172 4.928 3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.106 0.753 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.608 5.376 5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.529 1.202 6.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.286 3.512 6.676 1.00 0.00 H new ATOM 738 N LEU A 35 2.043 2.584 -1.092 1.00 0.00 N ATOM 739 CA LEU A 35 1.556 3.417 -2.237 1.00 0.00 C ATOM 740 C LEU A 35 0.709 2.599 -3.212 1.00 0.00 C ATOM 741 O LEU A 35 1.127 1.561 -3.699 1.00 0.00 O ATOM 742 CB LEU A 35 2.838 3.905 -2.927 1.00 0.00 C ATOM 743 CG LEU A 35 2.603 5.258 -3.612 1.00 0.00 C ATOM 744 CD1 LEU A 35 2.107 6.285 -2.588 1.00 0.00 C ATOM 745 CD2 LEU A 35 3.922 5.753 -4.221 1.00 0.00 C ATOM 0 H LEU A 35 1.950 1.575 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 35 0.917 4.232 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.639 3.997 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.163 3.170 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 35 1.853 5.137 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.943 7.242 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.171 5.938 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.853 6.406 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.759 6.714 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.666 5.867 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.278 5.030 -4.954 1.00 0.00 H new ATOM 757 N VAL A 36 -0.469 3.071 -3.515 1.00 0.00 N ATOM 758 CA VAL A 36 -1.343 2.343 -4.478 1.00 0.00 C ATOM 759 C VAL A 36 -1.484 3.179 -5.754 1.00 0.00 C ATOM 760 O VAL A 36 -1.970 4.293 -5.730 1.00 0.00 O ATOM 761 CB VAL A 36 -2.687 2.173 -3.770 1.00 0.00 C ATOM 762 CG1 VAL A 36 -3.487 1.083 -4.479 1.00 0.00 C ATOM 763 CG2 VAL A 36 -2.459 1.757 -2.311 1.00 0.00 C ATOM 0 H VAL A 36 -0.865 3.931 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.939 1.373 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.231 3.117 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.448 0.955 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.652 1.370 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.933 0.145 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.421 1.638 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.916 0.812 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.878 2.525 -1.800 1.00 0.00 H new ATOM 773 N ARG A 37 -1.027 2.653 -6.856 1.00 0.00 N ATOM 774 CA ARG A 37 -1.081 3.405 -8.151 1.00 0.00 C ATOM 775 C ARG A 37 -1.861 2.627 -9.221 1.00 0.00 C ATOM 776 O ARG A 37 -2.132 1.449 -9.073 1.00 0.00 O ATOM 777 CB ARG A 37 0.381 3.586 -8.562 1.00 0.00 C ATOM 778 CG ARG A 37 0.831 2.395 -9.405 1.00 0.00 C ATOM 779 CD ARG A 37 2.236 1.986 -8.994 1.00 0.00 C ATOM 780 NE ARG A 37 2.481 0.727 -9.746 1.00 0.00 N ATOM 781 CZ ARG A 37 2.735 -0.364 -9.103 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.049 -0.669 -8.046 1.00 0.00 N ATOM 783 NH2 ARG A 37 3.668 -1.153 -9.517 1.00 0.00 N ATOM 0 H ARG A 37 -0.613 1.723 -6.920 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.599 4.358 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.498 4.510 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.009 3.675 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.144 1.560 -9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.812 2.656 -10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.966 2.753 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.307 1.828 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 37 2.449 0.725 -10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.308 -0.047 -7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.250 -1.531 -7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.204 -0.915 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.869 -2.015 -9.010 1.00 0.00 H new ATOM 797 N LYS A 38 -2.216 3.279 -10.301 1.00 0.00 N ATOM 798 CA LYS A 38 -2.980 2.584 -11.381 1.00 0.00 C ATOM 799 C LYS A 38 -2.029 1.709 -12.216 1.00 0.00 C ATOM 800 O LYS A 38 -0.961 2.131 -12.636 1.00 0.00 O ATOM 801 CB LYS A 38 -3.567 3.720 -12.236 1.00 0.00 C ATOM 802 CG LYS A 38 -4.938 3.309 -12.795 1.00 0.00 C ATOM 803 CD LYS A 38 -4.771 2.266 -13.912 1.00 0.00 C ATOM 804 CE LYS A 38 -5.806 1.140 -13.735 1.00 0.00 C ATOM 805 NZ LYS A 38 -5.111 -0.123 -14.143 1.00 0.00 N ATOM 0 H LYS A 38 -2.010 4.262 -10.480 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.756 1.925 -10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.667 4.623 -11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.888 3.957 -13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.556 2.899 -11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.458 4.186 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.898 2.739 -14.886 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.763 1.852 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.147 1.082 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.687 1.318 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.689 -0.626 -14.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.185 0.108 -14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.975 -0.730 -13.309 1.00 0.00 H new ATOM 819 N ARG A 39 -2.419 0.481 -12.440 1.00 0.00 N ATOM 820 CA ARG A 39 -1.574 -0.470 -13.223 1.00 0.00 C ATOM 821 C ARG A 39 -1.885 -0.347 -14.714 1.00 0.00 C ATOM 822 O ARG A 39 -2.925 0.163 -15.091 1.00 0.00 O ATOM 823 CB ARG A 39 -1.965 -1.852 -12.692 1.00 0.00 C ATOM 824 CG ARG A 39 -1.120 -2.927 -13.370 1.00 0.00 C ATOM 825 CD ARG A 39 -1.399 -4.285 -12.726 1.00 0.00 C ATOM 826 NE ARG A 39 -0.387 -5.199 -13.335 1.00 0.00 N ATOM 827 CZ ARG A 39 -0.390 -5.418 -14.611 1.00 0.00 C ATOM 828 NH1 ARG A 39 0.270 -4.646 -15.405 1.00 0.00 N ATOM 829 NH2 ARG A 39 -1.049 -6.413 -15.095 1.00 0.00 N ATOM 0 H ARG A 39 -3.301 0.091 -12.108 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.507 -0.277 -13.114 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.820 -1.891 -11.612 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.023 -2.037 -12.879 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.349 -2.965 -14.435 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.062 -2.682 -13.280 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.293 -4.240 -11.642 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.415 -4.622 -12.933 1.00 0.00 H new ATOM 0 HE ARG A 39 0.309 -5.652 -12.743 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.798 -3.858 -15.029 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.264 -4.823 -16.410 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.570 -7.031 -14.473 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.050 -6.583 -16.101 1.00 0.00 H new ATOM 843 N ASN A 40 -1.003 -0.795 -15.568 1.00 0.00 N ATOM 844 CA ASN A 40 -1.276 -0.681 -17.034 1.00 0.00 C ATOM 845 C ASN A 40 -2.524 -1.489 -17.422 1.00 0.00 C ATOM 846 O ASN A 40 -3.351 -1.026 -18.183 1.00 0.00 O ATOM 847 CB ASN A 40 -0.025 -1.225 -17.733 1.00 0.00 C ATOM 848 CG ASN A 40 0.199 -0.446 -19.029 1.00 0.00 C ATOM 849 OD1 ASN A 40 0.775 0.619 -19.015 1.00 0.00 O ATOM 850 ND2 ASN A 40 -0.241 -0.927 -20.155 1.00 0.00 N ATOM 0 H ASN A 40 -0.115 -1.230 -15.320 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.477 0.350 -17.327 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.843 -1.128 -17.081 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.145 -2.287 -17.948 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.100 -0.407 -21.021 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.727 -1.824 -20.171 1.00 0.00 H new ATOM 857 N GLU A 41 -2.671 -2.683 -16.899 1.00 0.00 N ATOM 858 CA GLU A 41 -3.877 -3.510 -17.231 1.00 0.00 C ATOM 859 C GLU A 41 -5.153 -2.785 -16.753 1.00 0.00 C ATOM 860 O GLU A 41 -5.139 -2.105 -15.740 1.00 0.00 O ATOM 861 CB GLU A 41 -3.689 -4.844 -16.463 1.00 0.00 C ATOM 862 CG GLU A 41 -3.116 -5.949 -17.380 1.00 0.00 C ATOM 863 CD GLU A 41 -1.937 -5.407 -18.198 1.00 0.00 C ATOM 864 OE1 GLU A 41 -0.848 -5.321 -17.645 1.00 0.00 O ATOM 865 OE2 GLU A 41 -2.140 -5.094 -19.357 1.00 0.00 O ATOM 0 H GLU A 41 -2.010 -3.121 -16.258 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.980 -3.678 -18.303 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.019 -4.687 -15.618 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.646 -5.168 -16.055 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.790 -6.797 -16.778 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.894 -6.314 -18.050 1.00 0.00 H new ATOM 872 N PRO A 42 -6.227 -2.957 -17.488 1.00 0.00 N ATOM 873 CA PRO A 42 -7.517 -2.307 -17.112 1.00 0.00 C ATOM 874 C PRO A 42 -7.999 -2.835 -15.756 1.00 0.00 C ATOM 875 O PRO A 42 -7.787 -3.992 -15.434 1.00 0.00 O ATOM 876 CB PRO A 42 -8.461 -2.703 -18.250 1.00 0.00 C ATOM 877 CG PRO A 42 -7.855 -3.942 -18.825 1.00 0.00 C ATOM 878 CD PRO A 42 -6.364 -3.765 -18.708 1.00 0.00 C ATOM 0 HA PRO A 42 -7.447 -1.225 -16.997 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.470 -2.889 -17.882 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.535 -1.913 -18.998 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.187 -4.827 -18.282 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.152 -4.076 -19.865 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.849 -4.721 -18.620 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.947 -3.258 -19.578 1.00 0.00 H new ATOM 886 N ASN A 43 -8.617 -1.991 -14.948 1.00 0.00 N ATOM 887 CA ASN A 43 -9.098 -2.418 -13.580 1.00 0.00 C ATOM 888 C ASN A 43 -7.895 -2.735 -12.675 1.00 0.00 C ATOM 889 O ASN A 43 -7.743 -2.181 -11.601 1.00 0.00 O ATOM 890 CB ASN A 43 -9.946 -3.681 -13.801 1.00 0.00 C ATOM 891 CG ASN A 43 -11.120 -3.374 -14.740 1.00 0.00 C ATOM 892 OD1 ASN A 43 -10.929 -3.109 -15.909 1.00 0.00 O ATOM 893 ND2 ASN A 43 -12.337 -3.400 -14.277 1.00 0.00 N ATOM 0 H ASN A 43 -8.810 -1.017 -15.179 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.676 -1.632 -13.094 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.329 -4.473 -14.226 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.321 -4.048 -12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.122 -3.198 -14.896 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.505 -3.622 -13.296 1.00 0.00 H new ATOM 900 N SER A 44 -7.052 -3.628 -13.127 1.00 0.00 N ATOM 901 CA SER A 44 -5.830 -4.045 -12.368 1.00 0.00 C ATOM 902 C SER A 44 -5.100 -2.864 -11.711 1.00 0.00 C ATOM 903 O SER A 44 -4.921 -1.801 -12.293 1.00 0.00 O ATOM 904 CB SER A 44 -4.956 -4.701 -13.429 1.00 0.00 C ATOM 905 OG SER A 44 -4.479 -5.948 -12.920 1.00 0.00 O ATOM 0 H SER A 44 -7.164 -4.103 -14.023 1.00 0.00 H new ATOM 0 HA SER A 44 -6.080 -4.705 -11.537 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.527 -4.859 -14.344 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.119 -4.051 -13.684 1.00 0.00 H new ATOM 0 HG SER A 44 -3.729 -6.260 -13.468 1.00 0.00 H new ATOM 911 N TYR A 45 -4.684 -3.077 -10.488 1.00 0.00 N ATOM 912 CA TYR A 45 -3.953 -2.040 -9.700 1.00 0.00 C ATOM 913 C TYR A 45 -2.750 -2.694 -9.002 1.00 0.00 C ATOM 914 O TYR A 45 -2.374 -3.803 -9.330 1.00 0.00 O ATOM 915 CB TYR A 45 -4.977 -1.554 -8.669 1.00 0.00 C ATOM 916 CG TYR A 45 -5.206 -0.080 -8.850 1.00 0.00 C ATOM 917 CD1 TYR A 45 -5.905 0.380 -9.966 1.00 0.00 C ATOM 918 CD2 TYR A 45 -4.717 0.826 -7.905 1.00 0.00 C ATOM 919 CE1 TYR A 45 -6.115 1.747 -10.139 1.00 0.00 C ATOM 920 CE2 TYR A 45 -4.927 2.194 -8.080 1.00 0.00 C ATOM 921 CZ TYR A 45 -5.627 2.655 -9.199 1.00 0.00 C ATOM 922 OH TYR A 45 -5.834 4.002 -9.382 1.00 0.00 O ATOM 0 H TYR A 45 -4.826 -3.955 -9.989 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.571 -1.222 -10.311 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.915 -2.096 -8.788 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.618 -1.756 -7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.283 -0.322 -10.695 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.177 0.468 -7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.657 2.104 -11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.549 2.896 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.300 4.370 -8.603 1.00 0.00 H new ATOM 932 N ALA A 46 -2.147 -2.037 -8.043 1.00 0.00 N ATOM 933 CA ALA A 46 -0.976 -2.656 -7.344 1.00 0.00 C ATOM 934 C ALA A 46 -0.597 -1.863 -6.089 1.00 0.00 C ATOM 935 O ALA A 46 -0.488 -0.650 -6.112 1.00 0.00 O ATOM 936 CB ALA A 46 0.140 -2.636 -8.384 1.00 0.00 C ATOM 0 H ALA A 46 -2.410 -1.108 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.187 -3.666 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.043 -3.073 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.165 -3.214 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.341 -1.607 -8.682 1.00 0.00 H new ATOM 942 N ILE A 47 -0.407 -2.558 -4.996 1.00 0.00 N ATOM 943 CA ILE A 47 -0.048 -1.888 -3.708 1.00 0.00 C ATOM 944 C ILE A 47 1.468 -1.925 -3.481 1.00 0.00 C ATOM 945 O ILE A 47 2.070 -2.982 -3.432 1.00 0.00 O ATOM 946 CB ILE A 47 -0.765 -2.714 -2.635 1.00 0.00 C ATOM 947 CG1 ILE A 47 -2.255 -2.352 -2.605 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.148 -2.449 -1.264 1.00 0.00 C ATOM 949 CD1 ILE A 47 -3.013 -3.373 -1.761 1.00 0.00 C ATOM 0 H ILE A 47 -0.486 -3.573 -4.940 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.340 -0.838 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.654 -3.771 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.388 -1.352 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.656 -2.334 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.667 -3.042 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.906 -2.725 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.243 -1.391 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.072 -3.114 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.890 -4.366 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.619 -3.369 -0.745 1.00 0.00 H new ATOM 961 N SER A 48 2.073 -0.777 -3.319 1.00 0.00 N ATOM 962 CA SER A 48 3.547 -0.720 -3.065 1.00 0.00 C ATOM 963 C SER A 48 3.810 -0.751 -1.560 1.00 0.00 C ATOM 964 O SER A 48 3.207 -0.002 -0.813 1.00 0.00 O ATOM 965 CB SER A 48 3.998 0.621 -3.636 1.00 0.00 C ATOM 966 OG SER A 48 5.398 0.577 -3.884 1.00 0.00 O ATOM 0 H SER A 48 1.608 0.130 -3.352 1.00 0.00 H new ATOM 0 HA SER A 48 4.076 -1.560 -3.516 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.460 0.836 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.766 1.424 -2.937 1.00 0.00 H new ATOM 0 HG SER A 48 5.626 -0.270 -4.321 1.00 0.00 H new ATOM 972 N PHE A 49 4.691 -1.604 -1.098 1.00 0.00 N ATOM 973 CA PHE A 49 4.959 -1.648 0.372 1.00 0.00 C ATOM 974 C PHE A 49 6.422 -2.012 0.684 1.00 0.00 C ATOM 975 O PHE A 49 6.832 -3.151 0.551 1.00 0.00 O ATOM 976 CB PHE A 49 4.003 -2.716 0.911 1.00 0.00 C ATOM 977 CG PHE A 49 3.197 -2.147 2.056 1.00 0.00 C ATOM 978 CD1 PHE A 49 3.707 -2.182 3.359 1.00 0.00 C ATOM 979 CD2 PHE A 49 1.938 -1.588 1.814 1.00 0.00 C ATOM 980 CE1 PHE A 49 2.955 -1.658 4.418 1.00 0.00 C ATOM 981 CE2 PHE A 49 1.186 -1.064 2.871 1.00 0.00 C ATOM 982 CZ PHE A 49 1.695 -1.098 4.174 1.00 0.00 C ATOM 0 H PHE A 49 5.228 -2.261 -1.664 1.00 0.00 H new ATOM 0 HA PHE A 49 4.801 -0.673 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.337 -3.055 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.567 -3.586 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.679 -2.613 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.545 -1.561 0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.347 -1.686 5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.214 -0.634 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.116 -0.693 4.991 1.00 0.00 H new ATOM 992 N ARG A 50 7.197 -1.057 1.142 1.00 0.00 N ATOM 993 CA ARG A 50 8.620 -1.354 1.512 1.00 0.00 C ATOM 994 C ARG A 50 8.663 -1.775 2.982 1.00 0.00 C ATOM 995 O ARG A 50 7.953 -1.227 3.801 1.00 0.00 O ATOM 996 CB ARG A 50 9.394 -0.047 1.309 1.00 0.00 C ATOM 997 CG ARG A 50 10.889 -0.349 1.194 1.00 0.00 C ATOM 998 CD ARG A 50 11.671 0.964 1.230 1.00 0.00 C ATOM 999 NE ARG A 50 13.071 0.586 0.880 1.00 0.00 N ATOM 1000 CZ ARG A 50 13.965 0.473 1.812 1.00 0.00 C ATOM 1001 NH1 ARG A 50 14.068 -0.635 2.481 1.00 0.00 N ATOM 1002 NH2 ARG A 50 14.746 1.468 2.075 1.00 0.00 N ATOM 0 H ARG A 50 6.908 -0.088 1.276 1.00 0.00 H new ATOM 0 HA ARG A 50 9.049 -2.155 0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.044 0.458 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.212 0.629 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.205 -0.997 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.094 -0.883 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.267 1.684 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.621 1.427 2.216 1.00 0.00 H new ATOM 0 HE ARG A 50 13.325 0.416 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.446 -1.416 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.771 -0.724 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.658 2.338 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.451 1.383 2.807 1.00 0.00 H new ATOM 1016 N ALA A 51 9.463 -2.748 3.327 1.00 0.00 N ATOM 1017 CA ALA A 51 9.509 -3.195 4.750 1.00 0.00 C ATOM 1018 C ALA A 51 10.939 -3.531 5.195 1.00 0.00 C ATOM 1019 O ALA A 51 11.854 -3.640 4.395 1.00 0.00 O ATOM 1020 CB ALA A 51 8.614 -4.438 4.798 1.00 0.00 C ATOM 0 H ALA A 51 10.083 -3.250 2.691 1.00 0.00 H new ATOM 0 HA ALA A 51 9.169 -2.412 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.592 -4.832 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.603 -4.170 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.009 -5.197 4.123 1.00 0.00 H new ATOM 1026 N GLU A 52 11.126 -3.689 6.478 1.00 0.00 N ATOM 1027 CA GLU A 52 12.479 -4.019 7.028 1.00 0.00 C ATOM 1028 C GLU A 52 12.991 -5.346 6.446 1.00 0.00 C ATOM 1029 O GLU A 52 12.359 -6.376 6.571 1.00 0.00 O ATOM 1030 CB GLU A 52 12.275 -4.148 8.551 1.00 0.00 C ATOM 1031 CG GLU A 52 11.057 -5.046 8.869 1.00 0.00 C ATOM 1032 CD GLU A 52 11.509 -6.446 9.298 1.00 0.00 C ATOM 1033 OE1 GLU A 52 12.434 -6.544 10.091 1.00 0.00 O ATOM 1034 OE2 GLU A 52 10.903 -7.401 8.835 1.00 0.00 O ATOM 0 H GLU A 52 10.391 -3.603 7.180 1.00 0.00 H new ATOM 0 HA GLU A 52 13.216 -3.257 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.171 -4.568 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.128 -3.160 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.462 -4.592 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.415 -5.119 7.991 1.00 0.00 H new ATOM 1041 N GLY A 53 14.136 -5.316 5.801 1.00 0.00 N ATOM 1042 CA GLY A 53 14.713 -6.563 5.197 1.00 0.00 C ATOM 1043 C GLY A 53 13.645 -7.317 4.396 1.00 0.00 C ATOM 1044 O GLY A 53 13.621 -8.532 4.386 1.00 0.00 O ATOM 0 H GLY A 53 14.699 -4.476 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.549 -6.306 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.107 -7.206 5.984 1.00 0.00 H new ATOM 1048 N LYS A 54 12.757 -6.610 3.735 1.00 0.00 N ATOM 1049 CA LYS A 54 11.686 -7.293 2.948 1.00 0.00 C ATOM 1050 C LYS A 54 10.928 -6.286 2.081 1.00 0.00 C ATOM 1051 O LYS A 54 10.551 -5.223 2.533 1.00 0.00 O ATOM 1052 CB LYS A 54 10.742 -7.882 3.998 1.00 0.00 C ATOM 1053 CG LYS A 54 10.782 -9.408 3.939 1.00 0.00 C ATOM 1054 CD LYS A 54 9.954 -9.970 5.096 1.00 0.00 C ATOM 1055 CE LYS A 54 10.628 -9.619 6.431 1.00 0.00 C ATOM 1056 NZ LYS A 54 9.660 -8.726 7.142 1.00 0.00 N ATOM 0 H LYS A 54 12.730 -5.591 3.708 1.00 0.00 H new ATOM 0 HA LYS A 54 12.096 -8.049 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.032 -7.541 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.725 -7.530 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.385 -9.759 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.811 -9.761 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.945 -9.559 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.860 -11.052 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.836 -10.516 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.581 -9.116 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.077 -8.407 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.447 -7.901 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.782 -9.249 7.335 1.00 0.00 H new ATOM 1070 N ILE A 55 10.687 -6.615 0.845 1.00 0.00 N ATOM 1071 CA ILE A 55 9.933 -5.683 -0.044 1.00 0.00 C ATOM 1072 C ILE A 55 8.990 -6.494 -0.945 1.00 0.00 C ATOM 1073 O ILE A 55 9.377 -7.509 -1.492 1.00 0.00 O ATOM 1074 CB ILE A 55 11.006 -4.947 -0.844 1.00 0.00 C ATOM 1075 CG1 ILE A 55 11.411 -3.695 -0.065 1.00 0.00 C ATOM 1076 CG2 ILE A 55 10.463 -4.534 -2.215 1.00 0.00 C ATOM 1077 CD1 ILE A 55 12.786 -3.242 -0.528 1.00 0.00 C ATOM 0 H ILE A 55 10.979 -7.490 0.409 1.00 0.00 H new ATOM 0 HA ILE A 55 9.307 -4.975 0.499 1.00 0.00 H new ATOM 0 HB ILE A 55 11.863 -5.603 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.681 -2.901 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.425 -3.906 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.240 -4.011 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.156 -5.422 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.605 -3.875 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.080 -2.349 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.511 -4.036 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.755 -3.015 -1.594 1.00 0.00 H new ATOM 1089 N LYS A 56 7.749 -6.078 -1.082 1.00 0.00 N ATOM 1090 CA LYS A 56 6.790 -6.873 -1.930 1.00 0.00 C ATOM 1091 C LYS A 56 5.499 -6.093 -2.236 1.00 0.00 C ATOM 1092 O LYS A 56 5.113 -5.194 -1.513 1.00 0.00 O ATOM 1093 CB LYS A 56 6.455 -8.137 -1.102 1.00 0.00 C ATOM 1094 CG LYS A 56 6.577 -7.867 0.414 1.00 0.00 C ATOM 1095 CD LYS A 56 5.223 -8.078 1.099 1.00 0.00 C ATOM 1096 CE LYS A 56 4.564 -6.723 1.390 1.00 0.00 C ATOM 1097 NZ LYS A 56 5.485 -6.010 2.334 1.00 0.00 N ATOM 0 H LYS A 56 7.362 -5.238 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 56 7.240 -7.107 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.443 -8.468 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.127 -8.947 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.321 -8.533 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.923 -6.847 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.573 -8.678 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.359 -8.632 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.426 -6.151 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.577 -6.856 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.925 -5.511 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.110 -6.700 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.060 -5.323 1.806 1.00 0.00 H new ATOM 1111 N HIS A 57 4.826 -6.462 -3.303 1.00 0.00 N ATOM 1112 CA HIS A 57 3.539 -5.789 -3.688 1.00 0.00 C ATOM 1113 C HIS A 57 2.579 -6.785 -4.354 1.00 0.00 C ATOM 1114 O HIS A 57 2.910 -7.935 -4.584 1.00 0.00 O ATOM 1115 CB HIS A 57 3.917 -4.672 -4.666 1.00 0.00 C ATOM 1116 CG HIS A 57 4.693 -5.211 -5.847 1.00 0.00 C ATOM 1117 ND1 HIS A 57 5.616 -4.435 -6.525 1.00 0.00 N ATOM 1118 CD2 HIS A 57 4.697 -6.430 -6.482 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.136 -5.185 -7.514 1.00 0.00 C ATOM 1120 NE2 HIS A 57 5.608 -6.410 -7.533 1.00 0.00 N ATOM 0 H HIS A 57 5.117 -7.210 -3.932 1.00 0.00 H new ATOM 0 HA HIS A 57 3.025 -5.394 -2.811 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.014 -4.174 -5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.514 -3.920 -4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.085 -7.276 -6.206 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.888 -4.838 -8.207 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.826 -7.169 -8.179 1.00 0.00 H new ATOM 1128 N CYS A 58 1.390 -6.339 -4.660 1.00 0.00 N ATOM 1129 CA CYS A 58 0.379 -7.229 -5.310 1.00 0.00 C ATOM 1130 C CYS A 58 -0.505 -6.405 -6.255 1.00 0.00 C ATOM 1131 O CYS A 58 -0.202 -5.272 -6.557 1.00 0.00 O ATOM 1132 CB CYS A 58 -0.463 -7.811 -4.173 1.00 0.00 C ATOM 1133 SG CYS A 58 0.599 -8.366 -2.812 1.00 0.00 S ATOM 0 H CYS A 58 1.071 -5.386 -4.486 1.00 0.00 H new ATOM 0 HA CYS A 58 0.851 -8.016 -5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.164 -7.059 -3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.056 -8.647 -4.543 1.00 0.00 H new ATOM 0 HG CYS A 58 1.772 -8.679 -3.277 1.00 0.00 H new ATOM 1139 N ARG A 59 -1.594 -6.963 -6.720 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.500 -6.212 -7.642 1.00 0.00 C ATOM 1141 C ARG A 59 -3.951 -6.244 -7.128 1.00 0.00 C ATOM 1142 O ARG A 59 -4.371 -7.158 -6.445 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.361 -6.938 -8.989 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.667 -6.872 -9.796 1.00 0.00 C ATOM 1145 CD ARG A 59 -4.501 -8.133 -9.537 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.937 -8.585 -10.895 1.00 0.00 N ATOM 1147 CZ ARG A 59 -6.121 -8.298 -11.330 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -7.132 -9.034 -11.001 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -6.292 -7.277 -12.103 1.00 0.00 N ATOM 0 H ARG A 59 -1.896 -7.912 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.239 -5.157 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.552 -6.489 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.090 -7.980 -8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.235 -5.985 -9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.444 -6.784 -10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.913 -8.901 -9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.357 -7.917 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.298 -9.122 -11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.998 -9.844 -10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.064 -8.804 -11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.494 -6.699 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.225 -7.049 -12.447 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.715 -5.247 -7.469 1.00 0.00 N ATOM 1164 CA VAL A 60 -6.139 -5.195 -7.032 1.00 0.00 C ATOM 1165 C VAL A 60 -7.006 -4.800 -8.227 1.00 0.00 C ATOM 1166 O VAL A 60 -6.543 -4.142 -9.138 1.00 0.00 O ATOM 1167 CB VAL A 60 -6.187 -4.110 -5.946 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -7.567 -4.097 -5.284 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -5.123 -4.389 -4.881 1.00 0.00 C ATOM 0 H VAL A 60 -4.412 -4.457 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.505 -6.150 -6.654 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.994 -3.142 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.594 -3.325 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.329 -3.888 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.762 -5.069 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.164 -3.615 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.311 -5.361 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.136 -4.390 -5.344 1.00 0.00 H new ATOM 1179 N GLN A 61 -8.254 -5.170 -8.233 1.00 0.00 N ATOM 1180 CA GLN A 61 -9.130 -4.775 -9.373 1.00 0.00 C ATOM 1181 C GLN A 61 -10.027 -3.625 -8.917 1.00 0.00 C ATOM 1182 O GLN A 61 -10.899 -3.803 -8.087 1.00 0.00 O ATOM 1183 CB GLN A 61 -9.953 -6.023 -9.706 1.00 0.00 C ATOM 1184 CG GLN A 61 -10.358 -5.982 -11.184 1.00 0.00 C ATOM 1185 CD GLN A 61 -10.181 -7.368 -11.808 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -9.068 -7.832 -11.989 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -11.233 -8.055 -12.147 1.00 0.00 N ATOM 0 H GLN A 61 -8.705 -5.724 -7.505 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.575 -4.437 -10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.371 -6.922 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.841 -6.067 -9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.395 -5.661 -11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.749 -5.252 -11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.165 -7.669 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.126 -8.980 -12.563 1.00 0.00 H new ATOM 1196 N GLN A 62 -9.808 -2.444 -9.428 1.00 0.00 N ATOM 1197 CA GLN A 62 -10.641 -1.285 -8.986 1.00 0.00 C ATOM 1198 C GLN A 62 -11.998 -1.258 -9.703 1.00 0.00 C ATOM 1199 O GLN A 62 -12.109 -1.585 -10.870 1.00 0.00 O ATOM 1200 CB GLN A 62 -9.817 -0.032 -9.328 1.00 0.00 C ATOM 1201 CG GLN A 62 -10.115 0.409 -10.771 1.00 0.00 C ATOM 1202 CD GLN A 62 -9.117 1.475 -11.214 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -8.224 1.194 -11.982 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -9.231 2.692 -10.773 1.00 0.00 N ATOM 0 H GLN A 62 -9.096 -2.231 -10.126 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.867 -1.346 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.058 0.774 -8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.754 -0.243 -9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.061 -0.450 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.130 0.801 -10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.982 2.932 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.569 3.408 -11.074 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.020 -0.843 -9.006 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.373 -0.749 -9.624 1.00 0.00 C ATOM 1215 C GLU A 63 -15.027 0.555 -9.163 1.00 0.00 C ATOM 1216 O GLU A 63 -14.959 0.901 -7.994 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.141 -1.959 -9.094 1.00 0.00 C ATOM 1218 CG GLU A 63 -16.518 -2.033 -9.761 1.00 0.00 C ATOM 1219 CD GLU A 63 -16.361 -1.951 -11.281 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -15.948 -2.938 -11.869 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -16.644 -0.897 -11.827 1.00 0.00 O ATOM 0 H GLU A 63 -12.975 -0.563 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.350 -0.746 -10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.581 -2.873 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.254 -1.884 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.016 -2.963 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.149 -1.218 -9.407 1.00 0.00 H new ATOM 1228 N GLY A 64 -15.650 1.294 -10.051 1.00 0.00 N ATOM 1229 CA GLY A 64 -16.285 2.574 -9.614 1.00 0.00 C ATOM 1230 C GLY A 64 -17.486 2.247 -8.731 1.00 0.00 C ATOM 1231 O GLY A 64 -18.602 2.188 -9.200 1.00 0.00 O ATOM 0 H GLY A 64 -15.745 1.070 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.567 3.184 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.600 3.155 -10.481 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.225 2.038 -7.456 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.273 1.691 -6.438 1.00 0.00 C ATOM 1237 C GLN A 65 -17.644 0.733 -5.419 1.00 0.00 C ATOM 1238 O GLN A 65 -17.887 0.830 -4.231 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.430 0.989 -7.172 1.00 0.00 C ATOM 1240 CG GLN A 65 -20.421 0.410 -6.150 1.00 0.00 C ATOM 1241 CD GLN A 65 -20.764 -1.032 -6.523 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -21.578 -1.272 -7.387 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -20.181 -2.009 -5.897 1.00 0.00 N ATOM 0 H GLN A 65 -16.284 2.097 -7.066 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.645 2.578 -5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -19.940 1.696 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.040 0.192 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -19.988 0.444 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.328 1.015 -6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.495 -1.811 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.409 -2.975 -6.134 1.00 0.00 H new ATOM 1252 N THR A 66 -16.835 -0.203 -5.880 1.00 0.00 N ATOM 1253 CA THR A 66 -16.200 -1.171 -4.932 1.00 0.00 C ATOM 1254 C THR A 66 -14.922 -1.809 -5.517 1.00 0.00 C ATOM 1255 O THR A 66 -14.992 -2.725 -6.310 1.00 0.00 O ATOM 1256 CB THR A 66 -17.267 -2.258 -4.722 1.00 0.00 C ATOM 1257 OG1 THR A 66 -18.444 -1.697 -4.143 1.00 0.00 O ATOM 1258 CG2 THR A 66 -16.729 -3.351 -3.801 1.00 0.00 C ATOM 0 H THR A 66 -16.593 -0.333 -6.862 1.00 0.00 H new ATOM 0 HA THR A 66 -15.895 -0.674 -4.011 1.00 0.00 H new ATOM 0 HB THR A 66 -17.513 -2.686 -5.694 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.247 -0.798 -3.807 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.493 -4.116 -3.659 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.843 -3.801 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.466 -2.917 -2.836 1.00 0.00 H new ATOM 1266 N VAL A 67 -13.760 -1.364 -5.105 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.491 -1.981 -5.624 1.00 0.00 C ATOM 1268 C VAL A 67 -12.345 -3.399 -5.052 1.00 0.00 C ATOM 1269 O VAL A 67 -12.801 -3.690 -3.962 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.365 -1.068 -5.119 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -9.999 -1.691 -5.421 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -11.463 0.299 -5.806 1.00 0.00 C ATOM 0 H VAL A 67 -13.632 -0.605 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.475 -2.066 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.470 -0.946 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.210 -1.032 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.922 -2.658 -4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.891 -1.827 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.663 0.945 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.369 0.172 -6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.427 0.753 -5.577 1.00 0.00 H new ATOM 1282 N MET A 68 -11.753 -4.299 -5.790 1.00 0.00 N ATOM 1283 CA MET A 68 -11.639 -5.697 -5.283 1.00 0.00 C ATOM 1284 C MET A 68 -10.221 -6.271 -5.433 1.00 0.00 C ATOM 1285 O MET A 68 -9.688 -6.390 -6.523 1.00 0.00 O ATOM 1286 CB MET A 68 -12.617 -6.504 -6.147 1.00 0.00 C ATOM 1287 CG MET A 68 -13.988 -5.813 -6.197 1.00 0.00 C ATOM 1288 SD MET A 68 -15.154 -6.862 -7.102 1.00 0.00 S ATOM 1289 CE MET A 68 -16.191 -5.537 -7.773 1.00 0.00 C ATOM 0 H MET A 68 -11.348 -4.130 -6.711 1.00 0.00 H new ATOM 0 HA MET A 68 -11.861 -5.737 -4.217 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.219 -6.608 -7.156 1.00 0.00 H new ATOM 0 HB3 MET A 68 -12.725 -7.510 -5.741 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.353 -5.631 -5.186 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.901 -4.842 -6.684 1.00 0.00 H new ATOM 0 HE1 MET A 68 -16.989 -5.970 -8.376 1.00 0.00 H new ATOM 0 HE2 MET A 68 -16.625 -4.964 -6.953 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.584 -4.879 -8.394 1.00 0.00 H new ATOM 1299 N LEU A 69 -9.639 -6.683 -4.342 1.00 0.00 N ATOM 1300 CA LEU A 69 -8.289 -7.322 -4.394 1.00 0.00 C ATOM 1301 C LEU A 69 -8.489 -8.813 -4.736 1.00 0.00 C ATOM 1302 O LEU A 69 -9.602 -9.242 -4.989 1.00 0.00 O ATOM 1303 CB LEU A 69 -7.738 -7.155 -2.979 1.00 0.00 C ATOM 1304 CG LEU A 69 -6.247 -7.502 -2.959 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -5.452 -6.298 -2.473 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -6.017 -8.690 -2.020 1.00 0.00 C ATOM 0 H LEU A 69 -10.042 -6.605 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.615 -6.892 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.887 -6.130 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.280 -7.801 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.917 -7.766 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.390 -6.545 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.620 -5.456 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.776 -6.030 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.956 -8.940 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.344 -8.427 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.587 -9.549 -2.374 1.00 0.00 H new ATOM 1318 N GLY A 70 -7.458 -9.624 -4.738 1.00 0.00 N ATOM 1319 CA GLY A 70 -7.686 -11.063 -5.061 1.00 0.00 C ATOM 1320 C GLY A 70 -8.044 -11.790 -3.769 1.00 0.00 C ATOM 1321 O GLY A 70 -7.204 -12.385 -3.122 1.00 0.00 O ATOM 0 H GLY A 70 -6.494 -9.359 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.489 -11.166 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.792 -11.499 -5.507 1.00 0.00 H new ATOM 1325 N ASN A 71 -9.309 -11.731 -3.414 1.00 0.00 N ATOM 1326 CA ASN A 71 -9.827 -12.389 -2.167 1.00 0.00 C ATOM 1327 C ASN A 71 -11.249 -11.883 -1.859 1.00 0.00 C ATOM 1328 O ASN A 71 -12.132 -12.658 -1.557 1.00 0.00 O ATOM 1329 CB ASN A 71 -8.866 -12.010 -1.017 1.00 0.00 C ATOM 1330 CG ASN A 71 -8.798 -10.489 -0.828 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -9.011 -9.732 -1.749 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -8.508 -10.008 0.341 1.00 0.00 N ATOM 0 H ASN A 71 -10.023 -11.240 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.873 -13.471 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.200 -12.479 -0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.870 -12.397 -1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.461 -8.999 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.327 -10.639 1.122 1.00 0.00 H new ATOM 1339 N SER A 72 -11.477 -10.586 -1.928 1.00 0.00 N ATOM 1340 CA SER A 72 -12.848 -10.045 -1.630 1.00 0.00 C ATOM 1341 C SER A 72 -13.004 -8.582 -2.095 1.00 0.00 C ATOM 1342 O SER A 72 -12.088 -7.978 -2.627 1.00 0.00 O ATOM 1343 CB SER A 72 -13.012 -10.146 -0.106 1.00 0.00 C ATOM 1344 OG SER A 72 -11.758 -9.929 0.538 1.00 0.00 O ATOM 0 H SER A 72 -10.779 -9.885 -2.176 1.00 0.00 H new ATOM 0 HA SER A 72 -13.611 -10.611 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.739 -9.410 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.402 -11.128 0.161 1.00 0.00 H new ATOM 0 HG SER A 72 -11.513 -8.983 0.467 1.00 0.00 H new ATOM 1350 N GLU A 73 -14.178 -8.021 -1.911 1.00 0.00 N ATOM 1351 CA GLU A 73 -14.444 -6.609 -2.346 1.00 0.00 C ATOM 1352 C GLU A 73 -14.042 -5.602 -1.253 1.00 0.00 C ATOM 1353 O GLU A 73 -14.278 -5.816 -0.079 1.00 0.00 O ATOM 1354 CB GLU A 73 -15.960 -6.557 -2.582 1.00 0.00 C ATOM 1355 CG GLU A 73 -16.350 -7.525 -3.713 1.00 0.00 C ATOM 1356 CD GLU A 73 -16.914 -8.838 -3.137 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -16.631 -9.145 -1.986 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -17.614 -9.521 -3.865 1.00 0.00 O ATOM 0 H GLU A 73 -14.973 -8.487 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.868 -6.344 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.488 -6.823 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.262 -5.542 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.093 -7.057 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.479 -7.739 -4.332 1.00 0.00 H new ATOM 1365 N PHE A 74 -13.443 -4.499 -1.638 1.00 0.00 N ATOM 1366 CA PHE A 74 -13.021 -3.465 -0.635 1.00 0.00 C ATOM 1367 C PHE A 74 -13.507 -2.076 -1.062 1.00 0.00 C ATOM 1368 O PHE A 74 -13.548 -1.766 -2.238 1.00 0.00 O ATOM 1369 CB PHE A 74 -11.492 -3.495 -0.667 1.00 0.00 C ATOM 1370 CG PHE A 74 -10.999 -4.759 -0.017 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -10.966 -5.948 -0.746 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -10.588 -4.741 1.315 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -10.519 -7.128 -0.141 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -10.142 -5.919 1.925 1.00 0.00 C ATOM 1375 CZ PHE A 74 -10.107 -7.113 1.196 1.00 0.00 C ATOM 0 H PHE A 74 -13.227 -4.269 -2.608 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.431 -3.667 0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.139 -3.442 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.090 -2.626 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.286 -5.958 -1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.614 -3.818 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.492 -8.049 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.825 -5.907 2.957 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.762 -8.023 1.665 1.00 0.00 H new ATOM 1385 N ASP A 75 -13.822 -1.209 -0.138 1.00 0.00 N ATOM 1386 CA ASP A 75 -14.228 0.154 -0.574 1.00 0.00 C ATOM 1387 C ASP A 75 -12.931 0.928 -0.819 1.00 0.00 C ATOM 1388 O ASP A 75 -12.265 1.356 0.105 1.00 0.00 O ATOM 1389 CB ASP A 75 -15.027 0.751 0.595 1.00 0.00 C ATOM 1390 CG ASP A 75 -16.438 0.163 0.624 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -16.613 -0.869 1.250 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -17.320 0.760 0.032 1.00 0.00 O ATOM 0 H ASP A 75 -13.817 -1.378 0.868 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.836 0.176 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.519 0.543 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.079 1.835 0.494 1.00 0.00 H new ATOM 1397 N SER A 76 -12.564 1.065 -2.070 1.00 0.00 N ATOM 1398 CA SER A 76 -11.284 1.755 -2.449 1.00 0.00 C ATOM 1399 C SER A 76 -10.101 0.964 -1.871 1.00 0.00 C ATOM 1400 O SER A 76 -10.228 0.283 -0.870 1.00 0.00 O ATOM 1401 CB SER A 76 -11.363 3.162 -1.842 1.00 0.00 C ATOM 1402 OG SER A 76 -10.046 3.666 -1.639 1.00 0.00 O ATOM 0 H SER A 76 -13.107 0.722 -2.862 1.00 0.00 H new ATOM 0 HA SER A 76 -11.144 1.815 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.919 3.825 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.902 3.132 -0.895 1.00 0.00 H new ATOM 0 HG SER A 76 -10.096 4.565 -1.253 1.00 0.00 H new ATOM 1408 N LEU A 77 -8.947 1.032 -2.476 1.00 0.00 N ATOM 1409 CA LEU A 77 -7.787 0.270 -1.919 1.00 0.00 C ATOM 1410 C LEU A 77 -7.526 0.691 -0.460 1.00 0.00 C ATOM 1411 O LEU A 77 -6.937 -0.048 0.313 1.00 0.00 O ATOM 1412 CB LEU A 77 -6.610 0.614 -2.827 1.00 0.00 C ATOM 1413 CG LEU A 77 -6.538 -0.426 -3.952 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -6.268 0.267 -5.290 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -5.413 -1.421 -3.662 1.00 0.00 C ATOM 0 H LEU A 77 -8.755 1.573 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.963 -0.805 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.733 1.614 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.681 0.619 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.490 -0.955 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.219 -0.479 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.072 0.971 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.321 0.804 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.364 -2.159 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.464 -0.889 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.608 -1.925 -2.716 1.00 0.00 H new ATOM 1427 N VAL A 78 -8.000 1.857 -0.068 1.00 0.00 N ATOM 1428 CA VAL A 78 -7.827 2.318 1.338 1.00 0.00 C ATOM 1429 C VAL A 78 -8.385 1.279 2.303 1.00 0.00 C ATOM 1430 O VAL A 78 -7.982 1.202 3.427 1.00 0.00 O ATOM 1431 CB VAL A 78 -8.667 3.592 1.445 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -10.156 3.238 1.314 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -8.427 4.239 2.809 1.00 0.00 C ATOM 0 H VAL A 78 -8.502 2.507 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.777 2.479 1.583 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.383 4.282 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.754 4.146 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.334 2.766 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.438 2.550 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.023 5.148 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.715 3.544 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.371 4.488 2.913 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.330 0.502 1.870 1.00 0.00 N ATOM 1444 CA ASP A 79 -9.938 -0.513 2.763 1.00 0.00 C ATOM 1445 C ASP A 79 -8.846 -1.421 3.378 1.00 0.00 C ATOM 1446 O ASP A 79 -8.461 -1.266 4.532 1.00 0.00 O ATOM 1447 CB ASP A 79 -10.894 -1.285 1.850 1.00 0.00 C ATOM 1448 CG ASP A 79 -11.964 -1.993 2.686 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -11.634 -2.496 3.744 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -13.102 -2.023 2.250 1.00 0.00 O ATOM 0 H ASP A 79 -9.712 0.527 0.924 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.461 -0.081 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.366 -0.602 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.338 -2.016 1.263 1.00 0.00 H new ATOM 1455 N LEU A 80 -8.330 -2.353 2.618 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.263 -3.253 3.171 1.00 0.00 C ATOM 1457 C LEU A 80 -5.959 -2.470 3.425 1.00 0.00 C ATOM 1458 O LEU A 80 -5.251 -2.720 4.398 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.048 -4.431 2.187 1.00 0.00 C ATOM 1460 CG LEU A 80 -7.251 -4.040 0.711 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -6.092 -3.174 0.219 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -7.311 -5.315 -0.132 1.00 0.00 C ATOM 0 H LEU A 80 -8.595 -2.532 1.649 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.578 -3.652 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.039 -4.823 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.737 -5.236 2.440 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.177 -3.473 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.254 -2.908 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.036 -2.266 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.158 -3.729 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.455 -5.052 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.379 -5.869 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.143 -5.934 0.204 1.00 0.00 H new ATOM 1474 N ILE A 81 -5.643 -1.490 2.609 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.403 -0.700 2.886 1.00 0.00 C ATOM 1476 C ILE A 81 -4.573 -0.018 4.255 1.00 0.00 C ATOM 1477 O ILE A 81 -3.667 -0.006 5.082 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.279 0.314 1.740 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -4.057 -0.424 0.415 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.080 1.220 1.990 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -2.777 -1.262 0.501 1.00 0.00 C ATOM 0 H ILE A 81 -6.175 -1.210 1.785 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.498 -1.307 2.930 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.195 0.903 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.910 -1.066 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.981 0.292 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.992 1.940 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.216 1.752 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.173 0.618 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.621 -1.786 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.927 -0.609 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.871 -1.988 1.308 1.00 0.00 H new ATOM 1493 N SER A 82 -5.760 0.486 4.529 1.00 0.00 N ATOM 1494 CA SER A 82 -6.022 1.094 5.866 1.00 0.00 C ATOM 1495 C SER A 82 -5.854 -0.008 6.908 1.00 0.00 C ATOM 1496 O SER A 82 -5.317 0.219 7.977 1.00 0.00 O ATOM 1497 CB SER A 82 -7.458 1.615 5.850 1.00 0.00 C ATOM 1498 OG SER A 82 -7.752 2.216 7.105 1.00 0.00 O ATOM 0 H SER A 82 -6.550 0.499 3.884 1.00 0.00 H new ATOM 0 HA SER A 82 -5.342 1.914 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.585 2.341 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.152 0.798 5.653 1.00 0.00 H new ATOM 0 HG SER A 82 -7.951 1.518 7.763 1.00 0.00 H new ATOM 1504 N TYR A 83 -6.268 -1.222 6.577 1.00 0.00 N ATOM 1505 CA TYR A 83 -6.073 -2.364 7.527 1.00 0.00 C ATOM 1506 C TYR A 83 -4.609 -2.349 7.961 1.00 0.00 C ATOM 1507 O TYR A 83 -4.294 -2.484 9.125 1.00 0.00 O ATOM 1508 CB TYR A 83 -6.366 -3.632 6.714 1.00 0.00 C ATOM 1509 CG TYR A 83 -7.015 -4.681 7.589 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -6.322 -5.218 8.683 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -8.308 -5.130 7.292 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -6.925 -6.201 9.479 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -8.906 -6.116 8.087 1.00 0.00 C ATOM 1514 CZ TYR A 83 -8.215 -6.650 9.179 1.00 0.00 C ATOM 1515 OH TYR A 83 -8.804 -7.626 9.956 1.00 0.00 O ATOM 0 H TYR A 83 -6.727 -1.461 5.698 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.712 -2.310 8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.021 -3.392 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.440 -4.023 6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.324 -4.874 8.912 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.844 -4.716 6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.393 -6.612 10.324 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.902 -6.464 7.856 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.700 -7.822 9.612 1.00 0.00 H new ATOM 1525 N TYR A 84 -3.715 -2.136 7.019 1.00 0.00 N ATOM 1526 CA TYR A 84 -2.258 -2.059 7.374 1.00 0.00 C ATOM 1527 C TYR A 84 -2.019 -0.836 8.273 1.00 0.00 C ATOM 1528 O TYR A 84 -1.332 -0.925 9.273 1.00 0.00 O ATOM 1529 CB TYR A 84 -1.500 -1.921 6.047 1.00 0.00 C ATOM 1530 CG TYR A 84 -1.923 -3.022 5.102 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -2.296 -4.276 5.605 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -1.962 -2.781 3.727 1.00 0.00 C ATOM 1533 CE1 TYR A 84 -2.707 -5.283 4.731 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -2.370 -3.793 2.854 1.00 0.00 C ATOM 1535 CZ TYR A 84 -2.744 -5.041 3.358 1.00 0.00 C ATOM 1536 OH TYR A 84 -3.152 -6.032 2.502 1.00 0.00 O ATOM 0 H TYR A 84 -3.929 -2.013 6.029 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.919 -2.940 7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.703 -0.948 5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.426 -1.973 6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.265 -4.463 6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.677 -1.814 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.996 -6.249 5.117 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.396 -3.610 1.790 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.121 -5.701 1.580 1.00 0.00 H new ATOM 1546 N GLU A 85 -2.609 0.298 7.948 1.00 0.00 N ATOM 1547 CA GLU A 85 -2.434 1.511 8.830 1.00 0.00 C ATOM 1548 C GLU A 85 -2.974 1.211 10.233 1.00 0.00 C ATOM 1549 O GLU A 85 -2.479 1.717 11.229 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.251 2.632 8.176 1.00 0.00 C ATOM 1551 CG GLU A 85 -3.392 3.820 9.143 1.00 0.00 C ATOM 1552 CD GLU A 85 -2.412 4.933 8.767 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -2.457 5.388 7.636 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -1.645 5.326 9.637 1.00 0.00 O ATOM 0 H GLU A 85 -3.195 0.437 7.125 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.386 1.792 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.764 2.958 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.237 2.259 7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.413 4.201 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.203 3.490 10.165 1.00 0.00 H new ATOM 1561 N LYS A 86 -3.991 0.401 10.311 1.00 0.00 N ATOM 1562 CA LYS A 86 -4.589 0.048 11.628 1.00 0.00 C ATOM 1563 C LYS A 86 -3.864 -1.168 12.248 1.00 0.00 C ATOM 1564 O LYS A 86 -3.925 -1.389 13.443 1.00 0.00 O ATOM 1565 CB LYS A 86 -6.046 -0.269 11.291 1.00 0.00 C ATOM 1566 CG LYS A 86 -6.966 0.705 12.027 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.575 1.688 11.020 1.00 0.00 C ATOM 1568 CE LYS A 86 -7.219 3.121 11.418 1.00 0.00 C ATOM 1569 NZ LYS A 86 -6.100 3.507 10.509 1.00 0.00 N ATOM 0 H LYS A 86 -4.440 -0.038 9.507 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.502 0.844 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.206 -0.194 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.281 -1.294 11.577 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.756 0.158 12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.406 1.247 12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.202 1.475 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.658 1.567 10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.073 3.788 11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.916 3.177 12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.666 4.389 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.385 2.752 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.468 3.649 9.547 1.00 0.00 H new ATOM 1583 N HIS A 87 -3.169 -1.944 11.448 1.00 0.00 N ATOM 1584 CA HIS A 87 -2.421 -3.132 11.979 1.00 0.00 C ATOM 1585 C HIS A 87 -1.142 -3.341 11.147 1.00 0.00 C ATOM 1586 O HIS A 87 -1.096 -4.183 10.268 1.00 0.00 O ATOM 1587 CB HIS A 87 -3.378 -4.323 11.835 1.00 0.00 C ATOM 1588 CG HIS A 87 -3.921 -4.702 13.189 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -4.258 -3.756 14.144 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -4.190 -5.921 13.759 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -4.709 -4.415 15.228 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -4.688 -5.737 15.046 1.00 0.00 N ATOM 0 H HIS A 87 -3.087 -1.804 10.441 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.115 -3.006 13.017 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.197 -4.066 11.163 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.856 -5.171 11.391 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -4.179 -2.744 14.044 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.038 -6.878 13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.046 -3.933 16.134 1.00 0.00 H new ATOM 1600 N PRO A 88 -0.150 -2.537 11.448 1.00 0.00 N ATOM 1601 CA PRO A 88 1.143 -2.598 10.711 1.00 0.00 C ATOM 1602 C PRO A 88 1.975 -3.825 11.129 1.00 0.00 C ATOM 1603 O PRO A 88 1.919 -4.849 10.487 1.00 0.00 O ATOM 1604 CB PRO A 88 1.823 -1.293 11.116 1.00 0.00 C ATOM 1605 CG PRO A 88 1.236 -0.925 12.444 1.00 0.00 C ATOM 1606 CD PRO A 88 -0.150 -1.502 12.493 1.00 0.00 C ATOM 0 HA PRO A 88 1.020 -2.702 9.633 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.903 -1.420 11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.642 -0.512 10.378 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.846 -1.320 13.257 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.206 0.158 12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.370 -1.926 13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.905 -0.740 12.298 1.00 0.00 H new ATOM 1614 N LEU A 89 2.753 -3.683 12.188 1.00 0.00 N ATOM 1615 CA LEU A 89 3.646 -4.781 12.734 1.00 0.00 C ATOM 1616 C LEU A 89 5.043 -4.692 12.112 1.00 0.00 C ATOM 1617 O LEU A 89 5.513 -5.605 11.458 1.00 0.00 O ATOM 1618 CB LEU A 89 3.002 -6.160 12.445 1.00 0.00 C ATOM 1619 CG LEU A 89 1.691 -6.377 13.241 1.00 0.00 C ATOM 1620 CD1 LEU A 89 1.396 -5.202 14.181 1.00 0.00 C ATOM 1621 CD2 LEU A 89 0.525 -6.539 12.265 1.00 0.00 C ATOM 0 H LEU A 89 2.809 -2.814 12.720 1.00 0.00 H new ATOM 0 HA LEU A 89 3.751 -4.658 13.812 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.795 -6.245 11.378 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.711 -6.949 12.696 1.00 0.00 H new ATOM 0 HG LEU A 89 1.813 -7.275 13.846 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.469 -5.392 14.721 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.214 -5.091 14.893 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.295 -4.286 13.598 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.398 -6.692 12.824 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.435 -5.641 11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.706 -7.400 11.621 1.00 0.00 H new ATOM 1633 N TYR A 90 5.713 -3.593 12.342 1.00 0.00 N ATOM 1634 CA TYR A 90 7.096 -3.402 11.807 1.00 0.00 C ATOM 1635 C TYR A 90 7.914 -2.579 12.813 1.00 0.00 C ATOM 1636 O TYR A 90 7.519 -2.403 13.952 1.00 0.00 O ATOM 1637 CB TYR A 90 6.924 -2.612 10.501 1.00 0.00 C ATOM 1638 CG TYR A 90 6.108 -3.402 9.504 1.00 0.00 C ATOM 1639 CD1 TYR A 90 6.715 -4.393 8.720 1.00 0.00 C ATOM 1640 CD2 TYR A 90 4.742 -3.136 9.361 1.00 0.00 C ATOM 1641 CE1 TYR A 90 5.952 -5.116 7.795 1.00 0.00 C ATOM 1642 CE2 TYR A 90 3.982 -3.859 8.438 1.00 0.00 C ATOM 1643 CZ TYR A 90 4.585 -4.846 7.656 1.00 0.00 C ATOM 1644 OH TYR A 90 3.825 -5.560 6.755 1.00 0.00 O ATOM 0 H TYR A 90 5.356 -2.808 12.886 1.00 0.00 H new ATOM 0 HA TYR A 90 7.613 -4.347 11.640 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.434 -1.660 10.707 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.902 -2.382 10.078 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.770 -4.599 8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.275 -2.372 9.964 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.417 -5.880 7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.927 -3.654 8.329 1.00 0.00 H new ATOM 0 HH TYR A 90 2.897 -5.245 6.788 1.00 0.00 H new ATOM 1654 N ARG A 91 9.040 -2.061 12.399 1.00 0.00 N ATOM 1655 CA ARG A 91 9.870 -1.230 13.327 1.00 0.00 C ATOM 1656 C ARG A 91 9.707 0.261 12.987 1.00 0.00 C ATOM 1657 O ARG A 91 9.696 1.104 13.860 1.00 0.00 O ATOM 1658 CB ARG A 91 11.314 -1.683 13.098 1.00 0.00 C ATOM 1659 CG ARG A 91 11.469 -3.144 13.528 1.00 0.00 C ATOM 1660 CD ARG A 91 12.861 -3.351 14.138 1.00 0.00 C ATOM 1661 NE ARG A 91 13.119 -4.824 14.045 1.00 0.00 N ATOM 1662 CZ ARG A 91 12.931 -5.454 12.924 1.00 0.00 C ATOM 1663 NH1 ARG A 91 13.811 -5.385 11.980 1.00 0.00 N ATOM 1664 NH2 ARG A 91 11.858 -6.151 12.745 1.00 0.00 N ATOM 0 H ARG A 91 9.422 -2.176 11.460 1.00 0.00 H new ATOM 0 HA ARG A 91 9.573 -1.354 14.368 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.578 -1.573 12.046 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.998 -1.052 13.666 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.699 -3.404 14.254 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.334 -3.803 12.670 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.617 -2.784 13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.891 -3.011 15.173 1.00 0.00 H new ATOM 0 HE ARG A 91 13.444 -5.335 14.866 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.659 -4.834 12.113 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.658 -5.882 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.157 -6.207 13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.712 -6.645 11.865 1.00 0.00 H new ATOM 1678 N LYS A 92 9.581 0.590 11.726 1.00 0.00 N ATOM 1679 CA LYS A 92 9.421 2.026 11.336 1.00 0.00 C ATOM 1680 C LYS A 92 8.389 2.179 10.208 1.00 0.00 C ATOM 1681 O LYS A 92 8.589 2.950 9.286 1.00 0.00 O ATOM 1682 CB LYS A 92 10.809 2.460 10.840 1.00 0.00 C ATOM 1683 CG LYS A 92 11.189 1.650 9.586 1.00 0.00 C ATOM 1684 CD LYS A 92 12.696 1.368 9.580 1.00 0.00 C ATOM 1685 CE LYS A 92 13.389 2.357 8.642 1.00 0.00 C ATOM 1686 NZ LYS A 92 14.832 1.959 8.634 1.00 0.00 N ATOM 0 H LYS A 92 9.582 -0.072 10.950 1.00 0.00 H new ATOM 0 HA LYS A 92 9.066 2.631 12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.807 3.525 10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.551 2.305 11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.635 0.711 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.910 2.202 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.099 1.461 10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.885 0.345 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.964 2.310 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.267 3.382 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.420 2.781 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.987 1.202 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.092 1.617 7.687 1.00 0.00 H new ATOM 1700 N MET A 93 7.293 1.459 10.250 1.00 0.00 N ATOM 1701 CA MET A 93 6.303 1.606 9.146 1.00 0.00 C ATOM 1702 C MET A 93 4.936 1.018 9.504 1.00 0.00 C ATOM 1703 O MET A 93 4.776 0.257 10.445 1.00 0.00 O ATOM 1704 CB MET A 93 6.921 0.854 7.965 1.00 0.00 C ATOM 1705 CG MET A 93 6.994 -0.639 8.285 1.00 0.00 C ATOM 1706 SD MET A 93 7.532 -1.547 6.820 1.00 0.00 S ATOM 1707 CE MET A 93 5.892 -1.840 6.114 1.00 0.00 C ATOM 0 H MET A 93 7.048 0.793 10.983 1.00 0.00 H new ATOM 0 HA MET A 93 6.114 2.657 8.927 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.324 1.014 7.067 1.00 0.00 H new ATOM 0 HB3 MET A 93 7.919 1.240 7.758 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.688 -0.811 9.107 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.018 -1.000 8.611 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.773 -2.902 5.898 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.128 -1.527 6.826 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.785 -1.268 5.192 1.00 0.00 H new ATOM 1717 N LYS A 94 3.956 1.388 8.734 1.00 0.00 N ATOM 1718 CA LYS A 94 2.571 0.909 8.950 1.00 0.00 C ATOM 1719 C LYS A 94 1.716 1.379 7.755 1.00 0.00 C ATOM 1720 O LYS A 94 1.144 0.584 7.034 1.00 0.00 O ATOM 1721 CB LYS A 94 2.158 1.583 10.267 1.00 0.00 C ATOM 1722 CG LYS A 94 0.640 1.668 10.365 1.00 0.00 C ATOM 1723 CD LYS A 94 0.232 3.139 10.367 1.00 0.00 C ATOM 1724 CE LYS A 94 -0.061 3.586 11.800 1.00 0.00 C ATOM 1725 NZ LYS A 94 -1.516 3.887 11.798 1.00 0.00 N ATOM 0 H LYS A 94 4.063 2.021 7.941 1.00 0.00 H new ATOM 0 HA LYS A 94 2.458 -0.173 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.553 1.018 11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.589 2.583 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.177 1.149 9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.292 1.178 11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.028 3.749 9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.649 3.284 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.183 2.804 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.527 4.463 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.800 4.235 12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.719 4.614 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.049 3.023 11.574 1.00 0.00 H new ATOM 1739 N LEU A 95 1.683 2.676 7.532 1.00 0.00 N ATOM 1740 CA LEU A 95 0.929 3.264 6.373 1.00 0.00 C ATOM 1741 C LEU A 95 1.167 4.784 6.321 1.00 0.00 C ATOM 1742 O LEU A 95 1.469 5.344 5.281 1.00 0.00 O ATOM 1743 CB LEU A 95 -0.561 2.953 6.618 1.00 0.00 C ATOM 1744 CG LEU A 95 -1.174 2.135 5.464 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -2.602 2.619 5.226 1.00 0.00 C ATOM 1746 CD2 LEU A 95 -0.392 2.304 4.156 1.00 0.00 C ATOM 0 H LEU A 95 2.157 3.365 8.117 1.00 0.00 H new ATOM 0 HA LEU A 95 1.258 2.846 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.668 2.401 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.112 3.886 6.735 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.143 1.084 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.048 2.049 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.190 2.478 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.589 3.677 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.861 1.709 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.393 3.354 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.635 1.969 4.300 1.00 0.00 H new ATOM 1758 N ARG A 96 1.041 5.458 7.437 1.00 0.00 N ATOM 1759 CA ARG A 96 1.270 6.933 7.450 1.00 0.00 C ATOM 1760 C ARG A 96 2.738 7.249 7.801 1.00 0.00 C ATOM 1761 O ARG A 96 3.065 7.544 8.937 1.00 0.00 O ATOM 1762 CB ARG A 96 0.323 7.473 8.524 1.00 0.00 C ATOM 1763 CG ARG A 96 0.260 9.000 8.417 1.00 0.00 C ATOM 1764 CD ARG A 96 -0.584 9.567 9.562 1.00 0.00 C ATOM 1765 NE ARG A 96 -1.985 9.148 9.258 1.00 0.00 N ATOM 1766 CZ ARG A 96 -2.757 8.730 10.210 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -2.682 7.509 10.614 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -3.614 9.529 10.758 1.00 0.00 N ATOM 0 H ARG A 96 0.790 5.050 8.338 1.00 0.00 H new ATOM 0 HA ARG A 96 1.080 7.387 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.672 7.046 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.672 7.180 9.514 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.266 9.418 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.171 9.289 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.256 9.176 10.525 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.500 10.653 9.614 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.334 9.191 8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.014 6.870 10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.291 7.182 11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.685 10.496 10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.219 9.192 11.507 1.00 0.00 H new ATOM 1782 N TYR A 97 3.620 7.196 6.831 1.00 0.00 N ATOM 1783 CA TYR A 97 5.060 7.498 7.093 1.00 0.00 C ATOM 1784 C TYR A 97 5.722 7.938 5.780 1.00 0.00 C ATOM 1785 O TYR A 97 5.319 7.494 4.718 1.00 0.00 O ATOM 1786 CB TYR A 97 5.649 6.178 7.598 1.00 0.00 C ATOM 1787 CG TYR A 97 6.611 6.438 8.736 1.00 0.00 C ATOM 1788 CD1 TYR A 97 6.276 7.332 9.763 1.00 0.00 C ATOM 1789 CD2 TYR A 97 7.841 5.778 8.761 1.00 0.00 C ATOM 1790 CE1 TYR A 97 7.177 7.561 10.813 1.00 0.00 C ATOM 1791 CE2 TYR A 97 8.738 6.008 9.807 1.00 0.00 C ATOM 1792 CZ TYR A 97 8.409 6.898 10.833 1.00 0.00 C ATOM 1793 OH TYR A 97 9.306 7.126 11.861 1.00 0.00 O ATOM 0 H TYR A 97 3.401 6.955 5.864 1.00 0.00 H new ATOM 0 HA TYR A 97 5.212 8.300 7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.848 5.518 7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.165 5.667 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.325 7.844 9.745 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.099 5.089 7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.920 8.248 11.605 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.689 5.496 9.823 1.00 0.00 H new ATOM 0 HH TYR A 97 9.364 6.328 12.428 1.00 0.00 H new ATOM 1803 N PRO A 98 6.700 8.809 5.872 1.00 0.00 N ATOM 1804 CA PRO A 98 7.369 9.302 4.654 1.00 0.00 C ATOM 1805 C PRO A 98 8.576 8.421 4.355 1.00 0.00 C ATOM 1806 O PRO A 98 8.745 7.358 4.925 1.00 0.00 O ATOM 1807 CB PRO A 98 7.861 10.682 5.066 1.00 0.00 C ATOM 1808 CG PRO A 98 8.073 10.589 6.546 1.00 0.00 C ATOM 1809 CD PRO A 98 7.274 9.414 7.076 1.00 0.00 C ATOM 0 HA PRO A 98 6.724 9.308 3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.785 10.942 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.130 11.452 4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.132 10.458 6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.757 11.512 7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.908 8.709 7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.498 9.738 7.769 1.00 0.00 H new ATOM 1817 N ILE A 99 9.443 8.874 3.504 1.00 0.00 N ATOM 1818 CA ILE A 99 10.656 8.096 3.216 1.00 0.00 C ATOM 1819 C ILE A 99 11.872 8.931 3.642 1.00 0.00 C ATOM 1820 O ILE A 99 12.381 9.750 2.897 1.00 0.00 O ATOM 1821 CB ILE A 99 10.600 7.820 1.712 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.408 9.125 0.905 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.436 6.851 1.414 1.00 0.00 C ATOM 1824 CD1 ILE A 99 8.918 9.418 0.692 1.00 0.00 C ATOM 0 H ILE A 99 9.358 9.754 2.996 1.00 0.00 H new ATOM 0 HA ILE A 99 10.730 7.151 3.755 1.00 0.00 H new ATOM 0 HB ILE A 99 11.548 7.374 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.875 9.957 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.908 9.038 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.393 6.652 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.595 5.916 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.497 7.300 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.806 10.340 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.460 8.595 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.427 9.527 1.659 1.00 0.00 H new ATOM 1836 N ASN A 100 12.313 8.740 4.862 1.00 0.00 N ATOM 1837 CA ASN A 100 13.471 9.526 5.397 1.00 0.00 C ATOM 1838 C ASN A 100 14.800 8.822 5.097 1.00 0.00 C ATOM 1839 O ASN A 100 14.831 7.666 4.722 1.00 0.00 O ATOM 1840 CB ASN A 100 13.247 9.603 6.915 1.00 0.00 C ATOM 1841 CG ASN A 100 11.834 10.101 7.222 1.00 0.00 C ATOM 1842 OD1 ASN A 100 10.983 9.329 7.624 1.00 0.00 O ATOM 1843 ND2 ASN A 100 11.544 11.358 7.062 1.00 0.00 N ATOM 0 H ASN A 100 11.916 8.066 5.517 1.00 0.00 H new ATOM 0 HA ASN A 100 13.526 10.513 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.398 8.620 7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.981 10.273 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.605 11.696 7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.255 12.007 6.725 1.00 0.00 H new ATOM 1850 N GLU A 101 15.893 9.519 5.270 1.00 0.00 N ATOM 1851 CA GLU A 101 17.241 8.920 5.006 1.00 0.00 C ATOM 1852 C GLU A 101 17.484 7.679 5.885 1.00 0.00 C ATOM 1853 O GLU A 101 17.194 7.670 7.073 1.00 0.00 O ATOM 1854 CB GLU A 101 18.242 10.037 5.353 1.00 0.00 C ATOM 1855 CG GLU A 101 18.092 10.456 6.828 1.00 0.00 C ATOM 1856 CD GLU A 101 17.369 11.804 6.926 1.00 0.00 C ATOM 1857 OE1 GLU A 101 16.292 11.923 6.360 1.00 0.00 O ATOM 1858 OE2 GLU A 101 17.900 12.688 7.572 1.00 0.00 O ATOM 0 H GLU A 101 15.912 10.489 5.586 1.00 0.00 H new ATOM 0 HA GLU A 101 17.338 8.581 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 101 19.259 9.692 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.075 10.898 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.534 9.696 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.074 10.528 7.295 1.00 0.00 H new