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 92 LYS NZ :NH3+ 140:sc= 2.35 (180deg=-0.728) USER MOD Set 1.2: A 97 TYR OH : rot -55:sc= 1.35 USER MOD Set 1.3: A 100 ASN : amide:sc= 0.83 K(o=4.5,f=2) USER MOD Set 2.1: A 48 SER OG : rot 164:sc= 0.835 USER MOD Set 2.2: A 57 HIS : no HD1:sc= -2.18! C(o=-1.3!,f=-2.7!) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0.565 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -148:sc= 0.464! (180deg=-1.98!) USER MOD Set 4.1: A 23 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.013) USER MOD Set 4.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 8 SER OG : rot 87:sc= -0.997 USER MOD Set 5.2: A 86 LYS NZ :NH3+ -119:sc= -1.83! (180deg=-9.92!) USER MOD Single : A 6 HIS : no HE2:sc= 0.773 K(o=0.77,f=-2.9!) USER MOD Single : A 9 LYS NZ :NH3+ 149:sc= 1.09! (180deg=0.0786) USER MOD Single : A 12 TYR OH : rot 173:sc= -0.379 USER MOD Single : A 13 HIS : no HE2:sc= -5.65! C(o=-5.7!,f=-18!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.624 K(o=0.62,f=-8.2!) USER MOD Single : A 43 ASN : amide:sc= -0.588 K(o=-0.59,f=-9.9!) USER MOD Single : A 44 SER OG : rot -46:sc= -1.69! USER MOD Single : A 45 TYR OH : rot 0:sc= -2.51! USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0.944 (180deg=0.769) USER MOD Single : A 56 LYS NZ :NH3+ -139:sc= 1.07 (180deg=-1.26) USER MOD Single : A 58 CYS SG : rot 35:sc= 0.361 USER MOD Single : A 61 GLN : amide:sc= 0.422 K(o=0.42,f=-15!) USER MOD Single : A 62 GLN : amide:sc= 0.576 K(o=0.58,f=-6.8!) USER MOD Single : A 65 GLN : amide:sc= 1.05 K(o=1,f=-0.28) USER MOD Single : A 66 THR OG1 : rot 1:sc= 0.985 USER MOD Single : A 68 MET CE :methyl -107:sc= -0.663 (180deg=-3.83!) USER MOD Single : A 71 ASN : amide:sc= -3.84! C(o=-3.8!,f=-12!) USER MOD Single : A 72 SER OG : rot 40:sc= 1.17 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00783 USER MOD Single : A 82 SER OG : rot -87:sc= 0.325 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -35:sc= 0.781 USER MOD Single : A 87 HIS : no HE2:sc= -0.309 K(o=-0.31,f=-3.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 93 MET CE :methyl -106:sc= -0.335 (180deg=-2.7!) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= 0.519 (180deg=-2.15!) USER MOD Single : B 8 SER OG : rot 26:sc= -0.429 USER MOD ----------------------------------------------------------------- ATOM 33 N GLU B 4 5.676 -3.322 -15.663 1.00 0.00 N ATOM 34 CA GLU B 4 4.366 -3.338 -14.923 1.00 0.00 C ATOM 35 C GLU B 4 3.624 -4.669 -15.165 1.00 0.00 C ATOM 36 O GLU B 4 2.666 -4.734 -15.921 1.00 0.00 O ATOM 37 CB GLU B 4 3.563 -2.158 -15.501 1.00 0.00 C ATOM 38 CG GLU B 4 4.309 -0.834 -15.260 1.00 0.00 C ATOM 39 CD GLU B 4 3.323 0.339 -15.315 1.00 0.00 C ATOM 40 OE1 GLU B 4 2.295 0.255 -14.665 1.00 0.00 O ATOM 41 OE2 GLU B 4 3.612 1.308 -16.001 1.00 0.00 O ATOM 0 HA GLU B 4 4.505 -3.248 -13.846 1.00 0.00 H new ATOM 0 HB2 GLU B 4 3.406 -2.305 -16.570 1.00 0.00 H new ATOM 0 HB3 GLU B 4 2.578 -2.118 -15.036 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.805 -0.858 -14.290 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.086 -0.702 -16.013 1.00 0.00 H new ATOM 48 N VAL B 5 4.058 -5.738 -14.537 1.00 0.00 N ATOM 49 CA VAL B 5 3.379 -7.063 -14.750 1.00 0.00 C ATOM 50 C VAL B 5 2.956 -7.715 -13.414 1.00 0.00 C ATOM 51 O VAL B 5 3.628 -8.583 -12.888 1.00 0.00 O ATOM 52 CB VAL B 5 4.414 -7.927 -15.492 1.00 0.00 C ATOM 53 CG1 VAL B 5 5.738 -7.962 -14.718 1.00 0.00 C ATOM 54 CG2 VAL B 5 3.877 -9.354 -15.636 1.00 0.00 C ATOM 0 H VAL B 5 4.847 -5.753 -13.890 1.00 0.00 H new ATOM 0 HA VAL B 5 2.456 -6.952 -15.319 1.00 0.00 H new ATOM 0 HB VAL B 5 4.591 -7.493 -16.476 1.00 0.00 H new ATOM 0 HG11 VAL B 5 6.458 -8.577 -15.257 1.00 0.00 H new ATOM 0 HG12 VAL B 5 6.128 -6.949 -14.619 1.00 0.00 H new ATOM 0 HG13 VAL B 5 5.569 -8.384 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL B 5 4.609 -9.967 -16.161 1.00 0.00 H new ATOM 0 HG22 VAL B 5 3.694 -9.775 -14.648 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.945 -9.337 -16.202 1.00 0.00 H new ATOM 89 N GLU B 7 -0.498 -9.314 -10.829 1.00 0.00 N ATOM 90 CA GLU B 7 -1.861 -9.936 -10.960 1.00 0.00 C ATOM 91 C GLU B 7 -2.605 -10.008 -9.599 1.00 0.00 C ATOM 92 O GLU B 7 -3.816 -9.899 -9.558 1.00 0.00 O ATOM 93 CB GLU B 7 -1.640 -11.349 -11.541 1.00 0.00 C ATOM 94 CG GLU B 7 -0.326 -11.970 -11.035 1.00 0.00 C ATOM 95 CD GLU B 7 -0.474 -12.402 -9.577 1.00 0.00 C ATOM 96 OE1 GLU B 7 -1.309 -13.250 -9.308 1.00 0.00 O ATOM 97 OE2 GLU B 7 0.246 -11.866 -8.751 1.00 0.00 O ATOM 0 HA GLU B 7 -2.492 -9.330 -11.610 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -2.476 -11.991 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.623 -11.297 -12.630 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.060 -12.829 -11.651 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.485 -11.248 -11.127 1.00 0.00 H new ATOM 104 N SER B 8 -1.909 -10.198 -8.496 1.00 0.00 N ATOM 105 CA SER B 8 -2.597 -10.281 -7.155 1.00 0.00 C ATOM 106 C SER B 8 -1.745 -9.592 -6.073 1.00 0.00 C ATOM 107 O SER B 8 -0.710 -10.102 -5.691 1.00 0.00 O ATOM 108 CB SER B 8 -2.719 -11.777 -6.860 1.00 0.00 C ATOM 109 OG SER B 8 -3.938 -12.267 -7.406 1.00 0.00 O ATOM 0 H SER B 8 -0.895 -10.299 -8.464 1.00 0.00 H new ATOM 0 HA SER B 8 -3.567 -9.784 -7.162 1.00 0.00 H new ATOM 0 HB2 SER B 8 -1.873 -12.314 -7.289 1.00 0.00 H new ATOM 0 HB3 SER B 8 -2.694 -11.950 -5.784 1.00 0.00 H new ATOM 0 HG SER B 8 -4.207 -11.705 -8.162 1.00 0.00 H new ATOM 115 N PRO B 9 -2.198 -8.436 -5.633 1.00 0.00 N ATOM 116 CA PRO B 9 -1.450 -7.651 -4.609 1.00 0.00 C ATOM 117 C PRO B 9 -1.633 -8.198 -3.178 1.00 0.00 C ATOM 118 O PRO B 9 -1.963 -9.350 -2.969 1.00 0.00 O ATOM 119 CB PRO B 9 -2.052 -6.254 -4.736 1.00 0.00 C ATOM 120 CG PRO B 9 -3.423 -6.458 -5.289 1.00 0.00 C ATOM 121 CD PRO B 9 -3.429 -7.757 -6.049 1.00 0.00 C ATOM 0 HA PRO B 9 -0.374 -7.687 -4.776 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.090 -5.754 -3.768 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -1.452 -5.627 -5.396 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -4.158 -6.483 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.696 -5.631 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.310 -8.352 -5.809 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.443 -7.586 -7.125 1.00 0.00 H new ATOM 154 N ALA B 11 -2.235 -9.955 -0.173 1.00 0.00 N ATOM 155 CA ALA B 11 -3.238 -11.010 0.166 1.00 0.00 C ATOM 156 C ALA B 11 -3.208 -11.285 1.682 1.00 0.00 C ATOM 157 O ALA B 11 -4.098 -11.911 2.228 1.00 0.00 O ATOM 158 CB ALA B 11 -2.791 -12.246 -0.619 1.00 0.00 C ATOM 0 HA ALA B 11 -4.258 -10.719 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -3.478 -13.069 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -2.790 -12.019 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -1.786 -12.531 -0.308 1.00 0.00 H new ATOM 164 N ASP B 12 -2.184 -10.810 2.357 1.00 0.00 N ATOM 165 CA ASP B 12 -2.056 -11.014 3.832 1.00 0.00 C ATOM 166 C ASP B 12 -2.745 -9.864 4.592 1.00 0.00 C ATOM 167 O ASP B 12 -2.619 -8.715 4.219 1.00 0.00 O ATOM 168 CB ASP B 12 -0.534 -11.039 4.105 1.00 0.00 C ATOM 169 CG ASP B 12 0.166 -9.778 3.556 1.00 0.00 C ATOM 170 OD1 ASP B 12 -0.049 -9.438 2.397 1.00 0.00 O ATOM 171 OD2 ASP B 12 0.936 -9.187 4.293 1.00 0.00 O ATOM 0 H ASP B 12 -1.420 -10.281 1.936 1.00 0.00 H new ATOM 0 HA ASP B 12 -2.535 -11.933 4.169 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -0.358 -11.115 5.178 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -0.097 -11.926 3.647 1.00 0.00 H new ATOM 176 N PRO B 13 -3.470 -10.217 5.630 1.00 0.00 N ATOM 177 CA PRO B 13 -4.203 -9.200 6.438 1.00 0.00 C ATOM 178 C PRO B 13 -3.265 -8.393 7.362 1.00 0.00 C ATOM 179 O PRO B 13 -3.676 -7.412 7.950 1.00 0.00 O ATOM 180 CB PRO B 13 -5.177 -10.038 7.261 1.00 0.00 C ATOM 181 CG PRO B 13 -4.547 -11.392 7.359 1.00 0.00 C ATOM 182 CD PRO B 13 -3.676 -11.579 6.142 1.00 0.00 C ATOM 0 HA PRO B 13 -4.688 -8.453 5.810 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.332 -9.604 8.249 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -6.153 -10.092 6.780 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -3.954 -11.473 8.270 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -5.311 -12.168 7.406 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -2.730 -12.055 6.399 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.160 -12.214 5.400 1.00 0.00 H new ATOM 243 N GLY A 4 -10.903 2.951 9.108 1.00 0.00 N ATOM 244 CA GLY A 4 -10.003 3.854 8.320 1.00 0.00 C ATOM 245 C GLY A 4 -10.771 4.488 7.149 1.00 0.00 C ATOM 246 O GLY A 4 -11.768 5.153 7.348 1.00 0.00 O ATOM 0 HA2 GLY A 4 -9.604 4.635 8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.152 3.289 7.941 1.00 0.00 H new ATOM 250 N ILE A 5 -10.301 4.295 5.931 1.00 0.00 N ATOM 251 CA ILE A 5 -10.983 4.869 4.697 1.00 0.00 C ATOM 252 C ILE A 5 -10.963 6.418 4.632 1.00 0.00 C ATOM 253 O ILE A 5 -10.927 6.983 3.554 1.00 0.00 O ATOM 254 CB ILE A 5 -12.436 4.356 4.741 1.00 0.00 C ATOM 255 CG1 ILE A 5 -12.510 2.937 4.166 1.00 0.00 C ATOM 256 CG2 ILE A 5 -13.343 5.267 3.905 1.00 0.00 C ATOM 257 CD1 ILE A 5 -11.820 1.960 5.115 1.00 0.00 C ATOM 0 H ILE A 5 -9.459 3.755 5.729 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.445 4.546 3.806 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.767 4.355 5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.551 2.646 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.033 2.906 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.367 4.895 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -13.310 6.280 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.998 5.274 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.875 0.952 4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.775 2.246 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.317 1.983 6.085 1.00 0.00 H new ATOM 269 N HIS A 6 -10.999 7.113 5.742 1.00 0.00 N ATOM 270 CA HIS A 6 -10.993 8.611 5.684 1.00 0.00 C ATOM 271 C HIS A 6 -10.009 9.183 6.709 1.00 0.00 C ATOM 272 O HIS A 6 -9.124 9.944 6.368 1.00 0.00 O ATOM 273 CB HIS A 6 -12.435 9.026 6.000 1.00 0.00 C ATOM 274 CG HIS A 6 -13.072 9.603 4.766 1.00 0.00 C ATOM 275 ND1 HIS A 6 -12.887 9.049 3.509 1.00 0.00 N ATOM 276 CD2 HIS A 6 -13.893 10.686 4.580 1.00 0.00 C ATOM 277 CE1 HIS A 6 -13.585 9.794 2.631 1.00 0.00 C ATOM 278 NE2 HIS A 6 -14.216 10.805 3.231 1.00 0.00 N ATOM 0 H HIS A 6 -11.032 6.713 6.680 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.672 8.988 4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.005 8.164 6.348 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.445 9.761 6.805 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -12.325 8.227 3.289 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.237 11.347 5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.629 9.597 1.570 1.00 0.00 H new ATOM 286 N GLU A 7 -10.139 8.808 7.960 1.00 0.00 N ATOM 287 CA GLU A 7 -9.189 9.323 8.999 1.00 0.00 C ATOM 288 C GLU A 7 -7.780 8.725 8.796 1.00 0.00 C ATOM 289 O GLU A 7 -6.836 9.114 9.463 1.00 0.00 O ATOM 290 CB GLU A 7 -9.786 8.890 10.349 1.00 0.00 C ATOM 291 CG GLU A 7 -9.595 7.379 10.559 1.00 0.00 C ATOM 292 CD GLU A 7 -8.558 7.136 11.660 1.00 0.00 C ATOM 293 OE1 GLU A 7 -8.942 7.123 12.816 1.00 0.00 O ATOM 294 OE2 GLU A 7 -7.392 6.949 11.324 1.00 0.00 O ATOM 0 H GLU A 7 -10.857 8.171 8.305 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.072 10.405 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.307 9.440 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.847 9.137 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.544 6.918 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.269 6.912 9.630 1.00 0.00 H new ATOM 301 N SER A 8 -7.630 7.788 7.879 1.00 0.00 N ATOM 302 CA SER A 8 -6.285 7.171 7.625 1.00 0.00 C ATOM 303 C SER A 8 -5.443 8.089 6.740 1.00 0.00 C ATOM 304 O SER A 8 -5.606 9.296 6.752 1.00 0.00 O ATOM 305 CB SER A 8 -6.558 5.849 6.906 1.00 0.00 C ATOM 306 OG SER A 8 -7.721 5.247 7.461 1.00 0.00 O ATOM 0 H SER A 8 -8.385 7.426 7.296 1.00 0.00 H new ATOM 0 HA SER A 8 -5.734 7.016 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.698 6.023 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.703 5.181 7.010 1.00 0.00 H new ATOM 0 HG SER A 8 -8.517 5.590 7.004 1.00 0.00 H new ATOM 312 N LYS A 9 -4.525 7.545 5.988 1.00 0.00 N ATOM 313 CA LYS A 9 -3.679 8.442 5.144 1.00 0.00 C ATOM 314 C LYS A 9 -3.260 7.815 3.792 1.00 0.00 C ATOM 315 O LYS A 9 -3.033 8.528 2.832 1.00 0.00 O ATOM 316 CB LYS A 9 -2.472 8.765 6.042 1.00 0.00 C ATOM 317 CG LYS A 9 -1.257 7.918 5.659 1.00 0.00 C ATOM 318 CD LYS A 9 -0.324 8.746 4.769 1.00 0.00 C ATOM 319 CE LYS A 9 -0.035 7.986 3.473 1.00 0.00 C ATOM 320 NZ LYS A 9 0.941 6.926 3.851 1.00 0.00 N ATOM 0 H LYS A 9 -4.326 6.547 5.920 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.226 9.333 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.223 9.823 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.732 8.583 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.729 7.592 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.577 7.019 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.782 9.709 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.608 8.953 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.946 7.553 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.378 8.648 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.802 6.093 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.909 7.286 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.794 6.658 4.845 1.00 0.00 H new ATOM 334 N GLU A 10 -3.145 6.512 3.682 1.00 0.00 N ATOM 335 CA GLU A 10 -2.729 5.923 2.363 1.00 0.00 C ATOM 336 C GLU A 10 -3.925 5.819 1.398 1.00 0.00 C ATOM 337 O GLU A 10 -4.222 4.772 0.852 1.00 0.00 O ATOM 338 CB GLU A 10 -2.156 4.543 2.692 1.00 0.00 C ATOM 339 CG GLU A 10 -1.233 4.087 1.548 1.00 0.00 C ATOM 340 CD GLU A 10 -0.172 5.149 1.273 1.00 0.00 C ATOM 341 OE1 GLU A 10 0.731 5.278 2.083 1.00 0.00 O ATOM 342 OE2 GLU A 10 -0.284 5.823 0.264 1.00 0.00 O ATOM 0 H GLU A 10 -3.317 5.841 4.430 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.993 6.549 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.600 4.582 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.964 3.825 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.754 3.144 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.820 3.907 0.647 1.00 0.00 H new ATOM 349 N TRP A 11 -4.598 6.915 1.172 1.00 0.00 N ATOM 350 CA TRP A 11 -5.769 6.915 0.229 1.00 0.00 C ATOM 351 C TRP A 11 -5.396 7.526 -1.138 1.00 0.00 C ATOM 352 O TRP A 11 -6.259 7.783 -1.955 1.00 0.00 O ATOM 353 CB TRP A 11 -6.912 7.719 0.894 1.00 0.00 C ATOM 354 CG TRP A 11 -6.399 8.766 1.840 1.00 0.00 C ATOM 355 CD1 TRP A 11 -6.692 8.816 3.160 1.00 0.00 C ATOM 356 CD2 TRP A 11 -5.528 9.905 1.569 1.00 0.00 C ATOM 357 NE1 TRP A 11 -6.056 9.910 3.718 1.00 0.00 N ATOM 358 CE2 TRP A 11 -5.325 10.613 2.779 1.00 0.00 C ATOM 359 CE3 TRP A 11 -4.899 10.387 0.407 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -4.529 11.756 2.832 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -4.096 11.538 0.457 1.00 0.00 C ATOM 362 CH2 TRP A 11 -3.911 12.221 1.667 1.00 0.00 C ATOM 0 H TRP A 11 -4.391 7.818 1.599 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.085 5.890 0.037 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.515 8.195 0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.568 7.035 1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.320 8.116 3.691 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.119 10.167 4.703 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.035 9.868 -0.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.390 12.279 3.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.618 11.899 -0.442 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.292 13.105 1.699 1.00 0.00 H new ATOM 373 N TYR A 12 -4.133 7.792 -1.391 1.00 0.00 N ATOM 374 CA TYR A 12 -3.739 8.419 -2.701 1.00 0.00 C ATOM 375 C TYR A 12 -3.942 7.482 -3.925 1.00 0.00 C ATOM 376 O TYR A 12 -3.431 7.747 -4.998 1.00 0.00 O ATOM 377 CB TYR A 12 -2.260 8.797 -2.532 1.00 0.00 C ATOM 378 CG TYR A 12 -1.816 9.611 -3.726 1.00 0.00 C ATOM 379 CD1 TYR A 12 -2.706 10.507 -4.330 1.00 0.00 C ATOM 380 CD2 TYR A 12 -0.526 9.453 -4.241 1.00 0.00 C ATOM 381 CE1 TYR A 12 -2.309 11.242 -5.445 1.00 0.00 C ATOM 382 CE2 TYR A 12 -0.127 10.195 -5.358 1.00 0.00 C ATOM 383 CZ TYR A 12 -1.019 11.088 -5.960 1.00 0.00 C ATOM 384 OH TYR A 12 -0.627 11.815 -7.064 1.00 0.00 O ATOM 0 H TYR A 12 -3.361 7.604 -0.752 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.374 9.279 -2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.121 9.369 -1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.650 7.898 -2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.702 10.629 -3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.161 8.760 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.998 11.931 -5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.870 10.078 -5.755 1.00 0.00 H new ATOM 0 HH TYR A 12 0.329 11.673 -7.226 1.00 0.00 H new ATOM 394 N HIS A 13 -4.691 6.413 -3.798 1.00 0.00 N ATOM 395 CA HIS A 13 -4.925 5.514 -4.975 1.00 0.00 C ATOM 396 C HIS A 13 -5.841 6.225 -5.990 1.00 0.00 C ATOM 397 O HIS A 13 -7.022 5.933 -6.106 1.00 0.00 O ATOM 398 CB HIS A 13 -5.605 4.247 -4.414 1.00 0.00 C ATOM 399 CG HIS A 13 -6.711 4.626 -3.463 1.00 0.00 C ATOM 400 ND1 HIS A 13 -7.843 5.302 -3.883 1.00 0.00 N ATOM 401 CD2 HIS A 13 -6.851 4.468 -2.110 1.00 0.00 C ATOM 402 CE1 HIS A 13 -8.608 5.528 -2.803 1.00 0.00 C ATOM 403 NE2 HIS A 13 -8.048 5.040 -1.696 1.00 0.00 N ATOM 0 H HIS A 13 -5.149 6.124 -2.934 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.999 5.261 -5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.008 3.650 -5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.870 3.628 -3.900 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -8.058 5.579 -4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.140 3.975 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.558 6.041 -2.828 1.00 0.00 H new ATOM 411 N ALA A 14 -5.304 7.156 -6.725 1.00 0.00 N ATOM 412 CA ALA A 14 -6.130 7.892 -7.724 1.00 0.00 C ATOM 413 C ALA A 14 -5.374 8.000 -9.049 1.00 0.00 C ATOM 414 O ALA A 14 -5.714 7.338 -10.012 1.00 0.00 O ATOM 415 CB ALA A 14 -6.364 9.272 -7.100 1.00 0.00 C ATOM 0 H ALA A 14 -4.326 7.441 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.072 7.390 -7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.967 9.879 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.886 9.158 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.405 9.762 -6.930 1.00 0.00 H new ATOM 421 N SER A 15 -4.348 8.814 -9.104 1.00 0.00 N ATOM 422 CA SER A 15 -3.560 8.952 -10.368 1.00 0.00 C ATOM 423 C SER A 15 -2.221 9.653 -10.095 1.00 0.00 C ATOM 424 O SER A 15 -2.167 10.842 -9.845 1.00 0.00 O ATOM 425 CB SER A 15 -4.431 9.791 -11.307 1.00 0.00 C ATOM 426 OG SER A 15 -4.601 9.087 -12.540 1.00 0.00 O ATOM 0 H SER A 15 -4.022 9.389 -8.327 1.00 0.00 H new ATOM 0 HA SER A 15 -3.322 7.982 -10.804 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.400 9.985 -10.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.964 10.759 -11.488 1.00 0.00 H new ATOM 0 HG SER A 15 -5.159 9.618 -13.146 1.00 0.00 H new ATOM 432 N LEU A 16 -1.145 8.915 -10.142 1.00 0.00 N ATOM 433 CA LEU A 16 0.207 9.509 -9.897 1.00 0.00 C ATOM 434 C LEU A 16 1.228 8.836 -10.828 1.00 0.00 C ATOM 435 O LEU A 16 0.906 8.473 -11.946 1.00 0.00 O ATOM 436 CB LEU A 16 0.510 9.210 -8.418 1.00 0.00 C ATOM 437 CG LEU A 16 0.508 7.695 -8.172 1.00 0.00 C ATOM 438 CD1 LEU A 16 1.807 7.281 -7.474 1.00 0.00 C ATOM 439 CD2 LEU A 16 -0.681 7.324 -7.281 1.00 0.00 C ATOM 0 H LEU A 16 -1.142 7.915 -10.342 1.00 0.00 H new ATOM 0 HA LEU A 16 0.251 10.580 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.479 9.629 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.234 9.690 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 16 0.428 7.178 -9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.800 6.205 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.658 7.543 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.889 7.801 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.683 6.248 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.598 7.846 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.609 7.613 -7.774 1.00 0.00 H new ATOM 451 N THR A 17 2.444 8.647 -10.385 1.00 0.00 N ATOM 452 CA THR A 17 3.452 7.972 -11.253 1.00 0.00 C ATOM 453 C THR A 17 3.227 6.457 -11.221 1.00 0.00 C ATOM 454 O THR A 17 2.756 5.908 -10.243 1.00 0.00 O ATOM 455 CB THR A 17 4.830 8.312 -10.665 1.00 0.00 C ATOM 456 OG1 THR A 17 4.698 8.750 -9.315 1.00 0.00 O ATOM 457 CG2 THR A 17 5.477 9.419 -11.494 1.00 0.00 C ATOM 0 H THR A 17 2.781 8.929 -9.465 1.00 0.00 H new ATOM 0 HA THR A 17 3.374 8.303 -12.289 1.00 0.00 H new ATOM 0 HB THR A 17 5.454 7.418 -10.689 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.583 8.962 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.455 9.661 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.595 9.081 -12.524 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.844 10.306 -11.473 1.00 0.00 H new ATOM 465 N ARG A 18 3.572 5.781 -12.280 1.00 0.00 N ATOM 466 CA ARG A 18 3.404 4.296 -12.327 1.00 0.00 C ATOM 467 C ARG A 18 4.505 3.620 -11.483 1.00 0.00 C ATOM 468 O ARG A 18 4.799 4.052 -10.384 1.00 0.00 O ATOM 469 CB ARG A 18 3.486 3.883 -13.799 1.00 0.00 C ATOM 470 CG ARG A 18 2.460 4.650 -14.640 1.00 0.00 C ATOM 471 CD ARG A 18 3.111 5.128 -15.948 1.00 0.00 C ATOM 472 NE ARG A 18 3.424 3.885 -16.727 1.00 0.00 N ATOM 473 CZ ARG A 18 3.626 3.954 -18.010 1.00 0.00 C ATOM 474 NH1 ARG A 18 4.762 4.381 -18.469 1.00 0.00 N ATOM 475 NH2 ARG A 18 2.697 3.578 -18.829 1.00 0.00 N ATOM 0 H ARG A 18 3.967 6.195 -13.125 1.00 0.00 H new ATOM 0 HA ARG A 18 2.446 3.985 -11.910 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.490 4.074 -14.179 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.309 2.811 -13.891 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.606 4.010 -14.861 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.081 5.504 -14.078 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.437 5.779 -16.505 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.016 5.702 -15.748 1.00 0.00 H new ATOM 0 HE ARG A 18 3.478 2.985 -16.250 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.499 4.664 -17.823 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.918 4.434 -19.476 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.809 3.229 -18.468 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.853 3.631 -19.836 1.00 0.00 H new ATOM 489 N ALA A 19 5.079 2.537 -11.966 1.00 0.00 N ATOM 490 CA ALA A 19 6.132 1.793 -11.185 1.00 0.00 C ATOM 491 C ALA A 19 7.153 2.743 -10.531 1.00 0.00 C ATOM 492 O ALA A 19 7.798 2.378 -9.569 1.00 0.00 O ATOM 493 CB ALA A 19 6.825 0.904 -12.222 1.00 0.00 C ATOM 0 H ALA A 19 4.862 2.132 -12.877 1.00 0.00 H new ATOM 0 HA ALA A 19 5.688 1.229 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.610 0.324 -11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.096 0.227 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.263 1.528 -13.001 1.00 0.00 H new ATOM 499 N GLN A 20 7.283 3.959 -11.008 1.00 0.00 N ATOM 500 CA GLN A 20 8.237 4.917 -10.362 1.00 0.00 C ATOM 501 C GLN A 20 7.941 5.000 -8.851 1.00 0.00 C ATOM 502 O GLN A 20 8.842 4.985 -8.034 1.00 0.00 O ATOM 503 CB GLN A 20 7.962 6.269 -11.028 1.00 0.00 C ATOM 504 CG GLN A 20 8.417 6.237 -12.491 1.00 0.00 C ATOM 505 CD GLN A 20 7.433 7.027 -13.354 1.00 0.00 C ATOM 506 OE1 GLN A 20 6.306 6.613 -13.545 1.00 0.00 O ATOM 507 NE2 GLN A 20 7.807 8.154 -13.883 1.00 0.00 N ATOM 0 H GLN A 20 6.774 4.328 -11.811 1.00 0.00 H new ATOM 0 HA GLN A 20 9.276 4.611 -10.480 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.898 6.500 -10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.487 7.060 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.417 6.662 -12.580 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.476 5.206 -12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.752 8.503 -13.724 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.155 8.689 -14.457 1.00 0.00 H new ATOM 516 N ALA A 21 6.679 5.065 -8.481 1.00 0.00 N ATOM 517 CA ALA A 21 6.313 5.132 -7.026 1.00 0.00 C ATOM 518 C ALA A 21 6.462 3.753 -6.369 1.00 0.00 C ATOM 519 O ALA A 21 7.045 3.633 -5.310 1.00 0.00 O ATOM 520 CB ALA A 21 4.856 5.593 -6.992 1.00 0.00 C ATOM 0 H ALA A 21 5.888 5.074 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 21 6.963 5.813 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.521 5.664 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.772 6.570 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.234 4.874 -7.526 1.00 0.00 H new ATOM 526 N GLU A 22 5.959 2.710 -6.991 1.00 0.00 N ATOM 527 CA GLU A 22 6.102 1.343 -6.390 1.00 0.00 C ATOM 528 C GLU A 22 7.593 1.051 -6.164 1.00 0.00 C ATOM 529 O GLU A 22 7.983 0.523 -5.135 1.00 0.00 O ATOM 530 CB GLU A 22 5.502 0.362 -7.409 1.00 0.00 C ATOM 531 CG GLU A 22 4.018 0.684 -7.653 1.00 0.00 C ATOM 532 CD GLU A 22 3.158 0.173 -6.499 1.00 0.00 C ATOM 533 OE1 GLU A 22 2.834 -1.003 -6.504 1.00 0.00 O ATOM 534 OE2 GLU A 22 2.825 0.969 -5.637 1.00 0.00 O ATOM 0 H GLU A 22 5.460 2.745 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 22 5.594 1.256 -5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.053 0.421 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.604 -0.660 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.887 1.761 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.690 0.228 -8.587 1.00 0.00 H new ATOM 541 N HIS A 23 8.428 1.427 -7.109 1.00 0.00 N ATOM 542 CA HIS A 23 9.901 1.217 -6.956 1.00 0.00 C ATOM 543 C HIS A 23 10.437 2.151 -5.862 1.00 0.00 C ATOM 544 O HIS A 23 11.109 1.713 -4.947 1.00 0.00 O ATOM 545 CB HIS A 23 10.510 1.570 -8.321 1.00 0.00 C ATOM 546 CG HIS A 23 11.370 0.435 -8.802 1.00 0.00 C ATOM 547 ND1 HIS A 23 12.641 0.640 -9.313 1.00 0.00 N ATOM 548 CD2 HIS A 23 11.157 -0.919 -8.861 1.00 0.00 C ATOM 549 CE1 HIS A 23 13.141 -0.562 -9.654 1.00 0.00 C ATOM 550 NE2 HIS A 23 12.276 -1.547 -9.399 1.00 0.00 N ATOM 0 H HIS A 23 8.147 1.872 -7.983 1.00 0.00 H new ATOM 0 HA HIS A 23 10.150 0.196 -6.666 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.718 1.770 -9.043 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.104 2.480 -8.240 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.257 -1.421 -8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.121 -0.712 -10.081 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.407 -2.545 -9.563 1.00 0.00 H new ATOM 558 N MET A 24 10.122 3.432 -5.933 1.00 0.00 N ATOM 559 CA MET A 24 10.599 4.379 -4.869 1.00 0.00 C ATOM 560 C MET A 24 10.153 3.859 -3.499 1.00 0.00 C ATOM 561 O MET A 24 10.894 3.899 -2.533 1.00 0.00 O ATOM 562 CB MET A 24 9.954 5.747 -5.203 1.00 0.00 C ATOM 563 CG MET A 24 8.977 6.205 -4.098 1.00 0.00 C ATOM 564 SD MET A 24 8.552 7.944 -4.366 1.00 0.00 S ATOM 565 CE MET A 24 8.991 8.543 -2.715 1.00 0.00 C ATOM 0 H MET A 24 9.562 3.855 -6.673 1.00 0.00 H new ATOM 0 HA MET A 24 11.685 4.471 -4.838 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.736 6.496 -5.331 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.422 5.676 -6.152 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.076 5.591 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.433 6.076 -3.116 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.804 9.615 -2.655 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.387 8.028 -1.968 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.046 8.347 -2.526 1.00 0.00 H new ATOM 575 N LEU A 25 8.950 3.359 -3.420 1.00 0.00 N ATOM 576 CA LEU A 25 8.438 2.825 -2.129 1.00 0.00 C ATOM 577 C LEU A 25 9.205 1.561 -1.721 1.00 0.00 C ATOM 578 O LEU A 25 9.712 1.466 -0.627 1.00 0.00 O ATOM 579 CB LEU A 25 6.971 2.506 -2.397 1.00 0.00 C ATOM 580 CG LEU A 25 6.147 2.675 -1.121 1.00 0.00 C ATOM 581 CD1 LEU A 25 5.045 1.637 -1.124 1.00 0.00 C ATOM 582 CD2 LEU A 25 7.006 2.451 0.121 1.00 0.00 C ATOM 0 H LEU A 25 8.296 3.298 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 25 8.562 3.535 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.586 3.164 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.876 1.485 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 25 5.745 3.688 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.445 1.741 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.411 1.782 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.484 0.640 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.394 2.578 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.416 1.441 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.822 3.174 0.135 1.00 0.00 H new ATOM 594 N MET A 26 9.305 0.592 -2.589 1.00 0.00 N ATOM 595 CA MET A 26 10.061 -0.646 -2.227 1.00 0.00 C ATOM 596 C MET A 26 11.525 -0.285 -1.921 1.00 0.00 C ATOM 597 O MET A 26 12.153 -0.874 -1.059 1.00 0.00 O ATOM 598 CB MET A 26 9.960 -1.540 -3.469 1.00 0.00 C ATOM 599 CG MET A 26 10.856 -2.771 -3.307 1.00 0.00 C ATOM 600 SD MET A 26 12.466 -2.452 -4.076 1.00 0.00 S ATOM 601 CE MET A 26 12.014 -2.918 -5.766 1.00 0.00 C ATOM 0 H MET A 26 8.901 0.600 -3.526 1.00 0.00 H new ATOM 0 HA MET A 26 9.666 -1.144 -1.341 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.926 -1.851 -3.620 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.257 -0.979 -4.355 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.986 -3.003 -2.250 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.386 -3.639 -3.769 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.877 -2.795 -6.420 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.692 -3.959 -5.782 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.201 -2.281 -6.114 1.00 0.00 H new ATOM 611 N ARG A 27 12.063 0.681 -2.627 1.00 0.00 N ATOM 612 CA ARG A 27 13.484 1.095 -2.402 1.00 0.00 C ATOM 613 C ARG A 27 13.643 1.985 -1.157 1.00 0.00 C ATOM 614 O ARG A 27 14.751 2.177 -0.698 1.00 0.00 O ATOM 615 CB ARG A 27 13.885 1.865 -3.670 1.00 0.00 C ATOM 616 CG ARG A 27 13.617 3.369 -3.484 1.00 0.00 C ATOM 617 CD ARG A 27 14.909 4.084 -3.060 1.00 0.00 C ATOM 618 NE ARG A 27 14.459 5.181 -2.147 1.00 0.00 N ATOM 619 CZ ARG A 27 15.322 5.993 -1.608 1.00 0.00 C ATOM 620 NH1 ARG A 27 16.148 5.563 -0.704 1.00 0.00 N ATOM 621 NH2 ARG A 27 15.351 7.234 -1.975 1.00 0.00 N ATOM 0 H ARG A 27 11.575 1.204 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 27 14.117 0.226 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.941 1.700 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.322 1.491 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.242 3.798 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.844 3.519 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.590 3.401 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.442 4.482 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 27 13.466 5.294 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.122 4.586 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.823 6.202 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.700 7.572 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.025 7.874 -1.556 1.00 0.00 H new ATOM 635 N VAL A 28 12.569 2.573 -0.649 1.00 0.00 N ATOM 636 CA VAL A 28 12.683 3.495 0.549 1.00 0.00 C ATOM 637 C VAL A 28 13.866 3.141 1.471 1.00 0.00 C ATOM 638 O VAL A 28 14.153 1.984 1.726 1.00 0.00 O ATOM 639 CB VAL A 28 11.367 3.371 1.310 1.00 0.00 C ATOM 640 CG1 VAL A 28 10.243 3.908 0.430 1.00 0.00 C ATOM 641 CG2 VAL A 28 11.100 1.904 1.666 1.00 0.00 C ATOM 0 H VAL A 28 11.622 2.455 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 28 12.872 4.513 0.209 1.00 0.00 H new ATOM 0 HB VAL A 28 11.420 3.945 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.295 3.826 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.436 4.954 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.194 3.328 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.158 1.827 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.041 1.313 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.910 1.528 2.290 1.00 0.00 H new ATOM 651 N PRO A 29 14.518 4.181 1.926 1.00 0.00 N ATOM 652 CA PRO A 29 15.719 4.042 2.804 1.00 0.00 C ATOM 653 C PRO A 29 15.419 3.329 4.135 1.00 0.00 C ATOM 654 O PRO A 29 15.981 2.288 4.421 1.00 0.00 O ATOM 655 CB PRO A 29 16.154 5.497 3.021 1.00 0.00 C ATOM 656 CG PRO A 29 14.915 6.302 2.777 1.00 0.00 C ATOM 657 CD PRO A 29 14.181 5.590 1.687 1.00 0.00 C ATOM 0 HA PRO A 29 16.490 3.418 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.534 5.651 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.952 5.779 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.307 6.370 3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.162 7.322 2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.106 5.763 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.505 5.920 0.700 1.00 0.00 H new ATOM 665 N ARG A 30 14.566 3.878 4.960 1.00 0.00 N ATOM 666 CA ARG A 30 14.276 3.222 6.276 1.00 0.00 C ATOM 667 C ARG A 30 13.121 2.222 6.165 1.00 0.00 C ATOM 668 O ARG A 30 12.452 2.127 5.150 1.00 0.00 O ATOM 669 CB ARG A 30 13.897 4.366 7.220 1.00 0.00 C ATOM 670 CG ARG A 30 15.072 5.333 7.351 1.00 0.00 C ATOM 671 CD ARG A 30 15.611 5.303 8.784 1.00 0.00 C ATOM 672 NE ARG A 30 16.839 6.148 8.740 1.00 0.00 N ATOM 673 CZ ARG A 30 16.748 7.439 8.692 1.00 0.00 C ATOM 674 NH1 ARG A 30 16.615 8.126 9.781 1.00 0.00 N ATOM 675 NH2 ARG A 30 16.796 8.034 7.550 1.00 0.00 N ATOM 0 H ARG A 30 14.059 4.746 4.784 1.00 0.00 H new ATOM 0 HA ARG A 30 15.137 2.655 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 30 13.022 4.891 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 30 13.629 3.969 8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.861 5.059 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.754 6.343 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.882 5.699 9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.841 4.285 9.100 1.00 0.00 H new ATOM 0 HE ARG A 30 17.758 5.706 8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.581 7.651 10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.544 9.143 9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.905 7.489 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.725 9.050 7.501 1.00 0.00 H new ATOM 689 N ASP A 31 12.878 1.474 7.213 1.00 0.00 N ATOM 690 CA ASP A 31 11.764 0.484 7.182 1.00 0.00 C ATOM 691 C ASP A 31 10.411 1.211 7.222 1.00 0.00 C ATOM 692 O ASP A 31 10.334 2.396 7.532 1.00 0.00 O ATOM 693 CB ASP A 31 11.970 -0.398 8.416 1.00 0.00 C ATOM 694 CG ASP A 31 11.235 -1.721 8.219 1.00 0.00 C ATOM 695 OD1 ASP A 31 11.535 -2.404 7.251 1.00 0.00 O ATOM 696 OD2 ASP A 31 10.376 -2.023 9.027 1.00 0.00 O ATOM 0 H ASP A 31 13.404 1.508 8.086 1.00 0.00 H new ATOM 0 HA ASP A 31 11.763 -0.115 6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.033 -0.579 8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.597 0.109 9.306 1.00 0.00 H new ATOM 701 N GLY A 32 9.353 0.520 6.879 1.00 0.00 N ATOM 702 CA GLY A 32 7.999 1.160 6.848 1.00 0.00 C ATOM 703 C GLY A 32 7.720 1.568 5.402 1.00 0.00 C ATOM 704 O GLY A 32 7.925 0.792 4.501 1.00 0.00 O ATOM 0 H GLY A 32 9.368 -0.466 6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.238 0.466 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.970 2.030 7.505 1.00 0.00 H new ATOM 708 N ALA A 33 7.291 2.789 5.172 1.00 0.00 N ATOM 709 CA ALA A 33 7.036 3.269 3.766 1.00 0.00 C ATOM 710 C ALA A 33 5.817 2.576 3.119 1.00 0.00 C ATOM 711 O ALA A 33 5.754 1.362 3.011 1.00 0.00 O ATOM 712 CB ALA A 33 8.319 2.931 3.000 1.00 0.00 C ATOM 0 H ALA A 33 7.105 3.479 5.899 1.00 0.00 H new ATOM 0 HA ALA A 33 6.802 4.333 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.218 3.249 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.163 3.448 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.491 1.855 3.035 1.00 0.00 H new ATOM 718 N PHE A 34 4.854 3.356 2.673 1.00 0.00 N ATOM 719 CA PHE A 34 3.626 2.777 2.016 1.00 0.00 C ATOM 720 C PHE A 34 3.164 3.706 0.878 1.00 0.00 C ATOM 721 O PHE A 34 3.356 4.907 0.942 1.00 0.00 O ATOM 722 CB PHE A 34 2.548 2.690 3.121 1.00 0.00 C ATOM 723 CG PHE A 34 3.199 2.665 4.490 1.00 0.00 C ATOM 724 CD1 PHE A 34 3.745 1.477 4.987 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.278 3.839 5.243 1.00 0.00 C ATOM 726 CE1 PHE A 34 4.368 1.465 6.239 1.00 0.00 C ATOM 727 CE2 PHE A 34 3.901 3.828 6.492 1.00 0.00 C ATOM 728 CZ PHE A 34 4.448 2.641 6.992 1.00 0.00 C ATOM 0 H PHE A 34 4.864 4.374 2.735 1.00 0.00 H new ATOM 0 HA PHE A 34 3.819 1.796 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.872 3.542 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.945 1.793 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.686 0.570 4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.857 4.756 4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.787 0.547 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.961 4.736 7.073 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.931 2.633 7.958 1.00 0.00 H new ATOM 738 N LEU A 35 2.573 3.164 -0.167 1.00 0.00 N ATOM 739 CA LEU A 35 2.121 4.035 -1.304 1.00 0.00 C ATOM 740 C LEU A 35 1.308 3.237 -2.344 1.00 0.00 C ATOM 741 O LEU A 35 1.688 2.153 -2.745 1.00 0.00 O ATOM 742 CB LEU A 35 3.423 4.560 -1.925 1.00 0.00 C ATOM 743 CG LEU A 35 3.109 5.541 -3.057 1.00 0.00 C ATOM 744 CD1 LEU A 35 2.471 6.805 -2.480 1.00 0.00 C ATOM 745 CD2 LEU A 35 4.408 5.918 -3.777 1.00 0.00 C ATOM 0 H LEU A 35 2.386 2.168 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 35 1.463 4.834 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.025 5.054 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.013 3.728 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 35 2.419 5.073 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.249 7.502 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.548 6.543 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.161 7.273 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.187 6.617 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.094 6.385 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.869 5.021 -4.190 1.00 0.00 H new ATOM 757 N VAL A 36 0.197 3.785 -2.790 1.00 0.00 N ATOM 758 CA VAL A 36 -0.652 3.088 -3.823 1.00 0.00 C ATOM 759 C VAL A 36 -0.473 3.790 -5.194 1.00 0.00 C ATOM 760 O VAL A 36 -0.581 5.000 -5.297 1.00 0.00 O ATOM 761 CB VAL A 36 -2.101 3.196 -3.297 1.00 0.00 C ATOM 762 CG1 VAL A 36 -2.216 2.491 -1.937 1.00 0.00 C ATOM 763 CG2 VAL A 36 -2.492 4.666 -3.117 1.00 0.00 C ATOM 0 H VAL A 36 -0.161 4.689 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.377 2.044 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.765 2.725 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.240 2.571 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.951 1.440 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.539 2.962 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.515 4.728 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.818 5.137 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.422 5.181 -4.075 1.00 0.00 H new ATOM 773 N ARG A 37 -0.159 3.047 -6.241 1.00 0.00 N ATOM 774 CA ARG A 37 0.087 3.688 -7.587 1.00 0.00 C ATOM 775 C ARG A 37 -0.796 3.090 -8.711 1.00 0.00 C ATOM 776 O ARG A 37 -1.392 2.039 -8.568 1.00 0.00 O ATOM 777 CB ARG A 37 1.586 3.459 -7.834 1.00 0.00 C ATOM 778 CG ARG A 37 1.884 3.217 -9.315 1.00 0.00 C ATOM 779 CD ARG A 37 1.694 1.733 -9.631 1.00 0.00 C ATOM 780 NE ARG A 37 2.947 1.336 -10.337 1.00 0.00 N ATOM 781 CZ ARG A 37 2.900 0.770 -11.501 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.091 1.216 -12.405 1.00 0.00 N ATOM 783 NH2 ARG A 37 3.663 -0.244 -11.756 1.00 0.00 N ATOM 0 H ARG A 37 -0.063 2.032 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.181 4.745 -7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.149 4.325 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.925 2.603 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.221 3.821 -9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.904 3.523 -9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.549 1.149 -8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.817 1.570 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 37 3.851 1.512 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.489 2.014 -12.202 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.054 0.770 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.300 -0.596 -11.041 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.628 -0.691 -12.672 1.00 0.00 H new ATOM 797 N LYS A 38 -0.894 3.788 -9.828 1.00 0.00 N ATOM 798 CA LYS A 38 -1.752 3.318 -10.963 1.00 0.00 C ATOM 799 C LYS A 38 -0.962 2.507 -12.003 1.00 0.00 C ATOM 800 O LYS A 38 0.211 2.741 -12.239 1.00 0.00 O ATOM 801 CB LYS A 38 -2.265 4.614 -11.598 1.00 0.00 C ATOM 802 CG LYS A 38 -3.554 4.346 -12.382 1.00 0.00 C ATOM 803 CD LYS A 38 -4.674 5.223 -11.818 1.00 0.00 C ATOM 804 CE LYS A 38 -5.418 5.919 -12.962 1.00 0.00 C ATOM 805 NZ LYS A 38 -5.966 7.173 -12.359 1.00 0.00 N ATOM 0 H LYS A 38 -0.410 4.670 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.542 2.654 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.450 5.358 -10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.506 5.027 -12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.403 4.563 -13.440 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.827 3.293 -12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.368 4.614 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.258 5.966 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.747 6.140 -13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.215 5.289 -13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.865 7.417 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.128 7.027 -11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.286 7.949 -12.493 1.00 0.00 H new ATOM 819 N ARG A 39 -1.623 1.575 -12.637 1.00 0.00 N ATOM 820 CA ARG A 39 -0.972 0.738 -13.696 1.00 0.00 C ATOM 821 C ARG A 39 -1.728 0.909 -15.028 1.00 0.00 C ATOM 822 O ARG A 39 -2.852 1.381 -15.057 1.00 0.00 O ATOM 823 CB ARG A 39 -1.061 -0.707 -13.197 1.00 0.00 C ATOM 824 CG ARG A 39 0.257 -1.430 -13.492 1.00 0.00 C ATOM 825 CD ARG A 39 0.122 -2.922 -13.170 1.00 0.00 C ATOM 826 NE ARG A 39 -0.190 -3.576 -14.482 1.00 0.00 N ATOM 827 CZ ARG A 39 -0.417 -4.850 -14.549 1.00 0.00 C ATOM 828 NH1 ARG A 39 -1.488 -5.345 -14.019 1.00 0.00 N ATOM 829 NH2 ARG A 39 0.414 -5.620 -15.177 1.00 0.00 N ATOM 0 H ARG A 39 -2.603 1.352 -12.465 1.00 0.00 H new ATOM 0 HA ARG A 39 0.064 1.027 -13.873 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.265 -0.722 -12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.888 -1.222 -13.686 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.526 -1.299 -14.540 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.061 -0.993 -12.900 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.042 -3.318 -12.741 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.671 -3.099 -12.443 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.224 -3.012 -15.331 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.154 -4.732 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.667 -6.348 -14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.244 -5.223 -15.617 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.238 -6.623 -15.232 1.00 0.00 H new ATOM 843 N ASN A 40 -1.115 0.549 -16.129 1.00 0.00 N ATOM 844 CA ASN A 40 -1.802 0.709 -17.461 1.00 0.00 C ATOM 845 C ASN A 40 -2.903 -0.348 -17.666 1.00 0.00 C ATOM 846 O ASN A 40 -3.775 -0.185 -18.499 1.00 0.00 O ATOM 847 CB ASN A 40 -0.720 0.518 -18.525 1.00 0.00 C ATOM 848 CG ASN A 40 0.572 1.228 -18.124 1.00 0.00 C ATOM 849 OD1 ASN A 40 0.646 2.441 -18.132 1.00 0.00 O ATOM 850 ND2 ASN A 40 1.609 0.523 -17.782 1.00 0.00 N ATOM 0 H ASN A 40 -0.176 0.154 -16.170 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.280 1.687 -17.520 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.526 -0.545 -18.665 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.072 0.907 -19.481 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.479 0.988 -17.522 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.553 -0.495 -17.773 1.00 0.00 H new ATOM 857 N GLU A 41 -2.851 -1.438 -16.945 1.00 0.00 N ATOM 858 CA GLU A 41 -3.872 -2.517 -17.133 1.00 0.00 C ATOM 859 C GLU A 41 -5.191 -2.152 -16.423 1.00 0.00 C ATOM 860 O GLU A 41 -5.183 -1.530 -15.377 1.00 0.00 O ATOM 861 CB GLU A 41 -3.241 -3.786 -16.501 1.00 0.00 C ATOM 862 CG GLU A 41 -2.066 -4.333 -17.354 1.00 0.00 C ATOM 863 CD GLU A 41 -1.081 -3.216 -17.731 1.00 0.00 C ATOM 864 OE1 GLU A 41 -0.440 -2.683 -16.833 1.00 0.00 O ATOM 865 OE2 GLU A 41 -0.982 -2.911 -18.906 1.00 0.00 O ATOM 0 H GLU A 41 -2.146 -1.630 -16.233 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.119 -2.665 -18.184 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.884 -3.553 -15.498 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.004 -4.557 -16.397 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.542 -5.110 -16.798 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.457 -4.797 -18.260 1.00 0.00 H new ATOM 872 N PRO A 42 -6.291 -2.572 -17.012 1.00 0.00 N ATOM 873 CA PRO A 42 -7.632 -2.305 -16.413 1.00 0.00 C ATOM 874 C PRO A 42 -7.794 -3.182 -15.167 1.00 0.00 C ATOM 875 O PRO A 42 -7.234 -4.262 -15.106 1.00 0.00 O ATOM 876 CB PRO A 42 -8.605 -2.716 -17.518 1.00 0.00 C ATOM 877 CG PRO A 42 -7.851 -3.708 -18.344 1.00 0.00 C ATOM 878 CD PRO A 42 -6.394 -3.328 -18.268 1.00 0.00 C ATOM 0 HA PRO A 42 -7.790 -1.273 -16.099 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.512 -3.156 -17.103 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.912 -1.857 -18.114 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.006 -4.719 -17.969 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.200 -3.694 -19.377 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.751 -4.208 -18.258 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.094 -2.724 -19.124 1.00 0.00 H new ATOM 886 N ASN A 43 -8.513 -2.734 -14.156 1.00 0.00 N ATOM 887 CA ASN A 43 -8.634 -3.574 -12.918 1.00 0.00 C ATOM 888 C ASN A 43 -7.218 -3.947 -12.486 1.00 0.00 C ATOM 889 O ASN A 43 -6.848 -5.112 -12.451 1.00 0.00 O ATOM 890 CB ASN A 43 -9.391 -4.827 -13.360 1.00 0.00 C ATOM 891 CG ASN A 43 -9.915 -5.584 -12.138 1.00 0.00 C ATOM 892 OD1 ASN A 43 -9.336 -6.568 -11.722 1.00 0.00 O ATOM 893 ND2 ASN A 43 -10.991 -5.165 -11.538 1.00 0.00 N ATOM 0 H ASN A 43 -9.010 -1.843 -14.135 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.143 -3.074 -12.094 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.222 -4.549 -14.009 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.733 -5.472 -13.942 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.346 -5.662 -10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.479 -4.339 -11.885 1.00 0.00 H new ATOM 900 N SER A 44 -6.387 -2.976 -12.237 1.00 0.00 N ATOM 901 CA SER A 44 -4.985 -3.321 -11.908 1.00 0.00 C ATOM 902 C SER A 44 -4.223 -2.171 -11.235 1.00 0.00 C ATOM 903 O SER A 44 -3.186 -1.745 -11.705 1.00 0.00 O ATOM 904 CB SER A 44 -4.411 -3.661 -13.287 1.00 0.00 C ATOM 905 OG SER A 44 -2.988 -3.694 -13.231 1.00 0.00 O ATOM 0 H SER A 44 -6.613 -1.981 -12.247 1.00 0.00 H new ATOM 0 HA SER A 44 -4.905 -4.129 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.792 -4.626 -13.620 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.737 -2.921 -14.018 1.00 0.00 H new ATOM 0 HG SER A 44 -2.662 -2.911 -12.740 1.00 0.00 H new ATOM 911 N TYR A 45 -4.695 -1.704 -10.111 1.00 0.00 N ATOM 912 CA TYR A 45 -3.958 -0.634 -9.384 1.00 0.00 C ATOM 913 C TYR A 45 -2.876 -1.309 -8.529 1.00 0.00 C ATOM 914 O TYR A 45 -3.160 -2.226 -7.787 1.00 0.00 O ATOM 915 CB TYR A 45 -5.010 0.055 -8.514 1.00 0.00 C ATOM 916 CG TYR A 45 -4.531 1.440 -8.175 1.00 0.00 C ATOM 917 CD1 TYR A 45 -4.712 2.485 -9.087 1.00 0.00 C ATOM 918 CD2 TYR A 45 -3.893 1.677 -6.956 1.00 0.00 C ATOM 919 CE1 TYR A 45 -4.252 3.768 -8.779 1.00 0.00 C ATOM 920 CE2 TYR A 45 -3.430 2.959 -6.649 1.00 0.00 C ATOM 921 CZ TYR A 45 -3.609 4.008 -7.561 1.00 0.00 C ATOM 922 OH TYR A 45 -3.145 5.277 -7.267 1.00 0.00 O ATOM 0 H TYR A 45 -5.558 -2.017 -9.666 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.469 0.090 -10.036 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.962 0.104 -9.042 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.180 -0.519 -7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.207 2.300 -10.029 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.757 0.870 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.393 4.575 -9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.933 3.142 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.346 5.880 -8.013 1.00 0.00 H new ATOM 932 N ALA A 46 -1.643 -0.903 -8.641 1.00 0.00 N ATOM 933 CA ALA A 46 -0.576 -1.584 -7.843 1.00 0.00 C ATOM 934 C ALA A 46 -0.346 -0.876 -6.501 1.00 0.00 C ATOM 935 O ALA A 46 -0.363 0.339 -6.409 1.00 0.00 O ATOM 936 CB ALA A 46 0.673 -1.526 -8.729 1.00 0.00 C ATOM 0 H ALA A 46 -1.326 -0.141 -9.240 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.846 -2.609 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.506 -2.006 -8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.478 -2.045 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.925 -0.486 -8.935 1.00 0.00 H new ATOM 942 N ILE A 47 -0.119 -1.645 -5.461 1.00 0.00 N ATOM 943 CA ILE A 47 0.133 -1.050 -4.105 1.00 0.00 C ATOM 944 C ILE A 47 1.452 -1.575 -3.529 1.00 0.00 C ATOM 945 O ILE A 47 1.514 -2.657 -2.974 1.00 0.00 O ATOM 946 CB ILE A 47 -1.046 -1.445 -3.186 1.00 0.00 C ATOM 947 CG1 ILE A 47 -1.623 -2.827 -3.514 1.00 0.00 C ATOM 948 CG2 ILE A 47 -2.162 -0.429 -3.339 1.00 0.00 C ATOM 949 CD1 ILE A 47 -1.370 -3.750 -2.328 1.00 0.00 C ATOM 0 H ILE A 47 -0.097 -2.664 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 47 0.209 0.035 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.655 -1.472 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.692 -2.753 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.156 -3.229 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.995 -0.704 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.796 0.559 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.498 -0.411 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.774 -4.739 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.297 -3.828 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.857 -3.345 -1.441 1.00 0.00 H new ATOM 961 N SER A 48 2.503 -0.810 -3.661 1.00 0.00 N ATOM 962 CA SER A 48 3.834 -1.241 -3.131 1.00 0.00 C ATOM 963 C SER A 48 3.880 -1.082 -1.611 1.00 0.00 C ATOM 964 O SER A 48 3.202 -0.247 -1.039 1.00 0.00 O ATOM 965 CB SER A 48 4.857 -0.320 -3.805 1.00 0.00 C ATOM 966 OG SER A 48 6.177 -0.698 -3.411 1.00 0.00 O ATOM 0 H SER A 48 2.498 0.103 -4.117 1.00 0.00 H new ATOM 0 HA SER A 48 4.037 -2.291 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.759 -0.382 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.667 0.717 -3.527 1.00 0.00 H new ATOM 0 HG SER A 48 6.829 -0.291 -4.019 1.00 0.00 H new ATOM 972 N PHE A 49 4.667 -1.888 -0.955 1.00 0.00 N ATOM 973 CA PHE A 49 4.775 -1.797 0.529 1.00 0.00 C ATOM 974 C PHE A 49 6.159 -2.258 0.992 1.00 0.00 C ATOM 975 O PHE A 49 6.745 -3.156 0.410 1.00 0.00 O ATOM 976 CB PHE A 49 3.691 -2.728 1.054 1.00 0.00 C ATOM 977 CG PHE A 49 2.821 -1.989 2.036 1.00 0.00 C ATOM 978 CD1 PHE A 49 1.738 -1.235 1.572 1.00 0.00 C ATOM 979 CD2 PHE A 49 3.091 -2.060 3.407 1.00 0.00 C ATOM 980 CE1 PHE A 49 0.924 -0.552 2.477 1.00 0.00 C ATOM 981 CE2 PHE A 49 2.274 -1.374 4.314 1.00 0.00 C ATOM 982 CZ PHE A 49 1.192 -0.621 3.848 1.00 0.00 C ATOM 0 H PHE A 49 5.244 -2.611 -1.385 1.00 0.00 H new ATOM 0 HA PHE A 49 4.650 -0.777 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.087 -3.102 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.144 -3.595 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.532 -1.181 0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.927 -2.642 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.087 0.030 2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.480 -1.427 5.373 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.562 -0.092 4.548 1.00 0.00 H new ATOM 992 N ARG A 50 6.674 -1.678 2.042 1.00 0.00 N ATOM 993 CA ARG A 50 8.006 -2.117 2.551 1.00 0.00 C ATOM 994 C ARG A 50 7.889 -2.483 4.038 1.00 0.00 C ATOM 995 O ARG A 50 7.358 -1.742 4.840 1.00 0.00 O ATOM 996 CB ARG A 50 8.952 -0.930 2.320 1.00 0.00 C ATOM 997 CG ARG A 50 10.377 -1.322 2.719 1.00 0.00 C ATOM 998 CD ARG A 50 10.650 -0.875 4.155 1.00 0.00 C ATOM 999 NE ARG A 50 12.131 -0.696 4.225 1.00 0.00 N ATOM 1000 CZ ARG A 50 12.916 -1.731 4.186 1.00 0.00 C ATOM 1001 NH1 ARG A 50 12.937 -2.568 5.176 1.00 0.00 N ATOM 1002 NH2 ARG A 50 13.669 -1.930 3.150 1.00 0.00 N ATOM 0 H ARG A 50 6.233 -0.923 2.567 1.00 0.00 H new ATOM 0 HA ARG A 50 8.383 -3.004 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.927 -0.631 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.623 -0.071 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.506 -2.401 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.095 -0.860 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.128 0.054 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.307 -1.620 4.873 1.00 0.00 H new ATOM 0 HE ARG A 50 12.527 0.241 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.337 -2.414 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.553 -3.380 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.644 -1.275 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.286 -2.741 3.116 1.00 0.00 H new ATOM 1016 N ALA A 51 8.363 -3.635 4.404 1.00 0.00 N ATOM 1017 CA ALA A 51 8.271 -4.070 5.829 1.00 0.00 C ATOM 1018 C ALA A 51 9.551 -4.808 6.225 1.00 0.00 C ATOM 1019 O ALA A 51 10.358 -5.157 5.378 1.00 0.00 O ATOM 1020 CB ALA A 51 7.052 -4.997 5.878 1.00 0.00 C ATOM 0 H ALA A 51 8.814 -4.302 3.777 1.00 0.00 H new ATOM 0 HA ALA A 51 8.163 -3.237 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.913 -5.362 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.164 -4.447 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.210 -5.842 5.208 1.00 0.00 H new ATOM 1026 N GLU A 52 9.760 -5.040 7.494 1.00 0.00 N ATOM 1027 CA GLU A 52 11.009 -5.746 7.912 1.00 0.00 C ATOM 1028 C GLU A 52 11.054 -7.137 7.258 1.00 0.00 C ATOM 1029 O GLU A 52 10.363 -8.056 7.653 1.00 0.00 O ATOM 1030 CB GLU A 52 10.948 -5.841 9.450 1.00 0.00 C ATOM 1031 CG GLU A 52 9.571 -6.361 9.920 1.00 0.00 C ATOM 1032 CD GLU A 52 9.697 -7.135 11.241 1.00 0.00 C ATOM 1033 OE1 GLU A 52 10.801 -7.253 11.759 1.00 0.00 O ATOM 1034 OE2 GLU A 52 8.672 -7.585 11.731 1.00 0.00 O ATOM 0 H GLU A 52 9.130 -4.776 8.251 1.00 0.00 H new ATOM 0 HA GLU A 52 11.911 -5.220 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.733 -6.507 9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.138 -4.860 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.886 -5.523 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.142 -7.008 9.155 1.00 0.00 H new ATOM 1041 N GLY A 53 11.857 -7.275 6.230 1.00 0.00 N ATOM 1042 CA GLY A 53 11.960 -8.579 5.505 1.00 0.00 C ATOM 1043 C GLY A 53 10.628 -8.912 4.811 1.00 0.00 C ATOM 1044 O GLY A 53 10.262 -10.066 4.701 1.00 0.00 O ATOM 0 H GLY A 53 12.450 -6.532 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.760 -8.530 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.221 -9.372 6.205 1.00 0.00 H new ATOM 1048 N LYS A 54 9.888 -7.927 4.347 1.00 0.00 N ATOM 1049 CA LYS A 54 8.580 -8.244 3.684 1.00 0.00 C ATOM 1050 C LYS A 54 8.186 -7.190 2.629 1.00 0.00 C ATOM 1051 O LYS A 54 7.346 -6.336 2.865 1.00 0.00 O ATOM 1052 CB LYS A 54 7.569 -8.266 4.833 1.00 0.00 C ATOM 1053 CG LYS A 54 6.673 -9.498 4.699 1.00 0.00 C ATOM 1054 CD LYS A 54 5.409 -9.296 5.541 1.00 0.00 C ATOM 1055 CE LYS A 54 4.165 -9.535 4.683 1.00 0.00 C ATOM 1056 NZ LYS A 54 3.132 -8.631 5.259 1.00 0.00 N ATOM 0 H LYS A 54 10.128 -6.937 4.397 1.00 0.00 H new ATOM 0 HA LYS A 54 8.627 -9.187 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.090 -8.284 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.964 -7.359 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.407 -9.657 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.207 -10.389 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.413 -9.981 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.391 -8.285 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.355 -9.302 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.848 -10.577 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.266 -8.683 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.919 -8.924 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.488 -7.654 5.261 1.00 0.00 H new ATOM 1070 N ILE A 55 8.764 -7.264 1.457 1.00 0.00 N ATOM 1071 CA ILE A 55 8.408 -6.292 0.374 1.00 0.00 C ATOM 1072 C ILE A 55 7.711 -7.035 -0.777 1.00 0.00 C ATOM 1073 O ILE A 55 8.292 -7.899 -1.406 1.00 0.00 O ATOM 1074 CB ILE A 55 9.742 -5.692 -0.072 1.00 0.00 C ATOM 1075 CG1 ILE A 55 10.091 -4.546 0.868 1.00 0.00 C ATOM 1076 CG2 ILE A 55 9.646 -5.143 -1.503 1.00 0.00 C ATOM 1077 CD1 ILE A 55 11.552 -4.181 0.675 1.00 0.00 C ATOM 0 H ILE A 55 9.468 -7.956 1.201 1.00 0.00 H new ATOM 0 HA ILE A 55 7.719 -5.516 0.707 1.00 0.00 H new ATOM 0 HB ILE A 55 10.506 -6.469 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.457 -3.684 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.908 -4.838 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.608 -4.722 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.380 -5.950 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.882 -4.367 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.813 -3.361 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.176 -5.046 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.717 -3.874 -0.358 1.00 0.00 H new ATOM 1089 N LYS A 56 6.471 -6.710 -1.057 1.00 0.00 N ATOM 1090 CA LYS A 56 5.743 -7.408 -2.169 1.00 0.00 C ATOM 1091 C LYS A 56 4.460 -6.648 -2.553 1.00 0.00 C ATOM 1092 O LYS A 56 3.737 -6.156 -1.702 1.00 0.00 O ATOM 1093 CB LYS A 56 5.409 -8.803 -1.619 1.00 0.00 C ATOM 1094 CG LYS A 56 4.430 -8.689 -0.442 1.00 0.00 C ATOM 1095 CD LYS A 56 3.001 -8.964 -0.930 1.00 0.00 C ATOM 1096 CE LYS A 56 2.011 -8.074 -0.167 1.00 0.00 C ATOM 1097 NZ LYS A 56 2.060 -8.560 1.245 1.00 0.00 N ATOM 0 H LYS A 56 5.932 -5.995 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 56 6.346 -7.462 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.972 -9.417 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.322 -9.302 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.701 -9.399 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.489 -7.693 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.929 -8.770 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.751 -10.014 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.294 -7.023 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.005 -8.160 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.098 -8.581 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.464 -9.518 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.652 -7.920 1.812 1.00 0.00 H new ATOM 1111 N HIS A 57 4.179 -6.545 -3.829 1.00 0.00 N ATOM 1112 CA HIS A 57 2.947 -5.819 -4.277 1.00 0.00 C ATOM 1113 C HIS A 57 2.550 -6.232 -5.698 1.00 0.00 C ATOM 1114 O HIS A 57 3.365 -6.684 -6.481 1.00 0.00 O ATOM 1115 CB HIS A 57 3.296 -4.328 -4.215 1.00 0.00 C ATOM 1116 CG HIS A 57 4.717 -4.097 -4.667 1.00 0.00 C ATOM 1117 ND1 HIS A 57 5.783 -4.111 -3.784 1.00 0.00 N ATOM 1118 CD2 HIS A 57 5.260 -3.860 -5.903 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.904 -3.891 -4.495 1.00 0.00 C ATOM 1120 NE2 HIS A 57 6.641 -3.730 -5.793 1.00 0.00 N ATOM 0 H HIS A 57 4.749 -6.932 -4.581 1.00 0.00 H new ATOM 0 HA HIS A 57 2.093 -6.055 -3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.611 -3.762 -4.846 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.168 -3.961 -3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.700 -3.785 -6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.895 -3.850 -4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.308 -3.550 -6.543 1.00 0.00 H new ATOM 1128 N CYS A 58 1.299 -6.065 -6.031 1.00 0.00 N ATOM 1129 CA CYS A 58 0.820 -6.426 -7.397 1.00 0.00 C ATOM 1130 C CYS A 58 -0.376 -5.535 -7.774 1.00 0.00 C ATOM 1131 O CYS A 58 -0.665 -4.565 -7.096 1.00 0.00 O ATOM 1132 CB CYS A 58 0.422 -7.904 -7.314 1.00 0.00 C ATOM 1133 SG CYS A 58 1.800 -8.941 -7.869 1.00 0.00 S ATOM 0 H CYS A 58 0.582 -5.691 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 58 1.579 -6.274 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.151 -8.160 -6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.457 -8.089 -7.932 1.00 0.00 H new ATOM 0 HG CYS A 58 2.925 -8.398 -7.508 1.00 0.00 H new ATOM 1139 N ARG A 59 -1.056 -5.837 -8.850 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.210 -4.985 -9.279 1.00 0.00 C ATOM 1141 C ARG A 59 -3.512 -5.397 -8.572 1.00 0.00 C ATOM 1142 O ARG A 59 -3.955 -6.523 -8.661 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.283 -5.185 -10.810 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.595 -5.868 -11.241 1.00 0.00 C ATOM 1145 CD ARG A 59 -3.417 -7.381 -11.256 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.419 -7.875 -12.250 1.00 0.00 N ATOM 1147 CZ ARG A 59 -5.596 -8.266 -11.860 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -5.740 -9.423 -11.308 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -6.624 -7.488 -12.000 1.00 0.00 N ATOM 0 H ARG A 59 -0.863 -6.637 -9.452 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.076 -3.936 -9.014 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.197 -4.218 -11.306 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.436 -5.788 -11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.398 -5.595 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.888 -5.519 -12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.403 -7.657 -11.546 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.594 -7.810 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.177 -7.905 -13.241 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.931 -10.030 -11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.663 -9.731 -11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.511 -6.564 -12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.545 -7.800 -11.692 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.137 -4.481 -7.886 1.00 0.00 N ATOM 1164 CA VAL A 60 -5.422 -4.802 -7.193 1.00 0.00 C ATOM 1165 C VAL A 60 -6.554 -4.861 -8.228 1.00 0.00 C ATOM 1166 O VAL A 60 -6.469 -4.264 -9.288 1.00 0.00 O ATOM 1167 CB VAL A 60 -5.629 -3.653 -6.181 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -6.955 -2.928 -6.437 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -5.646 -4.218 -4.761 1.00 0.00 C ATOM 0 H VAL A 60 -3.814 -3.520 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.410 -5.767 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.809 -2.945 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.076 -2.124 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.953 -2.511 -7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.780 -3.633 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.792 -3.406 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.460 -4.936 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.698 -4.715 -4.556 1.00 0.00 H new ATOM 1179 N GLN A 61 -7.618 -5.548 -7.924 1.00 0.00 N ATOM 1180 CA GLN A 61 -8.754 -5.610 -8.882 1.00 0.00 C ATOM 1181 C GLN A 61 -9.767 -4.546 -8.478 1.00 0.00 C ATOM 1182 O GLN A 61 -10.413 -4.657 -7.457 1.00 0.00 O ATOM 1183 CB GLN A 61 -9.346 -7.015 -8.723 1.00 0.00 C ATOM 1184 CG GLN A 61 -8.265 -8.065 -8.997 1.00 0.00 C ATOM 1185 CD GLN A 61 -8.808 -9.139 -9.940 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -8.187 -9.454 -10.936 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -9.941 -9.722 -9.672 1.00 0.00 N ATOM 0 H GLN A 61 -7.750 -6.068 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.461 -5.430 -9.916 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.742 -7.141 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.180 -7.149 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.389 -7.590 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.943 -8.520 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.464 -9.460 -8.837 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.305 -10.441 -10.297 1.00 0.00 H new ATOM 1196 N GLN A 62 -9.897 -3.505 -9.246 1.00 0.00 N ATOM 1197 CA GLN A 62 -10.856 -2.429 -8.863 1.00 0.00 C ATOM 1198 C GLN A 62 -12.158 -2.527 -9.665 1.00 0.00 C ATOM 1199 O GLN A 62 -12.159 -2.579 -10.882 1.00 0.00 O ATOM 1200 CB GLN A 62 -10.114 -1.109 -9.133 1.00 0.00 C ATOM 1201 CG GLN A 62 -10.106 -0.791 -10.633 1.00 0.00 C ATOM 1202 CD GLN A 62 -8.759 -0.181 -11.024 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -7.858 -0.879 -11.436 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -8.578 1.101 -10.912 1.00 0.00 N ATOM 0 H GLN A 62 -9.387 -3.350 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.157 -2.508 -7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.594 -0.297 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.090 -1.179 -8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.285 -1.699 -11.208 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.913 -0.098 -10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.332 1.694 -10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.682 1.514 -11.170 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.268 -2.539 -8.974 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.592 -2.610 -9.660 1.00 0.00 C ATOM 1215 C GLU A 63 -15.473 -1.484 -9.118 1.00 0.00 C ATOM 1216 O GLU A 63 -15.384 -1.137 -7.949 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.159 -3.991 -9.290 1.00 0.00 C ATOM 1218 CG GLU A 63 -16.656 -4.073 -9.641 1.00 0.00 C ATOM 1219 CD GLU A 63 -16.858 -3.962 -11.160 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -16.831 -2.850 -11.666 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -17.045 -4.990 -11.789 1.00 0.00 O ATOM 0 H GLU A 63 -13.314 -2.502 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.533 -2.493 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.612 -4.769 -9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.019 -4.174 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.069 -5.015 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.198 -3.273 -9.136 1.00 0.00 H new ATOM 1228 N GLY A 64 -16.325 -0.907 -9.931 1.00 0.00 N ATOM 1229 CA GLY A 64 -17.196 0.184 -9.408 1.00 0.00 C ATOM 1230 C GLY A 64 -18.231 -0.457 -8.496 1.00 0.00 C ATOM 1231 O GLY A 64 -19.343 -0.736 -8.902 1.00 0.00 O ATOM 0 H GLY A 64 -16.452 -1.141 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.605 0.918 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.682 0.713 -10.228 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.836 -0.681 -7.264 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.700 -1.322 -6.221 1.00 0.00 C ATOM 1237 C GLN A 65 -17.797 -2.051 -5.228 1.00 0.00 C ATOM 1238 O GLN A 65 -18.112 -2.150 -4.055 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.600 -2.358 -6.913 1.00 0.00 C ATOM 1240 CG GLN A 65 -21.060 -1.900 -6.831 1.00 0.00 C ATOM 1241 CD GLN A 65 -21.849 -2.490 -7.996 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -22.756 -3.268 -7.797 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -21.542 -2.152 -9.212 1.00 0.00 N ATOM 0 H GLN A 65 -16.906 -0.433 -6.926 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.303 -0.573 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -19.302 -2.476 -7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.485 -3.332 -6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.498 -2.217 -5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.112 -0.812 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.779 -1.497 -9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -22.064 -2.541 -9.997 1.00 0.00 H new ATOM 1252 N THR A 66 -16.678 -2.592 -5.683 1.00 0.00 N ATOM 1253 CA THR A 66 -15.790 -3.336 -4.740 1.00 0.00 C ATOM 1254 C THR A 66 -14.381 -3.577 -5.327 1.00 0.00 C ATOM 1255 O THR A 66 -14.179 -4.466 -6.130 1.00 0.00 O ATOM 1256 CB THR A 66 -16.516 -4.684 -4.518 1.00 0.00 C ATOM 1257 OG1 THR A 66 -17.642 -4.513 -3.656 1.00 0.00 O ATOM 1258 CG2 THR A 66 -15.572 -5.699 -3.875 1.00 0.00 C ATOM 0 H THR A 66 -16.354 -2.547 -6.649 1.00 0.00 H new ATOM 0 HA THR A 66 -15.629 -2.775 -3.820 1.00 0.00 H new ATOM 0 HB THR A 66 -16.846 -5.045 -5.492 1.00 0.00 H new ATOM 0 HG1 THR A 66 -17.720 -3.570 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.098 -6.642 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.714 -5.862 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.229 -5.318 -2.913 1.00 0.00 H new ATOM 1266 N VAL A 67 -13.400 -2.820 -4.897 1.00 0.00 N ATOM 1267 CA VAL A 67 -11.995 -3.044 -5.382 1.00 0.00 C ATOM 1268 C VAL A 67 -11.355 -4.120 -4.497 1.00 0.00 C ATOM 1269 O VAL A 67 -11.638 -4.206 -3.317 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.278 -1.704 -5.218 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -9.836 -1.818 -5.719 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -12.017 -0.636 -6.029 1.00 0.00 C ATOM 0 H VAL A 67 -13.509 -2.055 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.945 -3.377 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.267 -1.427 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.332 -0.859 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.310 -2.579 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.838 -2.097 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.510 0.322 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.026 -0.920 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.042 -0.549 -5.668 1.00 0.00 H new ATOM 1282 N MET A 68 -10.540 -4.980 -5.045 1.00 0.00 N ATOM 1283 CA MET A 68 -9.985 -6.067 -4.193 1.00 0.00 C ATOM 1284 C MET A 68 -8.594 -6.565 -4.624 1.00 0.00 C ATOM 1285 O MET A 68 -8.245 -6.610 -5.789 1.00 0.00 O ATOM 1286 CB MET A 68 -11.046 -7.163 -4.372 1.00 0.00 C ATOM 1287 CG MET A 68 -10.449 -8.562 -4.204 1.00 0.00 C ATOM 1288 SD MET A 68 -10.299 -9.344 -5.831 1.00 0.00 S ATOM 1289 CE MET A 68 -10.963 -10.966 -5.379 1.00 0.00 C ATOM 0 H MET A 68 -10.241 -4.979 -6.020 1.00 0.00 H new ATOM 0 HA MET A 68 -9.816 -5.742 -3.166 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.845 -7.018 -3.644 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.496 -7.076 -5.361 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.471 -8.498 -3.726 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.083 -9.165 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.152 -11.693 -5.340 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.442 -10.904 -4.402 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.696 -11.279 -6.123 1.00 0.00 H new ATOM 1299 N LEU A 69 -7.831 -6.987 -3.648 1.00 0.00 N ATOM 1300 CA LEU A 69 -6.467 -7.563 -3.895 1.00 0.00 C ATOM 1301 C LEU A 69 -6.614 -9.037 -4.315 1.00 0.00 C ATOM 1302 O LEU A 69 -7.710 -9.525 -4.511 1.00 0.00 O ATOM 1303 CB LEU A 69 -5.768 -7.519 -2.537 1.00 0.00 C ATOM 1304 CG LEU A 69 -5.781 -6.105 -1.969 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -6.357 -6.150 -0.556 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -4.353 -5.565 -1.926 1.00 0.00 C ATOM 0 H LEU A 69 -8.101 -6.957 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.924 -7.022 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.265 -8.199 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.740 -7.865 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.391 -5.454 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.372 -5.144 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.373 -6.544 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.738 -6.794 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.359 -4.553 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.740 -6.207 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.940 -5.549 -2.934 1.00 0.00 H new ATOM 1318 N GLY A 70 -5.532 -9.763 -4.433 1.00 0.00 N ATOM 1319 CA GLY A 70 -5.656 -11.200 -4.814 1.00 0.00 C ATOM 1320 C GLY A 70 -5.761 -12.030 -3.538 1.00 0.00 C ATOM 1321 O GLY A 70 -4.779 -12.548 -3.044 1.00 0.00 O ATOM 0 H GLY A 70 -4.580 -9.428 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.536 -11.352 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.792 -11.513 -5.400 1.00 0.00 H new ATOM 1325 N ASN A 71 -6.957 -12.158 -3.011 1.00 0.00 N ATOM 1326 CA ASN A 71 -7.180 -12.952 -1.753 1.00 0.00 C ATOM 1327 C ASN A 71 -8.646 -12.837 -1.294 1.00 0.00 C ATOM 1328 O ASN A 71 -9.256 -13.815 -0.899 1.00 0.00 O ATOM 1329 CB ASN A 71 -6.235 -12.353 -0.689 1.00 0.00 C ATOM 1330 CG ASN A 71 -6.636 -10.912 -0.345 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -7.019 -10.147 -1.206 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -6.561 -10.505 0.888 1.00 0.00 N ATOM 0 H ASN A 71 -7.801 -11.741 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.976 -14.010 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.261 -12.966 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.209 -12.371 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.823 -9.548 1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.240 -11.142 1.617 1.00 0.00 H new ATOM 1339 N SER A 72 -9.216 -11.653 -1.330 1.00 0.00 N ATOM 1340 CA SER A 72 -10.639 -11.484 -0.887 1.00 0.00 C ATOM 1341 C SER A 72 -11.188 -10.120 -1.325 1.00 0.00 C ATOM 1342 O SER A 72 -10.450 -9.165 -1.471 1.00 0.00 O ATOM 1343 CB SER A 72 -10.600 -11.593 0.639 1.00 0.00 C ATOM 1344 OG SER A 72 -10.714 -12.966 1.018 1.00 0.00 O ATOM 0 H SER A 72 -8.758 -10.798 -1.646 1.00 0.00 H new ATOM 0 HA SER A 72 -11.294 -12.234 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.669 -11.175 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.413 -11.014 1.077 1.00 0.00 H new ATOM 0 HG SER A 72 -10.194 -13.520 0.399 1.00 0.00 H new ATOM 1350 N GLU A 73 -12.477 -10.033 -1.551 1.00 0.00 N ATOM 1351 CA GLU A 73 -13.087 -8.739 -2.004 1.00 0.00 C ATOM 1352 C GLU A 73 -13.074 -7.684 -0.886 1.00 0.00 C ATOM 1353 O GLU A 73 -13.242 -7.993 0.279 1.00 0.00 O ATOM 1354 CB GLU A 73 -14.525 -9.089 -2.405 1.00 0.00 C ATOM 1355 CG GLU A 73 -14.589 -9.323 -3.923 1.00 0.00 C ATOM 1356 CD GLU A 73 -14.193 -10.766 -4.274 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -14.053 -11.576 -3.367 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -14.036 -11.035 -5.451 1.00 0.00 O ATOM 0 H GLU A 73 -13.136 -10.804 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.524 -8.304 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.855 -9.982 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.200 -8.282 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.597 -9.121 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.923 -8.625 -4.431 1.00 0.00 H new ATOM 1365 N PHE A 74 -12.873 -6.435 -1.240 1.00 0.00 N ATOM 1366 CA PHE A 74 -12.840 -5.347 -0.219 1.00 0.00 C ATOM 1367 C PHE A 74 -13.390 -4.059 -0.829 1.00 0.00 C ATOM 1368 O PHE A 74 -13.853 -4.045 -1.956 1.00 0.00 O ATOM 1369 CB PHE A 74 -11.349 -5.172 0.081 1.00 0.00 C ATOM 1370 CG PHE A 74 -11.125 -5.021 1.563 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -11.683 -5.940 2.461 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -10.353 -3.957 2.040 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -11.467 -5.794 3.837 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -10.138 -3.813 3.416 1.00 0.00 C ATOM 1375 CZ PHE A 74 -10.696 -4.729 4.313 1.00 0.00 C ATOM 0 H PHE A 74 -12.730 -6.125 -2.201 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.431 -5.575 0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.793 -6.033 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.967 -4.295 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.280 -6.761 2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.923 -3.248 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.895 -6.503 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.540 -2.993 3.785 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.531 -4.614 5.374 1.00 0.00 H new ATOM 1385 N ASP A 75 -13.295 -2.967 -0.133 1.00 0.00 N ATOM 1386 CA ASP A 75 -13.749 -1.692 -0.734 1.00 0.00 C ATOM 1387 C ASP A 75 -12.549 -1.091 -1.474 1.00 0.00 C ATOM 1388 O ASP A 75 -11.493 -1.696 -1.542 1.00 0.00 O ATOM 1389 CB ASP A 75 -14.208 -0.796 0.423 1.00 0.00 C ATOM 1390 CG ASP A 75 -15.238 0.220 -0.081 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -15.076 0.710 -1.192 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -16.168 0.495 0.652 1.00 0.00 O ATOM 0 H ASP A 75 -12.927 -2.902 0.816 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.572 -1.812 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.643 -1.405 1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.352 -0.276 0.854 1.00 0.00 H new ATOM 1397 N SER A 76 -12.702 0.065 -2.042 1.00 0.00 N ATOM 1398 CA SER A 76 -11.570 0.712 -2.792 1.00 0.00 C ATOM 1399 C SER A 76 -10.246 0.570 -2.036 1.00 0.00 C ATOM 1400 O SER A 76 -10.217 0.395 -0.832 1.00 0.00 O ATOM 1401 CB SER A 76 -11.951 2.189 -2.920 1.00 0.00 C ATOM 1402 OG SER A 76 -10.831 2.921 -3.416 1.00 0.00 O ATOM 0 H SER A 76 -13.567 0.605 -2.025 1.00 0.00 H new ATOM 0 HA SER A 76 -11.424 0.240 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.801 2.301 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.258 2.583 -1.951 1.00 0.00 H new ATOM 0 HG SER A 76 -11.071 3.867 -3.501 1.00 0.00 H new ATOM 1408 N LEU A 77 -9.151 0.653 -2.749 1.00 0.00 N ATOM 1409 CA LEU A 77 -7.800 0.528 -2.114 1.00 0.00 C ATOM 1410 C LEU A 77 -7.746 1.244 -0.759 1.00 0.00 C ATOM 1411 O LEU A 77 -7.076 0.799 0.151 1.00 0.00 O ATOM 1412 CB LEU A 77 -6.849 1.166 -3.113 1.00 0.00 C ATOM 1413 CG LEU A 77 -6.485 0.119 -4.159 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -7.018 0.547 -5.525 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -4.972 -0.014 -4.213 1.00 0.00 C ATOM 0 H LEU A 77 -9.134 0.804 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.542 -0.510 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.317 2.029 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.953 1.527 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.930 -0.840 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.755 -0.204 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.102 0.647 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.577 1.504 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.699 -0.761 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.532 0.946 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.599 -0.323 -3.236 1.00 0.00 H new ATOM 1427 N VAL A 78 -8.465 2.330 -0.607 1.00 0.00 N ATOM 1428 CA VAL A 78 -8.473 3.050 0.702 1.00 0.00 C ATOM 1429 C VAL A 78 -8.850 2.083 1.833 1.00 0.00 C ATOM 1430 O VAL A 78 -8.339 2.161 2.913 1.00 0.00 O ATOM 1431 CB VAL A 78 -9.541 4.156 0.557 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -10.904 3.670 1.065 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -9.118 5.379 1.370 1.00 0.00 C ATOM 0 H VAL A 78 -9.046 2.748 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.495 3.465 0.947 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.629 4.413 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.639 4.467 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.219 2.801 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.824 3.396 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.871 6.161 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.021 5.102 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.160 5.747 1.002 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.751 1.179 1.580 1.00 0.00 N ATOM 1444 CA ASP A 79 -10.187 0.219 2.631 1.00 0.00 C ATOM 1445 C ASP A 79 -9.090 -0.802 2.928 1.00 0.00 C ATOM 1446 O ASP A 79 -8.666 -0.921 4.050 1.00 0.00 O ATOM 1447 CB ASP A 79 -11.444 -0.441 2.059 1.00 0.00 C ATOM 1448 CG ASP A 79 -12.097 -1.356 3.103 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -11.889 -1.135 4.288 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -12.802 -2.263 2.693 1.00 0.00 O ATOM 0 H ASP A 79 -10.211 1.062 0.677 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.391 0.708 3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.153 0.325 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.186 -1.019 1.172 1.00 0.00 H new ATOM 1455 N LEU A 80 -8.623 -1.535 1.949 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.540 -2.534 2.244 1.00 0.00 C ATOM 1457 C LEU A 80 -6.235 -1.811 2.623 1.00 0.00 C ATOM 1458 O LEU A 80 -5.599 -2.148 3.611 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.363 -3.459 1.012 1.00 0.00 C ATOM 1460 CG LEU A 80 -7.476 -2.707 -0.325 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -6.084 -2.498 -0.915 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -8.311 -3.530 -1.309 1.00 0.00 C ATOM 0 H LEU A 80 -8.933 -1.491 0.978 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.817 -3.151 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.390 -3.946 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.116 -4.246 1.045 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.953 -1.742 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.167 -1.965 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.479 -1.914 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.611 -3.466 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.390 -2.995 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.831 -4.494 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.308 -3.687 -0.897 1.00 0.00 H new ATOM 1474 N ILE A 81 -5.844 -0.800 1.888 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.599 -0.066 2.264 1.00 0.00 C ATOM 1476 C ILE A 81 -4.814 0.626 3.623 1.00 0.00 C ATOM 1477 O ILE A 81 -3.953 0.562 4.493 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.309 0.926 1.121 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -4.020 0.149 -0.171 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.085 1.768 1.472 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -2.946 -0.916 0.086 1.00 0.00 C ATOM 0 H ILE A 81 -6.325 -0.456 1.057 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.739 -0.725 2.386 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.175 1.572 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.933 -0.324 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.685 0.834 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.881 2.469 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.275 2.321 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.223 1.116 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.747 -1.462 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.030 -0.434 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.297 -1.610 0.850 1.00 0.00 H new ATOM 1493 N SER A 82 -5.965 1.236 3.863 1.00 0.00 N ATOM 1494 CA SER A 82 -6.176 1.838 5.217 1.00 0.00 C ATOM 1495 C SER A 82 -6.400 0.703 6.226 1.00 0.00 C ATOM 1496 O SER A 82 -6.094 0.837 7.389 1.00 0.00 O ATOM 1497 CB SER A 82 -7.377 2.788 5.161 1.00 0.00 C ATOM 1498 OG SER A 82 -8.581 2.071 5.406 1.00 0.00 O ATOM 0 H SER A 82 -6.735 1.337 3.202 1.00 0.00 H new ATOM 0 HA SER A 82 -5.305 2.414 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.259 3.579 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.424 3.270 4.184 1.00 0.00 H new ATOM 0 HG SER A 82 -8.919 1.701 4.564 1.00 0.00 H new ATOM 1504 N TYR A 83 -6.889 -0.439 5.781 1.00 0.00 N ATOM 1505 CA TYR A 83 -7.059 -1.588 6.719 1.00 0.00 C ATOM 1506 C TYR A 83 -5.686 -1.865 7.321 1.00 0.00 C ATOM 1507 O TYR A 83 -5.540 -1.970 8.519 1.00 0.00 O ATOM 1508 CB TYR A 83 -7.552 -2.767 5.868 1.00 0.00 C ATOM 1509 CG TYR A 83 -7.546 -4.029 6.696 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -8.652 -4.354 7.488 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -6.430 -4.874 6.672 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -8.643 -5.523 8.256 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -6.422 -6.042 7.441 1.00 0.00 C ATOM 1514 CZ TYR A 83 -7.528 -6.366 8.232 1.00 0.00 C ATOM 1515 OH TYR A 83 -7.517 -7.515 8.994 1.00 0.00 O ATOM 0 H TYR A 83 -7.173 -0.617 4.818 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.769 -1.404 7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -8.558 -2.567 5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.912 -2.890 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.513 -3.702 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.576 -4.624 6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.497 -5.774 8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.561 -6.694 7.424 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.669 -7.987 8.861 1.00 0.00 H new ATOM 1525 N TYR A 84 -4.663 -1.906 6.494 1.00 0.00 N ATOM 1526 CA TYR A 84 -3.285 -2.086 7.041 1.00 0.00 C ATOM 1527 C TYR A 84 -2.962 -0.857 7.903 1.00 0.00 C ATOM 1528 O TYR A 84 -2.425 -0.976 8.983 1.00 0.00 O ATOM 1529 CB TYR A 84 -2.353 -2.169 5.830 1.00 0.00 C ATOM 1530 CG TYR A 84 -2.638 -3.437 5.072 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -2.468 -4.677 5.696 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -3.083 -3.370 3.749 1.00 0.00 C ATOM 1533 CE1 TYR A 84 -2.746 -5.852 4.992 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -3.359 -4.545 3.046 1.00 0.00 C ATOM 1535 CZ TYR A 84 -3.193 -5.784 3.666 1.00 0.00 C ATOM 1536 OH TYR A 84 -3.468 -6.937 2.965 1.00 0.00 O ATOM 0 H TYR A 84 -4.725 -1.824 5.479 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.178 -2.980 7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.500 -1.304 5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.313 -2.151 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.123 -4.726 6.718 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.213 -2.411 3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.616 -6.812 5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.701 -4.495 2.023 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.842 -7.641 3.235 1.00 0.00 H new ATOM 1546 N GLU A 85 -3.338 0.325 7.448 1.00 0.00 N ATOM 1547 CA GLU A 85 -3.104 1.562 8.271 1.00 0.00 C ATOM 1548 C GLU A 85 -3.741 1.384 9.652 1.00 0.00 C ATOM 1549 O GLU A 85 -3.243 1.872 10.652 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.804 2.696 7.507 1.00 0.00 C ATOM 1551 CG GLU A 85 -3.660 4.019 8.278 1.00 0.00 C ATOM 1552 CD GLU A 85 -3.139 5.124 7.356 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -3.531 5.149 6.193 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -2.375 5.946 7.836 1.00 0.00 O ATOM 0 H GLU A 85 -3.793 0.483 6.549 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.044 1.769 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.370 2.797 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.859 2.457 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.624 4.310 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.977 3.885 9.117 1.00 0.00 H new ATOM 1561 N LYS A 86 -4.842 0.691 9.703 1.00 0.00 N ATOM 1562 CA LYS A 86 -5.547 0.460 10.994 1.00 0.00 C ATOM 1563 C LYS A 86 -5.072 -0.850 11.660 1.00 0.00 C ATOM 1564 O LYS A 86 -5.207 -1.022 12.856 1.00 0.00 O ATOM 1565 CB LYS A 86 -7.024 0.378 10.588 1.00 0.00 C ATOM 1566 CG LYS A 86 -7.479 1.695 9.953 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.129 2.869 10.865 1.00 0.00 C ATOM 1568 CE LYS A 86 -6.457 3.963 10.039 1.00 0.00 C ATOM 1569 NZ LYS A 86 -7.525 4.970 9.799 1.00 0.00 N ATOM 0 H LYS A 86 -5.291 0.267 8.891 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.356 1.243 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.169 -0.441 9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.636 0.158 11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.000 1.824 8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.554 1.670 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.030 3.257 11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.464 2.539 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.614 4.401 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.068 3.567 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.690 5.064 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.403 4.663 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.230 5.888 10.188 1.00 0.00 H new ATOM 1583 N HIS A 87 -4.518 -1.766 10.898 1.00 0.00 N ATOM 1584 CA HIS A 87 -4.031 -3.063 11.475 1.00 0.00 C ATOM 1585 C HIS A 87 -2.770 -3.549 10.719 1.00 0.00 C ATOM 1586 O HIS A 87 -2.817 -4.522 9.986 1.00 0.00 O ATOM 1587 CB HIS A 87 -5.203 -4.034 11.277 1.00 0.00 C ATOM 1588 CG HIS A 87 -4.946 -5.304 12.040 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -4.049 -6.258 11.594 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -5.464 -5.794 13.212 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -4.052 -7.267 12.486 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -4.899 -7.035 13.492 1.00 0.00 N ATOM 0 H HIS A 87 -4.381 -1.669 9.892 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.745 -2.977 12.523 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.130 -3.574 11.620 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.329 -4.255 10.217 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.487 -6.207 10.744 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.199 -5.293 13.825 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.444 -8.155 12.398 1.00 0.00 H new ATOM 1600 N PRO A 88 -1.680 -2.842 10.916 1.00 0.00 N ATOM 1601 CA PRO A 88 -0.401 -3.182 10.246 1.00 0.00 C ATOM 1602 C PRO A 88 0.433 -4.167 11.093 1.00 0.00 C ATOM 1603 O PRO A 88 0.596 -5.317 10.729 1.00 0.00 O ATOM 1604 CB PRO A 88 0.279 -1.821 10.127 1.00 0.00 C ATOM 1605 CG PRO A 88 -0.315 -0.960 11.213 1.00 0.00 C ATOM 1606 CD PRO A 88 -1.533 -1.663 11.767 1.00 0.00 C ATOM 0 HA PRO A 88 -0.529 -3.684 9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.358 -1.913 10.249 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.105 -1.383 9.144 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.416 -0.788 12.003 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.589 0.017 10.815 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.393 -1.940 12.812 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.416 -1.026 11.722 1.00 0.00 H new ATOM 1614 N LEU A 89 0.948 -3.715 12.218 1.00 0.00 N ATOM 1615 CA LEU A 89 1.765 -4.595 13.130 1.00 0.00 C ATOM 1616 C LEU A 89 3.088 -5.040 12.477 1.00 0.00 C ATOM 1617 O LEU A 89 3.350 -6.217 12.331 1.00 0.00 O ATOM 1618 CB LEU A 89 0.879 -5.818 13.449 1.00 0.00 C ATOM 1619 CG LEU A 89 -0.366 -5.418 14.264 1.00 0.00 C ATOM 1620 CD1 LEU A 89 -0.053 -4.242 15.191 1.00 0.00 C ATOM 1621 CD2 LEU A 89 -1.502 -5.026 13.317 1.00 0.00 C ATOM 0 H LEU A 89 0.835 -2.757 12.549 1.00 0.00 H new ATOM 0 HA LEU A 89 2.047 -4.050 14.031 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.568 -6.296 12.520 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.459 -6.553 14.007 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.668 -6.273 14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.946 -3.977 15.756 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.743 -4.524 15.881 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.268 -3.386 14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.380 -4.744 13.899 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.188 -4.183 12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.749 -5.872 12.675 1.00 0.00 H new ATOM 1633 N TYR A 90 3.937 -4.106 12.114 1.00 0.00 N ATOM 1634 CA TYR A 90 5.259 -4.473 11.499 1.00 0.00 C ATOM 1635 C TYR A 90 6.302 -3.382 11.794 1.00 0.00 C ATOM 1636 O TYR A 90 6.502 -2.472 11.011 1.00 0.00 O ATOM 1637 CB TYR A 90 4.990 -4.595 9.994 1.00 0.00 C ATOM 1638 CG TYR A 90 5.363 -5.990 9.548 1.00 0.00 C ATOM 1639 CD1 TYR A 90 4.485 -7.054 9.777 1.00 0.00 C ATOM 1640 CD2 TYR A 90 6.591 -6.222 8.923 1.00 0.00 C ATOM 1641 CE1 TYR A 90 4.838 -8.349 9.383 1.00 0.00 C ATOM 1642 CE2 TYR A 90 6.940 -7.520 8.525 1.00 0.00 C ATOM 1643 CZ TYR A 90 6.063 -8.582 8.757 1.00 0.00 C ATOM 1644 OH TYR A 90 6.410 -9.859 8.370 1.00 0.00 O ATOM 0 H TYR A 90 3.773 -3.104 12.216 1.00 0.00 H new ATOM 0 HA TYR A 90 5.659 -5.403 11.904 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.939 -4.398 9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.571 -3.854 9.445 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.535 -6.876 10.258 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.271 -5.402 8.747 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.161 -9.171 9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.888 -7.699 8.039 1.00 0.00 H new ATOM 0 HH TYR A 90 7.295 -9.844 7.948 1.00 0.00 H new ATOM 1654 N ARG A 91 6.960 -3.474 12.931 1.00 0.00 N ATOM 1655 CA ARG A 91 7.996 -2.456 13.321 1.00 0.00 C ATOM 1656 C ARG A 91 7.423 -1.029 13.185 1.00 0.00 C ATOM 1657 O ARG A 91 6.699 -0.576 14.049 1.00 0.00 O ATOM 1658 CB ARG A 91 9.188 -2.702 12.378 1.00 0.00 C ATOM 1659 CG ARG A 91 9.652 -4.161 12.484 1.00 0.00 C ATOM 1660 CD ARG A 91 10.065 -4.486 13.924 1.00 0.00 C ATOM 1661 NE ARG A 91 10.091 -5.979 13.971 1.00 0.00 N ATOM 1662 CZ ARG A 91 9.298 -6.633 14.764 1.00 0.00 C ATOM 1663 NH1 ARG A 91 9.415 -6.513 16.050 1.00 0.00 N ATOM 1664 NH2 ARG A 91 8.406 -7.424 14.260 1.00 0.00 N ATOM 0 H ARG A 91 6.821 -4.220 13.613 1.00 0.00 H new ATOM 0 HA ARG A 91 8.306 -2.551 14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.901 -2.477 11.351 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.009 -2.032 12.634 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.850 -4.828 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.492 -4.332 11.810 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.041 -4.063 14.163 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.355 -4.077 14.643 1.00 0.00 H new ATOM 0 HE ARG A 91 10.740 -6.491 13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.132 -5.903 16.442 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.790 -7.029 16.669 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.331 -7.529 13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.778 -7.942 14.875 1.00 0.00 H new ATOM 1678 N LYS A 92 7.706 -0.327 12.110 1.00 0.00 N ATOM 1679 CA LYS A 92 7.130 1.051 11.946 1.00 0.00 C ATOM 1680 C LYS A 92 6.114 1.075 10.793 1.00 0.00 C ATOM 1681 O LYS A 92 5.772 2.124 10.273 1.00 0.00 O ATOM 1682 CB LYS A 92 8.313 1.983 11.656 1.00 0.00 C ATOM 1683 CG LYS A 92 9.018 1.579 10.355 1.00 0.00 C ATOM 1684 CD LYS A 92 10.501 1.933 10.463 1.00 0.00 C ATOM 1685 CE LYS A 92 10.661 3.450 10.601 1.00 0.00 C ATOM 1686 NZ LYS A 92 11.421 3.862 9.388 1.00 0.00 N ATOM 0 H LYS A 92 8.304 -0.643 11.347 1.00 0.00 H new ATOM 0 HA LYS A 92 6.597 1.368 12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.961 3.012 11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.021 1.948 12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.898 0.510 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.568 2.095 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.943 1.431 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.034 1.580 9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.692 3.948 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.199 3.710 11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.037 4.758 9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.424 3.989 9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.334 3.127 8.657 1.00 0.00 H new ATOM 1700 N MET A 93 5.623 -0.074 10.397 1.00 0.00 N ATOM 1701 CA MET A 93 4.625 -0.127 9.295 1.00 0.00 C ATOM 1702 C MET A 93 3.227 0.181 9.843 1.00 0.00 C ATOM 1703 O MET A 93 2.763 -0.439 10.781 1.00 0.00 O ATOM 1704 CB MET A 93 4.691 -1.562 8.764 1.00 0.00 C ATOM 1705 CG MET A 93 3.760 -1.711 7.556 1.00 0.00 C ATOM 1706 SD MET A 93 2.520 -2.984 7.901 1.00 0.00 S ATOM 1707 CE MET A 93 2.847 -4.033 6.461 1.00 0.00 C ATOM 0 H MET A 93 5.875 -0.979 10.794 1.00 0.00 H new ATOM 0 HA MET A 93 4.831 0.603 8.512 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.714 -1.807 8.479 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.401 -2.263 9.547 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.271 -0.761 7.341 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.336 -1.980 6.671 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.043 -3.914 5.734 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.794 -3.741 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.901 -5.075 6.775 1.00 0.00 H new ATOM 1717 N LYS A 94 2.559 1.135 9.254 1.00 0.00 N ATOM 1718 CA LYS A 94 1.182 1.502 9.709 1.00 0.00 C ATOM 1719 C LYS A 94 0.531 2.506 8.733 1.00 0.00 C ATOM 1720 O LYS A 94 -0.403 3.194 9.089 1.00 0.00 O ATOM 1721 CB LYS A 94 1.367 2.130 11.100 1.00 0.00 C ATOM 1722 CG LYS A 94 -0.001 2.526 11.672 1.00 0.00 C ATOM 1723 CD LYS A 94 -0.159 1.979 13.097 1.00 0.00 C ATOM 1724 CE LYS A 94 -1.595 1.466 13.315 1.00 0.00 C ATOM 1725 NZ LYS A 94 -2.504 2.549 12.820 1.00 0.00 N ATOM 0 H LYS A 94 2.910 1.683 8.469 1.00 0.00 H new ATOM 0 HA LYS A 94 0.522 0.635 9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.860 1.423 11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.011 3.006 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.100 3.611 11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.796 2.137 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.553 1.171 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.069 2.761 13.822 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.764 0.537 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.778 1.256 14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.406 2.507 13.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.058 3.475 12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.680 2.417 11.803 1.00 0.00 H new ATOM 1739 N LEU A 95 1.014 2.586 7.501 1.00 0.00 N ATOM 1740 CA LEU A 95 0.431 3.520 6.471 1.00 0.00 C ATOM 1741 C LEU A 95 0.661 5.012 6.824 1.00 0.00 C ATOM 1742 O LEU A 95 0.656 5.858 5.947 1.00 0.00 O ATOM 1743 CB LEU A 95 -1.069 3.167 6.411 1.00 0.00 C ATOM 1744 CG LEU A 95 -1.274 1.816 5.702 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -0.866 1.930 4.239 1.00 0.00 C ATOM 1746 CD2 LEU A 95 -0.443 0.721 6.374 1.00 0.00 C ATOM 0 H LEU A 95 1.801 2.032 7.165 1.00 0.00 H new ATOM 0 HA LEU A 95 0.917 3.394 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.479 3.121 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.612 3.949 5.881 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.329 1.551 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.014 0.970 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.476 2.689 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.185 2.213 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.603 -0.225 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.613 0.986 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.747 0.621 7.416 1.00 0.00 H new ATOM 1758 N ARG A 96 0.867 5.353 8.079 1.00 0.00 N ATOM 1759 CA ARG A 96 1.090 6.789 8.455 1.00 0.00 C ATOM 1760 C ARG A 96 2.580 7.074 8.745 1.00 0.00 C ATOM 1761 O ARG A 96 2.954 7.427 9.849 1.00 0.00 O ATOM 1762 CB ARG A 96 0.245 6.982 9.718 1.00 0.00 C ATOM 1763 CG ARG A 96 -0.403 8.369 9.703 1.00 0.00 C ATOM 1764 CD ARG A 96 -1.634 8.365 10.612 1.00 0.00 C ATOM 1765 NE ARG A 96 -2.696 7.677 9.818 1.00 0.00 N ATOM 1766 CZ ARG A 96 -3.939 7.983 9.994 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -4.456 8.954 9.319 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -4.657 7.327 10.852 1.00 0.00 N ATOM 0 H ARG A 96 0.890 4.696 8.859 1.00 0.00 H new ATOM 0 HA ARG A 96 0.811 7.471 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.524 6.212 9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.870 6.872 10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.311 9.120 10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.689 8.638 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.434 7.838 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.933 9.379 10.877 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.439 6.964 9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.884 9.473 8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.436 9.202 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.241 6.567 11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.638 7.571 10.989 1.00 0.00 H new ATOM 1782 N TYR A 97 3.431 6.941 7.756 1.00 0.00 N ATOM 1783 CA TYR A 97 4.888 7.219 7.957 1.00 0.00 C ATOM 1784 C TYR A 97 5.542 7.380 6.576 1.00 0.00 C ATOM 1785 O TYR A 97 5.206 6.655 5.656 1.00 0.00 O ATOM 1786 CB TYR A 97 5.434 5.994 8.710 1.00 0.00 C ATOM 1787 CG TYR A 97 6.925 6.127 8.917 1.00 0.00 C ATOM 1788 CD1 TYR A 97 7.433 6.892 9.978 1.00 0.00 C ATOM 1789 CD2 TYR A 97 7.800 5.478 8.046 1.00 0.00 C ATOM 1790 CE1 TYR A 97 8.820 7.003 10.157 1.00 0.00 C ATOM 1791 CE2 TYR A 97 9.179 5.587 8.226 1.00 0.00 C ATOM 1792 CZ TYR A 97 9.690 6.349 9.278 1.00 0.00 C ATOM 1793 OH TYR A 97 11.058 6.446 9.447 1.00 0.00 O ATOM 0 H TYR A 97 3.177 6.650 6.812 1.00 0.00 H new ATOM 0 HA TYR A 97 5.088 8.130 8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.933 5.898 9.673 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.218 5.086 8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.758 7.394 10.655 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.409 4.889 7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.215 7.592 10.971 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.852 5.081 7.550 1.00 0.00 H new ATOM 0 HH TYR A 97 11.319 7.390 9.464 1.00 0.00 H new ATOM 1803 N PRO A 98 6.431 8.338 6.452 1.00 0.00 N ATOM 1804 CA PRO A 98 7.083 8.583 5.154 1.00 0.00 C ATOM 1805 C PRO A 98 8.363 7.762 5.092 1.00 0.00 C ATOM 1806 O PRO A 98 8.546 6.823 5.837 1.00 0.00 O ATOM 1807 CB PRO A 98 7.442 10.060 5.216 1.00 0.00 C ATOM 1808 CG PRO A 98 7.629 10.348 6.673 1.00 0.00 C ATOM 1809 CD PRO A 98 6.914 9.273 7.472 1.00 0.00 C ATOM 0 HA PRO A 98 6.464 8.324 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.351 10.270 4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.652 10.677 4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.690 10.363 6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.229 11.332 6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.588 8.784 8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.092 9.689 8.054 1.00 0.00 H new ATOM 1817 N ILE A 99 9.260 8.111 4.235 1.00 0.00 N ATOM 1818 CA ILE A 99 10.526 7.366 4.173 1.00 0.00 C ATOM 1819 C ILE A 99 11.679 8.318 4.513 1.00 0.00 C ATOM 1820 O ILE A 99 11.807 9.390 3.952 1.00 0.00 O ATOM 1821 CB ILE A 99 10.579 6.780 2.759 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.468 7.867 1.676 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.393 5.817 2.597 1.00 0.00 C ATOM 1824 CD1 ILE A 99 11.824 8.539 1.470 1.00 0.00 C ATOM 0 H ILE A 99 9.171 8.882 3.573 1.00 0.00 H new ATOM 0 HA ILE A 99 10.607 6.552 4.893 1.00 0.00 H new ATOM 0 HB ILE A 99 11.537 6.276 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.126 7.426 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.726 8.609 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.409 5.386 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.468 5.020 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.460 6.361 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.736 9.307 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.149 8.996 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.555 7.794 1.157 1.00 0.00 H new ATOM 1836 N ASN A 100 12.491 7.957 5.467 1.00 0.00 N ATOM 1837 CA ASN A 100 13.610 8.857 5.871 1.00 0.00 C ATOM 1838 C ASN A 100 14.909 8.442 5.166 1.00 0.00 C ATOM 1839 O ASN A 100 15.459 7.390 5.432 1.00 0.00 O ATOM 1840 CB ASN A 100 13.732 8.679 7.389 1.00 0.00 C ATOM 1841 CG ASN A 100 12.550 9.345 8.095 1.00 0.00 C ATOM 1842 OD1 ASN A 100 11.666 8.671 8.592 1.00 0.00 O ATOM 1843 ND2 ASN A 100 12.495 10.643 8.169 1.00 0.00 N ATOM 0 H ASN A 100 12.430 7.080 5.984 1.00 0.00 H new ATOM 0 HA ASN A 100 13.426 9.896 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.762 7.618 7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.667 9.115 7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.712 11.094 8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.235 11.209 7.753 1.00 0.00 H new ATOM 1850 N GLU A 101 15.406 9.257 4.276 1.00 0.00 N ATOM 1851 CA GLU A 101 16.676 8.907 3.562 1.00 0.00 C ATOM 1852 C GLU A 101 17.875 9.136 4.492 1.00 0.00 C ATOM 1853 O GLU A 101 18.068 10.220 4.998 1.00 0.00 O ATOM 1854 CB GLU A 101 16.725 9.850 2.353 1.00 0.00 C ATOM 1855 CG GLU A 101 17.873 9.444 1.417 1.00 0.00 C ATOM 1856 CD GLU A 101 17.366 8.467 0.353 1.00 0.00 C ATOM 1857 OE1 GLU A 101 16.739 8.916 -0.594 1.00 0.00 O ATOM 1858 OE2 GLU A 101 17.612 7.281 0.496 1.00 0.00 O ATOM 0 H GLU A 101 14.991 10.150 4.010 1.00 0.00 H new ATOM 0 HA GLU A 101 16.712 7.862 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.777 9.816 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 101 16.864 10.878 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.292 10.329 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.675 8.982 1.992 1.00 0.00 H new