USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 709 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 44 SER OG : rot 115:sc= 1.25 USER MOD Set 1.2: A 49 GLN : amide:sc= 1.61 K(o=3.9,f=-3.9!) USER MOD Set 1.3: A 90 LYS NZ :NH3+ -179:sc= 1.01 (180deg=-0.028) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -100:sc= 0.0664 USER MOD Single : A 27 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.065) USER MOD Single : A 40 SER OG : rot -110:sc= 0.936 USER MOD Single : A 46 SER OG : rot 160:sc= 0.565 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.638) USER MOD Single : A 55 GLN : amide:sc= 0.603 K(o=0.6,f=-0.12) USER MOD Single : A 56 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.019) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -7.03! C(o=-7!,f=-9.5!) USER MOD Single : A 67 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.6) USER MOD Single : A 74 THR OG1 : rot 163:sc= -1.01 USER MOD Single : A 77 HIS : no HE2:sc= -3.82 K(o=-3.8,f=-7.1!) USER MOD Single : A 84 THR OG1 : rot 53:sc= 0.77 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc=6.78e-05 USER MOD Single : A 94 TYR OH : rot 150:sc= 0 USER MOD Single : A 98 TYR OH : rot 120:sc= -0.268 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.450 -6.712 2.227 1.00 0.00 N ATOM 145 CA THR A 11 12.091 -8.024 1.682 1.00 0.00 C ATOM 146 C THR A 11 10.820 -8.517 2.368 1.00 0.00 C ATOM 147 O THR A 11 10.265 -7.851 3.219 1.00 0.00 O ATOM 148 CB THR A 11 13.221 -9.040 1.928 1.00 0.00 C ATOM 149 OG1 THR A 11 13.522 -9.110 3.299 1.00 0.00 O ATOM 150 CG2 THR A 11 14.490 -8.678 1.158 1.00 0.00 C ATOM 0 HA THR A 11 11.931 -7.928 0.608 1.00 0.00 H new ATOM 0 HB THR A 11 12.866 -10.007 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.241 -9.760 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.262 -9.420 1.360 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.275 -8.659 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.840 -7.695 1.475 1.00 0.00 H new ATOM 158 N ALA A 12 10.322 -9.689 2.014 1.00 0.00 N ATOM 159 CA ALA A 12 9.027 -10.208 2.459 1.00 0.00 C ATOM 160 C ALA A 12 9.056 -10.504 3.951 1.00 0.00 C ATOM 161 O ALA A 12 8.144 -10.091 4.668 1.00 0.00 O ATOM 162 CB ALA A 12 8.640 -11.425 1.615 1.00 0.00 C ATOM 0 H ALA A 12 10.816 -10.329 1.392 1.00 0.00 H new ATOM 0 HA ALA A 12 8.254 -9.454 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.676 -11.808 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.571 -11.134 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.397 -12.201 1.727 1.00 0.00 H new ATOM 168 N ALA A 13 10.148 -11.102 4.431 1.00 0.00 N ATOM 169 CA ALA A 13 10.318 -11.309 5.865 1.00 0.00 C ATOM 170 C ALA A 13 10.418 -9.958 6.572 1.00 0.00 C ATOM 171 O ALA A 13 9.854 -9.738 7.645 1.00 0.00 O ATOM 172 CB ALA A 13 11.578 -12.136 6.123 1.00 0.00 C ATOM 0 H ALA A 13 10.916 -11.446 3.855 1.00 0.00 H new ATOM 0 HA ALA A 13 9.457 -11.850 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.700 -12.288 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.486 -13.103 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.447 -11.608 5.730 1.00 0.00 H new ATOM 178 N GLU A 14 11.129 -9.035 5.933 1.00 0.00 N ATOM 179 CA GLU A 14 11.427 -7.727 6.461 1.00 0.00 C ATOM 180 C GLU A 14 10.188 -6.828 6.383 1.00 0.00 C ATOM 181 O GLU A 14 10.091 -5.843 7.109 1.00 0.00 O ATOM 182 CB GLU A 14 12.590 -7.225 5.609 1.00 0.00 C ATOM 183 CG GLU A 14 13.270 -5.969 6.158 1.00 0.00 C ATOM 184 CD GLU A 14 14.721 -5.831 5.687 1.00 0.00 C ATOM 185 OE1 GLU A 14 15.028 -5.924 4.479 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.603 -5.577 6.546 1.00 0.00 O ATOM 0 H GLU A 14 11.522 -9.191 5.005 1.00 0.00 H new ATOM 0 HA GLU A 14 11.701 -7.736 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.332 -8.019 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.226 -7.018 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.706 -5.090 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.246 -5.994 7.247 1.00 0.00 H new ATOM 193 N ILE A 15 9.224 -7.173 5.531 1.00 0.00 N ATOM 194 CA ILE A 15 7.956 -6.521 5.329 1.00 0.00 C ATOM 195 C ILE A 15 7.028 -7.015 6.418 1.00 0.00 C ATOM 196 O ILE A 15 6.506 -6.186 7.153 1.00 0.00 O ATOM 197 CB ILE A 15 7.428 -6.759 3.888 1.00 0.00 C ATOM 198 CG1 ILE A 15 8.106 -5.746 2.950 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.898 -6.651 3.777 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.920 -6.060 1.458 1.00 0.00 C ATOM 0 H ILE A 15 9.330 -7.983 4.920 1.00 0.00 H new ATOM 0 HA ILE A 15 8.040 -5.437 5.408 1.00 0.00 H new ATOM 0 HB ILE A 15 7.676 -7.781 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.707 -4.752 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.172 -5.714 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.595 -6.828 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.433 -7.394 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.580 -5.654 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.426 -5.302 0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.345 -7.039 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.857 -6.062 1.216 1.00 0.00 H new ATOM 212 N GLU A 16 6.831 -8.327 6.563 1.00 0.00 N ATOM 213 CA GLU A 16 5.960 -8.798 7.638 1.00 0.00 C ATOM 214 C GLU A 16 6.434 -8.286 8.996 1.00 0.00 C ATOM 215 O GLU A 16 5.613 -7.830 9.786 1.00 0.00 O ATOM 216 CB GLU A 16 5.889 -10.315 7.725 1.00 0.00 C ATOM 217 CG GLU A 16 5.028 -10.978 6.642 1.00 0.00 C ATOM 218 CD GLU A 16 4.230 -12.144 7.231 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.854 -13.114 7.718 1.00 0.00 O ATOM 220 OE2 GLU A 16 2.984 -12.061 7.302 1.00 0.00 O ATOM 0 H GLU A 16 7.243 -9.054 5.977 1.00 0.00 H new ATOM 0 HA GLU A 16 4.972 -8.408 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.900 -10.717 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.495 -10.592 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.347 -10.244 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.664 -11.337 5.833 1.00 0.00 H new ATOM 227 N GLN A 17 7.740 -8.335 9.280 1.00 0.00 N ATOM 228 CA GLN A 17 8.252 -7.892 10.562 1.00 0.00 C ATOM 229 C GLN A 17 8.314 -6.370 10.582 1.00 0.00 C ATOM 230 O GLN A 17 8.141 -5.756 11.635 1.00 0.00 O ATOM 231 CB GLN A 17 9.633 -8.508 10.799 1.00 0.00 C ATOM 232 CG GLN A 17 10.074 -8.405 12.269 1.00 0.00 C ATOM 233 CD GLN A 17 10.182 -9.766 12.946 1.00 0.00 C ATOM 234 OE1 GLN A 17 9.452 -10.051 13.893 1.00 0.00 O ATOM 235 NE2 GLN A 17 11.077 -10.624 12.500 1.00 0.00 N ATOM 0 H GLN A 17 8.452 -8.677 8.635 1.00 0.00 H new ATOM 0 HA GLN A 17 7.591 -8.218 11.365 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.617 -9.556 10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.365 -8.007 10.166 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.039 -7.900 12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.362 -7.787 12.816 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.676 -10.374 11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.171 -11.539 12.942 1.00 0.00 H new ATOM 244 N GLY A 18 8.545 -5.741 9.429 1.00 0.00 N ATOM 245 CA GLY A 18 8.676 -4.309 9.309 1.00 0.00 C ATOM 246 C GLY A 18 7.354 -3.624 9.571 1.00 0.00 C ATOM 247 O GLY A 18 7.311 -2.543 10.165 1.00 0.00 O ATOM 0 H GLY A 18 8.646 -6.233 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.424 -3.948 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.031 -4.054 8.310 1.00 0.00 H new ATOM 251 N PHE A 19 6.269 -4.267 9.148 1.00 0.00 N ATOM 252 CA PHE A 19 4.944 -3.687 9.089 1.00 0.00 C ATOM 253 C PHE A 19 3.988 -4.471 9.986 1.00 0.00 C ATOM 254 O PHE A 19 2.777 -4.270 9.927 1.00 0.00 O ATOM 255 CB PHE A 19 4.546 -3.557 7.613 1.00 0.00 C ATOM 256 CG PHE A 19 5.543 -2.712 6.824 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.717 -1.351 7.127 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.388 -3.300 5.868 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.692 -0.586 6.458 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.409 -2.559 5.249 1.00 0.00 C ATOM 261 CZ PHE A 19 7.548 -1.193 5.527 1.00 0.00 C ATOM 0 H PHE A 19 6.296 -5.235 8.829 1.00 0.00 H new ATOM 0 HA PHE A 19 4.907 -2.677 9.496 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.479 -4.549 7.167 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.555 -3.108 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.097 -0.887 7.880 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.251 -4.338 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.781 0.471 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.086 -3.042 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.309 -0.611 5.028 1.00 0.00 H new ATOM 271 N LYS A 20 4.548 -5.264 10.910 1.00 0.00 N ATOM 272 CA LYS A 20 3.919 -5.931 12.055 1.00 0.00 C ATOM 273 C LYS A 20 3.192 -4.958 13.011 1.00 0.00 C ATOM 274 O LYS A 20 2.733 -5.368 14.080 1.00 0.00 O ATOM 275 CB LYS A 20 5.030 -6.719 12.791 1.00 0.00 C ATOM 276 CG LYS A 20 4.565 -8.018 13.472 1.00 0.00 C ATOM 277 CD LYS A 20 4.711 -9.257 12.575 1.00 0.00 C ATOM 278 CE LYS A 20 4.334 -10.502 13.388 1.00 0.00 C ATOM 279 NZ LYS A 20 4.847 -11.757 12.806 1.00 0.00 N ATOM 0 H LYS A 20 5.546 -5.473 10.870 1.00 0.00 H new ATOM 0 HA LYS A 20 3.136 -6.597 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.816 -6.963 12.076 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.475 -6.070 13.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.141 -8.168 14.385 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.521 -7.912 13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.067 -9.168 11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.735 -9.340 12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.720 -10.396 14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.248 -10.562 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.558 -12.559 13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.460 -11.879 11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.885 -11.718 12.757 1.00 0.00 H new ATOM 293 N ASP A 21 3.106 -3.673 12.670 1.00 0.00 N ATOM 294 CA ASP A 21 2.398 -2.608 13.373 1.00 0.00 C ATOM 295 C ASP A 21 0.899 -2.686 13.079 1.00 0.00 C ATOM 296 O ASP A 21 0.078 -2.252 13.890 1.00 0.00 O ATOM 297 CB ASP A 21 2.891 -1.247 12.842 1.00 0.00 C ATOM 298 CG ASP A 21 3.922 -0.581 13.743 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.518 0.035 14.753 1.00 0.00 O ATOM 300 OD2 ASP A 21 5.118 -0.552 13.372 1.00 0.00 O ATOM 0 H ASP A 21 3.566 -3.324 11.829 1.00 0.00 H new ATOM 0 HA ASP A 21 2.582 -2.715 14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.323 -1.387 11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.037 -0.580 12.726 1.00 0.00 H new ATOM 305 N VAL A 22 0.514 -3.218 11.921 1.00 0.00 N ATOM 306 CA VAL A 22 -0.836 -3.282 11.413 1.00 0.00 C ATOM 307 C VAL A 22 -1.071 -4.715 10.912 1.00 0.00 C ATOM 308 O VAL A 22 -0.108 -5.471 10.744 1.00 0.00 O ATOM 309 CB VAL A 22 -0.981 -2.240 10.279 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.913 -1.100 10.701 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.302 -1.580 9.752 1.00 0.00 C ATOM 0 H VAL A 22 1.186 -3.640 11.280 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.579 -3.050 12.176 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.373 -2.851 9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.999 -0.380 9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.898 -1.503 10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.506 -0.604 11.582 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.049 -0.873 8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.800 -1.052 10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.968 -2.346 9.355 1.00 0.00 H new ATOM 321 N PRO A 23 -2.322 -5.114 10.641 1.00 0.00 N ATOM 322 CA PRO A 23 -2.573 -6.346 9.925 1.00 0.00 C ATOM 323 C PRO A 23 -2.205 -6.153 8.458 1.00 0.00 C ATOM 324 O PRO A 23 -1.967 -5.038 7.976 1.00 0.00 O ATOM 325 CB PRO A 23 -4.068 -6.606 10.082 1.00 0.00 C ATOM 326 CG PRO A 23 -4.620 -5.184 10.049 1.00 0.00 C ATOM 327 CD PRO A 23 -3.558 -4.363 10.774 1.00 0.00 C ATOM 0 HA PRO A 23 -1.987 -7.184 10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.466 -7.221 9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.301 -7.117 11.016 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.766 -4.835 9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.586 -5.119 10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.462 -3.370 10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.820 -4.223 11.823 1.00 0.00 H new ATOM 335 N SER A 24 -2.267 -7.260 7.740 1.00 0.00 N ATOM 336 CA SER A 24 -2.226 -7.271 6.299 1.00 0.00 C ATOM 337 C SER A 24 -3.625 -7.580 5.770 1.00 0.00 C ATOM 338 O SER A 24 -4.546 -7.868 6.544 1.00 0.00 O ATOM 339 CB SER A 24 -1.226 -8.346 5.850 1.00 0.00 C ATOM 340 OG SER A 24 -1.572 -9.633 6.328 1.00 0.00 O ATOM 0 H SER A 24 -2.349 -8.189 8.154 1.00 0.00 H new ATOM 0 HA SER A 24 -1.909 -6.304 5.909 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.181 -8.365 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.230 -8.084 6.206 1.00 0.00 H new ATOM 0 HG SER A 24 -1.028 -9.847 7.115 1.00 0.00 H new ATOM 346 N PHE A 25 -3.778 -7.584 4.450 1.00 0.00 N ATOM 347 CA PHE A 25 -4.910 -8.184 3.770 1.00 0.00 C ATOM 348 C PHE A 25 -4.337 -9.189 2.802 1.00 0.00 C ATOM 349 O PHE A 25 -3.213 -9.017 2.321 1.00 0.00 O ATOM 350 CB PHE A 25 -5.706 -7.130 3.036 1.00 0.00 C ATOM 351 CG PHE A 25 -6.780 -7.663 2.104 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.940 -8.269 2.624 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.599 -7.590 0.709 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.901 -8.812 1.755 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.564 -8.129 -0.158 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.711 -8.751 0.364 1.00 0.00 C ATOM 0 H PHE A 25 -3.102 -7.160 3.814 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.589 -8.661 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.177 -6.476 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.017 -6.515 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.091 -8.316 3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.716 -7.118 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.789 -9.278 2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.424 -8.065 -1.227 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.444 -9.181 -0.302 1.00 0.00 H new ATOM 366 N VAL A 26 -5.120 -10.208 2.491 1.00 0.00 N ATOM 367 CA VAL A 26 -4.752 -11.256 1.587 1.00 0.00 C ATOM 368 C VAL A 26 -5.962 -11.596 0.730 1.00 0.00 C ATOM 369 O VAL A 26 -7.063 -11.723 1.268 1.00 0.00 O ATOM 370 CB VAL A 26 -4.158 -12.411 2.400 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.166 -13.234 3.194 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.327 -13.331 1.509 1.00 0.00 C ATOM 0 H VAL A 26 -6.056 -10.322 2.879 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.971 -10.967 0.884 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.526 -11.924 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.645 -14.025 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.683 -12.589 3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.892 -13.677 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.916 -14.143 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.959 -13.744 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.512 -12.763 1.059 1.00 0.00 H new ATOM 382 N HIS A 27 -5.761 -11.725 -0.583 1.00 0.00 N ATOM 383 CA HIS A 27 -6.738 -12.364 -1.454 1.00 0.00 C ATOM 384 C HIS A 27 -6.150 -13.588 -2.159 1.00 0.00 C ATOM 385 O HIS A 27 -5.000 -13.950 -1.957 1.00 0.00 O ATOM 386 CB HIS A 27 -7.399 -11.335 -2.366 1.00 0.00 C ATOM 387 CG HIS A 27 -6.517 -10.452 -3.203 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.938 -9.273 -3.763 1.00 0.00 N ATOM 389 CD2 HIS A 27 -5.198 -10.625 -3.520 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.883 -8.719 -4.371 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.788 -9.487 -4.222 1.00 0.00 N ATOM 0 H HIS A 27 -4.925 -11.392 -1.064 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.550 -12.773 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.069 -11.870 -3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.020 -10.690 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.587 -11.481 -3.274 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.907 -7.783 -4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.846 -9.280 -4.555 1.00 0.00 H new ATOM 399 N GLU A 28 -6.933 -14.226 -3.005 1.00 0.00 N ATOM 400 CA GLU A 28 -6.735 -15.581 -3.525 1.00 0.00 C ATOM 401 C GLU A 28 -5.769 -15.702 -4.713 1.00 0.00 C ATOM 402 O GLU A 28 -5.602 -16.786 -5.280 1.00 0.00 O ATOM 403 CB GLU A 28 -8.118 -16.181 -3.866 1.00 0.00 C ATOM 404 CG GLU A 28 -9.116 -16.297 -2.691 1.00 0.00 C ATOM 405 CD GLU A 28 -9.476 -14.962 -2.017 1.00 0.00 C ATOM 406 OE1 GLU A 28 -9.734 -13.974 -2.746 1.00 0.00 O ATOM 407 OE2 GLU A 28 -9.378 -14.887 -0.772 1.00 0.00 O ATOM 0 H GLU A 28 -7.779 -13.793 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.240 -16.147 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.574 -15.571 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.967 -17.175 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.032 -16.763 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.695 -16.965 -1.940 1.00 0.00 H new ATOM 414 N GLY A 29 -5.123 -14.599 -5.076 1.00 0.00 N ATOM 415 CA GLY A 29 -4.395 -14.405 -6.328 1.00 0.00 C ATOM 416 C GLY A 29 -5.176 -13.470 -7.253 1.00 0.00 C ATOM 417 O GLY A 29 -6.203 -12.925 -6.842 1.00 0.00 O ATOM 0 H GLY A 29 -5.090 -13.774 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.410 -13.986 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.238 -15.366 -6.818 1.00 0.00 H new ATOM 421 N GLY A 30 -4.693 -13.267 -8.483 1.00 0.00 N ATOM 422 CA GLY A 30 -5.256 -12.328 -9.423 1.00 0.00 C ATOM 423 C GLY A 30 -4.624 -10.962 -9.200 1.00 0.00 C ATOM 424 O GLY A 30 -4.057 -10.669 -8.146 1.00 0.00 O ATOM 0 H GLY A 30 -3.883 -13.768 -8.848 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.075 -12.664 -10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.337 -12.268 -9.294 1.00 0.00 H new ATOM 428 N ASP A 31 -4.634 -10.151 -10.248 1.00 0.00 N ATOM 429 CA ASP A 31 -4.410 -8.712 -10.184 1.00 0.00 C ATOM 430 C ASP A 31 -5.716 -7.950 -10.028 1.00 0.00 C ATOM 431 O ASP A 31 -6.759 -8.363 -10.527 1.00 0.00 O ATOM 432 CB ASP A 31 -3.424 -8.143 -11.202 1.00 0.00 C ATOM 433 CG ASP A 31 -3.780 -8.323 -12.670 1.00 0.00 C ATOM 434 OD1 ASP A 31 -3.835 -9.492 -13.114 1.00 0.00 O ATOM 435 OD2 ASP A 31 -3.771 -7.312 -13.406 1.00 0.00 O ATOM 0 H ASP A 31 -4.803 -10.486 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.853 -8.540 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.311 -7.077 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.451 -8.604 -11.028 1.00 0.00 H new ATOM 440 N VAL A 32 -5.662 -6.862 -9.255 1.00 0.00 N ATOM 441 CA VAL A 32 -6.825 -6.187 -8.686 1.00 0.00 C ATOM 442 C VAL A 32 -6.388 -4.771 -8.336 1.00 0.00 C ATOM 443 O VAL A 32 -5.311 -4.610 -7.774 1.00 0.00 O ATOM 444 CB VAL A 32 -7.272 -6.922 -7.402 1.00 0.00 C ATOM 445 CG1 VAL A 32 -8.421 -6.234 -6.642 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.669 -8.397 -7.581 1.00 0.00 C ATOM 0 H VAL A 32 -4.780 -6.416 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.658 -6.179 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.352 -6.875 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.671 -6.816 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.111 -5.233 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.295 -6.165 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.965 -8.814 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.504 -8.467 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.820 -8.957 -7.973 1.00 0.00 H new ATOM 456 N PRO A 33 -7.181 -3.736 -8.630 1.00 0.00 N ATOM 457 CA PRO A 33 -6.739 -2.365 -8.473 1.00 0.00 C ATOM 458 C PRO A 33 -6.603 -1.971 -7.005 1.00 0.00 C ATOM 459 O PRO A 33 -7.410 -2.362 -6.152 1.00 0.00 O ATOM 460 CB PRO A 33 -7.769 -1.534 -9.242 1.00 0.00 C ATOM 461 CG PRO A 33 -9.038 -2.371 -9.128 1.00 0.00 C ATOM 462 CD PRO A 33 -8.512 -3.801 -9.194 1.00 0.00 C ATOM 0 HA PRO A 33 -5.737 -2.201 -8.869 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.898 -0.544 -8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.474 -1.387 -10.281 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.566 -2.178 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.735 -2.160 -9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.148 -4.482 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.488 -4.166 -10.221 1.00 0.00 H new ATOM 470 N LEU A 34 -5.629 -1.090 -6.745 1.00 0.00 N ATOM 471 CA LEU A 34 -5.352 -0.532 -5.426 1.00 0.00 C ATOM 472 C LEU A 34 -6.597 0.025 -4.710 1.00 0.00 C ATOM 473 O LEU A 34 -6.667 -0.065 -3.489 1.00 0.00 O ATOM 474 CB LEU A 34 -4.044 0.279 -5.431 1.00 0.00 C ATOM 475 CG LEU A 34 -4.007 1.696 -6.001 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.556 2.150 -6.153 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.751 1.866 -7.332 1.00 0.00 C ATOM 0 H LEU A 34 -4.999 -0.740 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.117 -1.333 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.700 0.340 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.306 -0.306 -5.979 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.538 2.323 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.532 3.161 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.067 2.139 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.032 1.474 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.673 2.902 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.308 1.211 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.801 1.606 -7.198 1.00 0.00 H new ATOM 489 N VAL A 35 -7.641 0.465 -5.428 1.00 0.00 N ATOM 490 CA VAL A 35 -8.948 0.783 -4.836 1.00 0.00 C ATOM 491 C VAL A 35 -9.588 -0.447 -4.225 1.00 0.00 C ATOM 492 O VAL A 35 -9.823 -0.445 -3.022 1.00 0.00 O ATOM 493 CB VAL A 35 -9.864 1.567 -5.817 1.00 0.00 C ATOM 494 CG1 VAL A 35 -10.287 0.827 -7.089 1.00 0.00 C ATOM 495 CG2 VAL A 35 -11.109 2.117 -5.105 1.00 0.00 C ATOM 0 H VAL A 35 -7.602 0.610 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.787 1.472 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.222 2.379 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.923 1.475 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.401 0.552 -7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.839 -0.074 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.727 2.660 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.682 1.291 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.803 2.791 -4.305 1.00 0.00 H new ATOM 505 N GLU A 36 -9.876 -1.479 -5.006 1.00 0.00 N ATOM 506 CA GLU A 36 -10.652 -2.598 -4.513 1.00 0.00 C ATOM 507 C GLU A 36 -9.861 -3.332 -3.439 1.00 0.00 C ATOM 508 O GLU A 36 -10.448 -3.704 -2.426 1.00 0.00 O ATOM 509 CB GLU A 36 -11.067 -3.518 -5.672 1.00 0.00 C ATOM 510 CG GLU A 36 -11.963 -2.813 -6.707 1.00 0.00 C ATOM 511 CD GLU A 36 -13.176 -2.112 -6.078 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.913 -2.734 -5.284 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.412 -0.906 -6.339 1.00 0.00 O ATOM 0 H GLU A 36 -9.583 -1.561 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.573 -2.237 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.173 -3.893 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.595 -4.383 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.369 -2.079 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.312 -3.545 -7.435 1.00 0.00 H new ATOM 520 N LEU A 37 -8.532 -3.450 -3.571 1.00 0.00 N ATOM 521 CA LEU A 37 -7.771 -4.189 -2.585 1.00 0.00 C ATOM 522 C LEU A 37 -7.518 -3.325 -1.373 1.00 0.00 C ATOM 523 O LEU A 37 -7.397 -3.902 -0.308 1.00 0.00 O ATOM 524 CB LEU A 37 -6.524 -4.879 -3.158 1.00 0.00 C ATOM 525 CG LEU A 37 -5.355 -4.030 -3.691 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.665 -3.159 -2.631 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.341 -5.014 -4.280 1.00 0.00 C ATOM 0 H LEU A 37 -7.984 -3.051 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.375 -5.032 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.125 -5.528 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.855 -5.524 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.751 -3.326 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.855 -2.596 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.389 -2.467 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.261 -3.796 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.487 -4.464 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.004 -5.698 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.810 -5.582 -5.084 1.00 0.00 H new ATOM 539 N LEU A 38 -7.516 -1.983 -1.447 1.00 0.00 N ATOM 540 CA LEU A 38 -7.349 -1.212 -0.226 1.00 0.00 C ATOM 541 C LEU A 38 -8.639 -1.234 0.578 1.00 0.00 C ATOM 542 O LEU A 38 -8.618 -1.226 1.805 1.00 0.00 O ATOM 543 CB LEU A 38 -6.832 0.226 -0.429 1.00 0.00 C ATOM 544 CG LEU A 38 -7.888 1.316 -0.738 1.00 0.00 C ATOM 545 CD1 LEU A 38 -8.498 1.931 0.525 1.00 0.00 C ATOM 546 CD2 LEU A 38 -7.302 2.505 -1.488 1.00 0.00 C ATOM 0 H LEU A 38 -7.624 -1.439 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.554 -1.703 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.293 0.522 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.109 0.214 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.632 0.783 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.230 2.688 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.987 1.152 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.711 2.392 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.086 3.238 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.516 2.962 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.884 2.167 -2.436 1.00 0.00 H new ATOM 558 N VAL A 39 -9.771 -1.178 -0.112 1.00 0.00 N ATOM 559 CA VAL A 39 -11.089 -1.089 0.492 1.00 0.00 C ATOM 560 C VAL A 39 -11.430 -2.457 1.079 1.00 0.00 C ATOM 561 O VAL A 39 -11.869 -2.503 2.224 1.00 0.00 O ATOM 562 CB VAL A 39 -12.048 -0.576 -0.595 1.00 0.00 C ATOM 563 CG1 VAL A 39 -13.476 -1.137 -0.571 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.111 0.945 -0.652 1.00 0.00 C ATOM 0 H VAL A 39 -9.796 -1.194 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.157 -0.387 1.323 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.588 -0.971 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -14.053 -0.699 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.444 -2.220 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.947 -0.891 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.803 1.251 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.456 1.331 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.119 1.342 -0.867 1.00 0.00 H new ATOM 574 N SER A 40 -11.150 -3.541 0.346 1.00 0.00 N ATOM 575 CA SER A 40 -11.229 -4.900 0.847 1.00 0.00 C ATOM 576 C SER A 40 -10.211 -5.102 1.967 1.00 0.00 C ATOM 577 O SER A 40 -10.505 -5.832 2.911 1.00 0.00 O ATOM 578 CB SER A 40 -10.998 -5.899 -0.295 1.00 0.00 C ATOM 579 OG SER A 40 -11.489 -7.176 0.049 1.00 0.00 O ATOM 0 H SER A 40 -10.857 -3.487 -0.630 1.00 0.00 H new ATOM 0 HA SER A 40 -12.225 -5.076 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.494 -5.545 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.933 -5.962 -0.519 1.00 0.00 H new ATOM 0 HG SER A 40 -10.737 -7.791 0.182 1.00 0.00 H new ATOM 585 N ALA A 41 -9.052 -4.427 1.913 1.00 0.00 N ATOM 586 CA ALA A 41 -8.080 -4.575 2.990 1.00 0.00 C ATOM 587 C ALA A 41 -8.470 -3.750 4.218 1.00 0.00 C ATOM 588 O ALA A 41 -7.959 -3.993 5.311 1.00 0.00 O ATOM 589 CB ALA A 41 -6.690 -4.186 2.483 1.00 0.00 C ATOM 0 H ALA A 41 -8.777 -3.796 1.160 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.065 -5.619 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.965 -4.297 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.411 -4.834 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.702 -3.149 2.146 1.00 0.00 H new ATOM 595 N GLY A 42 -9.372 -2.779 4.062 1.00 0.00 N ATOM 596 CA GLY A 42 -9.898 -2.007 5.172 1.00 0.00 C ATOM 597 C GLY A 42 -8.949 -0.872 5.517 1.00 0.00 C ATOM 598 O GLY A 42 -8.934 -0.376 6.642 1.00 0.00 O ATOM 0 H GLY A 42 -9.755 -2.511 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.878 -1.606 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.036 -2.652 6.040 1.00 0.00 H new ATOM 602 N ILE A 43 -8.198 -0.412 4.520 1.00 0.00 N ATOM 603 CA ILE A 43 -7.285 0.700 4.618 1.00 0.00 C ATOM 604 C ILE A 43 -8.179 1.949 4.543 1.00 0.00 C ATOM 605 O ILE A 43 -8.007 2.815 5.396 1.00 0.00 O ATOM 606 CB ILE A 43 -6.267 0.588 3.454 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.102 -0.444 3.553 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.572 1.927 3.181 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.373 -1.653 4.448 1.00 0.00 C ATOM 0 H ILE A 43 -8.217 -0.827 3.589 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.696 0.733 5.534 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.938 0.238 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.869 -0.801 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.215 0.069 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.866 1.809 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.318 2.676 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.038 2.249 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.502 -2.308 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.573 -1.315 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.237 -2.199 4.070 1.00 0.00 H new ATOM 621 N SER A 44 -9.166 2.032 3.628 1.00 0.00 N ATOM 622 CA SER A 44 -10.104 3.162 3.595 1.00 0.00 C ATOM 623 C SER A 44 -11.357 2.678 2.882 1.00 0.00 C ATOM 624 O SER A 44 -11.421 2.755 1.663 1.00 0.00 O ATOM 625 CB SER A 44 -9.481 4.392 2.912 1.00 0.00 C ATOM 626 OG SER A 44 -8.808 5.181 3.862 1.00 0.00 O ATOM 0 H SER A 44 -9.330 1.330 2.906 1.00 0.00 H new ATOM 0 HA SER A 44 -10.353 3.489 4.605 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.787 4.074 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.258 4.980 2.424 1.00 0.00 H new ATOM 0 HG SER A 44 -7.848 5.179 3.667 1.00 0.00 H new ATOM 632 N PRO A 45 -12.362 2.152 3.598 1.00 0.00 N ATOM 633 CA PRO A 45 -13.436 1.377 2.988 1.00 0.00 C ATOM 634 C PRO A 45 -14.437 2.254 2.230 1.00 0.00 C ATOM 635 O PRO A 45 -15.250 1.766 1.447 1.00 0.00 O ATOM 636 CB PRO A 45 -14.111 0.680 4.166 1.00 0.00 C ATOM 637 CG PRO A 45 -13.915 1.645 5.337 1.00 0.00 C ATOM 638 CD PRO A 45 -12.586 2.330 5.025 1.00 0.00 C ATOM 0 HA PRO A 45 -13.050 0.682 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.168 0.501 3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.656 -0.290 4.369 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.731 2.365 5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.879 1.116 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.623 3.388 5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.775 1.888 5.604 1.00 0.00 H new ATOM 646 N SER A 46 -14.413 3.565 2.468 1.00 0.00 N ATOM 647 CA SER A 46 -15.380 4.473 1.893 1.00 0.00 C ATOM 648 C SER A 46 -14.803 4.872 0.545 1.00 0.00 C ATOM 649 O SER A 46 -13.851 5.645 0.529 1.00 0.00 O ATOM 650 CB SER A 46 -15.614 5.661 2.836 1.00 0.00 C ATOM 651 OG SER A 46 -16.995 5.975 2.919 1.00 0.00 O ATOM 0 H SER A 46 -13.721 4.018 3.065 1.00 0.00 H new ATOM 0 HA SER A 46 -16.364 4.024 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.230 5.424 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.060 6.529 2.479 1.00 0.00 H new ATOM 0 HG SER A 46 -17.164 6.493 3.734 1.00 0.00 H new ATOM 657 N LYS A 47 -15.324 4.350 -0.572 1.00 0.00 N ATOM 658 CA LYS A 47 -14.653 4.452 -1.874 1.00 0.00 C ATOM 659 C LYS A 47 -14.259 5.876 -2.307 1.00 0.00 C ATOM 660 O LYS A 47 -13.324 6.013 -3.088 1.00 0.00 O ATOM 661 CB LYS A 47 -15.436 3.713 -2.978 1.00 0.00 C ATOM 662 CG LYS A 47 -15.444 2.188 -2.753 1.00 0.00 C ATOM 663 CD LYS A 47 -15.825 1.401 -4.018 1.00 0.00 C ATOM 664 CE LYS A 47 -15.651 -0.105 -3.768 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.762 -0.902 -5.005 1.00 0.00 N ATOM 0 H LYS A 47 -16.213 3.850 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.699 3.946 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.461 4.082 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.992 3.935 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.457 1.870 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.146 1.947 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.857 1.616 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.200 1.714 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.678 -0.284 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.404 -0.441 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.392 -1.859 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.760 -0.962 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.212 -0.447 -5.761 1.00 0.00 H new ATOM 679 N ARG A 48 -14.891 6.940 -1.790 1.00 0.00 N ATOM 680 CA ARG A 48 -14.410 8.311 -1.959 1.00 0.00 C ATOM 681 C ARG A 48 -13.028 8.483 -1.321 1.00 0.00 C ATOM 682 O ARG A 48 -12.045 8.817 -1.981 1.00 0.00 O ATOM 683 CB ARG A 48 -15.381 9.383 -1.461 1.00 0.00 C ATOM 684 CG ARG A 48 -16.548 8.967 -0.583 1.00 0.00 C ATOM 685 CD ARG A 48 -16.118 8.852 0.888 1.00 0.00 C ATOM 686 NE ARG A 48 -17.251 8.653 1.808 1.00 0.00 N ATOM 687 CZ ARG A 48 -18.043 9.601 2.333 1.00 0.00 C ATOM 688 NH1 ARG A 48 -17.892 10.883 2.000 1.00 0.00 N ATOM 689 NH2 ARG A 48 -18.993 9.253 3.198 1.00 0.00 N ATOM 0 H ARG A 48 -15.750 6.870 -1.244 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.333 8.467 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.801 10.122 -0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.791 9.888 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.354 9.695 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.943 8.011 -0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.422 8.019 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.580 9.755 1.174 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.456 7.690 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -17.166 11.156 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.502 11.591 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.114 8.274 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.600 9.966 3.603 1.00 0.00 H new ATOM 703 N GLN A 49 -13.003 8.238 -0.008 1.00 0.00 N ATOM 704 CA GLN A 49 -11.835 8.298 0.847 1.00 0.00 C ATOM 705 C GLN A 49 -10.776 7.425 0.213 1.00 0.00 C ATOM 706 O GLN A 49 -9.686 7.919 -0.003 1.00 0.00 O ATOM 707 CB GLN A 49 -12.198 7.808 2.264 1.00 0.00 C ATOM 708 CG GLN A 49 -11.707 8.718 3.397 1.00 0.00 C ATOM 709 CD GLN A 49 -10.282 8.415 3.853 1.00 0.00 C ATOM 710 OE1 GLN A 49 -10.073 8.146 5.031 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.310 8.456 2.958 1.00 0.00 N ATOM 0 H GLN A 49 -13.846 7.980 0.505 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.464 9.318 0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.281 7.713 2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.780 6.812 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.761 9.755 3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.380 8.619 4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.521 8.683 1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.349 8.260 3.239 1.00 0.00 H new ATOM 720 N ALA A 50 -11.134 6.192 -0.161 1.00 0.00 N ATOM 721 CA ALA A 50 -10.269 5.282 -0.883 1.00 0.00 C ATOM 722 C ALA A 50 -9.617 5.962 -2.085 1.00 0.00 C ATOM 723 O ALA A 50 -8.396 5.979 -2.198 1.00 0.00 O ATOM 724 CB ALA A 50 -11.053 4.055 -1.354 1.00 0.00 C ATOM 0 H ALA A 50 -12.054 5.800 0.039 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.483 4.969 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.387 3.383 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.470 3.536 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.862 4.371 -2.013 1.00 0.00 H new ATOM 730 N ARG A 51 -10.416 6.491 -3.020 1.00 0.00 N ATOM 731 CA ARG A 51 -9.833 7.050 -4.229 1.00 0.00 C ATOM 732 C ARG A 51 -8.987 8.279 -3.951 1.00 0.00 C ATOM 733 O ARG A 51 -8.090 8.504 -4.763 1.00 0.00 O ATOM 734 CB ARG A 51 -10.858 7.273 -5.357 1.00 0.00 C ATOM 735 CG ARG A 51 -10.659 6.205 -6.447 1.00 0.00 C ATOM 736 CD ARG A 51 -11.429 6.519 -7.734 1.00 0.00 C ATOM 737 NE ARG A 51 -11.108 5.555 -8.805 1.00 0.00 N ATOM 738 CZ ARG A 51 -10.091 5.625 -9.682 1.00 0.00 C ATOM 739 NH1 ARG A 51 -9.244 6.655 -9.676 1.00 0.00 N ATOM 740 NH2 ARG A 51 -9.922 4.645 -10.567 1.00 0.00 N ATOM 0 H ARG A 51 -11.433 6.540 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.152 6.287 -4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.871 7.218 -4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.736 8.269 -5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.597 6.120 -6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.981 5.237 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.500 6.498 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.187 7.528 -8.067 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.725 4.747 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.361 7.408 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.479 6.690 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.561 3.850 -10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.154 4.689 -11.236 1.00 0.00 H new ATOM 754 N GLU A 52 -9.187 9.032 -2.865 1.00 0.00 N ATOM 755 CA GLU A 52 -8.154 10.025 -2.531 1.00 0.00 C ATOM 756 C GLU A 52 -6.949 9.382 -1.869 1.00 0.00 C ATOM 757 O GLU A 52 -5.820 9.699 -2.228 1.00 0.00 O ATOM 758 CB GLU A 52 -8.690 11.198 -1.701 1.00 0.00 C ATOM 759 CG GLU A 52 -7.586 12.265 -1.558 1.00 0.00 C ATOM 760 CD GLU A 52 -7.997 13.444 -0.682 1.00 0.00 C ATOM 761 OE1 GLU A 52 -7.954 13.329 0.567 1.00 0.00 O ATOM 762 OE2 GLU A 52 -8.279 14.525 -1.238 1.00 0.00 O ATOM 0 H GLU A 52 -9.992 8.986 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.828 10.448 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.568 11.628 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.005 10.849 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.694 11.801 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.316 12.633 -2.548 1.00 0.00 H new ATOM 769 N ASP A 53 -7.162 8.416 -0.987 1.00 0.00 N ATOM 770 CA ASP A 53 -6.109 7.671 -0.334 1.00 0.00 C ATOM 771 C ASP A 53 -5.204 7.014 -1.338 1.00 0.00 C ATOM 772 O ASP A 53 -4.076 6.685 -0.991 1.00 0.00 O ATOM 773 CB ASP A 53 -6.718 6.560 0.548 1.00 0.00 C ATOM 774 CG ASP A 53 -6.598 6.767 2.052 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.645 7.923 2.512 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.519 5.738 2.761 1.00 0.00 O ATOM 0 H ASP A 53 -8.097 8.126 -0.702 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.537 8.376 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.774 6.461 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.239 5.615 0.291 1.00 0.00 H new ATOM 781 N ILE A 54 -5.705 6.747 -2.540 1.00 0.00 N ATOM 782 CA ILE A 54 -4.928 6.282 -3.642 1.00 0.00 C ATOM 783 C ILE A 54 -4.298 7.448 -4.321 1.00 0.00 C ATOM 784 O ILE A 54 -3.109 7.373 -4.506 1.00 0.00 O ATOM 785 CB ILE A 54 -5.782 5.551 -4.691 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.390 4.295 -4.083 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.007 5.196 -5.975 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.555 3.816 -4.933 1.00 0.00 C ATOM 0 H ILE A 54 -6.694 6.857 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.188 5.589 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.569 6.244 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.634 3.513 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.730 4.501 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.671 4.682 -6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.632 6.109 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.169 4.545 -5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.983 2.917 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.316 4.595 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.203 3.592 -5.940 1.00 0.00 H new ATOM 800 N GLN A 55 -5.081 8.418 -4.787 1.00 0.00 N ATOM 801 CA GLN A 55 -4.610 9.389 -5.746 1.00 0.00 C ATOM 802 C GLN A 55 -3.753 10.465 -5.124 1.00 0.00 C ATOM 803 O GLN A 55 -3.194 11.262 -5.877 1.00 0.00 O ATOM 804 CB GLN A 55 -5.799 9.950 -6.520 1.00 0.00 C ATOM 805 CG GLN A 55 -6.306 8.857 -7.472 1.00 0.00 C ATOM 806 CD GLN A 55 -7.606 9.227 -8.170 1.00 0.00 C ATOM 807 OE1 GLN A 55 -7.707 9.234 -9.391 1.00 0.00 O ATOM 808 NE2 GLN A 55 -8.669 9.466 -7.421 1.00 0.00 N ATOM 0 H GLN A 55 -6.053 8.545 -4.506 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.946 8.885 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.590 10.255 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.504 10.837 -7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.542 8.655 -8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.452 7.934 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.588 9.461 -6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.570 9.656 -7.860 1.00 0.00 H new ATOM 817 N ASN A 56 -3.614 10.493 -3.798 1.00 0.00 N ATOM 818 CA ASN A 56 -2.541 11.276 -3.240 1.00 0.00 C ATOM 819 C ASN A 56 -1.254 10.495 -3.314 1.00 0.00 C ATOM 820 O ASN A 56 -1.190 9.344 -2.902 1.00 0.00 O ATOM 821 CB ASN A 56 -2.783 11.600 -1.757 1.00 0.00 C ATOM 822 CG ASN A 56 -3.927 12.545 -1.421 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.304 12.623 -0.256 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.470 13.293 -2.365 1.00 0.00 N ATOM 0 H ASN A 56 -4.206 10.003 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.488 12.201 -3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.958 10.661 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.865 12.026 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.215 13.949 -2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.144 13.215 -3.328 1.00 0.00 H new ATOM 831 N GLY A 57 -0.173 11.201 -3.616 1.00 0.00 N ATOM 832 CA GLY A 57 1.200 10.765 -3.425 1.00 0.00 C ATOM 833 C GLY A 57 1.550 10.484 -1.958 1.00 0.00 C ATOM 834 O GLY A 57 2.712 10.247 -1.649 1.00 0.00 O ATOM 0 H GLY A 57 -0.234 12.136 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.372 9.862 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.874 11.530 -3.812 1.00 0.00 H new ATOM 838 N ALA A 58 0.551 10.462 -1.070 1.00 0.00 N ATOM 839 CA ALA A 58 0.647 10.064 0.314 1.00 0.00 C ATOM 840 C ALA A 58 0.673 8.542 0.421 1.00 0.00 C ATOM 841 O ALA A 58 0.925 8.045 1.514 1.00 0.00 O ATOM 842 CB ALA A 58 -0.583 10.575 1.078 1.00 0.00 C ATOM 0 H ALA A 58 -0.396 10.740 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 58 1.562 10.482 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.512 10.275 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.625 11.662 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.486 10.151 0.639 1.00 0.00 H new ATOM 848 N ILE A 59 0.391 7.781 -0.642 1.00 0.00 N ATOM 849 CA ILE A 59 0.516 6.333 -0.638 1.00 0.00 C ATOM 850 C ILE A 59 1.790 5.924 -1.371 1.00 0.00 C ATOM 851 O ILE A 59 1.884 5.776 -2.590 1.00 0.00 O ATOM 852 CB ILE A 59 -0.840 5.775 -0.993 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.027 4.278 -0.868 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.416 6.315 -2.302 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.272 3.479 -1.896 1.00 0.00 C ATOM 0 H ILE A 59 0.068 8.162 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 59 0.716 5.855 0.321 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.443 6.177 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.709 3.964 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.089 4.047 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.392 5.864 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.524 7.397 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.744 6.069 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.458 2.416 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.606 3.762 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.795 3.679 -1.800 1.00 0.00 H new ATOM 867 N TYR A 60 2.809 5.794 -0.535 1.00 0.00 N ATOM 868 CA TYR A 60 4.122 5.293 -0.827 1.00 0.00 C ATOM 869 C TYR A 60 4.048 3.773 -0.850 1.00 0.00 C ATOM 870 O TYR A 60 4.019 3.121 0.195 1.00 0.00 O ATOM 871 CB TYR A 60 5.097 5.858 0.209 1.00 0.00 C ATOM 872 CG TYR A 60 5.120 7.373 0.287 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.176 8.060 1.076 1.00 0.00 C ATOM 874 CD2 TYR A 60 6.079 8.102 -0.436 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.166 9.461 1.111 1.00 0.00 C ATOM 876 CE2 TYR A 60 6.075 9.506 -0.407 1.00 0.00 C ATOM 877 CZ TYR A 60 5.100 10.192 0.348 1.00 0.00 C ATOM 878 OH TYR A 60 5.090 11.548 0.398 1.00 0.00 O ATOM 0 H TYR A 60 2.719 6.062 0.445 1.00 0.00 H new ATOM 0 HA TYR A 60 4.490 5.609 -1.803 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.837 5.460 1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.101 5.503 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.456 7.503 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.824 7.579 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.443 9.981 1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.817 10.060 -0.962 1.00 0.00 H new ATOM 0 HH TYR A 60 5.795 11.902 -0.183 1.00 0.00 H new ATOM 888 N VAL A 61 3.959 3.191 -2.039 1.00 0.00 N ATOM 889 CA VAL A 61 3.966 1.749 -2.195 1.00 0.00 C ATOM 890 C VAL A 61 5.410 1.309 -2.212 1.00 0.00 C ATOM 891 O VAL A 61 6.218 1.889 -2.931 1.00 0.00 O ATOM 892 CB VAL A 61 3.236 1.293 -3.465 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.336 -0.227 -3.581 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.763 1.652 -3.360 1.00 0.00 C ATOM 0 H VAL A 61 3.880 3.706 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 61 3.427 1.290 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 61 3.687 1.779 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.819 -0.558 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.385 -0.519 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.876 -0.690 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.244 1.328 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.328 1.155 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.659 2.731 -3.249 1.00 0.00 H new ATOM 904 N ASN A 62 5.749 0.266 -1.454 1.00 0.00 N ATOM 905 CA ASN A 62 7.126 -0.241 -1.371 1.00 0.00 C ATOM 906 C ASN A 62 8.092 0.828 -0.824 1.00 0.00 C ATOM 907 O ASN A 62 9.306 0.684 -0.947 1.00 0.00 O ATOM 908 CB ASN A 62 7.598 -0.828 -2.716 1.00 0.00 C ATOM 909 CG ASN A 62 7.113 -2.211 -2.995 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.751 -2.909 -3.766 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.928 -2.573 -2.518 1.00 0.00 N ATOM 0 H ASN A 62 5.083 -0.252 -0.881 1.00 0.00 H new ATOM 0 HA ASN A 62 7.131 -1.062 -0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.266 -0.172 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.688 -0.829 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.518 -3.465 -2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.428 -1.959 -1.875 1.00 0.00 H new ATOM 918 N GLY A 63 7.556 1.900 -0.232 1.00 0.00 N ATOM 919 CA GLY A 63 8.302 3.060 0.231 1.00 0.00 C ATOM 920 C GLY A 63 8.255 4.236 -0.746 1.00 0.00 C ATOM 921 O GLY A 63 8.779 5.295 -0.412 1.00 0.00 O ATOM 0 H GLY A 63 6.554 1.980 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.903 3.380 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.341 2.774 0.395 1.00 0.00 H new ATOM 925 N GLU A 64 7.603 4.110 -1.906 1.00 0.00 N ATOM 926 CA GLU A 64 7.757 5.027 -3.025 1.00 0.00 C ATOM 927 C GLU A 64 6.379 5.440 -3.541 1.00 0.00 C ATOM 928 O GLU A 64 5.540 4.591 -3.840 1.00 0.00 O ATOM 929 CB GLU A 64 8.622 4.346 -4.090 1.00 0.00 C ATOM 930 CG GLU A 64 8.946 5.224 -5.308 1.00 0.00 C ATOM 931 CD GLU A 64 9.775 6.473 -4.998 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.317 6.620 -3.877 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.925 7.329 -5.898 1.00 0.00 O ATOM 0 H GLU A 64 6.944 3.354 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 64 8.262 5.945 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.557 4.026 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.112 3.446 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.483 4.621 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.011 5.533 -5.775 1.00 0.00 H new ATOM 940 N ARG A 65 6.120 6.747 -3.574 1.00 0.00 N ATOM 941 CA ARG A 65 4.887 7.404 -3.990 1.00 0.00 C ATOM 942 C ARG A 65 4.399 6.802 -5.300 1.00 0.00 C ATOM 943 O ARG A 65 5.045 7.006 -6.327 1.00 0.00 O ATOM 944 CB ARG A 65 5.210 8.911 -4.098 1.00 0.00 C ATOM 945 CG ARG A 65 4.148 9.804 -4.769 1.00 0.00 C ATOM 946 CD ARG A 65 4.697 10.548 -6.002 1.00 0.00 C ATOM 947 NE ARG A 65 5.092 9.626 -7.081 1.00 0.00 N ATOM 948 CZ ARG A 65 4.867 9.702 -8.397 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.264 10.764 -8.928 1.00 0.00 N ATOM 950 NH2 ARG A 65 5.254 8.681 -9.158 1.00 0.00 N ATOM 0 H ARG A 65 6.825 7.426 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 65 4.075 7.261 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.389 9.293 -3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.143 9.019 -4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.298 9.190 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.778 10.530 -4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.939 11.237 -6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.557 11.149 -5.708 1.00 0.00 H new ATOM 0 HE ARG A 65 5.617 8.805 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.967 11.534 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.099 10.807 -9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.708 7.872 -8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.097 8.708 -10.165 1.00 0.00 H new ATOM 964 N LEU A 66 3.281 6.077 -5.282 1.00 0.00 N ATOM 965 CA LEU A 66 2.641 5.544 -6.466 1.00 0.00 C ATOM 966 C LEU A 66 1.129 5.564 -6.227 1.00 0.00 C ATOM 967 O LEU A 66 0.595 4.726 -5.503 1.00 0.00 O ATOM 968 CB LEU A 66 3.145 4.135 -6.715 1.00 0.00 C ATOM 969 CG LEU A 66 4.521 3.993 -7.373 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.727 2.500 -7.616 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.650 4.715 -8.718 1.00 0.00 C ATOM 0 H LEU A 66 2.790 5.843 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 66 2.873 6.140 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.171 3.611 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.416 3.620 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 66 5.261 4.444 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.697 2.338 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.691 1.968 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.940 2.126 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.653 4.565 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.917 4.313 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.471 5.781 -8.577 1.00 0.00 H new ATOM 983 N GLN A 67 0.448 6.544 -6.815 1.00 0.00 N ATOM 984 CA GLN A 67 -0.917 6.958 -6.507 1.00 0.00 C ATOM 985 C GLN A 67 -1.854 6.678 -7.687 1.00 0.00 C ATOM 986 O GLN A 67 -2.687 7.509 -8.045 1.00 0.00 O ATOM 987 CB GLN A 67 -0.839 8.443 -6.026 1.00 0.00 C ATOM 988 CG GLN A 67 -0.611 9.601 -6.993 1.00 0.00 C ATOM 989 CD GLN A 67 0.569 9.411 -7.923 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.683 9.816 -7.611 1.00 0.00 O ATOM 991 NE2 GLN A 67 0.358 8.763 -9.055 1.00 0.00 N ATOM 0 H GLN A 67 0.859 7.103 -7.563 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.365 6.378 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.772 8.652 -5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.040 8.491 -5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.511 9.743 -7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.463 10.515 -6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.580 8.437 -9.289 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.133 8.588 -9.695 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.693 5.525 -8.349 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.338 5.249 -9.633 1.00 0.00 C ATOM 1002 C ASP A 68 -2.663 3.757 -9.801 1.00 0.00 C ATOM 1003 O ASP A 68 -1.993 2.900 -9.229 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.404 5.740 -10.749 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.138 6.092 -12.037 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.067 5.362 -12.446 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -1.777 7.124 -12.642 1.00 0.00 O ATOM 0 H ASP A 68 -1.112 4.760 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.291 5.776 -9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.859 6.616 -10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.664 4.968 -10.960 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.680 3.444 -10.603 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.030 2.106 -11.085 1.00 0.00 C ATOM 1014 C VAL A 69 -2.974 1.634 -12.079 1.00 0.00 C ATOM 1015 O VAL A 69 -2.499 0.509 -11.968 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.465 2.172 -11.655 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.663 3.063 -12.894 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.044 0.786 -11.931 1.00 0.00 C ATOM 0 H VAL A 69 -4.319 4.157 -10.954 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.033 1.361 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.015 2.657 -10.849 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.708 3.030 -13.203 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.388 4.090 -12.652 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.033 2.701 -13.707 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.053 0.886 -12.330 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.417 0.267 -12.656 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.076 0.214 -11.004 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.519 2.527 -12.959 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.401 2.258 -13.853 1.00 0.00 C ATOM 1030 C GLY A 70 -0.058 2.234 -13.126 1.00 0.00 C ATOM 1031 O GLY A 70 0.986 2.103 -13.768 1.00 0.00 O ATOM 0 H GLY A 70 -2.919 3.459 -13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.559 1.300 -14.348 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.374 3.019 -14.633 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.059 2.473 -11.813 1.00 0.00 N ATOM 1036 CA ALA A 71 1.044 2.167 -10.929 1.00 0.00 C ATOM 1037 C ALA A 71 0.906 0.779 -10.317 1.00 0.00 C ATOM 1038 O ALA A 71 1.813 -0.029 -10.512 1.00 0.00 O ATOM 1039 CB ALA A 71 1.282 3.278 -9.917 1.00 0.00 C ATOM 0 H ALA A 71 -0.853 2.896 -11.332 1.00 0.00 H new ATOM 0 HA ALA A 71 1.956 2.127 -11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.119 3.009 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.512 4.205 -10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.386 3.416 -9.311 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.147 0.489 -9.531 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.261 -0.799 -8.865 1.00 0.00 C ATOM 1047 C ILE A 72 -1.670 -1.381 -8.922 1.00 0.00 C ATOM 1048 O ILE A 72 -2.653 -0.728 -8.555 1.00 0.00 O ATOM 1049 CB ILE A 72 0.199 -0.720 -7.403 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.382 0.239 -7.166 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.621 -2.124 -6.925 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.949 1.596 -6.604 1.00 0.00 C ATOM 0 H ILE A 72 -0.919 1.130 -9.349 1.00 0.00 H new ATOM 0 HA ILE A 72 0.397 -1.470 -9.417 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.651 -0.331 -6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.087 -0.226 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.911 0.394 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.948 -2.072 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.226 -2.805 -7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.439 -2.489 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.826 2.226 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.267 2.079 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.445 1.450 -5.649 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.730 -2.661 -9.288 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.868 -3.514 -9.088 1.00 0.00 C ATOM 1066 C LEU A 73 -2.469 -4.297 -7.833 1.00 0.00 C ATOM 1067 O LEU A 73 -2.652 -3.767 -6.736 1.00 0.00 O ATOM 1068 CB LEU A 73 -3.238 -4.270 -10.373 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.573 -3.293 -11.533 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.800 -4.036 -12.842 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.808 -2.432 -11.295 1.00 0.00 C ATOM 0 H LEU A 73 -0.952 -3.135 -9.747 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.827 -3.030 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.411 -4.916 -10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.094 -4.917 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.699 -2.644 -11.584 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.032 -3.321 -13.631 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.899 -4.589 -13.107 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.632 -4.731 -12.726 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.968 -1.780 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.678 -3.074 -11.159 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.662 -1.825 -10.401 1.00 0.00 H new ATOM 1083 N THR A 74 -1.800 -5.447 -7.943 1.00 0.00 N ATOM 1084 CA THR A 74 -1.501 -6.342 -6.820 1.00 0.00 C ATOM 1085 C THR A 74 -0.016 -6.444 -6.460 1.00 0.00 C ATOM 1086 O THR A 74 0.823 -5.664 -6.907 1.00 0.00 O ATOM 1087 CB THR A 74 -2.096 -7.720 -7.132 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.825 -8.067 -8.469 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.580 -7.649 -6.791 1.00 0.00 C ATOM 0 H THR A 74 -1.443 -5.790 -8.834 1.00 0.00 H new ATOM 0 HA THR A 74 -1.959 -5.911 -5.930 1.00 0.00 H new ATOM 0 HB THR A 74 -1.649 -8.516 -6.537 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.956 -9.031 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.047 -8.612 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.699 -7.407 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.056 -6.877 -7.396 1.00 0.00 H new ATOM 1097 N ALA A 75 0.307 -7.416 -5.607 1.00 0.00 N ATOM 1098 CA ALA A 75 1.644 -7.731 -5.171 1.00 0.00 C ATOM 1099 C ALA A 75 2.621 -8.035 -6.296 1.00 0.00 C ATOM 1100 O ALA A 75 3.647 -7.365 -6.374 1.00 0.00 O ATOM 1101 CB ALA A 75 1.561 -8.896 -4.185 1.00 0.00 C ATOM 0 H ALA A 75 -0.396 -8.025 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 75 2.051 -6.839 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.563 -9.153 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.947 -8.608 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.114 -9.759 -4.678 1.00 0.00 H new ATOM 1107 N GLU A 76 2.319 -9.009 -7.156 1.00 0.00 N ATOM 1108 CA GLU A 76 3.167 -9.328 -8.314 1.00 0.00 C ATOM 1109 C GLU A 76 3.148 -8.210 -9.356 1.00 0.00 C ATOM 1110 O GLU A 76 3.993 -8.165 -10.247 1.00 0.00 O ATOM 1111 CB GLU A 76 2.735 -10.653 -8.957 1.00 0.00 C ATOM 1112 CG GLU A 76 1.306 -10.618 -9.529 1.00 0.00 C ATOM 1113 CD GLU A 76 0.853 -12.003 -9.984 1.00 0.00 C ATOM 1114 OE1 GLU A 76 0.285 -12.758 -9.162 1.00 0.00 O ATOM 1115 OE2 GLU A 76 1.061 -12.341 -11.173 1.00 0.00 O ATOM 0 H GLU A 76 1.489 -9.596 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 76 4.188 -9.428 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.432 -10.905 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.802 -11.448 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.619 -10.239 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.266 -9.926 -10.370 1.00 0.00 H new ATOM 1122 N HIS A 77 2.190 -7.288 -9.248 1.00 0.00 N ATOM 1123 CA HIS A 77 2.171 -6.112 -10.098 1.00 0.00 C ATOM 1124 C HIS A 77 3.147 -5.066 -9.539 1.00 0.00 C ATOM 1125 O HIS A 77 3.488 -4.104 -10.228 1.00 0.00 O ATOM 1126 CB HIS A 77 0.732 -5.605 -10.171 1.00 0.00 C ATOM 1127 CG HIS A 77 0.517 -4.465 -11.125 1.00 0.00 C ATOM 1128 ND1 HIS A 77 0.976 -3.183 -10.958 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.362 -4.448 -12.165 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.329 -2.395 -11.823 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.475 -3.127 -12.603 1.00 0.00 N ATOM 0 H HIS A 77 1.421 -7.339 -8.579 1.00 0.00 H new ATOM 0 HA HIS A 77 2.501 -6.340 -11.112 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.084 -6.432 -10.462 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.421 -5.291 -9.175 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.687 -2.883 -10.291 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.879 -5.302 -12.577 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.439 -1.322 -11.883 1.00 0.00 H new ATOM 1139 N ARG A 78 3.603 -5.208 -8.289 1.00 0.00 N ATOM 1140 CA ARG A 78 4.493 -4.252 -7.666 1.00 0.00 C ATOM 1141 C ARG A 78 5.875 -4.894 -7.625 1.00 0.00 C ATOM 1142 O ARG A 78 6.712 -4.583 -8.468 1.00 0.00 O ATOM 1143 CB ARG A 78 3.906 -3.843 -6.307 1.00 0.00 C ATOM 1144 CG ARG A 78 4.359 -2.492 -5.726 1.00 0.00 C ATOM 1145 CD ARG A 78 5.840 -2.145 -5.889 1.00 0.00 C ATOM 1146 NE ARG A 78 6.294 -1.731 -7.223 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.575 -1.825 -7.613 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.531 -2.183 -6.749 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.881 -1.556 -8.872 1.00 0.00 N ATOM 0 H ARG A 78 3.358 -5.995 -7.689 1.00 0.00 H new ATOM 0 HA ARG A 78 4.597 -3.318 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.820 -3.825 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.151 -4.621 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.770 -1.704 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.120 -2.480 -4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.077 -1.344 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.425 -3.015 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 78 5.609 -1.357 -7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.291 -2.389 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.500 -2.250 -7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.149 -1.283 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.849 -1.622 -9.187 1.00 0.00 H new ATOM 1163 N LEU A 79 6.151 -5.746 -6.640 1.00 0.00 N ATOM 1164 CA LEU A 79 7.404 -6.418 -6.444 1.00 0.00 C ATOM 1165 C LEU A 79 7.377 -7.742 -7.196 1.00 0.00 C ATOM 1166 O LEU A 79 6.342 -8.161 -7.698 1.00 0.00 O ATOM 1167 CB LEU A 79 7.641 -6.611 -4.932 1.00 0.00 C ATOM 1168 CG LEU A 79 6.432 -6.739 -3.974 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.764 -7.522 -2.699 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.087 -5.359 -3.449 1.00 0.00 C ATOM 0 H LEU A 79 5.462 -5.989 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 79 8.231 -5.827 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.249 -7.508 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.242 -5.769 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 79 5.645 -7.231 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.878 -7.579 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.086 -8.529 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.564 -7.015 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.236 -5.430 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.944 -4.948 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.833 -4.705 -4.283 1.00 0.00 H new ATOM 1182 N GLU A 80 8.529 -8.407 -7.186 1.00 0.00 N ATOM 1183 CA GLU A 80 8.829 -9.741 -7.691 1.00 0.00 C ATOM 1184 C GLU A 80 7.634 -10.703 -7.749 1.00 0.00 C ATOM 1185 O GLU A 80 7.398 -11.317 -8.787 1.00 0.00 O ATOM 1186 CB GLU A 80 9.982 -10.304 -6.846 1.00 0.00 C ATOM 1187 CG GLU A 80 9.642 -10.453 -5.349 1.00 0.00 C ATOM 1188 CD GLU A 80 10.853 -10.659 -4.442 1.00 0.00 C ATOM 1189 OE1 GLU A 80 12.013 -10.363 -4.827 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.635 -11.123 -3.304 1.00 0.00 O ATOM 0 H GLU A 80 9.361 -7.978 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 80 9.114 -9.646 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.269 -11.278 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.848 -9.650 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.106 -9.563 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.964 -11.297 -5.226 1.00 0.00 H new ATOM 1197 N GLY A 81 6.901 -10.838 -6.645 1.00 0.00 N ATOM 1198 CA GLY A 81 5.823 -11.786 -6.488 1.00 0.00 C ATOM 1199 C GLY A 81 5.711 -12.210 -5.030 1.00 0.00 C ATOM 1200 O GLY A 81 5.959 -13.371 -4.700 1.00 0.00 O ATOM 0 H GLY A 81 7.054 -10.267 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.885 -11.341 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.001 -12.659 -7.117 1.00 0.00 H new ATOM 1204 N ARG A 82 5.379 -11.274 -4.130 1.00 0.00 N ATOM 1205 CA ARG A 82 5.062 -11.620 -2.738 1.00 0.00 C ATOM 1206 C ARG A 82 3.904 -10.764 -2.247 1.00 0.00 C ATOM 1207 O ARG A 82 2.760 -11.205 -2.254 1.00 0.00 O ATOM 1208 CB ARG A 82 6.298 -11.522 -1.805 1.00 0.00 C ATOM 1209 CG ARG A 82 7.334 -12.652 -1.932 1.00 0.00 C ATOM 1210 CD ARG A 82 6.781 -14.006 -1.459 1.00 0.00 C ATOM 1211 NE ARG A 82 7.789 -15.077 -1.524 1.00 0.00 N ATOM 1212 CZ ARG A 82 8.193 -15.719 -2.625 1.00 0.00 C ATOM 1213 NH1 ARG A 82 7.699 -15.412 -3.824 1.00 0.00 N ATOM 1214 NH2 ARG A 82 9.127 -16.651 -2.521 1.00 0.00 N ATOM 0 H ARG A 82 5.323 -10.277 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 82 4.757 -12.666 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.799 -10.574 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.947 -11.492 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.652 -12.735 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.218 -12.399 -1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.421 -13.911 -0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.923 -14.280 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 82 8.221 -15.356 -0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.999 -14.675 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.021 -15.914 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.529 -16.871 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.445 -17.149 -3.352 1.00 0.00 H new ATOM 1228 N PHE A 83 4.201 -9.543 -1.809 1.00 0.00 N ATOM 1229 CA PHE A 83 3.317 -8.693 -1.018 1.00 0.00 C ATOM 1230 C PHE A 83 3.236 -7.292 -1.631 1.00 0.00 C ATOM 1231 O PHE A 83 3.573 -7.099 -2.794 1.00 0.00 O ATOM 1232 CB PHE A 83 3.845 -8.617 0.423 1.00 0.00 C ATOM 1233 CG PHE A 83 4.124 -9.908 1.167 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.385 -11.077 0.909 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.100 -9.923 2.181 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.604 -12.235 1.657 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.308 -11.085 2.940 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.554 -12.237 2.683 1.00 0.00 C ATOM 0 H PHE A 83 5.100 -9.102 -2.004 1.00 0.00 H new ATOM 0 HA PHE A 83 2.314 -9.120 -1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.769 -8.039 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.124 -8.047 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.642 -11.078 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.690 -9.039 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.039 -13.130 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.051 -11.091 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.706 -13.126 3.277 1.00 0.00 H new ATOM 1248 N THR A 84 2.796 -6.293 -0.871 1.00 0.00 N ATOM 1249 CA THR A 84 2.882 -4.882 -1.175 1.00 0.00 C ATOM 1250 C THR A 84 2.706 -4.087 0.115 1.00 0.00 C ATOM 1251 O THR A 84 1.711 -4.211 0.825 1.00 0.00 O ATOM 1252 CB THR A 84 1.926 -4.558 -2.337 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.719 -4.542 -3.494 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.164 -3.233 -2.263 1.00 0.00 C ATOM 0 H THR A 84 2.344 -6.466 0.027 1.00 0.00 H new ATOM 0 HA THR A 84 3.862 -4.581 -1.546 1.00 0.00 H new ATOM 0 HB THR A 84 1.143 -5.316 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.224 -5.380 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.528 -3.130 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.547 -3.218 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.874 -2.406 -2.230 1.00 0.00 H new ATOM 1262 N VAL A 85 3.733 -3.300 0.430 1.00 0.00 N ATOM 1263 CA VAL A 85 3.748 -2.347 1.528 1.00 0.00 C ATOM 1264 C VAL A 85 2.983 -1.126 1.048 1.00 0.00 C ATOM 1265 O VAL A 85 3.252 -0.639 -0.053 1.00 0.00 O ATOM 1266 CB VAL A 85 5.203 -1.937 1.838 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.340 -0.926 2.987 1.00 0.00 C ATOM 1268 CG2 VAL A 85 6.050 -3.162 2.161 1.00 0.00 C ATOM 0 H VAL A 85 4.608 -3.312 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 85 3.305 -2.775 2.427 1.00 0.00 H new ATOM 0 HB VAL A 85 5.559 -1.446 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.393 -0.691 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.797 -0.015 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.927 -1.355 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.072 -2.851 2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.635 -3.672 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.049 -3.840 1.308 1.00 0.00 H new ATOM 1278 N ILE A 86 2.090 -0.611 1.882 1.00 0.00 N ATOM 1279 CA ILE A 86 1.272 0.553 1.646 1.00 0.00 C ATOM 1280 C ILE A 86 1.615 1.542 2.741 1.00 0.00 C ATOM 1281 O ILE A 86 1.060 1.441 3.827 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.197 0.107 1.758 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.640 -0.816 0.608 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.143 1.309 1.828 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.652 -0.117 -0.755 1.00 0.00 C ATOM 0 H ILE A 86 1.913 -1.027 2.796 1.00 0.00 H new ATOM 0 HA ILE A 86 1.436 1.006 0.668 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.255 -0.463 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.028 -1.676 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.638 -1.199 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.172 0.958 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.898 1.914 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.033 1.912 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.973 -0.821 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.342 0.726 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.350 0.242 -0.989 1.00 0.00 H new ATOM 1297 N ARG A 87 2.470 2.526 2.490 1.00 0.00 N ATOM 1298 CA ARG A 87 2.675 3.604 3.453 1.00 0.00 C ATOM 1299 C ARG A 87 1.697 4.676 3.010 1.00 0.00 C ATOM 1300 O ARG A 87 2.031 5.540 2.218 1.00 0.00 O ATOM 1301 CB ARG A 87 4.173 3.980 3.537 1.00 0.00 C ATOM 1302 CG ARG A 87 4.485 5.388 4.083 1.00 0.00 C ATOM 1303 CD ARG A 87 5.983 5.711 4.057 1.00 0.00 C ATOM 1304 NE ARG A 87 6.776 4.975 5.059 1.00 0.00 N ATOM 1305 CZ ARG A 87 8.117 4.976 5.139 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.852 5.505 4.170 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.716 4.440 6.199 1.00 0.00 N ATOM 0 H ARG A 87 3.027 2.601 1.639 1.00 0.00 H new ATOM 0 HA ARG A 87 2.462 3.359 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.677 3.247 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.606 3.894 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.947 6.130 3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.118 5.467 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.374 5.488 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.116 6.781 4.219 1.00 0.00 H new ATOM 0 HE ARG A 87 6.265 4.421 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.400 5.917 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.870 5.500 4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.157 4.030 6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.734 4.439 6.263 1.00 0.00 H new ATOM 1321 N ARG A 88 0.441 4.525 3.420 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.675 5.423 3.234 1.00 0.00 C ATOM 1323 C ARG A 88 -0.574 6.441 4.356 1.00 0.00 C ATOM 1324 O ARG A 88 -1.046 6.164 5.456 1.00 0.00 O ATOM 1325 CB ARG A 88 -1.942 4.557 3.349 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.272 5.250 3.039 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.604 5.092 1.556 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.833 3.684 1.170 1.00 0.00 N ATOM 1329 CZ ARG A 88 -4.147 3.182 -0.031 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.454 3.972 -1.048 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -4.111 1.868 -0.235 1.00 0.00 N ATOM 0 H ARG A 88 0.162 3.692 3.938 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.691 5.945 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.836 3.706 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.993 4.159 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.067 4.819 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.211 6.307 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.493 5.678 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.788 5.500 0.960 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.739 3.001 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.454 4.985 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.690 3.568 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.844 1.241 0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.351 1.487 -1.150 1.00 0.00 H new ATOM 1345 N GLY A 89 0.023 7.601 4.102 1.00 0.00 N ATOM 1346 CA GLY A 89 0.212 8.641 5.103 1.00 0.00 C ATOM 1347 C GLY A 89 -1.087 9.070 5.783 1.00 0.00 C ATOM 1348 O GLY A 89 -1.060 9.502 6.936 1.00 0.00 O ATOM 0 H GLY A 89 0.393 7.847 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.909 8.284 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.671 9.510 4.632 1.00 0.00 H new ATOM 1352 N LYS A 90 -2.239 8.880 5.130 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.544 9.090 5.742 1.00 0.00 C ATOM 1354 C LYS A 90 -3.760 8.219 6.984 1.00 0.00 C ATOM 1355 O LYS A 90 -4.458 8.660 7.897 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.646 8.923 4.681 1.00 0.00 C ATOM 1357 CG LYS A 90 -6.009 9.421 5.187 1.00 0.00 C ATOM 1358 CD LYS A 90 -6.847 8.320 5.861 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.647 8.880 7.042 1.00 0.00 C ATOM 1360 NZ LYS A 90 -8.601 9.926 6.626 1.00 0.00 N ATOM 0 H LYS A 90 -2.286 8.575 4.158 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.592 10.113 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.370 9.473 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.724 7.872 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.851 10.233 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.571 9.834 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.528 7.880 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.192 7.521 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.189 8.069 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.960 9.291 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.107 10.286 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.085 10.706 6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.285 9.524 5.953 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.198 7.006 7.055 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.476 6.060 8.134 1.00 0.00 C ATOM 1376 C LYS A 91 -2.203 5.393 8.654 1.00 0.00 C ATOM 1377 O LYS A 91 -1.817 5.692 9.784 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.571 5.067 7.699 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.140 4.250 8.872 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.133 5.040 9.737 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.532 4.191 10.949 1.00 0.00 C ATOM 1382 NZ LYS A 91 -7.646 4.790 11.709 1.00 0.00 N ATOM 0 H LYS A 91 -2.536 6.655 6.362 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.870 6.606 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.381 5.615 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.161 4.386 6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.636 3.362 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.317 3.905 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.682 5.976 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.016 5.299 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.818 3.194 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.670 4.071 11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.881 4.181 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.365 5.731 12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.478 4.881 11.092 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.596 4.431 7.943 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.491 3.641 8.434 1.00 0.00 C ATOM 1398 C LYS A 92 0.251 3.010 7.251 1.00 0.00 C ATOM 1399 O LYS A 92 -0.025 3.274 6.070 1.00 0.00 O ATOM 1400 CB LYS A 92 -1.050 2.564 9.389 1.00 0.00 C ATOM 1401 CG LYS A 92 -0.200 2.359 10.658 1.00 0.00 C ATOM 1402 CD LYS A 92 -0.450 3.409 11.757 1.00 0.00 C ATOM 1403 CE LYS A 92 0.421 4.676 11.735 1.00 0.00 C ATOM 1404 NZ LYS A 92 1.821 4.411 12.127 1.00 0.00 N ATOM 0 H LYS A 92 -1.876 4.187 6.993 1.00 0.00 H new ATOM 0 HA LYS A 92 0.219 4.262 8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.063 2.841 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.121 1.617 8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.405 1.368 11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.855 2.380 10.384 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.494 3.717 11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.315 2.924 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.403 5.107 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.007 5.418 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.364 5.297 12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.844 4.025 13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.241 3.724 11.469 1.00 0.00 H new ATOM 1418 N TYR A 93 1.197 2.158 7.617 1.00 0.00 N ATOM 1419 CA TYR A 93 1.988 1.313 6.738 1.00 0.00 C ATOM 1420 C TYR A 93 1.366 -0.090 6.641 1.00 0.00 C ATOM 1421 O TYR A 93 1.852 -1.032 7.259 1.00 0.00 O ATOM 1422 CB TYR A 93 3.431 1.175 7.197 1.00 0.00 C ATOM 1423 CG TYR A 93 4.289 2.385 7.521 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.948 3.714 7.201 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.485 2.132 8.210 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.824 4.763 7.547 1.00 0.00 C ATOM 1427 CE2 TYR A 93 6.379 3.157 8.526 1.00 0.00 C ATOM 1428 CZ TYR A 93 6.052 4.482 8.188 1.00 0.00 C ATOM 1429 OH TYR A 93 6.976 5.446 8.410 1.00 0.00 O ATOM 0 H TYR A 93 1.448 2.031 8.598 1.00 0.00 H new ATOM 0 HA TYR A 93 1.988 1.800 5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.419 0.549 8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.956 0.615 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.019 3.928 6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.720 1.119 8.503 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.556 5.785 7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.311 2.935 9.024 1.00 0.00 H new ATOM 0 HH TYR A 93 7.753 5.057 8.863 1.00 0.00 H new ATOM 1439 N TYR A 94 0.283 -0.251 5.894 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.417 -1.520 5.793 1.00 0.00 C ATOM 1441 C TYR A 94 0.312 -2.457 4.849 1.00 0.00 C ATOM 1442 O TYR A 94 1.238 -2.069 4.130 1.00 0.00 O ATOM 1443 CB TYR A 94 -1.815 -1.227 5.271 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.730 -0.696 6.341 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.359 -1.597 7.221 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -2.934 0.689 6.471 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.221 -1.117 8.218 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -3.784 1.170 7.476 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.429 0.272 8.356 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.246 0.757 9.325 1.00 0.00 O ATOM 0 H TYR A 94 -0.134 0.497 5.341 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.464 -2.007 6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.752 -0.502 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.241 -2.139 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.178 -2.658 7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.439 1.377 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.724 -1.808 8.878 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.947 2.233 7.578 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.936 1.645 9.600 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.164 -3.695 4.836 1.00 0.00 N ATOM 1461 CA LEU A 95 0.402 -4.782 4.075 1.00 0.00 C ATOM 1462 C LEU A 95 -0.710 -5.424 3.259 1.00 0.00 C ATOM 1463 O LEU A 95 -1.823 -5.610 3.740 1.00 0.00 O ATOM 1464 CB LEU A 95 1.084 -5.751 5.045 1.00 0.00 C ATOM 1465 CG LEU A 95 1.720 -6.997 4.406 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.661 -6.624 3.260 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.525 -7.770 5.458 1.00 0.00 C ATOM 0 H LEU A 95 -0.984 -3.971 5.377 1.00 0.00 H new ATOM 0 HA LEU A 95 1.164 -4.443 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.858 -5.208 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.349 -6.078 5.780 1.00 0.00 H new ATOM 0 HG LEU A 95 0.909 -7.611 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.091 -7.530 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.103 -6.090 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.460 -5.986 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.973 -8.651 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.312 -7.130 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.864 -8.079 6.267 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.417 -5.746 2.012 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.343 -6.285 1.027 1.00 0.00 C ATOM 1481 C ILE A 96 -0.642 -7.491 0.418 1.00 0.00 C ATOM 1482 O ILE A 96 0.532 -7.395 0.068 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.598 -5.201 -0.040 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.180 -3.884 0.520 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.436 -5.669 -1.231 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.555 -3.984 1.192 1.00 0.00 C ATOM 0 H ILE A 96 0.525 -5.633 1.637 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.303 -6.574 1.455 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.592 -4.994 -0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.474 -3.477 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.249 -3.165 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.566 -4.844 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.928 -6.493 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.412 -6.004 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.860 -2.999 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.286 -4.354 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.498 -4.671 2.037 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.312 -8.629 0.289 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.755 -9.814 -0.318 1.00 0.00 C ATOM 1500 C ARG A 97 -1.819 -10.671 -1.013 1.00 0.00 C ATOM 1501 O ARG A 97 -3.036 -10.426 -0.960 1.00 0.00 O ATOM 1502 CB ARG A 97 0.019 -10.572 0.779 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.648 -10.726 2.151 1.00 0.00 C ATOM 1504 CD ARG A 97 0.118 -11.741 3.003 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.427 -11.814 4.365 1.00 0.00 N ATOM 1506 CZ ARG A 97 0.196 -12.359 5.416 1.00 0.00 C ATOM 1507 NH1 ARG A 97 1.365 -12.968 5.285 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -0.364 -12.292 6.613 1.00 0.00 N ATOM 0 H ARG A 97 -2.273 -8.748 0.611 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.071 -9.542 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.242 -11.570 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.973 -10.066 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.677 -9.762 2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.681 -11.051 2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.066 -12.724 2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.171 -11.463 3.045 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.354 -11.418 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.809 -13.029 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.822 -13.376 6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.264 -11.827 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.105 -12.705 7.419 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.348 -11.705 -1.685 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.156 -12.802 -2.114 1.00 0.00 C ATOM 1524 C TYR A 98 -1.764 -14.041 -1.318 1.00 0.00 C ATOM 1525 O TYR A 98 -0.741 -14.068 -0.629 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.013 -13.001 -3.620 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.627 -12.900 -4.221 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.459 -13.617 -3.677 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.449 -12.146 -5.395 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.714 -13.577 -4.296 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.801 -12.127 -6.029 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.879 -12.859 -5.493 1.00 0.00 C ATOM 1533 OH TYR A 98 3.055 -12.937 -6.159 1.00 0.00 O ATOM 0 H TYR A 98 -0.367 -11.795 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.210 -12.600 -1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.413 -13.984 -3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.647 -12.266 -4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.322 -14.200 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.273 -11.583 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.552 -14.096 -3.855 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.938 -11.549 -6.931 1.00 0.00 H new ATOM 0 HH TYR A 98 2.899 -13.297 -7.057 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.581 -15.066 -1.468 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.480 -16.417 -1.017 1.00 0.00 C ATOM 1545 C ALA A 99 -2.889 -17.304 -2.189 1.00 0.00 C ATOM 1546 O ALA A 99 -3.790 -18.134 -2.069 1.00 0.00 O ATOM 1547 CB ALA A 99 -3.365 -16.603 0.218 1.00 0.00 C ATOM 0 H ALA A 99 -3.451 -14.936 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.469 -16.685 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.292 -17.633 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.034 -15.928 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.400 -16.380 -0.039 1.00 0.00 H new