USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot -17:sc= 0.292 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0.29,f=0.28) USER MOD Set 2.1: A 51 ASN : amide:sc= 0.342 X(o=0.41,f=-0.0031) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 179:sc= 0.073 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0465 K(o=-0.047,f=-1.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.53) USER MOD Single : A 23 THR OG1 : rot -120:sc= -0.0581 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0141) USER MOD Single : A 36 THR OG1 : rot -170:sc= 0 USER MOD Single : A 37 SER OG : rot 18:sc= -0.439 USER MOD Single : A 43 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -111:sc= -0.101 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.087) USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.191) USER MOD Single : A 72 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.016) USER MOD Single : A 73 TYR OH : rot -156:sc= -0.204 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -81:sc= 0.0278 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 166:sc= -0.0271 (180deg=-0.27) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.49 F(o=-3,f=-1.5) USER MOD Single : A 100 TYR OH : rot -38:sc= -3.67! USER MOD Single : A 101 HIS : no HD1:sc= -0.704 X(o=-0.7,f=-0.46) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0222 USER MOD Single : A 108 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-12!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.54) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.481 1.835 -15.482 1.00 0.00 N ATOM 168 CA PRO A 14 -2.230 1.671 -14.735 1.00 0.00 C ATOM 169 C PRO A 14 -2.469 1.246 -13.290 1.00 0.00 C ATOM 170 O PRO A 14 -1.894 0.264 -12.818 1.00 0.00 O ATOM 171 CB PRO A 14 -1.602 3.066 -14.786 1.00 0.00 C ATOM 172 CG PRO A 14 -2.753 3.993 -14.967 1.00 0.00 C ATOM 173 CD PRO A 14 -3.761 3.246 -15.796 1.00 0.00 C ATOM 0 HA PRO A 14 -1.600 0.889 -15.160 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.055 3.288 -13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.892 3.151 -15.609 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.176 4.282 -14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.440 4.910 -15.466 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.782 3.522 -15.532 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.640 3.453 -16.859 1.00 0.00 H new ATOM 181 N LEU A 15 -3.320 1.990 -12.593 1.00 0.00 N ATOM 182 CA LEU A 15 -3.636 1.690 -11.201 1.00 0.00 C ATOM 183 C LEU A 15 -5.144 1.600 -10.991 1.00 0.00 C ATOM 184 O LEU A 15 -5.857 2.603 -11.001 1.00 0.00 O ATOM 185 CB LEU A 15 -3.044 2.759 -10.281 1.00 0.00 C ATOM 186 CG LEU A 15 -1.657 2.461 -9.710 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.686 1.192 -8.873 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.634 2.341 -10.830 1.00 0.00 C ATOM 0 H LEU A 15 -3.804 2.806 -12.969 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.196 0.724 -10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.993 3.697 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.731 2.915 -9.449 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.364 3.290 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.690 0.996 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.388 1.316 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.000 0.353 -9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.347 2.129 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.922 1.531 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.593 3.277 -11.388 1.00 0.00 H new ATOM 200 N PRO A 16 -5.642 0.370 -10.795 1.00 0.00 N ATOM 201 CA PRO A 16 -7.070 0.120 -10.576 1.00 0.00 C ATOM 202 C PRO A 16 -7.548 0.637 -9.224 1.00 0.00 C ATOM 203 O PRO A 16 -6.750 1.084 -8.402 1.00 0.00 O ATOM 204 CB PRO A 16 -7.176 -1.406 -10.634 1.00 0.00 C ATOM 205 CG PRO A 16 -5.822 -1.894 -10.251 1.00 0.00 C ATOM 206 CD PRO A 16 -4.850 -0.871 -10.771 1.00 0.00 C ATOM 0 HA PRO A 16 -7.691 0.632 -11.311 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.939 -1.776 -9.949 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.452 -1.746 -11.632 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.737 -1.999 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.624 -2.875 -10.683 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.978 -0.779 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.483 -1.133 -11.763 1.00 0.00 H new ATOM 214 N ASN A 17 -8.857 0.570 -8.999 1.00 0.00 N ATOM 215 CA ASN A 17 -9.441 1.032 -7.745 1.00 0.00 C ATOM 216 C ASN A 17 -9.446 -0.084 -6.704 1.00 0.00 C ATOM 217 O ASN A 17 -9.728 0.151 -5.529 1.00 0.00 O ATOM 218 CB ASN A 17 -10.868 1.534 -7.978 1.00 0.00 C ATOM 219 CG ASN A 17 -11.265 2.620 -6.997 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.556 2.886 -6.026 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.405 3.254 -7.247 1.00 0.00 N ATOM 0 H ASN A 17 -9.532 0.201 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.831 1.853 -7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.954 1.917 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.563 0.699 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.724 3.994 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.961 3.001 -8.064 1.00 0.00 H new ATOM 228 N SER A 18 -9.131 -1.298 -7.145 1.00 0.00 N ATOM 229 CA SER A 18 -9.103 -2.451 -6.253 1.00 0.00 C ATOM 230 C SER A 18 -7.973 -2.322 -5.235 1.00 0.00 C ATOM 231 O SER A 18 -8.116 -2.717 -4.078 1.00 0.00 O ATOM 232 CB SER A 18 -8.935 -3.741 -7.057 1.00 0.00 C ATOM 233 OG SER A 18 -10.118 -4.055 -7.771 1.00 0.00 O ATOM 0 H SER A 18 -8.892 -1.508 -8.114 1.00 0.00 H new ATOM 0 HA SER A 18 -10.051 -2.487 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.104 -3.633 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.683 -4.562 -6.385 1.00 0.00 H new ATOM 0 HG SER A 18 -9.984 -4.883 -8.278 1.00 0.00 H new ATOM 239 N VAL A 19 -6.849 -1.766 -5.676 1.00 0.00 N ATOM 240 CA VAL A 19 -5.694 -1.584 -4.804 1.00 0.00 C ATOM 241 C VAL A 19 -5.986 -0.561 -3.712 1.00 0.00 C ATOM 242 O VAL A 19 -5.745 -0.812 -2.531 1.00 0.00 O ATOM 243 CB VAL A 19 -4.456 -1.129 -5.601 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.067 -2.181 -6.629 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.717 0.212 -6.270 1.00 0.00 C ATOM 0 H VAL A 19 -6.713 -1.434 -6.631 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.487 -2.551 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.623 -1.007 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.191 -1.843 -7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.836 -3.118 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.895 -2.337 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.832 0.518 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.563 0.120 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.943 0.960 -5.510 1.00 0.00 H new ATOM 255 N PHE A 20 -6.506 0.594 -4.114 1.00 0.00 N ATOM 256 CA PHE A 20 -6.831 1.656 -3.170 1.00 0.00 C ATOM 257 C PHE A 20 -8.000 1.251 -2.277 1.00 0.00 C ATOM 258 O PHE A 20 -9.152 1.237 -2.712 1.00 0.00 O ATOM 259 CB PHE A 20 -7.169 2.947 -3.918 1.00 0.00 C ATOM 260 CG PHE A 20 -6.143 3.331 -4.946 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.160 2.760 -6.208 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.160 4.262 -4.649 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.217 3.111 -7.156 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.215 4.617 -5.593 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.243 4.040 -6.847 1.00 0.00 C ATOM 0 H PHE A 20 -6.711 0.818 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.958 1.828 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.136 2.831 -4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.271 3.759 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.919 2.032 -6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.132 4.715 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.242 2.659 -8.137 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.455 5.345 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.504 4.315 -7.585 1.00 0.00 H new ATOM 275 N VAL A 21 -7.695 0.923 -1.026 1.00 0.00 N ATOM 276 CA VAL A 21 -8.720 0.518 -0.070 1.00 0.00 C ATOM 277 C VAL A 21 -9.045 1.649 0.898 1.00 0.00 C ATOM 278 O VAL A 21 -8.192 2.479 1.209 1.00 0.00 O ATOM 279 CB VAL A 21 -8.280 -0.721 0.733 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.968 -0.452 1.454 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.365 -1.129 1.718 1.00 0.00 C ATOM 0 H VAL A 21 -6.747 0.930 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.611 0.270 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.122 -1.546 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.673 -1.338 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.195 -0.211 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.095 0.386 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.038 -2.006 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.556 -0.308 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.280 -1.366 1.174 1.00 0.00 H new ATOM 291 N ASN A 22 -10.286 1.675 1.374 1.00 0.00 N ATOM 292 CA ASN A 22 -10.726 2.705 2.308 1.00 0.00 C ATOM 293 C ASN A 22 -10.406 2.307 3.746 1.00 0.00 C ATOM 294 O ASN A 22 -11.101 2.705 4.682 1.00 0.00 O ATOM 295 CB ASN A 22 -12.228 2.953 2.157 1.00 0.00 C ATOM 296 CG ASN A 22 -12.660 4.274 2.764 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.963 4.353 3.955 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.690 5.319 1.945 1.00 0.00 N ATOM 0 H ASN A 22 -11.005 0.994 1.128 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.189 3.625 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.491 2.939 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.777 2.141 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.973 6.234 2.296 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.430 5.207 0.965 1.00 0.00 H new ATOM 305 N THR A 23 -9.350 1.518 3.915 1.00 0.00 N ATOM 306 CA THR A 23 -8.938 1.065 5.238 1.00 0.00 C ATOM 307 C THR A 23 -7.653 1.756 5.680 1.00 0.00 C ATOM 308 O THR A 23 -6.670 1.795 4.940 1.00 0.00 O ATOM 309 CB THR A 23 -8.725 -0.460 5.269 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.999 -0.967 6.579 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.300 -0.815 4.870 1.00 0.00 C ATOM 0 H THR A 23 -8.764 1.179 3.152 1.00 0.00 H new ATOM 0 HA THR A 23 -9.742 1.325 5.926 1.00 0.00 H new ATOM 0 HB THR A 23 -9.410 -0.915 4.554 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.196 -1.400 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.173 -1.897 4.899 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.104 -0.454 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.601 -0.349 5.564 1.00 0.00 H new ATOM 319 N THR A 24 -7.666 2.300 6.893 1.00 0.00 N ATOM 320 CA THR A 24 -6.502 2.989 7.434 1.00 0.00 C ATOM 321 C THR A 24 -5.802 2.142 8.491 1.00 0.00 C ATOM 322 O THR A 24 -5.205 2.671 9.427 1.00 0.00 O ATOM 323 CB THR A 24 -6.890 4.345 8.054 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.789 4.143 9.150 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.541 5.248 7.018 1.00 0.00 C ATOM 0 H THR A 24 -8.471 2.276 7.519 1.00 0.00 H new ATOM 0 HA THR A 24 -5.821 3.160 6.600 1.00 0.00 H new ATOM 0 HB THR A 24 -5.981 4.828 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.030 5.009 9.540 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.806 6.199 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.844 5.424 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.441 4.769 6.632 1.00 0.00 H new ATOM 333 N GLU A 25 -5.881 0.824 8.333 1.00 0.00 N ATOM 334 CA GLU A 25 -5.254 -0.096 9.274 1.00 0.00 C ATOM 335 C GLU A 25 -4.412 -1.136 8.541 1.00 0.00 C ATOM 336 O GLU A 25 -4.492 -1.264 7.319 1.00 0.00 O ATOM 337 CB GLU A 25 -6.318 -0.793 10.125 1.00 0.00 C ATOM 338 CG GLU A 25 -7.271 0.169 10.815 1.00 0.00 C ATOM 339 CD GLU A 25 -6.785 0.587 12.189 1.00 0.00 C ATOM 340 OE1 GLU A 25 -6.977 -0.189 13.148 1.00 0.00 O ATOM 341 OE2 GLU A 25 -6.213 1.691 12.305 1.00 0.00 O ATOM 0 H GLU A 25 -6.373 0.370 7.563 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.599 0.482 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.893 -1.469 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.824 -1.406 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.399 1.056 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.251 -0.300 10.907 1.00 0.00 H new ATOM 348 N SER A 26 -3.607 -1.876 9.295 1.00 0.00 N ATOM 349 CA SER A 26 -2.747 -2.902 8.717 1.00 0.00 C ATOM 350 C SER A 26 -3.328 -4.293 8.952 1.00 0.00 C ATOM 351 O SER A 26 -3.361 -5.125 8.044 1.00 0.00 O ATOM 352 CB SER A 26 -1.341 -2.816 9.316 1.00 0.00 C ATOM 353 OG SER A 26 -1.361 -3.098 10.705 1.00 0.00 O ATOM 0 H SER A 26 -3.532 -1.785 10.308 1.00 0.00 H new ATOM 0 HA SER A 26 -2.688 -2.729 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.682 -3.520 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.932 -1.820 9.150 1.00 0.00 H new ATOM 0 HG SER A 26 -0.451 -3.038 11.064 1.00 0.00 H new ATOM 359 N CYS A 27 -3.784 -4.538 10.175 1.00 0.00 N ATOM 360 CA CYS A 27 -4.363 -5.829 10.530 1.00 0.00 C ATOM 361 C CYS A 27 -5.466 -6.218 9.552 1.00 0.00 C ATOM 362 O CYS A 27 -5.592 -7.382 9.175 1.00 0.00 O ATOM 363 CB CYS A 27 -4.920 -5.786 11.954 1.00 0.00 C ATOM 364 SG CYS A 27 -3.661 -5.560 13.232 1.00 0.00 S ATOM 0 H CYS A 27 -3.764 -3.860 10.937 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.575 -6.580 10.477 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.644 -4.975 12.025 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.459 -6.713 12.150 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.229 -5.534 14.401 1.00 0.00 H new ATOM 370 N GLU A 28 -6.263 -5.235 9.145 1.00 0.00 N ATOM 371 CA GLU A 28 -7.358 -5.476 8.212 1.00 0.00 C ATOM 372 C GLU A 28 -6.826 -5.927 6.855 1.00 0.00 C ATOM 373 O GLU A 28 -7.142 -7.020 6.384 1.00 0.00 O ATOM 374 CB GLU A 28 -8.203 -4.211 8.045 1.00 0.00 C ATOM 375 CG GLU A 28 -9.328 -4.360 7.035 1.00 0.00 C ATOM 376 CD GLU A 28 -10.536 -5.076 7.608 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.349 -5.965 8.465 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.669 -4.746 7.199 1.00 0.00 O ATOM 0 H GLU A 28 -6.171 -4.265 9.446 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.982 -6.270 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.627 -3.937 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.556 -3.390 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.628 -3.373 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.962 -4.910 6.168 1.00 0.00 H new ATOM 385 N VAL A 29 -6.016 -5.078 6.231 1.00 0.00 N ATOM 386 CA VAL A 29 -5.439 -5.389 4.928 1.00 0.00 C ATOM 387 C VAL A 29 -5.013 -6.851 4.850 1.00 0.00 C ATOM 388 O VAL A 29 -5.376 -7.564 3.915 1.00 0.00 O ATOM 389 CB VAL A 29 -4.222 -4.494 4.625 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.636 -4.834 3.263 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.611 -3.025 4.696 1.00 0.00 C ATOM 0 H VAL A 29 -5.744 -4.169 6.606 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.214 -5.200 4.185 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.458 -4.681 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.777 -4.192 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.319 -5.877 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.391 -4.677 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.740 -2.407 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.392 -2.820 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.980 -2.794 5.695 1.00 0.00 H new ATOM 401 N GLU A 30 -4.242 -7.290 5.840 1.00 0.00 N ATOM 402 CA GLU A 30 -3.766 -8.668 5.883 1.00 0.00 C ATOM 403 C GLU A 30 -4.931 -9.649 5.786 1.00 0.00 C ATOM 404 O GLU A 30 -4.822 -10.698 5.151 1.00 0.00 O ATOM 405 CB GLU A 30 -2.979 -8.920 7.170 1.00 0.00 C ATOM 406 CG GLU A 30 -2.326 -10.290 7.226 1.00 0.00 C ATOM 407 CD GLU A 30 -1.721 -10.593 8.584 1.00 0.00 C ATOM 408 OE1 GLU A 30 -2.491 -10.836 9.536 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.477 -10.588 8.693 1.00 0.00 O ATOM 0 H GLU A 30 -3.934 -6.712 6.622 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.109 -8.825 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.209 -8.155 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.649 -8.811 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.067 -11.052 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.548 -10.349 6.465 1.00 0.00 H new ATOM 416 N ARG A 31 -6.045 -9.300 6.421 1.00 0.00 N ATOM 417 CA ARG A 31 -7.230 -10.149 6.408 1.00 0.00 C ATOM 418 C ARG A 31 -7.896 -10.133 5.036 1.00 0.00 C ATOM 419 O ARG A 31 -8.265 -11.179 4.501 1.00 0.00 O ATOM 420 CB ARG A 31 -8.225 -9.689 7.476 1.00 0.00 C ATOM 421 CG ARG A 31 -9.445 -10.587 7.599 1.00 0.00 C ATOM 422 CD ARG A 31 -9.061 -11.990 8.042 1.00 0.00 C ATOM 423 NE ARG A 31 -10.127 -12.634 8.805 1.00 0.00 N ATOM 424 CZ ARG A 31 -10.205 -13.947 8.994 1.00 0.00 C ATOM 425 NH1 ARG A 31 -9.285 -14.750 8.480 1.00 0.00 N ATOM 426 NH2 ARG A 31 -11.206 -14.458 9.700 1.00 0.00 N ATOM 0 H ARG A 31 -6.152 -8.435 6.951 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.917 -11.170 6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.717 -9.647 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.552 -8.676 7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.144 -10.157 8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.961 -10.635 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.826 -12.595 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.157 -11.944 8.650 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.851 -12.044 9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.514 -14.361 7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.348 -15.757 8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.916 -13.843 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.266 -15.466 9.845 1.00 0.00 H new ATOM 440 N LEU A 32 -8.048 -8.940 4.472 1.00 0.00 N ATOM 441 CA LEU A 32 -8.670 -8.787 3.161 1.00 0.00 C ATOM 442 C LEU A 32 -7.989 -9.678 2.127 1.00 0.00 C ATOM 443 O LEU A 32 -8.639 -10.488 1.466 1.00 0.00 O ATOM 444 CB LEU A 32 -8.607 -7.326 2.713 1.00 0.00 C ATOM 445 CG LEU A 32 -9.272 -6.309 3.641 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.004 -4.891 3.160 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.769 -6.569 3.733 1.00 0.00 C ATOM 0 H LEU A 32 -7.749 -8.064 4.902 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.713 -9.091 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.560 -7.048 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.071 -7.248 1.730 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.842 -6.420 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.485 -4.181 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.930 -4.708 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.405 -4.766 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.225 -5.836 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.214 -6.487 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.941 -7.571 4.126 1.00 0.00 H new ATOM 459 N PHE A 33 -6.676 -9.524 1.995 1.00 0.00 N ATOM 460 CA PHE A 33 -5.906 -10.316 1.042 1.00 0.00 C ATOM 461 C PHE A 33 -6.340 -11.778 1.074 1.00 0.00 C ATOM 462 O PHE A 33 -6.910 -12.290 0.110 1.00 0.00 O ATOM 463 CB PHE A 33 -4.411 -10.209 1.349 1.00 0.00 C ATOM 464 CG PHE A 33 -3.794 -8.919 0.890 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.561 -7.770 0.781 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.449 -8.855 0.567 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.997 -6.582 0.357 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.878 -7.669 0.143 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.653 -6.531 0.039 1.00 0.00 C ATOM 0 H PHE A 33 -6.123 -8.859 2.535 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.094 -9.922 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.261 -10.312 2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.891 -11.040 0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.611 -7.803 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.838 -9.742 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.606 -5.694 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.828 -7.633 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.210 -5.603 -0.290 1.00 0.00 H new ATOM 479 N LYS A 34 -6.067 -12.446 2.189 1.00 0.00 N ATOM 480 CA LYS A 34 -6.429 -13.850 2.349 1.00 0.00 C ATOM 481 C LYS A 34 -7.922 -14.056 2.117 1.00 0.00 C ATOM 482 O LYS A 34 -8.383 -15.184 1.945 1.00 0.00 O ATOM 483 CB LYS A 34 -6.047 -14.340 3.748 1.00 0.00 C ATOM 484 CG LYS A 34 -4.568 -14.194 4.061 1.00 0.00 C ATOM 485 CD LYS A 34 -4.319 -14.127 5.559 1.00 0.00 C ATOM 486 CE LYS A 34 -2.850 -13.884 5.869 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.597 -13.817 7.335 1.00 0.00 N ATOM 0 H LYS A 34 -5.596 -12.038 2.996 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.880 -14.428 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.623 -13.785 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.329 -15.388 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.021 -15.036 3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.182 -13.292 3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.921 -13.329 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.641 -15.058 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.250 -14.682 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.529 -12.953 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.594 -13.600 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.189 -13.072 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.831 -14.732 7.770 1.00 0.00 H new ATOM 501 N ALA A 35 -8.673 -12.959 2.111 1.00 0.00 N ATOM 502 CA ALA A 35 -10.113 -13.021 1.895 1.00 0.00 C ATOM 503 C ALA A 35 -10.445 -13.050 0.407 1.00 0.00 C ATOM 504 O ALA A 35 -11.041 -14.007 -0.089 1.00 0.00 O ATOM 505 CB ALA A 35 -10.798 -11.840 2.568 1.00 0.00 C ATOM 0 H ALA A 35 -8.308 -12.017 2.253 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.483 -13.945 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.873 -11.898 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.597 -11.865 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.415 -10.910 2.149 1.00 0.00 H new ATOM 511 N THR A 36 -10.056 -11.994 -0.302 1.00 0.00 N ATOM 512 CA THR A 36 -10.314 -11.898 -1.733 1.00 0.00 C ATOM 513 C THR A 36 -9.873 -13.165 -2.458 1.00 0.00 C ATOM 514 O THR A 36 -10.447 -13.539 -3.480 1.00 0.00 O ATOM 515 CB THR A 36 -9.592 -10.687 -2.354 1.00 0.00 C ATOM 516 OG1 THR A 36 -9.914 -10.585 -3.745 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.085 -10.811 -2.185 1.00 0.00 C ATOM 0 H THR A 36 -9.561 -11.194 0.092 1.00 0.00 H new ATOM 0 HA THR A 36 -11.390 -11.771 -1.852 1.00 0.00 H new ATOM 0 HB THR A 36 -9.927 -9.788 -1.837 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.335 -9.916 -4.167 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.596 -9.945 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.841 -10.859 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.737 -11.718 -2.679 1.00 0.00 H new ATOM 525 N SER A 37 -8.849 -13.822 -1.922 1.00 0.00 N ATOM 526 CA SER A 37 -8.328 -15.045 -2.520 1.00 0.00 C ATOM 527 C SER A 37 -9.376 -16.154 -2.486 1.00 0.00 C ATOM 528 O SER A 37 -10.066 -16.362 -1.488 1.00 0.00 O ATOM 529 CB SER A 37 -7.065 -15.499 -1.786 1.00 0.00 C ATOM 530 OG SER A 37 -7.256 -15.480 -0.382 1.00 0.00 O ATOM 0 H SER A 37 -8.364 -13.527 -1.074 1.00 0.00 H new ATOM 0 HA SER A 37 -8.079 -14.835 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.797 -16.506 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.232 -14.848 -2.052 1.00 0.00 H new ATOM 0 HG SER A 37 -8.215 -15.456 -0.183 1.00 0.00 H new ATOM 536 N PRO A 38 -9.498 -16.886 -3.604 1.00 0.00 N ATOM 537 CA PRO A 38 -10.458 -17.986 -3.728 1.00 0.00 C ATOM 538 C PRO A 38 -10.079 -19.187 -2.868 1.00 0.00 C ATOM 539 O PRO A 38 -10.945 -19.859 -2.307 1.00 0.00 O ATOM 540 CB PRO A 38 -10.389 -18.350 -5.214 1.00 0.00 C ATOM 541 CG PRO A 38 -9.032 -17.915 -5.648 1.00 0.00 C ATOM 542 CD PRO A 38 -8.708 -16.694 -4.832 1.00 0.00 C ATOM 0 HA PRO A 38 -11.454 -17.698 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.529 -19.420 -5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.168 -17.842 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.297 -18.703 -5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.017 -17.687 -6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.642 -16.625 -4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.988 -15.777 -5.351 1.00 0.00 H new ATOM 550 N ARG A 39 -8.780 -19.450 -2.767 1.00 0.00 N ATOM 551 CA ARG A 39 -8.287 -20.570 -1.975 1.00 0.00 C ATOM 552 C ARG A 39 -8.024 -20.143 -0.534 1.00 0.00 C ATOM 553 O ARG A 39 -7.567 -20.938 0.286 1.00 0.00 O ATOM 554 CB ARG A 39 -7.006 -21.134 -2.592 1.00 0.00 C ATOM 555 CG ARG A 39 -6.156 -20.087 -3.294 1.00 0.00 C ATOM 556 CD ARG A 39 -4.771 -20.623 -3.623 1.00 0.00 C ATOM 557 NE ARG A 39 -4.724 -21.244 -4.943 1.00 0.00 N ATOM 558 CZ ARG A 39 -3.600 -21.436 -5.626 1.00 0.00 C ATOM 559 NH1 ARG A 39 -2.437 -21.056 -5.114 1.00 0.00 N ATOM 560 NH2 ARG A 39 -3.638 -22.009 -6.822 1.00 0.00 N ATOM 0 H ARG A 39 -8.050 -18.903 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.053 -21.345 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.413 -21.606 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.270 -21.914 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.652 -19.770 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.065 -19.205 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.048 -19.809 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.476 -21.352 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.602 -21.547 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.404 -20.616 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.576 -21.204 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.531 -22.303 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.775 -22.156 -7.345 1.00 0.00 H new ATOM 574 N GLY A 40 -8.317 -18.881 -0.233 1.00 0.00 N ATOM 575 CA GLY A 40 -8.106 -18.370 1.108 1.00 0.00 C ATOM 576 C GLY A 40 -6.687 -17.883 1.327 1.00 0.00 C ATOM 577 O GLY A 40 -6.376 -17.306 2.368 1.00 0.00 O ATOM 0 H GLY A 40 -8.697 -18.204 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.801 -17.551 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.334 -19.153 1.832 1.00 0.00 H new ATOM 581 N GLU A 41 -5.824 -18.118 0.343 1.00 0.00 N ATOM 582 CA GLU A 41 -4.430 -17.700 0.434 1.00 0.00 C ATOM 583 C GLU A 41 -4.074 -16.740 -0.697 1.00 0.00 C ATOM 584 O GLU A 41 -4.355 -16.991 -1.870 1.00 0.00 O ATOM 585 CB GLU A 41 -3.506 -18.919 0.393 1.00 0.00 C ATOM 586 CG GLU A 41 -3.519 -19.648 -0.941 1.00 0.00 C ATOM 587 CD GLU A 41 -2.682 -20.912 -0.923 1.00 0.00 C ATOM 588 OE1 GLU A 41 -1.462 -20.812 -0.676 1.00 0.00 O ATOM 589 OE2 GLU A 41 -3.247 -22.002 -1.155 1.00 0.00 O ATOM 0 H GLU A 41 -6.066 -18.595 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.294 -17.181 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.487 -18.600 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.800 -19.614 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.546 -19.901 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.147 -18.981 -1.719 1.00 0.00 H new ATOM 596 N PRO A 42 -3.442 -15.613 -0.339 1.00 0.00 N ATOM 597 CA PRO A 42 -3.034 -14.592 -1.308 1.00 0.00 C ATOM 598 C PRO A 42 -1.893 -15.064 -2.202 1.00 0.00 C ATOM 599 O PRO A 42 -1.118 -15.942 -1.822 1.00 0.00 O ATOM 600 CB PRO A 42 -2.576 -13.428 -0.426 1.00 0.00 C ATOM 601 CG PRO A 42 -2.169 -14.064 0.858 1.00 0.00 C ATOM 602 CD PRO A 42 -3.076 -15.248 1.040 1.00 0.00 C ATOM 0 HA PRO A 42 -3.842 -14.334 -1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.745 -12.889 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.379 -12.707 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.125 -14.374 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.269 -13.365 1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.570 -16.067 1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.953 -14.994 1.635 1.00 0.00 H new ATOM 610 N GLN A 43 -1.795 -14.475 -3.390 1.00 0.00 N ATOM 611 CA GLN A 43 -0.747 -14.837 -4.337 1.00 0.00 C ATOM 612 C GLN A 43 0.475 -13.941 -4.165 1.00 0.00 C ATOM 613 O GLN A 43 0.349 -12.728 -3.994 1.00 0.00 O ATOM 614 CB GLN A 43 -1.270 -14.738 -5.771 1.00 0.00 C ATOM 615 CG GLN A 43 -1.866 -16.036 -6.292 1.00 0.00 C ATOM 616 CD GLN A 43 -2.718 -15.831 -7.529 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.387 -16.314 -8.612 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.823 -15.112 -7.374 1.00 0.00 N ATOM 0 H GLN A 43 -2.428 -13.746 -3.719 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.450 -15.867 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.027 -13.955 -5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.454 -14.434 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.061 -16.735 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.472 -16.493 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.059 -14.731 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.436 -14.941 -8.171 1.00 0.00 H new ATOM 627 N ASP A 44 1.657 -14.546 -4.213 1.00 0.00 N ATOM 628 CA ASP A 44 2.903 -13.802 -4.063 1.00 0.00 C ATOM 629 C ASP A 44 2.898 -12.553 -4.939 1.00 0.00 C ATOM 630 O ASP A 44 2.648 -12.626 -6.141 1.00 0.00 O ATOM 631 CB ASP A 44 4.097 -14.688 -4.423 1.00 0.00 C ATOM 632 CG ASP A 44 5.413 -13.938 -4.363 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.506 -12.854 -4.976 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.350 -14.435 -3.703 1.00 0.00 O ATOM 0 H ASP A 44 1.779 -15.549 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 44 2.991 -13.493 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.135 -15.537 -3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.957 -15.091 -5.426 1.00 0.00 H new ATOM 639 N GLY A 45 3.176 -11.406 -4.327 1.00 0.00 N ATOM 640 CA GLY A 45 3.197 -10.157 -5.065 1.00 0.00 C ATOM 641 C GLY A 45 1.972 -9.305 -4.800 1.00 0.00 C ATOM 642 O GLY A 45 1.947 -8.119 -5.131 1.00 0.00 O ATOM 0 H GLY A 45 3.387 -11.320 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.091 -9.595 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.263 -10.370 -6.132 1.00 0.00 H new ATOM 646 N LEU A 46 0.951 -9.910 -4.203 1.00 0.00 N ATOM 647 CA LEU A 46 -0.285 -9.200 -3.894 1.00 0.00 C ATOM 648 C LEU A 46 0.007 -7.873 -3.201 1.00 0.00 C ATOM 649 O LEU A 46 0.325 -7.838 -2.012 1.00 0.00 O ATOM 650 CB LEU A 46 -1.185 -10.063 -3.008 1.00 0.00 C ATOM 651 CG LEU A 46 -2.685 -9.777 -3.093 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.193 -10.009 -4.508 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.450 -10.640 -2.101 1.00 0.00 C ATOM 0 H LEU A 46 0.955 -10.891 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.799 -8.993 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.020 -11.109 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.870 -9.937 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.851 -8.731 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.262 -9.801 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.667 -9.347 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.014 -11.046 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.516 -10.423 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.278 -11.693 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.106 -10.424 -1.090 1.00 0.00 H new ATOM 665 N TYR A 47 -0.104 -6.782 -3.952 1.00 0.00 N ATOM 666 CA TYR A 47 0.149 -5.453 -3.410 1.00 0.00 C ATOM 667 C TYR A 47 -1.110 -4.593 -3.467 1.00 0.00 C ATOM 668 O TYR A 47 -2.028 -4.867 -4.240 1.00 0.00 O ATOM 669 CB TYR A 47 1.281 -4.771 -4.182 1.00 0.00 C ATOM 670 CG TYR A 47 0.926 -4.445 -5.615 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.106 -5.380 -6.626 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.409 -3.201 -5.956 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.783 -5.085 -7.937 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.082 -2.898 -7.264 1.00 0.00 C ATOM 675 CZ TYR A 47 0.272 -3.843 -8.251 1.00 0.00 C ATOM 676 OH TYR A 47 -0.052 -3.546 -9.555 1.00 0.00 O ATOM 0 H TYR A 47 -0.367 -6.793 -4.937 1.00 0.00 H new ATOM 0 HA TYR A 47 0.445 -5.564 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.558 -3.851 -3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.158 -5.418 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.505 -6.354 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.260 -2.459 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.930 -5.823 -8.712 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.320 -1.927 -7.512 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.400 -2.631 -9.605 1.00 0.00 H new ATOM 686 N CYS A 48 -1.144 -3.551 -2.644 1.00 0.00 N ATOM 687 CA CYS A 48 -2.290 -2.649 -2.599 1.00 0.00 C ATOM 688 C CYS A 48 -1.886 -1.284 -2.052 1.00 0.00 C ATOM 689 O CYS A 48 -0.708 -1.028 -1.803 1.00 0.00 O ATOM 690 CB CYS A 48 -3.403 -3.248 -1.738 1.00 0.00 C ATOM 691 SG CYS A 48 -3.243 -2.891 0.028 1.00 0.00 S ATOM 0 H CYS A 48 -0.392 -3.310 -1.999 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.658 -2.518 -3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.363 -2.869 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.416 -4.329 -1.880 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.946 -3.984 0.666 1.00 0.00 H new ATOM 697 N ILE A 49 -2.871 -0.411 -1.869 1.00 0.00 N ATOM 698 CA ILE A 49 -2.618 0.929 -1.353 1.00 0.00 C ATOM 699 C ILE A 49 -3.677 1.335 -0.335 1.00 0.00 C ATOM 700 O ILE A 49 -4.817 1.630 -0.694 1.00 0.00 O ATOM 701 CB ILE A 49 -2.584 1.971 -2.486 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.429 1.678 -3.445 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.459 3.374 -1.911 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.524 2.430 -4.754 1.00 0.00 C ATOM 0 H ILE A 49 -3.851 -0.607 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.643 0.901 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.518 1.909 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.488 1.933 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.401 0.608 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.436 4.100 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.312 3.580 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.539 3.449 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.672 2.173 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.448 2.157 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.521 3.502 -4.559 1.00 0.00 H new ATOM 716 N ARG A 50 -3.293 1.348 0.938 1.00 0.00 N ATOM 717 CA ARG A 50 -4.210 1.718 2.009 1.00 0.00 C ATOM 718 C ARG A 50 -3.986 3.165 2.440 1.00 0.00 C ATOM 719 O ARG A 50 -2.969 3.771 2.107 1.00 0.00 O ATOM 720 CB ARG A 50 -4.032 0.784 3.207 1.00 0.00 C ATOM 721 CG ARG A 50 -2.675 0.909 3.880 1.00 0.00 C ATOM 722 CD ARG A 50 -2.441 -0.218 4.874 1.00 0.00 C ATOM 723 NE ARG A 50 -1.579 0.195 5.978 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.857 -0.651 6.704 1.00 0.00 C ATOM 725 NH1 ARG A 50 -0.894 -1.951 6.444 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.096 -0.198 7.692 1.00 0.00 N ATOM 0 H ARG A 50 -2.353 1.107 1.252 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.228 1.623 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.812 0.993 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.172 -0.246 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.890 0.898 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.609 1.868 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.399 -0.557 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.990 -1.067 4.360 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.529 1.188 6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.478 -2.303 5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.339 -2.599 7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.065 0.801 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.458 -0.849 8.249 1.00 0.00 H new ATOM 740 N ASN A 51 -4.944 3.711 3.183 1.00 0.00 N ATOM 741 CA ASN A 51 -4.851 5.086 3.659 1.00 0.00 C ATOM 742 C ASN A 51 -4.062 5.158 4.963 1.00 0.00 C ATOM 743 O ASN A 51 -4.086 4.227 5.767 1.00 0.00 O ATOM 744 CB ASN A 51 -6.250 5.672 3.864 1.00 0.00 C ATOM 745 CG ASN A 51 -6.883 6.125 2.562 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.923 7.318 2.261 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.380 5.172 1.783 1.00 0.00 N ATOM 0 H ASN A 51 -5.793 3.222 3.468 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.326 5.671 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.889 4.925 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.190 6.517 4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.817 5.416 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.325 4.196 2.073 1.00 0.00 H new ATOM 830 N LYS A 58 -0.503 8.080 1.383 1.00 0.00 N ATOM 831 CA LYS A 58 -0.812 6.680 1.116 1.00 0.00 C ATOM 832 C LYS A 58 0.347 5.779 1.528 1.00 0.00 C ATOM 833 O LYS A 58 1.472 6.243 1.714 1.00 0.00 O ATOM 834 CB LYS A 58 -1.126 6.480 -0.368 1.00 0.00 C ATOM 835 CG LYS A 58 -2.331 7.270 -0.848 1.00 0.00 C ATOM 836 CD LYS A 58 -3.630 6.533 -0.564 1.00 0.00 C ATOM 837 CE LYS A 58 -4.779 7.094 -1.388 1.00 0.00 C ATOM 838 NZ LYS A 58 -6.103 6.720 -0.818 1.00 0.00 N ATOM 0 HA LYS A 58 -1.687 6.408 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.255 6.769 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.300 5.420 -0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.349 8.243 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.243 7.455 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.505 5.473 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.869 6.610 0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.697 8.180 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.707 6.725 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.860 7.135 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.199 5.684 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.176 7.079 0.155 1.00 0.00 H new ATOM 852 N VAL A 59 0.066 4.487 1.666 1.00 0.00 N ATOM 853 CA VAL A 59 1.087 3.520 2.053 1.00 0.00 C ATOM 854 C VAL A 59 0.943 2.224 1.264 1.00 0.00 C ATOM 855 O VAL A 59 -0.022 1.479 1.442 1.00 0.00 O ATOM 856 CB VAL A 59 1.016 3.202 3.559 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.110 2.219 3.948 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.119 4.479 4.378 1.00 0.00 C ATOM 0 H VAL A 59 -0.860 4.086 1.516 1.00 0.00 H new ATOM 0 HA VAL A 59 2.053 3.973 1.830 1.00 0.00 H new ATOM 0 HB VAL A 59 0.052 2.739 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.045 2.006 5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.985 1.294 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.085 2.652 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.067 4.236 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.067 4.973 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.297 5.145 4.118 1.00 0.00 H new ATOM 868 N LEU A 60 1.909 1.959 0.391 1.00 0.00 N ATOM 869 CA LEU A 60 1.891 0.751 -0.427 1.00 0.00 C ATOM 870 C LEU A 60 2.213 -0.480 0.413 1.00 0.00 C ATOM 871 O LEU A 60 3.306 -0.599 0.967 1.00 0.00 O ATOM 872 CB LEU A 60 2.894 0.875 -1.576 1.00 0.00 C ATOM 873 CG LEU A 60 3.302 -0.433 -2.254 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.250 -0.861 -3.266 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.660 -0.286 -2.924 1.00 0.00 C ATOM 0 H LEU A 60 2.714 2.564 0.231 1.00 0.00 H new ATOM 0 HA LEU A 60 0.888 0.635 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.470 1.536 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.793 1.360 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 60 3.378 -1.207 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.558 -1.794 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.296 -1.008 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.141 -0.088 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.934 -1.227 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.611 0.502 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.409 -0.027 -2.175 1.00 0.00 H new ATOM 887 N VAL A 61 1.254 -1.396 0.503 1.00 0.00 N ATOM 888 CA VAL A 61 1.436 -2.621 1.273 1.00 0.00 C ATOM 889 C VAL A 61 1.491 -3.841 0.360 1.00 0.00 C ATOM 890 O VAL A 61 0.516 -4.170 -0.315 1.00 0.00 O ATOM 891 CB VAL A 61 0.303 -2.813 2.298 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.284 -4.244 2.813 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.452 -1.826 3.447 1.00 0.00 C ATOM 0 H VAL A 61 0.343 -1.313 0.052 1.00 0.00 H new ATOM 0 HA VAL A 61 2.384 -2.524 1.803 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.648 -2.619 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.523 -4.360 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.126 -4.929 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.236 -4.471 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.357 -1.975 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.409 -1.987 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.410 -0.808 3.060 1.00 0.00 H new ATOM 903 N VAL A 62 2.640 -4.510 0.344 1.00 0.00 N ATOM 904 CA VAL A 62 2.823 -5.695 -0.485 1.00 0.00 C ATOM 905 C VAL A 62 2.807 -6.964 0.360 1.00 0.00 C ATOM 906 O VAL A 62 3.222 -6.956 1.519 1.00 0.00 O ATOM 907 CB VAL A 62 4.146 -5.631 -1.270 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.178 -6.702 -2.351 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.342 -4.248 -1.873 1.00 0.00 C ATOM 0 H VAL A 62 3.458 -4.251 0.896 1.00 0.00 H new ATOM 0 HA VAL A 62 1.992 -5.720 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 62 4.967 -5.821 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.120 -6.641 -2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.087 -7.686 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.349 -6.547 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.282 -4.221 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.518 -4.026 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.367 -3.504 -1.077 1.00 0.00 H new ATOM 919 N TRP A 63 2.327 -8.053 -0.228 1.00 0.00 N ATOM 920 CA TRP A 63 2.257 -9.332 0.471 1.00 0.00 C ATOM 921 C TRP A 63 3.516 -10.155 0.226 1.00 0.00 C ATOM 922 O TRP A 63 4.033 -10.199 -0.890 1.00 0.00 O ATOM 923 CB TRP A 63 1.024 -10.117 0.020 1.00 0.00 C ATOM 924 CG TRP A 63 1.060 -11.561 0.420 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.315 -12.629 -0.391 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.831 -12.093 1.729 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.259 -13.795 0.335 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.964 -13.493 1.638 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.528 -11.525 2.969 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.804 -14.328 2.740 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.369 -12.355 4.061 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.508 -13.745 3.942 1.00 0.00 C ATOM 0 H TRP A 63 1.980 -8.077 -1.187 1.00 0.00 H new ATOM 0 HA TRP A 63 2.179 -9.130 1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.132 -9.653 0.442 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.936 -10.050 -1.064 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.529 -12.567 -1.448 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.412 -14.733 -0.036 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.420 -10.455 3.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.910 -15.399 2.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.133 -11.926 5.024 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.379 -14.367 4.815 1.00 0.00 H new ATOM 943 N ASP A 64 4.006 -10.806 1.276 1.00 0.00 N ATOM 944 CA ASP A 64 5.205 -11.630 1.174 1.00 0.00 C ATOM 945 C ASP A 64 4.856 -13.112 1.276 1.00 0.00 C ATOM 946 O ASP A 64 4.530 -13.609 2.353 1.00 0.00 O ATOM 947 CB ASP A 64 6.204 -11.252 2.269 1.00 0.00 C ATOM 948 CG ASP A 64 6.447 -9.757 2.339 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.498 -8.988 2.078 1.00 0.00 O ATOM 950 OD2 ASP A 64 7.587 -9.356 2.656 1.00 0.00 O ATOM 0 H ASP A 64 3.591 -10.779 2.207 1.00 0.00 H new ATOM 0 HA ASP A 64 5.659 -11.448 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.833 -11.602 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.149 -11.763 2.087 1.00 0.00 H new ATOM 955 N GLU A 65 4.928 -13.810 0.147 1.00 0.00 N ATOM 956 CA GLU A 65 4.618 -15.235 0.110 1.00 0.00 C ATOM 957 C GLU A 65 5.748 -16.053 0.729 1.00 0.00 C ATOM 958 O GLU A 65 5.511 -17.085 1.358 1.00 0.00 O ATOM 959 CB GLU A 65 4.375 -15.689 -1.331 1.00 0.00 C ATOM 960 CG GLU A 65 4.234 -17.194 -1.479 1.00 0.00 C ATOM 961 CD GLU A 65 5.571 -17.910 -1.459 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.500 -17.452 -2.157 1.00 0.00 O ATOM 963 OE2 GLU A 65 5.688 -18.928 -0.745 1.00 0.00 O ATOM 0 H GLU A 65 5.198 -13.413 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 65 3.712 -15.400 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.471 -15.209 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.201 -15.347 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.609 -17.578 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.721 -17.417 -2.414 1.00 0.00 H new ATOM 970 N THR A 66 6.979 -15.586 0.545 1.00 0.00 N ATOM 971 CA THR A 66 8.146 -16.274 1.083 1.00 0.00 C ATOM 972 C THR A 66 8.202 -16.157 2.601 1.00 0.00 C ATOM 973 O THR A 66 8.601 -17.095 3.291 1.00 0.00 O ATOM 974 CB THR A 66 9.452 -15.715 0.488 1.00 0.00 C ATOM 975 OG1 THR A 66 9.504 -14.295 0.669 1.00 0.00 O ATOM 976 CG2 THR A 66 9.557 -16.045 -0.994 1.00 0.00 C ATOM 0 H THR A 66 7.194 -14.734 0.027 1.00 0.00 H new ATOM 0 HA THR A 66 8.049 -17.324 0.806 1.00 0.00 H new ATOM 0 HB THR A 66 10.290 -16.179 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.338 -13.947 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.487 -15.640 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.546 -17.127 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.713 -15.605 -1.525 1.00 0.00 H new ATOM 984 N SER A 67 7.798 -15.001 3.117 1.00 0.00 N ATOM 985 CA SER A 67 7.805 -14.760 4.555 1.00 0.00 C ATOM 986 C SER A 67 6.405 -14.917 5.139 1.00 0.00 C ATOM 987 O SER A 67 6.240 -15.106 6.343 1.00 0.00 O ATOM 988 CB SER A 67 8.342 -13.360 4.857 1.00 0.00 C ATOM 989 OG SER A 67 9.745 -13.299 4.664 1.00 0.00 O ATOM 0 H SER A 67 7.461 -14.216 2.560 1.00 0.00 H new ATOM 0 HA SER A 67 8.458 -15.499 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.851 -12.632 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.101 -13.089 5.885 1.00 0.00 H new ATOM 0 HG SER A 67 10.063 -12.394 4.862 1.00 0.00 H new ATOM 995 N ASN A 68 5.398 -14.837 4.275 1.00 0.00 N ATOM 996 CA ASN A 68 4.010 -14.969 4.704 1.00 0.00 C ATOM 997 C ASN A 68 3.599 -13.794 5.586 1.00 0.00 C ATOM 998 O ASN A 68 2.956 -13.974 6.620 1.00 0.00 O ATOM 999 CB ASN A 68 3.812 -16.284 5.462 1.00 0.00 C ATOM 1000 CG ASN A 68 2.359 -16.714 5.502 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.678 -16.548 6.514 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.876 -17.272 4.398 1.00 0.00 N ATOM 0 H ASN A 68 5.517 -14.681 3.274 1.00 0.00 H new ATOM 0 HA ASN A 68 3.379 -14.971 3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.407 -17.066 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.183 -16.173 6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.905 -17.582 4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.476 -17.390 3.582 1.00 0.00 H new ATOM 1009 N LYS A 69 3.974 -12.589 5.169 1.00 0.00 N ATOM 1010 CA LYS A 69 3.643 -11.383 5.918 1.00 0.00 C ATOM 1011 C LYS A 69 3.532 -10.179 4.988 1.00 0.00 C ATOM 1012 O LYS A 69 4.095 -10.173 3.893 1.00 0.00 O ATOM 1013 CB LYS A 69 4.702 -11.117 6.990 1.00 0.00 C ATOM 1014 CG LYS A 69 6.094 -10.888 6.426 1.00 0.00 C ATOM 1015 CD LYS A 69 7.057 -10.403 7.497 1.00 0.00 C ATOM 1016 CE LYS A 69 7.057 -8.886 7.600 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.173 -8.389 8.453 1.00 0.00 N ATOM 0 H LYS A 69 4.508 -12.422 4.316 1.00 0.00 H new ATOM 0 HA LYS A 69 2.678 -11.538 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.407 -10.244 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.732 -11.963 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.468 -11.815 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.045 -10.155 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.780 -10.834 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.064 -10.753 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.142 -8.454 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.106 -8.550 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.025 -7.382 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.199 -8.931 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.075 -8.507 7.949 1.00 0.00 H new ATOM 1031 N VAL A 70 2.805 -9.159 5.432 1.00 0.00 N ATOM 1032 CA VAL A 70 2.622 -7.948 4.641 1.00 0.00 C ATOM 1033 C VAL A 70 3.637 -6.879 5.031 1.00 0.00 C ATOM 1034 O VAL A 70 4.104 -6.837 6.169 1.00 0.00 O ATOM 1035 CB VAL A 70 1.202 -7.377 4.807 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.160 -8.419 4.432 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.988 -6.887 6.232 1.00 0.00 C ATOM 0 H VAL A 70 2.333 -9.147 6.336 1.00 0.00 H new ATOM 0 HA VAL A 70 2.773 -8.226 3.598 1.00 0.00 H new ATOM 0 HB VAL A 70 1.090 -6.527 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.837 -7.997 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.301 -8.718 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.268 -9.290 5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.021 -6.487 6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.119 -7.717 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.713 -6.106 6.461 1.00 0.00 H new ATOM 1047 N ARG A 71 3.973 -6.015 4.079 1.00 0.00 N ATOM 1048 CA ARG A 71 4.933 -4.945 4.323 1.00 0.00 C ATOM 1049 C ARG A 71 4.262 -3.578 4.220 1.00 0.00 C ATOM 1050 O ARG A 71 3.126 -3.467 3.761 1.00 0.00 O ATOM 1051 CB ARG A 71 6.091 -5.033 3.326 1.00 0.00 C ATOM 1052 CG ARG A 71 6.925 -6.295 3.471 1.00 0.00 C ATOM 1053 CD ARG A 71 7.627 -6.347 4.819 1.00 0.00 C ATOM 1054 NE ARG A 71 8.576 -5.249 4.985 1.00 0.00 N ATOM 1055 CZ ARG A 71 8.927 -4.753 6.166 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.410 -5.254 7.279 1.00 0.00 N ATOM 1057 NH2 ARG A 71 9.797 -3.754 6.235 1.00 0.00 N ATOM 0 H ARG A 71 3.595 -6.035 3.132 1.00 0.00 H new ATOM 0 HA ARG A 71 5.323 -5.064 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.691 -4.986 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.737 -4.164 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.285 -7.170 3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.665 -6.337 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.885 -6.308 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.151 -7.297 4.918 1.00 0.00 H new ATOM 0 HE ARG A 71 8.992 -4.841 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.741 -6.022 7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.681 -4.871 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.197 -3.366 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.066 -3.374 7.142 1.00 0.00 H new ATOM 1071 N ASN A 72 4.973 -2.542 4.652 1.00 0.00 N ATOM 1072 CA ASN A 72 4.446 -1.182 4.610 1.00 0.00 C ATOM 1073 C ASN A 72 5.416 -0.245 3.897 1.00 0.00 C ATOM 1074 O ASN A 72 6.535 -0.022 4.360 1.00 0.00 O ATOM 1075 CB ASN A 72 4.176 -0.674 6.027 1.00 0.00 C ATOM 1076 CG ASN A 72 5.115 -1.285 7.049 1.00 0.00 C ATOM 1077 OD1 ASN A 72 6.188 -0.747 7.323 1.00 0.00 O ATOM 1078 ND2 ASN A 72 4.715 -2.415 7.619 1.00 0.00 N ATOM 0 H ASN A 72 5.915 -2.618 5.035 1.00 0.00 H new ATOM 0 HA ASN A 72 3.509 -1.198 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.278 0.411 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.146 -0.902 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.305 -2.872 8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.818 -2.826 7.362 1.00 0.00 H new ATOM 1085 N TYR A 73 4.979 0.303 2.768 1.00 0.00 N ATOM 1086 CA TYR A 73 5.808 1.215 1.990 1.00 0.00 C ATOM 1087 C TYR A 73 5.191 2.610 1.947 1.00 0.00 C ATOM 1088 O TYR A 73 4.320 2.890 1.123 1.00 0.00 O ATOM 1089 CB TYR A 73 5.994 0.683 0.568 1.00 0.00 C ATOM 1090 CG TYR A 73 6.799 -0.595 0.500 1.00 0.00 C ATOM 1091 CD1 TYR A 73 6.185 -1.834 0.637 1.00 0.00 C ATOM 1092 CD2 TYR A 73 8.174 -0.564 0.301 1.00 0.00 C ATOM 1093 CE1 TYR A 73 6.917 -3.005 0.576 1.00 0.00 C ATOM 1094 CE2 TYR A 73 8.913 -1.729 0.237 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.280 -2.947 0.375 1.00 0.00 C ATOM 1096 OH TYR A 73 9.014 -4.109 0.314 1.00 0.00 O ATOM 0 H TYR A 73 4.055 0.131 2.372 1.00 0.00 H new ATOM 0 HA TYR A 73 6.782 1.283 2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.014 0.509 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.487 1.446 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.118 -1.883 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.673 0.388 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.424 -3.960 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.981 -1.687 0.080 1.00 0.00 H new ATOM 0 HH TYR A 73 9.945 -3.921 0.556 1.00 0.00 H new ATOM 1106 N ARG A 74 5.650 3.481 2.840 1.00 0.00 N ATOM 1107 CA ARG A 74 5.144 4.846 2.905 1.00 0.00 C ATOM 1108 C ARG A 74 5.307 5.551 1.562 1.00 0.00 C ATOM 1109 O ARG A 74 6.421 5.696 1.057 1.00 0.00 O ATOM 1110 CB ARG A 74 5.872 5.631 3.997 1.00 0.00 C ATOM 1111 CG ARG A 74 5.024 6.720 4.634 1.00 0.00 C ATOM 1112 CD ARG A 74 5.095 8.016 3.842 1.00 0.00 C ATOM 1113 NE ARG A 74 4.312 9.081 4.463 1.00 0.00 N ATOM 1114 CZ ARG A 74 3.004 9.231 4.285 1.00 0.00 C ATOM 1115 NH1 ARG A 74 2.337 8.388 3.509 1.00 0.00 N ATOM 1116 NH2 ARG A 74 2.362 10.225 4.884 1.00 0.00 N ATOM 0 H ARG A 74 6.371 3.265 3.528 1.00 0.00 H new ATOM 0 HA ARG A 74 4.082 4.802 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.201 4.939 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.768 6.083 3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.988 6.386 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.364 6.897 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.135 8.333 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.731 7.842 2.829 1.00 0.00 H new ATOM 0 HE ARG A 74 4.796 9.746 5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.828 7.622 3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.333 8.505 3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.872 10.875 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.358 10.340 4.747 1.00 0.00 H new ATOM 1130 N ILE A 75 4.190 5.987 0.989 1.00 0.00 N ATOM 1131 CA ILE A 75 4.210 6.677 -0.295 1.00 0.00 C ATOM 1132 C ILE A 75 4.333 8.186 -0.106 1.00 0.00 C ATOM 1133 O ILE A 75 3.332 8.887 0.041 1.00 0.00 O ATOM 1134 CB ILE A 75 2.942 6.376 -1.116 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.810 4.870 -1.356 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.976 7.128 -2.438 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.443 4.455 -1.853 1.00 0.00 C ATOM 0 H ILE A 75 3.260 5.875 1.393 1.00 0.00 H new ATOM 0 HA ILE A 75 5.080 6.308 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 75 2.072 6.713 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.561 4.559 -2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.026 4.342 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.073 6.905 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.028 8.200 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.851 6.819 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.422 3.375 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.688 4.735 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.232 4.955 -2.798 1.00 0.00 H new ATOM 1149 N PHE A 76 5.567 8.679 -0.114 1.00 0.00 N ATOM 1150 CA PHE A 76 5.822 10.104 0.055 1.00 0.00 C ATOM 1151 C PHE A 76 5.427 10.880 -1.198 1.00 0.00 C ATOM 1152 O PHE A 76 5.137 10.291 -2.239 1.00 0.00 O ATOM 1153 CB PHE A 76 7.299 10.346 0.374 1.00 0.00 C ATOM 1154 CG PHE A 76 7.752 9.690 1.646 1.00 0.00 C ATOM 1155 CD1 PHE A 76 8.101 8.349 1.664 1.00 0.00 C ATOM 1156 CD2 PHE A 76 7.831 10.415 2.825 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.518 7.744 2.835 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.248 9.814 3.998 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.592 8.477 4.002 1.00 0.00 C ATOM 0 H PHE A 76 6.406 8.112 -0.236 1.00 0.00 H new ATOM 0 HA PHE A 76 5.215 10.459 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.906 9.977 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.476 11.419 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.047 7.770 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.564 11.461 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.786 6.698 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.305 10.390 4.910 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.919 8.005 4.917 1.00 0.00 H new ATOM 1169 N GLU A 77 5.417 12.205 -1.089 1.00 0.00 N ATOM 1170 CA GLU A 77 5.056 13.061 -2.213 1.00 0.00 C ATOM 1171 C GLU A 77 6.086 14.171 -2.404 1.00 0.00 C ATOM 1172 O GLU A 77 6.009 15.222 -1.767 1.00 0.00 O ATOM 1173 CB GLU A 77 3.669 13.669 -1.994 1.00 0.00 C ATOM 1174 CG GLU A 77 3.144 14.435 -3.197 1.00 0.00 C ATOM 1175 CD GLU A 77 2.150 15.514 -2.813 1.00 0.00 C ATOM 1176 OE1 GLU A 77 2.488 16.356 -1.957 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.032 15.514 -3.370 1.00 0.00 O ATOM 0 H GLU A 77 5.655 12.709 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 77 5.038 12.447 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.967 12.873 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.707 14.339 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.981 14.889 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.669 13.738 -3.888 1.00 0.00 H new ATOM 1184 N LYS A 78 7.050 13.929 -3.285 1.00 0.00 N ATOM 1185 CA LYS A 78 8.096 14.907 -3.563 1.00 0.00 C ATOM 1186 C LYS A 78 8.155 15.233 -5.051 1.00 0.00 C ATOM 1187 O LYS A 78 8.011 14.350 -5.896 1.00 0.00 O ATOM 1188 CB LYS A 78 9.453 14.379 -3.092 1.00 0.00 C ATOM 1189 CG LYS A 78 10.636 15.076 -3.743 1.00 0.00 C ATOM 1190 CD LYS A 78 11.957 14.555 -3.202 1.00 0.00 C ATOM 1191 CE LYS A 78 12.330 15.235 -1.894 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.536 14.620 -1.274 1.00 0.00 N ATOM 0 H LYS A 78 7.129 13.064 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 78 7.858 15.821 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.523 14.496 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.511 13.311 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.599 14.926 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.568 16.150 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.889 13.478 -3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.744 14.722 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.515 16.294 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.492 15.171 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.758 15.111 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.352 13.615 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.342 14.703 -1.926 1.00 0.00 H new ATOM 1206 N ASP A 79 8.368 16.506 -5.365 1.00 0.00 N ATOM 1207 CA ASP A 79 8.449 16.949 -6.752 1.00 0.00 C ATOM 1208 C ASP A 79 7.272 16.413 -7.563 1.00 0.00 C ATOM 1209 O ASP A 79 7.370 16.240 -8.777 1.00 0.00 O ATOM 1210 CB ASP A 79 9.766 16.492 -7.380 1.00 0.00 C ATOM 1211 CG ASP A 79 10.229 17.414 -8.491 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.449 18.612 -8.215 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.369 16.939 -9.638 1.00 0.00 O ATOM 0 H ASP A 79 8.488 17.250 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 79 8.409 18.038 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.535 16.443 -6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.646 15.483 -7.775 1.00 0.00 H new ATOM 1218 N SER A 80 6.161 16.152 -6.882 1.00 0.00 N ATOM 1219 CA SER A 80 4.967 15.631 -7.537 1.00 0.00 C ATOM 1220 C SER A 80 5.216 14.229 -8.085 1.00 0.00 C ATOM 1221 O SER A 80 4.707 13.864 -9.145 1.00 0.00 O ATOM 1222 CB SER A 80 4.533 16.564 -8.670 1.00 0.00 C ATOM 1223 OG SER A 80 3.134 16.491 -8.882 1.00 0.00 O ATOM 0 H SER A 80 6.063 16.293 -5.877 1.00 0.00 H new ATOM 0 HA SER A 80 4.170 15.576 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.815 17.589 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.058 16.296 -9.587 1.00 0.00 H new ATOM 0 HG SER A 80 2.881 17.097 -9.609 1.00 0.00 H new ATOM 1229 N LYS A 81 6.004 13.447 -7.356 1.00 0.00 N ATOM 1230 CA LYS A 81 6.322 12.084 -7.766 1.00 0.00 C ATOM 1231 C LYS A 81 6.364 11.149 -6.561 1.00 0.00 C ATOM 1232 O LYS A 81 7.179 11.324 -5.655 1.00 0.00 O ATOM 1233 CB LYS A 81 7.666 12.050 -8.498 1.00 0.00 C ATOM 1234 CG LYS A 81 7.790 13.098 -9.590 1.00 0.00 C ATOM 1235 CD LYS A 81 8.691 12.624 -10.718 1.00 0.00 C ATOM 1236 CE LYS A 81 8.923 13.722 -11.745 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.214 13.166 -13.095 1.00 0.00 N ATOM 0 H LYS A 81 6.435 13.734 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 81 5.538 11.742 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.468 12.195 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.807 11.062 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.802 13.331 -9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.189 14.020 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.648 12.299 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.242 11.758 -11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.042 14.362 -11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.754 14.350 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.366 13.946 -13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.069 12.576 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.410 12.587 -13.413 1.00 0.00 H new ATOM 1251 N PHE A 82 5.481 10.156 -6.558 1.00 0.00 N ATOM 1252 CA PHE A 82 5.418 9.193 -5.465 1.00 0.00 C ATOM 1253 C PHE A 82 6.728 8.421 -5.344 1.00 0.00 C ATOM 1254 O PHE A 82 7.183 7.794 -6.301 1.00 0.00 O ATOM 1255 CB PHE A 82 4.257 8.219 -5.681 1.00 0.00 C ATOM 1256 CG PHE A 82 2.981 8.892 -6.097 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.336 9.773 -5.244 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.425 8.643 -7.342 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.161 10.392 -5.624 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.250 9.260 -7.728 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.617 10.137 -6.868 1.00 0.00 C ATOM 0 H PHE A 82 4.799 9.997 -7.300 1.00 0.00 H new ATOM 0 HA PHE A 82 5.254 9.743 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.540 7.492 -6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.082 7.664 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.757 9.978 -4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.916 7.959 -8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.668 11.075 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.827 9.057 -8.701 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.300 10.622 -7.168 1.00 0.00 H new ATOM 1271 N TYR A 83 7.330 8.471 -4.161 1.00 0.00 N ATOM 1272 CA TYR A 83 8.590 7.779 -3.914 1.00 0.00 C ATOM 1273 C TYR A 83 8.572 7.083 -2.556 1.00 0.00 C ATOM 1274 O TYR A 83 7.895 7.525 -1.627 1.00 0.00 O ATOM 1275 CB TYR A 83 9.758 8.765 -3.979 1.00 0.00 C ATOM 1276 CG TYR A 83 9.894 9.626 -2.743 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.625 9.189 -1.646 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.290 10.875 -2.673 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.751 9.972 -0.514 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.412 11.665 -1.547 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.143 11.210 -0.470 1.00 0.00 C ATOM 1282 OH TYR A 83 10.266 11.993 0.654 1.00 0.00 O ATOM 0 H TYR A 83 6.966 8.984 -3.358 1.00 0.00 H new ATOM 0 HA TYR A 83 8.718 7.022 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.684 8.209 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.630 9.410 -4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.103 8.221 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.715 11.234 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.322 9.617 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.937 12.634 -1.510 1.00 0.00 H new ATOM 0 HH TYR A 83 9.626 11.694 1.333 1.00 0.00 H new ATOM 1292 N LEU A 84 9.322 5.992 -2.449 1.00 0.00 N ATOM 1293 CA LEU A 84 9.395 5.233 -1.205 1.00 0.00 C ATOM 1294 C LEU A 84 10.770 5.374 -0.561 1.00 0.00 C ATOM 1295 O LEU A 84 10.893 5.399 0.663 1.00 0.00 O ATOM 1296 CB LEU A 84 9.090 3.757 -1.467 1.00 0.00 C ATOM 1297 CG LEU A 84 7.943 3.470 -2.437 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.809 1.974 -2.677 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.639 4.047 -1.907 1.00 0.00 C ATOM 0 H LEU A 84 9.888 5.613 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 84 8.650 5.635 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.993 3.283 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.862 3.279 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 84 8.168 3.951 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.988 1.789 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.736 1.589 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.607 1.471 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.834 3.833 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.407 3.596 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.740 5.126 -1.788 1.00 0.00 H new ATOM 1311 N GLU A 85 11.802 5.467 -1.395 1.00 0.00 N ATOM 1312 CA GLU A 85 13.168 5.606 -0.905 1.00 0.00 C ATOM 1313 C GLU A 85 13.580 7.075 -0.854 1.00 0.00 C ATOM 1314 O GLU A 85 14.055 7.562 0.171 1.00 0.00 O ATOM 1315 CB GLU A 85 14.135 4.824 -1.797 1.00 0.00 C ATOM 1316 CG GLU A 85 14.145 5.293 -3.242 1.00 0.00 C ATOM 1317 CD GLU A 85 14.639 4.225 -4.199 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.851 3.928 -4.182 1.00 0.00 O ATOM 1319 OE2 GLU A 85 13.811 3.687 -4.964 1.00 0.00 O ATOM 0 H GLU A 85 11.718 5.449 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 85 13.208 5.200 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.142 4.910 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.868 3.767 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.138 5.595 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.779 6.175 -3.329 1.00 0.00 H new ATOM 1326 N GLY A 86 13.396 7.774 -1.970 1.00 0.00 N ATOM 1327 CA GLY A 86 13.754 9.179 -2.032 1.00 0.00 C ATOM 1328 C GLY A 86 14.191 9.605 -3.420 1.00 0.00 C ATOM 1329 O GLY A 86 13.363 9.757 -4.318 1.00 0.00 O ATOM 0 H GLY A 86 13.006 7.393 -2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.901 9.782 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.559 9.377 -1.324 1.00 0.00 H new ATOM 1333 N GLU A 87 15.494 9.800 -3.595 1.00 0.00 N ATOM 1334 CA GLU A 87 16.038 10.214 -4.883 1.00 0.00 C ATOM 1335 C GLU A 87 15.242 9.600 -6.031 1.00 0.00 C ATOM 1336 O GLU A 87 15.013 10.243 -7.056 1.00 0.00 O ATOM 1337 CB GLU A 87 17.509 9.810 -4.994 1.00 0.00 C ATOM 1338 CG GLU A 87 17.735 8.309 -4.931 1.00 0.00 C ATOM 1339 CD GLU A 87 19.139 7.948 -4.485 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.708 8.692 -3.659 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.668 6.923 -4.962 1.00 0.00 O ATOM 0 H GLU A 87 16.192 9.678 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 87 15.961 11.299 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.911 10.190 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.070 10.287 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.014 7.865 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.547 7.876 -5.913 1.00 0.00 H new ATOM 1348 N VAL A 88 14.824 8.351 -5.853 1.00 0.00 N ATOM 1349 CA VAL A 88 14.054 7.650 -6.873 1.00 0.00 C ATOM 1350 C VAL A 88 12.558 7.874 -6.684 1.00 0.00 C ATOM 1351 O VAL A 88 11.955 7.357 -5.742 1.00 0.00 O ATOM 1352 CB VAL A 88 14.341 6.137 -6.852 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.523 5.422 -7.917 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.827 5.874 -7.044 1.00 0.00 C ATOM 0 H VAL A 88 15.006 7.804 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 88 14.361 8.058 -7.836 1.00 0.00 H new ATOM 0 HB VAL A 88 14.048 5.744 -5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.740 4.354 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.461 5.582 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.781 5.816 -8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.012 4.800 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.148 6.282 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.388 6.352 -6.241 1.00 0.00 H new ATOM 1364 N LEU A 89 11.963 8.649 -7.584 1.00 0.00 N ATOM 1365 CA LEU A 89 10.536 8.942 -7.518 1.00 0.00 C ATOM 1366 C LEU A 89 9.834 8.531 -8.809 1.00 0.00 C ATOM 1367 O LEU A 89 10.473 8.069 -9.754 1.00 0.00 O ATOM 1368 CB LEU A 89 10.313 10.432 -7.255 1.00 0.00 C ATOM 1369 CG LEU A 89 11.342 11.116 -6.353 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.478 11.693 -7.182 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.681 12.204 -5.520 1.00 0.00 C ATOM 0 H LEU A 89 12.447 9.086 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 89 10.110 8.366 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.297 10.951 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.327 10.558 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 89 11.757 10.369 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.200 12.176 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.969 10.892 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.080 12.426 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.428 12.680 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.238 12.950 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.902 11.763 -4.897 1.00 0.00 H new ATOM 1383 N PHE A 90 8.517 8.706 -8.842 1.00 0.00 N ATOM 1384 CA PHE A 90 7.729 8.355 -10.018 1.00 0.00 C ATOM 1385 C PHE A 90 6.560 9.319 -10.196 1.00 0.00 C ATOM 1386 O PHE A 90 5.647 9.366 -9.372 1.00 0.00 O ATOM 1387 CB PHE A 90 7.208 6.921 -9.899 1.00 0.00 C ATOM 1388 CG PHE A 90 8.299 5.896 -9.770 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.863 5.320 -10.897 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.760 5.508 -8.522 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.867 4.377 -10.783 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.763 4.566 -8.402 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.317 3.999 -9.533 1.00 0.00 C ATOM 0 H PHE A 90 7.973 9.089 -8.068 1.00 0.00 H new ATOM 0 HA PHE A 90 8.375 8.429 -10.893 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.551 6.852 -9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.604 6.688 -10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.514 5.612 -11.877 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.330 5.947 -7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.299 3.937 -11.670 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.114 4.273 -7.424 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.101 3.262 -9.440 1.00 0.00 H new ATOM 1403 N VAL A 91 6.596 10.088 -11.280 1.00 0.00 N ATOM 1404 CA VAL A 91 5.540 11.052 -11.569 1.00 0.00 C ATOM 1405 C VAL A 91 4.179 10.523 -11.130 1.00 0.00 C ATOM 1406 O VAL A 91 3.311 11.288 -10.710 1.00 0.00 O ATOM 1407 CB VAL A 91 5.487 11.393 -13.070 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.703 10.335 -13.831 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.881 12.773 -13.281 1.00 0.00 C ATOM 0 H VAL A 91 7.345 10.062 -11.972 1.00 0.00 H new ATOM 0 HA VAL A 91 5.774 11.956 -11.007 1.00 0.00 H new ATOM 0 HB VAL A 91 6.505 11.405 -13.459 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.676 10.593 -14.890 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.185 9.365 -13.706 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.685 10.287 -13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.851 12.998 -14.347 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.869 12.791 -12.878 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.489 13.519 -12.770 1.00 0.00 H new ATOM 1419 N SER A 92 4.000 9.210 -11.232 1.00 0.00 N ATOM 1420 CA SER A 92 2.742 8.579 -10.849 1.00 0.00 C ATOM 1421 C SER A 92 2.981 7.166 -10.326 1.00 0.00 C ATOM 1422 O SER A 92 4.038 6.577 -10.554 1.00 0.00 O ATOM 1423 CB SER A 92 1.784 8.538 -12.041 1.00 0.00 C ATOM 1424 OG SER A 92 2.207 7.588 -13.003 1.00 0.00 O ATOM 0 H SER A 92 4.709 8.563 -11.576 1.00 0.00 H new ATOM 0 HA SER A 92 2.294 9.172 -10.052 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.780 8.289 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.728 9.525 -12.500 1.00 0.00 H new ATOM 0 HG SER A 92 1.577 7.580 -13.754 1.00 0.00 H new ATOM 1430 N VAL A 93 1.991 6.627 -9.622 1.00 0.00 N ATOM 1431 CA VAL A 93 2.091 5.283 -9.066 1.00 0.00 C ATOM 1432 C VAL A 93 2.351 4.253 -10.160 1.00 0.00 C ATOM 1433 O VAL A 93 3.147 3.332 -9.983 1.00 0.00 O ATOM 1434 CB VAL A 93 0.811 4.893 -8.304 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.923 3.478 -7.758 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.535 5.885 -7.184 1.00 0.00 C ATOM 0 H VAL A 93 1.110 7.101 -9.423 1.00 0.00 H new ATOM 0 HA VAL A 93 2.931 5.291 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.028 4.922 -9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.009 3.221 -7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.069 2.780 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.772 3.417 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.373 5.594 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.374 5.890 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.406 6.882 -7.605 1.00 0.00 H new ATOM 1446 N GLY A 94 1.674 4.418 -11.292 1.00 0.00 N ATOM 1447 CA GLY A 94 1.846 3.495 -12.400 1.00 0.00 C ATOM 1448 C GLY A 94 3.305 3.239 -12.720 1.00 0.00 C ATOM 1449 O GLY A 94 3.778 2.106 -12.627 1.00 0.00 O ATOM 0 H GLY A 94 1.010 5.173 -11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.359 2.550 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.348 3.896 -13.283 1.00 0.00 H new ATOM 1453 N SER A 95 4.020 4.293 -13.099 1.00 0.00 N ATOM 1454 CA SER A 95 5.434 4.176 -13.439 1.00 0.00 C ATOM 1455 C SER A 95 6.187 3.392 -12.369 1.00 0.00 C ATOM 1456 O SER A 95 6.868 2.411 -12.666 1.00 0.00 O ATOM 1457 CB SER A 95 6.057 5.563 -13.605 1.00 0.00 C ATOM 1458 OG SER A 95 7.108 5.540 -14.555 1.00 0.00 O ATOM 0 H SER A 95 3.644 5.238 -13.179 1.00 0.00 H new ATOM 0 HA SER A 95 5.512 3.636 -14.382 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.293 6.273 -13.921 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.438 5.911 -12.645 1.00 0.00 H new ATOM 0 HG SER A 95 7.488 6.439 -14.644 1.00 0.00 H new ATOM 1464 N MET A 96 6.059 3.834 -11.122 1.00 0.00 N ATOM 1465 CA MET A 96 6.727 3.173 -10.006 1.00 0.00 C ATOM 1466 C MET A 96 6.504 1.665 -10.055 1.00 0.00 C ATOM 1467 O MET A 96 7.455 0.885 -10.000 1.00 0.00 O ATOM 1468 CB MET A 96 6.218 3.733 -8.676 1.00 0.00 C ATOM 1469 CG MET A 96 6.895 3.121 -7.460 1.00 0.00 C ATOM 1470 SD MET A 96 6.426 3.934 -5.921 1.00 0.00 S ATOM 1471 CE MET A 96 4.686 3.519 -5.836 1.00 0.00 C ATOM 0 H MET A 96 5.500 4.646 -10.859 1.00 0.00 H new ATOM 0 HA MET A 96 7.796 3.367 -10.088 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.372 4.812 -8.663 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.143 3.563 -8.607 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.639 2.063 -7.400 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.976 3.180 -7.583 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.310 3.730 -4.835 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.134 4.114 -6.564 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.553 2.460 -6.058 1.00 0.00 H new ATOM 1481 N VAL A 97 5.242 1.260 -10.158 1.00 0.00 N ATOM 1482 CA VAL A 97 4.895 -0.155 -10.215 1.00 0.00 C ATOM 1483 C VAL A 97 5.674 -0.867 -11.315 1.00 0.00 C ATOM 1484 O VAL A 97 6.266 -1.921 -11.086 1.00 0.00 O ATOM 1485 CB VAL A 97 3.387 -0.353 -10.458 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.029 -1.831 -10.409 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.576 0.434 -9.440 1.00 0.00 C ATOM 0 H VAL A 97 4.443 1.892 -10.204 1.00 0.00 H new ATOM 0 HA VAL A 97 5.159 -0.586 -9.249 1.00 0.00 H new ATOM 0 HB VAL A 97 3.144 0.023 -11.452 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.960 -1.952 -10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.585 -2.366 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.286 -2.235 -9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.513 0.283 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.821 0.090 -8.435 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.812 1.494 -9.528 1.00 0.00 H new ATOM 1497 N GLU A 98 5.669 -0.284 -12.510 1.00 0.00 N ATOM 1498 CA GLU A 98 6.375 -0.865 -13.646 1.00 0.00 C ATOM 1499 C GLU A 98 7.870 -0.977 -13.357 1.00 0.00 C ATOM 1500 O GLU A 98 8.527 -1.924 -13.790 1.00 0.00 O ATOM 1501 CB GLU A 98 6.149 -0.020 -14.901 1.00 0.00 C ATOM 1502 CG GLU A 98 4.777 0.632 -14.957 1.00 0.00 C ATOM 1503 CD GLU A 98 4.274 0.811 -16.376 1.00 0.00 C ATOM 1504 OE1 GLU A 98 5.044 1.322 -17.218 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.112 0.442 -16.646 1.00 0.00 O ATOM 0 H GLU A 98 5.184 0.589 -12.716 1.00 0.00 H new ATOM 0 HA GLU A 98 5.979 -1.866 -13.815 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.913 0.756 -14.949 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.279 -0.650 -15.781 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.066 0.023 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.820 1.604 -14.465 1.00 0.00 H new ATOM 1512 N HIS A 99 8.400 -0.003 -12.625 1.00 0.00 N ATOM 1513 CA HIS A 99 9.817 0.008 -12.278 1.00 0.00 C ATOM 1514 C HIS A 99 10.150 -1.129 -11.318 1.00 0.00 C ATOM 1515 O HIS A 99 11.141 -1.838 -11.499 1.00 0.00 O ATOM 1516 CB HIS A 99 10.199 1.349 -11.651 1.00 0.00 C ATOM 1517 CG HIS A 99 11.390 1.269 -10.747 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.486 0.954 -9.434 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.676 1.534 -11.170 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.813 1.032 -9.092 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.510 1.383 -10.157 1.00 0.00 N flip ATOM 0 H HIS A 99 7.870 0.789 -12.261 1.00 0.00 H new ATOM 0 HA HIS A 99 10.391 -0.134 -13.194 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.403 2.067 -12.445 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.349 1.732 -11.086 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.715 0.705 -8.814 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.957 1.820 -12.173 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.221 0.838 -8.111 1.00 0.00 H new ATOM 1530 N TYR A 100 9.318 -1.298 -10.296 1.00 0.00 N ATOM 1531 CA TYR A 100 9.526 -2.347 -9.306 1.00 0.00 C ATOM 1532 C TYR A 100 9.406 -3.728 -9.942 1.00 0.00 C ATOM 1533 O TYR A 100 10.133 -4.656 -9.582 1.00 0.00 O ATOM 1534 CB TYR A 100 8.516 -2.209 -8.165 1.00 0.00 C ATOM 1535 CG TYR A 100 8.799 -1.043 -7.244 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.095 -0.756 -6.834 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.770 -0.231 -6.783 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.358 0.308 -5.991 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.024 0.835 -5.942 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.319 1.100 -5.549 1.00 0.00 C ATOM 1541 OH TYR A 100 9.576 2.160 -4.710 1.00 0.00 O ATOM 0 H TYR A 100 8.493 -0.721 -10.132 1.00 0.00 H new ATOM 0 HA TYR A 100 10.534 -2.238 -8.905 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.517 -2.094 -8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.512 -3.130 -7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.910 -1.374 -7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.754 -0.437 -7.087 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.371 0.518 -5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.213 1.457 -5.594 1.00 0.00 H new ATOM 0 HH TYR A 100 10.279 1.911 -4.074 1.00 0.00 H new ATOM 1551 N HIS A 101 8.484 -3.858 -10.890 1.00 0.00 N ATOM 1552 CA HIS A 101 8.268 -5.125 -11.579 1.00 0.00 C ATOM 1553 C HIS A 101 9.597 -5.806 -11.894 1.00 0.00 C ATOM 1554 O HIS A 101 9.665 -7.028 -12.028 1.00 0.00 O ATOM 1555 CB HIS A 101 7.478 -4.901 -12.868 1.00 0.00 C ATOM 1556 CG HIS A 101 5.993 -4.955 -12.679 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.122 -5.357 -13.669 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.227 -4.657 -11.604 1.00 0.00 C ATOM 1559 CE1 HIS A 101 3.884 -5.302 -13.212 1.00 0.00 C ATOM 1560 NE2 HIS A 101 3.920 -4.880 -11.961 1.00 0.00 N ATOM 0 H HIS A 101 7.874 -3.101 -11.199 1.00 0.00 H new ATOM 0 HA HIS A 101 7.694 -5.776 -10.919 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.748 -3.931 -13.285 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.770 -5.655 -13.599 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.578 -4.309 -10.644 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.994 -5.558 -13.767 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.109 -4.742 -11.358 1.00 0.00 H new ATOM 1569 N THR A 102 10.652 -5.006 -12.012 1.00 0.00 N ATOM 1570 CA THR A 102 11.978 -5.530 -12.313 1.00 0.00 C ATOM 1571 C THR A 102 12.946 -5.272 -11.164 1.00 0.00 C ATOM 1572 O THR A 102 13.952 -5.966 -11.018 1.00 0.00 O ATOM 1573 CB THR A 102 12.550 -4.907 -13.600 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.739 -3.499 -13.421 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.621 -5.152 -14.780 1.00 0.00 C ATOM 0 H THR A 102 10.614 -3.993 -11.904 1.00 0.00 H new ATOM 0 HA THR A 102 11.867 -6.605 -12.456 1.00 0.00 H new ATOM 0 HB THR A 102 13.510 -5.379 -13.809 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.227 -3.197 -12.642 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.046 -4.703 -15.677 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.502 -6.225 -14.933 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.648 -4.704 -14.576 1.00 0.00 H new ATOM 1583 N HIS A 103 12.635 -4.269 -10.349 1.00 0.00 N ATOM 1584 CA HIS A 103 13.477 -3.920 -9.210 1.00 0.00 C ATOM 1585 C HIS A 103 12.746 -4.173 -7.895 1.00 0.00 C ATOM 1586 O HIS A 103 11.878 -3.397 -7.496 1.00 0.00 O ATOM 1587 CB HIS A 103 13.904 -2.454 -9.295 1.00 0.00 C ATOM 1588 CG HIS A 103 15.127 -2.234 -10.132 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.116 -1.334 -9.796 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.518 -2.804 -11.296 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.062 -1.360 -10.718 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.723 -2.244 -11.639 1.00 0.00 N ATOM 0 H HIS A 103 11.806 -3.684 -10.456 1.00 0.00 H new ATOM 0 HA HIS A 103 14.364 -4.552 -9.239 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.082 -1.868 -9.706 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.090 -2.079 -8.288 1.00 0.00 H new ATOM 0 HD2 HIS A 103 14.981 -3.559 -11.851 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.960 -0.760 -10.719 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.268 -2.473 -12.470 1.00 0.00 H new ATOM 1601 N VAL A 104 13.103 -5.265 -7.227 1.00 0.00 N ATOM 1602 CA VAL A 104 12.481 -5.621 -5.957 1.00 0.00 C ATOM 1603 C VAL A 104 12.310 -4.396 -5.066 1.00 0.00 C ATOM 1604 O VAL A 104 13.033 -3.408 -5.205 1.00 0.00 O ATOM 1605 CB VAL A 104 13.310 -6.679 -5.203 1.00 0.00 C ATOM 1606 CG1 VAL A 104 12.622 -7.069 -3.904 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.541 -7.899 -6.081 1.00 0.00 C ATOM 0 H VAL A 104 13.819 -5.918 -7.544 1.00 0.00 H new ATOM 0 HA VAL A 104 11.501 -6.036 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 104 14.281 -6.248 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.222 -7.817 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.513 -6.188 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.637 -7.482 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 104 14.128 -8.636 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.581 -8.334 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 104 14.080 -7.603 -6.981 1.00 0.00 H new ATOM 1617 N LEU A 105 11.351 -4.467 -4.150 1.00 0.00 N ATOM 1618 CA LEU A 105 11.085 -3.363 -3.234 1.00 0.00 C ATOM 1619 C LEU A 105 12.076 -3.366 -2.075 1.00 0.00 C ATOM 1620 O LEU A 105 12.657 -4.393 -1.726 1.00 0.00 O ATOM 1621 CB LEU A 105 9.655 -3.452 -2.698 1.00 0.00 C ATOM 1622 CG LEU A 105 8.598 -3.953 -3.684 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.476 -4.668 -2.947 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.047 -2.797 -4.507 1.00 0.00 C ATOM 0 H LEU A 105 10.745 -5.277 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 105 11.202 -2.430 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.654 -4.111 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.357 -2.463 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 105 9.069 -4.664 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.734 -5.017 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.883 -5.520 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.006 -3.980 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.296 -3.171 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.592 -2.062 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.858 -2.329 -5.065 1.00 0.00 H new ATOM 1636 N PRO A 106 12.272 -2.189 -1.461 1.00 0.00 N ATOM 1637 CA PRO A 106 13.190 -2.031 -0.329 1.00 0.00 C ATOM 1638 C PRO A 106 12.679 -2.716 0.933 1.00 0.00 C ATOM 1639 O PRO A 106 11.477 -2.933 1.089 1.00 0.00 O ATOM 1640 CB PRO A 106 13.248 -0.514 -0.129 1.00 0.00 C ATOM 1641 CG PRO A 106 11.959 -0.010 -0.681 1.00 0.00 C ATOM 1642 CD PRO A 106 11.612 -0.924 -1.823 1.00 0.00 C ATOM 0 HA PRO A 106 14.161 -2.487 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.355 -0.257 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.100 -0.078 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.178 -0.021 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.057 1.021 -1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.534 -1.048 -1.925 1.00 0.00 H new ATOM 0 HD3 PRO A 106 11.979 -0.537 -2.773 1.00 0.00 H new ATOM 1650 N SER A 107 13.598 -3.053 1.832 1.00 0.00 N ATOM 1651 CA SER A 107 13.239 -3.717 3.080 1.00 0.00 C ATOM 1652 C SER A 107 12.896 -5.183 2.837 1.00 0.00 C ATOM 1653 O SER A 107 12.156 -5.796 3.607 1.00 0.00 O ATOM 1654 CB SER A 107 12.054 -3.006 3.738 1.00 0.00 C ATOM 1655 OG SER A 107 12.215 -1.599 3.694 1.00 0.00 O ATOM 0 H SER A 107 14.596 -2.877 1.720 1.00 0.00 H new ATOM 0 HA SER A 107 14.099 -3.670 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.131 -3.286 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.960 -3.332 4.774 1.00 0.00 H new ATOM 0 HG SER A 107 11.444 -1.168 4.119 1.00 0.00 H new ATOM 1661 N HIS A 108 13.440 -5.741 1.759 1.00 0.00 N ATOM 1662 CA HIS A 108 13.192 -7.136 1.413 1.00 0.00 C ATOM 1663 C HIS A 108 14.266 -7.659 0.464 1.00 0.00 C ATOM 1664 O HIS A 108 15.234 -6.960 0.162 1.00 0.00 O ATOM 1665 CB HIS A 108 11.812 -7.288 0.774 1.00 0.00 C ATOM 1666 CG HIS A 108 11.103 -8.546 1.169 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.171 -9.711 0.435 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.311 -8.819 2.232 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.449 -10.646 1.027 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.917 -10.130 2.120 1.00 0.00 N ATOM 0 H HIS A 108 14.055 -5.248 1.111 1.00 0.00 H new ATOM 0 HA HIS A 108 13.225 -7.724 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.197 -6.432 1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 108 11.919 -7.266 -0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.039 -8.134 3.021 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.317 -11.659 0.677 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.312 -10.625 2.775 1.00 0.00 H new ATOM 1679 N GLN A 109 14.088 -8.890 -0.003 1.00 0.00 N ATOM 1680 CA GLN A 109 15.043 -9.506 -0.917 1.00 0.00 C ATOM 1681 C GLN A 109 14.334 -10.086 -2.136 1.00 0.00 C ATOM 1682 O GLN A 109 14.763 -9.881 -3.271 1.00 0.00 O ATOM 1683 CB GLN A 109 15.831 -10.604 -0.200 1.00 0.00 C ATOM 1684 CG GLN A 109 14.951 -11.659 0.450 1.00 0.00 C ATOM 1685 CD GLN A 109 15.709 -12.523 1.439 1.00 0.00 C ATOM 1686 OE1 GLN A 109 16.853 -12.907 1.196 1.00 0.00 O ATOM 1687 NE2 GLN A 109 15.073 -12.833 2.563 1.00 0.00 N ATOM 0 H GLN A 109 13.292 -9.481 0.236 1.00 0.00 H new ATOM 0 HA GLN A 109 15.734 -8.734 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.496 -11.088 -0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.461 -10.148 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.122 -11.170 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.519 -12.293 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.125 -12.493 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.533 -13.411 3.266 1.00 0.00 H new ATOM 1696 N SER A 110 13.246 -10.810 -1.893 1.00 0.00 N ATOM 1697 CA SER A 110 12.479 -11.423 -2.971 1.00 0.00 C ATOM 1698 C SER A 110 11.008 -11.027 -2.885 1.00 0.00 C ATOM 1699 O SER A 110 10.124 -11.884 -2.847 1.00 0.00 O ATOM 1700 CB SER A 110 12.613 -12.946 -2.919 1.00 0.00 C ATOM 1701 OG SER A 110 12.260 -13.533 -4.159 1.00 0.00 O ATOM 0 H SER A 110 12.876 -10.986 -0.959 1.00 0.00 H new ATOM 0 HA SER A 110 12.879 -11.063 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.638 -13.215 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 110 11.974 -13.343 -2.130 1.00 0.00 H new ATOM 0 HG SER A 110 12.356 -14.506 -4.099 1.00 0.00 H new ATOM 1707 N LEU A 111 10.754 -9.724 -2.855 1.00 0.00 N ATOM 1708 CA LEU A 111 9.391 -9.212 -2.773 1.00 0.00 C ATOM 1709 C LEU A 111 9.127 -8.188 -3.872 1.00 0.00 C ATOM 1710 O LEU A 111 9.380 -6.995 -3.698 1.00 0.00 O ATOM 1711 CB LEU A 111 9.143 -8.581 -1.402 1.00 0.00 C ATOM 1712 CG LEU A 111 7.794 -7.885 -1.217 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.653 -8.861 -1.453 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.696 -7.272 0.172 1.00 0.00 C ATOM 0 H LEU A 111 11.474 -9.002 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 111 8.706 -10.049 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.235 -9.359 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.933 -7.855 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 111 7.717 -7.084 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.701 -8.348 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.713 -9.252 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.726 -9.685 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.729 -6.781 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.796 -8.055 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.493 -6.540 0.304 1.00 0.00 H new ATOM 1726 N LEU A 112 8.614 -8.661 -5.003 1.00 0.00 N ATOM 1727 CA LEU A 112 8.313 -7.786 -6.131 1.00 0.00 C ATOM 1728 C LEU A 112 6.809 -7.574 -6.269 1.00 0.00 C ATOM 1729 O LEU A 112 6.026 -8.044 -5.442 1.00 0.00 O ATOM 1730 CB LEU A 112 8.878 -8.376 -7.424 1.00 0.00 C ATOM 1731 CG LEU A 112 10.402 -8.405 -7.539 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.856 -9.630 -8.317 1.00 0.00 C ATOM 1733 CD2 LEU A 112 10.911 -7.132 -8.201 1.00 0.00 C ATOM 0 H LEU A 112 8.398 -9.645 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 112 8.782 -6.820 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.506 -9.396 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.481 -7.806 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 112 10.822 -8.462 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.944 -9.633 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.523 -10.532 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.427 -9.605 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.998 -7.170 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.482 -7.045 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.618 -6.269 -7.604 1.00 0.00 H new ATOM 1745 N LEU A 113 6.410 -6.866 -7.321 1.00 0.00 N ATOM 1746 CA LEU A 113 4.999 -6.594 -7.570 1.00 0.00 C ATOM 1747 C LEU A 113 4.491 -7.399 -8.762 1.00 0.00 C ATOM 1748 O LEU A 113 4.779 -7.070 -9.913 1.00 0.00 O ATOM 1749 CB LEU A 113 4.783 -5.100 -7.819 1.00 0.00 C ATOM 1750 CG LEU A 113 5.338 -4.155 -6.753 1.00 0.00 C ATOM 1751 CD1 LEU A 113 5.008 -2.711 -7.096 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.789 -4.518 -5.380 1.00 0.00 C ATOM 0 H LEU A 113 7.044 -6.470 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 113 4.435 -6.894 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.237 -4.842 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.712 -4.919 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 113 6.422 -4.262 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.411 -2.053 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.450 -2.456 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.926 -2.588 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.195 -3.835 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.702 -4.440 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.077 -5.540 -5.131 1.00 0.00 H new ATOM 1764 N ARG A 114 3.733 -8.453 -8.478 1.00 0.00 N ATOM 1765 CA ARG A 114 3.184 -9.304 -9.527 1.00 0.00 C ATOM 1766 C ARG A 114 1.754 -8.893 -9.867 1.00 0.00 C ATOM 1767 O ARG A 114 1.468 -8.473 -10.989 1.00 0.00 O ATOM 1768 CB ARG A 114 3.215 -10.770 -9.092 1.00 0.00 C ATOM 1769 CG ARG A 114 4.614 -11.362 -9.048 1.00 0.00 C ATOM 1770 CD ARG A 114 4.725 -12.451 -7.992 1.00 0.00 C ATOM 1771 NE ARG A 114 3.747 -13.516 -8.200 1.00 0.00 N ATOM 1772 CZ ARG A 114 3.945 -14.547 -9.014 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.079 -14.651 -9.693 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.007 -15.476 -9.150 1.00 0.00 N ATOM 0 H ARG A 114 3.485 -8.738 -7.531 1.00 0.00 H new ATOM 0 HA ARG A 114 3.800 -9.184 -10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.761 -10.857 -8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.603 -11.357 -9.777 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.867 -11.774 -10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.337 -10.574 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.730 -12.873 -8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.581 -12.014 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 114 2.864 -13.465 -7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.802 -13.938 -9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.229 -15.444 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.133 -15.399 -8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.160 -16.267 -9.775 1.00 0.00 H new ATOM 1788 N HIS A 115 0.860 -9.018 -8.892 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.540 -8.660 -9.088 1.00 0.00 C ATOM 1790 C HIS A 115 -1.045 -7.793 -7.939 1.00 0.00 C ATOM 1791 O HIS A 115 -0.717 -8.012 -6.773 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.399 -9.920 -9.207 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.674 -11.083 -9.812 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.641 -11.327 -11.168 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.048 -12.073 -9.236 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.069 -12.416 -11.401 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.499 -12.888 -10.244 1.00 0.00 N ATOM 0 H HIS A 115 1.080 -9.364 -7.958 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.617 -8.088 -10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.757 -10.201 -8.217 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.278 -9.695 -9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.234 -12.198 -8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.265 -12.847 -12.372 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.073 -13.722 -10.120 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.863 -6.783 -8.274 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.430 -5.863 -7.284 1.00 0.00 C ATOM 1808 C PRO A 116 -3.468 -6.537 -6.393 1.00 0.00 C ATOM 1809 O PRO A 116 -3.776 -7.716 -6.566 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.086 -4.779 -8.143 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.390 -5.453 -9.437 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.296 -6.463 -9.644 1.00 0.00 C ATOM 0 HA PRO A 116 -1.672 -5.483 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.992 -4.396 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.418 -3.930 -8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.367 -5.936 -9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.417 -4.733 -10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.659 -7.347 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.479 -6.054 -10.238 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.004 -5.781 -5.442 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.006 -6.307 -4.522 1.00 0.00 C ATOM 1822 C TYR A 117 -6.404 -6.207 -5.125 1.00 0.00 C ATOM 1823 O TYR A 117 -6.691 -5.305 -5.911 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.956 -5.550 -3.194 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.271 -5.550 -2.447 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.839 -6.737 -2.000 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.946 -4.363 -2.189 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -8.041 -6.741 -1.318 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -8.147 -4.358 -1.507 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.691 -5.549 -1.074 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.887 -5.550 -0.394 1.00 0.00 O ATOM 0 H TYR A 117 -3.762 -4.802 -5.288 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.782 -7.358 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.188 -5.994 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.656 -4.520 -3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.333 -7.672 -2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.524 -3.428 -2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.469 -7.672 -0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.658 -3.426 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.213 -4.630 -0.304 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.272 -7.142 -4.750 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.629 -7.143 -5.261 1.00 0.00 C ATOM 1843 C GLY A 118 -8.709 -7.633 -6.694 1.00 0.00 C ATOM 1844 O GLY A 118 -9.549 -8.471 -7.024 1.00 0.00 O ATOM 0 H GLY A 118 -7.058 -7.899 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.252 -7.776 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.037 -6.134 -5.202 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.835 -7.109 -7.546 1.00 0.00 N ATOM 1849 CA TYR A 119 -7.813 -7.496 -8.951 1.00 0.00 C ATOM 1850 C TYR A 119 -7.769 -9.014 -9.098 1.00 0.00 C ATOM 1851 O TYR A 119 -7.664 -9.743 -8.112 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.608 -6.870 -9.655 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.700 -6.907 -11.164 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.452 -5.967 -11.857 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.034 -7.883 -11.896 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.540 -5.999 -13.235 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.116 -7.921 -13.274 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.870 -6.977 -13.940 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.954 -7.011 -15.313 1.00 0.00 O ATOM 0 H TYR A 119 -7.133 -6.415 -7.288 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.728 -7.130 -9.416 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.507 -5.834 -9.331 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.704 -7.392 -9.342 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.977 -5.198 -11.309 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.443 -8.624 -11.379 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.131 -5.262 -13.758 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.592 -8.686 -13.828 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.423 -7.761 -15.655 1.00 0.00 H new