USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 66 LYS NZ :NH3+ 135:sc= 0.0856 (180deg=0) USER MOD Set 1.2: A 70 ASN : amide:sc= 0.0707 K(o=0.16,f=-2.4!) USER MOD Single : A 17 THR OG1 : rot 76:sc= 0.636 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.024) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 25 TYR OH : rot -170:sc= -0.826 USER MOD Single : A 27 CYS SG : rot 52:sc= 0.822 USER MOD Single : A 29 CYS SG : rot -3:sc= 0.595 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.118) USER MOD Single : A 47 MET CE :methyl -176:sc= -5.71! (180deg=-5.82!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.39 K(o=-1.4,f=-1.9) USER MOD Single : A 67 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-8!) USER MOD Single : A 71 TYR OH : rot 9:sc= -1.85! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.00148 X(o=-0.0015,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.382) USER MOD Single : A 87 SER OG : rot 45:sc= 0.683 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.669 27.296 -5.233 1.00 0.00 N ATOM 133 CA VAL A 13 10.203 26.186 -4.455 1.00 0.00 C ATOM 134 C VAL A 13 9.345 25.915 -3.223 1.00 0.00 C ATOM 135 O VAL A 13 9.260 24.783 -2.750 1.00 0.00 O ATOM 136 CB VAL A 13 11.651 26.457 -4.009 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.745 27.786 -3.276 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.161 25.321 -3.135 1.00 0.00 C ATOM 0 HA VAL A 13 10.189 25.310 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 13 12.281 26.514 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.776 27.960 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.423 28.590 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.103 27.762 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.186 25.529 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.530 25.230 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.133 24.388 -3.698 1.00 0.00 H new ATOM 148 N GLU A 14 8.712 26.965 -2.708 1.00 0.00 N ATOM 149 CA GLU A 14 7.861 26.841 -1.530 1.00 0.00 C ATOM 150 C GLU A 14 6.607 26.031 -1.848 1.00 0.00 C ATOM 151 O GLU A 14 6.354 24.993 -1.236 1.00 0.00 O ATOM 152 CB GLU A 14 7.470 28.225 -1.007 1.00 0.00 C ATOM 153 CG GLU A 14 7.196 28.256 0.487 1.00 0.00 C ATOM 154 CD GLU A 14 8.458 28.439 1.307 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.881 29.598 1.495 1.00 0.00 O ATOM 156 OE2 GLU A 14 9.022 27.421 1.761 1.00 0.00 O ATOM 0 H GLU A 14 8.772 27.910 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 14 8.425 26.316 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.269 28.930 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.582 28.567 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.502 29.067 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.707 27.328 0.782 1.00 0.00 H new ATOM 163 N ILE A 15 5.826 26.515 -2.808 1.00 0.00 N ATOM 164 CA ILE A 15 4.599 25.837 -3.207 1.00 0.00 C ATOM 165 C ILE A 15 4.869 24.380 -3.568 1.00 0.00 C ATOM 166 O ILE A 15 4.037 23.506 -3.322 1.00 0.00 O ATOM 167 CB ILE A 15 3.935 26.537 -4.408 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.432 26.243 -4.429 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.586 26.090 -5.708 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.723 26.811 -5.639 1.00 0.00 C ATOM 0 H ILE A 15 6.021 27.373 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 15 3.923 25.878 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 15 4.075 27.613 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.280 25.164 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.977 26.651 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.106 26.593 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.646 26.344 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.474 25.012 -5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.662 26.565 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.844 27.894 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.152 26.384 -6.546 1.00 0.00 H new ATOM 182 N GLU A 16 6.036 24.126 -4.150 1.00 0.00 N ATOM 183 CA GLU A 16 6.415 22.774 -4.543 1.00 0.00 C ATOM 184 C GLU A 16 6.693 21.909 -3.316 1.00 0.00 C ATOM 185 O GLU A 16 6.312 20.738 -3.268 1.00 0.00 O ATOM 186 CB GLU A 16 7.649 22.808 -5.446 1.00 0.00 C ATOM 187 CG GLU A 16 7.440 23.592 -6.732 1.00 0.00 C ATOM 188 CD GLU A 16 6.927 22.725 -7.866 1.00 0.00 C ATOM 189 OE1 GLU A 16 6.104 21.826 -7.599 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.350 22.948 -9.020 1.00 0.00 O ATOM 0 H GLU A 16 6.735 24.838 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 16 5.583 22.337 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.481 23.246 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.935 21.786 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.733 24.401 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.382 24.053 -7.029 1.00 0.00 H new ATOM 197 N THR A 17 7.360 22.492 -2.326 1.00 0.00 N ATOM 198 CA THR A 17 7.692 21.777 -1.100 1.00 0.00 C ATOM 199 C THR A 17 6.437 21.445 -0.301 1.00 0.00 C ATOM 200 O THR A 17 6.376 20.422 0.380 1.00 0.00 O ATOM 201 CB THR A 17 8.650 22.593 -0.215 1.00 0.00 C ATOM 202 OG1 THR A 17 9.933 22.696 -0.844 1.00 0.00 O ATOM 203 CG2 THR A 17 8.803 21.948 1.155 1.00 0.00 C ATOM 0 H THR A 17 7.682 23.460 -2.349 1.00 0.00 H new ATOM 0 HA THR A 17 8.185 20.852 -1.398 1.00 0.00 H new ATOM 0 HB THR A 17 8.228 23.590 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.891 23.356 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.485 22.543 1.763 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.830 21.898 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.204 20.941 1.040 1.00 0.00 H new ATOM 211 N LEU A 18 5.437 22.315 -0.391 1.00 0.00 N ATOM 212 CA LEU A 18 4.182 22.114 0.324 1.00 0.00 C ATOM 213 C LEU A 18 3.462 20.866 -0.179 1.00 0.00 C ATOM 214 O LEU A 18 2.994 20.047 0.610 1.00 0.00 O ATOM 215 CB LEU A 18 3.279 23.338 0.162 1.00 0.00 C ATOM 216 CG LEU A 18 3.516 24.482 1.148 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.576 25.641 0.857 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.342 23.998 2.579 1.00 0.00 C ATOM 0 H LEU A 18 5.471 23.166 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 18 4.412 21.977 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.403 23.725 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.242 23.014 0.254 1.00 0.00 H new ATOM 0 HG LEU A 18 4.541 24.833 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.759 26.446 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.750 26.005 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.543 25.304 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.515 24.826 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.329 23.619 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.058 23.202 2.783 1.00 0.00 H new ATOM 230 N ARG A 19 3.380 20.729 -1.499 1.00 0.00 N ATOM 231 CA ARG A 19 2.719 19.581 -2.107 1.00 0.00 C ATOM 232 C ARG A 19 3.454 18.287 -1.768 1.00 0.00 C ATOM 233 O ARG A 19 2.850 17.217 -1.699 1.00 0.00 O ATOM 234 CB ARG A 19 2.644 19.754 -3.626 1.00 0.00 C ATOM 235 CG ARG A 19 1.855 20.978 -4.061 1.00 0.00 C ATOM 236 CD ARG A 19 2.094 21.303 -5.526 1.00 0.00 C ATOM 237 NE ARG A 19 1.327 22.468 -5.961 1.00 0.00 N ATOM 238 CZ ARG A 19 1.047 22.730 -7.233 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.467 21.914 -8.190 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.344 23.810 -7.549 1.00 0.00 N ATOM 0 H ARG A 19 3.763 21.398 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 19 1.708 19.521 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.656 19.823 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.189 18.865 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.792 20.805 -3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.139 21.832 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.156 21.487 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.823 20.442 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 19 0.988 23.115 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.007 21.082 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.250 22.118 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.018 24.439 -6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.129 24.011 -8.526 1.00 0.00 H new ATOM 254 N LYS A 20 4.761 18.393 -1.558 1.00 0.00 N ATOM 255 CA LYS A 20 5.580 17.234 -1.225 1.00 0.00 C ATOM 256 C LYS A 20 5.222 16.693 0.156 1.00 0.00 C ATOM 257 O LYS A 20 4.906 15.513 0.311 1.00 0.00 O ATOM 258 CB LYS A 20 7.064 17.601 -1.271 1.00 0.00 C ATOM 259 CG LYS A 20 7.961 16.459 -1.717 1.00 0.00 C ATOM 260 CD LYS A 20 9.318 16.516 -1.037 1.00 0.00 C ATOM 261 CE LYS A 20 10.394 15.850 -1.881 1.00 0.00 C ATOM 262 NZ LYS A 20 10.105 14.407 -2.110 1.00 0.00 N ATOM 0 H LYS A 20 5.277 19.271 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 20 5.382 16.457 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.200 18.444 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.378 17.933 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.480 15.508 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.093 16.500 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.590 17.555 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.260 16.025 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.472 16.362 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.360 15.953 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.916 13.962 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.939 13.937 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.259 14.313 -2.707 1.00 0.00 H new ATOM 276 N THR A 21 5.271 17.565 1.159 1.00 0.00 N ATOM 277 CA THR A 21 4.952 17.175 2.527 1.00 0.00 C ATOM 278 C THR A 21 3.609 16.458 2.594 1.00 0.00 C ATOM 279 O THR A 21 3.488 15.401 3.213 1.00 0.00 O ATOM 280 CB THR A 21 4.918 18.396 3.465 1.00 0.00 C ATOM 281 OG1 THR A 21 6.041 19.246 3.204 1.00 0.00 O ATOM 282 CG2 THR A 21 4.935 17.959 4.922 1.00 0.00 C ATOM 0 H THR A 21 5.529 18.546 1.049 1.00 0.00 H new ATOM 0 HA THR A 21 5.739 16.497 2.855 1.00 0.00 H new ATOM 0 HB THR A 21 3.996 18.945 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.011 20.021 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.910 18.838 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.064 17.336 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.843 17.389 5.120 1.00 0.00 H new ATOM 290 N VAL A 22 2.599 17.041 1.955 1.00 0.00 N ATOM 291 CA VAL A 22 1.263 16.457 1.941 1.00 0.00 C ATOM 292 C VAL A 22 1.256 15.119 1.208 1.00 0.00 C ATOM 293 O VAL A 22 0.556 14.188 1.604 1.00 0.00 O ATOM 294 CB VAL A 22 0.245 17.400 1.275 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.171 16.876 1.462 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.379 18.809 1.836 1.00 0.00 C ATOM 0 H VAL A 22 2.681 17.918 1.440 1.00 0.00 H new ATOM 0 HA VAL A 22 0.975 16.300 2.981 1.00 0.00 H new ATOM 0 HB VAL A 22 0.455 17.437 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.877 17.556 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.256 15.888 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.396 16.808 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.348 19.463 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.196 18.792 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.385 19.182 1.645 1.00 0.00 H new ATOM 306 N GLU A 23 2.040 15.033 0.139 1.00 0.00 N ATOM 307 CA GLU A 23 2.123 13.809 -0.650 1.00 0.00 C ATOM 308 C GLU A 23 2.590 12.639 0.210 1.00 0.00 C ATOM 309 O GLU A 23 2.053 11.535 0.120 1.00 0.00 O ATOM 310 CB GLU A 23 3.077 14.001 -1.831 1.00 0.00 C ATOM 311 CG GLU A 23 2.389 14.490 -3.095 1.00 0.00 C ATOM 312 CD GLU A 23 3.335 14.575 -4.278 1.00 0.00 C ATOM 313 OE1 GLU A 23 4.256 13.736 -4.361 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.154 15.479 -5.119 1.00 0.00 O ATOM 0 H GLU A 23 2.627 15.795 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 23 1.127 13.583 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.851 14.715 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.576 13.055 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.566 13.818 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.954 15.472 -2.911 1.00 0.00 H new ATOM 321 N ASP A 24 3.593 12.888 1.044 1.00 0.00 N ATOM 322 CA ASP A 24 4.133 11.855 1.922 1.00 0.00 C ATOM 323 C ASP A 24 3.140 11.506 3.025 1.00 0.00 C ATOM 324 O ASP A 24 2.921 10.334 3.329 1.00 0.00 O ATOM 325 CB ASP A 24 5.455 12.318 2.535 1.00 0.00 C ATOM 326 CG ASP A 24 6.399 11.165 2.815 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.296 10.567 3.906 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.240 10.862 1.943 1.00 0.00 O ATOM 0 H ASP A 24 4.049 13.796 1.131 1.00 0.00 H new ATOM 0 HA ASP A 24 4.312 10.961 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.938 13.023 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.254 12.853 3.463 1.00 0.00 H new ATOM 333 N TYR A 25 2.542 12.532 3.621 1.00 0.00 N ATOM 334 CA TYR A 25 1.574 12.334 4.695 1.00 0.00 C ATOM 335 C TYR A 25 0.533 11.291 4.303 1.00 0.00 C ATOM 336 O TYR A 25 0.407 10.250 4.948 1.00 0.00 O ATOM 337 CB TYR A 25 0.885 13.655 5.038 1.00 0.00 C ATOM 338 CG TYR A 25 0.396 13.730 6.466 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.283 13.941 7.516 1.00 0.00 C ATOM 340 CD2 TYR A 25 -0.954 13.588 6.768 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.840 14.009 8.822 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.404 13.655 8.072 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.504 13.865 9.095 1.00 0.00 C ATOM 344 OH TYR A 25 -0.950 13.932 10.396 1.00 0.00 O ATOM 0 H TYR A 25 2.710 13.509 3.379 1.00 0.00 H new ATOM 0 HA TYR A 25 2.111 11.974 5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.580 14.475 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.040 13.799 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.336 14.054 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.662 13.423 5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.542 14.174 9.626 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.456 13.543 8.289 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.889 13.656 10.434 1.00 0.00 H new ATOM 354 N PHE A 26 -0.211 11.576 3.239 1.00 0.00 N ATOM 355 CA PHE A 26 -1.243 10.664 2.760 1.00 0.00 C ATOM 356 C PHE A 26 -0.732 9.226 2.744 1.00 0.00 C ATOM 357 O PHE A 26 -1.484 8.286 3.005 1.00 0.00 O ATOM 358 CB PHE A 26 -1.702 11.070 1.358 1.00 0.00 C ATOM 359 CG PHE A 26 -2.475 12.357 1.330 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.459 12.610 2.272 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.218 13.315 0.362 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.172 13.794 2.250 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.928 14.500 0.333 1.00 0.00 C ATOM 364 CZ PHE A 26 -3.907 14.739 1.278 1.00 0.00 C ATOM 0 H PHE A 26 -0.118 12.432 2.692 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.091 10.723 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.829 11.166 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.321 10.275 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.671 11.873 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.453 13.133 -0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.935 13.980 2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.718 15.238 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.465 15.664 1.257 1.00 0.00 H new ATOM 374 N CYS A 27 0.549 9.063 2.435 1.00 0.00 N ATOM 375 CA CYS A 27 1.162 7.741 2.383 1.00 0.00 C ATOM 376 C CYS A 27 1.246 7.125 3.776 1.00 0.00 C ATOM 377 O CYS A 27 1.011 5.929 3.952 1.00 0.00 O ATOM 378 CB CYS A 27 2.557 7.826 1.766 1.00 0.00 C ATOM 379 SG CYS A 27 2.618 8.723 0.197 1.00 0.00 S ATOM 0 H CYS A 27 1.184 9.831 2.216 1.00 0.00 H new ATOM 0 HA CYS A 27 0.536 7.103 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.227 8.311 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.935 6.816 1.609 1.00 0.00 H new ATOM 0 HG CYS A 27 2.049 9.883 0.338 1.00 0.00 H new ATOM 385 N PHE A 28 1.581 7.950 4.762 1.00 0.00 N ATOM 386 CA PHE A 28 1.698 7.485 6.140 1.00 0.00 C ATOM 387 C PHE A 28 0.359 6.968 6.656 1.00 0.00 C ATOM 388 O PHE A 28 0.256 5.831 7.117 1.00 0.00 O ATOM 389 CB PHE A 28 2.201 8.616 7.040 1.00 0.00 C ATOM 390 CG PHE A 28 1.765 8.482 8.471 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.398 7.591 9.322 1.00 0.00 C ATOM 392 CD2 PHE A 28 0.722 9.248 8.966 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.000 7.465 10.639 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.319 9.127 10.283 1.00 0.00 C ATOM 395 CZ PHE A 28 0.958 8.234 11.119 1.00 0.00 C ATOM 0 H PHE A 28 1.776 8.943 4.633 1.00 0.00 H new ATOM 0 HA PHE A 28 2.416 6.665 6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.290 8.643 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.844 9.568 6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.213 6.987 8.951 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.218 9.948 8.316 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.503 6.767 11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.495 9.731 10.657 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.644 8.137 12.148 1.00 0.00 H new ATOM 405 N CYS A 29 -0.666 7.810 6.573 1.00 0.00 N ATOM 406 CA CYS A 29 -1.999 7.439 7.033 1.00 0.00 C ATOM 407 C CYS A 29 -2.525 6.234 6.260 1.00 0.00 C ATOM 408 O CYS A 29 -3.217 5.381 6.815 1.00 0.00 O ATOM 409 CB CYS A 29 -2.961 8.619 6.877 1.00 0.00 C ATOM 410 SG CYS A 29 -2.529 10.060 7.880 1.00 0.00 S ATOM 0 H CYS A 29 -0.599 8.754 6.192 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.931 7.170 8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.989 8.915 5.828 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.966 8.292 7.143 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.485 9.787 8.605 1.00 0.00 H new ATOM 416 N TYR A 30 -2.193 6.170 4.975 1.00 0.00 N ATOM 417 CA TYR A 30 -2.634 5.071 4.125 1.00 0.00 C ATOM 418 C TYR A 30 -1.967 3.763 4.536 1.00 0.00 C ATOM 419 O TYR A 30 -2.640 2.789 4.872 1.00 0.00 O ATOM 420 CB TYR A 30 -2.323 5.377 2.658 1.00 0.00 C ATOM 421 CG TYR A 30 -2.865 4.345 1.696 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.178 3.899 1.793 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.066 3.814 0.692 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.678 2.955 0.917 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.558 2.871 -0.189 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.864 2.445 -0.073 1.00 0.00 C ATOM 427 OH TYR A 30 -4.358 1.504 -0.948 1.00 0.00 O ATOM 0 H TYR A 30 -1.620 6.867 4.499 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.712 4.961 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.738 6.352 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.243 5.447 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.818 4.297 2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.042 4.144 0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.700 2.618 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.923 2.469 -0.965 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.658 1.249 -1.584 1.00 0.00 H new ATOM 437 N GLY A 31 -0.638 3.748 4.506 1.00 0.00 N ATOM 438 CA GLY A 31 0.099 2.555 4.878 1.00 0.00 C ATOM 439 C GLY A 31 -0.099 2.181 6.334 1.00 0.00 C ATOM 440 O GLY A 31 0.015 1.012 6.703 1.00 0.00 O ATOM 0 H GLY A 31 -0.059 4.541 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.217 1.725 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.161 2.714 4.688 1.00 0.00 H new ATOM 444 N LYS A 32 -0.395 3.175 7.163 1.00 0.00 N ATOM 445 CA LYS A 32 -0.610 2.945 8.587 1.00 0.00 C ATOM 446 C LYS A 32 -1.894 2.157 8.824 1.00 0.00 C ATOM 447 O LYS A 32 -1.926 1.235 9.638 1.00 0.00 O ATOM 448 CB LYS A 32 -0.673 4.279 9.335 1.00 0.00 C ATOM 449 CG LYS A 32 -1.447 4.208 10.640 1.00 0.00 C ATOM 450 CD LYS A 32 -2.922 4.510 10.430 1.00 0.00 C ATOM 451 CE LYS A 32 -3.540 5.152 11.662 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.444 6.637 11.619 1.00 0.00 N ATOM 0 H LYS A 32 -0.492 4.148 6.874 1.00 0.00 H new ATOM 0 HA LYS A 32 0.229 2.361 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.342 4.618 9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.133 5.027 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.336 3.215 11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.027 4.918 11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.040 5.174 9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.453 3.588 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.587 4.858 11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.038 4.781 12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.876 7.038 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.444 6.919 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.945 6.993 10.780 1.00 0.00 H new ATOM 466 N ALA A 33 -2.950 2.526 8.105 1.00 0.00 N ATOM 467 CA ALA A 33 -4.235 1.850 8.235 1.00 0.00 C ATOM 468 C ALA A 33 -4.188 0.457 7.616 1.00 0.00 C ATOM 469 O ALA A 33 -4.923 -0.442 8.026 1.00 0.00 O ATOM 470 CB ALA A 33 -5.335 2.680 7.589 1.00 0.00 C ATOM 0 H ALA A 33 -2.941 3.288 7.427 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.454 1.739 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.289 2.164 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.393 3.652 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.112 2.820 6.531 1.00 0.00 H new ATOM 476 N LEU A 34 -3.319 0.284 6.625 1.00 0.00 N ATOM 477 CA LEU A 34 -3.177 -1.001 5.948 1.00 0.00 C ATOM 478 C LEU A 34 -2.474 -2.014 6.846 1.00 0.00 C ATOM 479 O LEU A 34 -2.594 -3.222 6.646 1.00 0.00 O ATOM 480 CB LEU A 34 -2.396 -0.828 4.644 1.00 0.00 C ATOM 481 CG LEU A 34 -3.228 -0.544 3.395 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.367 0.083 2.309 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.882 -1.822 2.888 1.00 0.00 C ATOM 0 H LEU A 34 -2.703 1.017 6.273 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.174 -1.377 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.685 -0.012 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.814 -1.733 4.470 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.014 0.163 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.978 0.278 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.947 1.020 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.558 -0.599 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.471 -1.601 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.111 -2.552 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.533 -2.229 3.662 1.00 0.00 H new ATOM 495 N GLY A 35 -1.744 -1.513 7.837 1.00 0.00 N ATOM 496 CA GLY A 35 -1.035 -2.388 8.752 1.00 0.00 C ATOM 497 C GLY A 35 0.300 -2.847 8.198 1.00 0.00 C ATOM 498 O GLY A 35 0.766 -3.943 8.511 1.00 0.00 O ATOM 0 H GLY A 35 -1.631 -0.516 8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.874 -1.868 9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.653 -3.259 8.970 1.00 0.00 H new ATOM 502 N LYS A 36 0.915 -2.008 7.373 1.00 0.00 N ATOM 503 CA LYS A 36 2.204 -2.332 6.773 1.00 0.00 C ATOM 504 C LYS A 36 3.352 -1.837 7.648 1.00 0.00 C ATOM 505 O LYS A 36 3.133 -1.139 8.639 1.00 0.00 O ATOM 506 CB LYS A 36 2.310 -1.715 5.376 1.00 0.00 C ATOM 507 CG LYS A 36 1.084 -1.951 4.513 1.00 0.00 C ATOM 508 CD LYS A 36 1.222 -3.214 3.679 1.00 0.00 C ATOM 509 CE LYS A 36 1.822 -2.917 2.314 1.00 0.00 C ATOM 510 NZ LYS A 36 1.961 -4.149 1.489 1.00 0.00 N ATOM 0 H LYS A 36 0.542 -1.098 7.104 1.00 0.00 H new ATOM 0 HA LYS A 36 2.275 -3.417 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.474 -0.642 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.184 -2.127 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.201 -2.028 5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.931 -1.095 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.851 -3.932 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.244 -3.678 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.193 -2.198 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.800 -2.452 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.374 -3.904 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.582 -4.826 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.025 -4.579 1.346 1.00 0.00 H new ATOM 524 N SER A 37 4.574 -2.201 7.274 1.00 0.00 N ATOM 525 CA SER A 37 5.756 -1.794 8.027 1.00 0.00 C ATOM 526 C SER A 37 6.425 -0.587 7.377 1.00 0.00 C ATOM 527 O SER A 37 7.395 -0.041 7.904 1.00 0.00 O ATOM 528 CB SER A 37 6.750 -2.953 8.121 1.00 0.00 C ATOM 529 OG SER A 37 7.532 -2.860 9.299 1.00 0.00 O ATOM 0 H SER A 37 4.772 -2.776 6.455 1.00 0.00 H new ATOM 0 HA SER A 37 5.438 -1.514 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.211 -3.900 8.113 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.401 -2.949 7.247 1.00 0.00 H new ATOM 0 HG SER A 37 8.158 -3.613 9.336 1.00 0.00 H new ATOM 535 N THR A 38 5.900 -0.174 6.227 1.00 0.00 N ATOM 536 CA THR A 38 6.446 0.966 5.503 1.00 0.00 C ATOM 537 C THR A 38 5.334 1.854 4.957 1.00 0.00 C ATOM 538 O THR A 38 4.168 1.459 4.927 1.00 0.00 O ATOM 539 CB THR A 38 7.346 0.515 4.338 1.00 0.00 C ATOM 540 OG1 THR A 38 6.560 -0.145 3.339 1.00 0.00 O ATOM 541 CG2 THR A 38 8.439 -0.422 4.830 1.00 0.00 C ATOM 0 H THR A 38 5.097 -0.613 5.777 1.00 0.00 H new ATOM 0 HA THR A 38 7.045 1.534 6.215 1.00 0.00 H new ATOM 0 HB THR A 38 7.814 1.400 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.139 -0.427 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.062 -0.727 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.053 0.092 5.569 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.986 -1.303 5.284 1.00 0.00 H new ATOM 549 N VAL A 39 5.700 3.056 4.524 1.00 0.00 N ATOM 550 CA VAL A 39 4.732 3.999 3.976 1.00 0.00 C ATOM 551 C VAL A 39 4.266 3.566 2.591 1.00 0.00 C ATOM 552 O VAL A 39 5.079 3.282 1.710 1.00 0.00 O ATOM 553 CB VAL A 39 5.323 5.419 3.886 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.190 6.138 5.219 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.776 5.365 3.443 1.00 0.00 C ATOM 0 H VAL A 39 6.660 3.400 4.542 1.00 0.00 H new ATOM 0 HA VAL A 39 3.880 4.009 4.656 1.00 0.00 H new ATOM 0 HB VAL A 39 4.761 5.980 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.613 7.139 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.137 6.210 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.725 5.581 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.177 6.377 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.355 4.786 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.840 4.893 2.463 1.00 0.00 H new ATOM 565 N VAL A 40 2.951 3.518 2.403 1.00 0.00 N ATOM 566 CA VAL A 40 2.375 3.121 1.124 1.00 0.00 C ATOM 567 C VAL A 40 1.816 4.325 0.375 1.00 0.00 C ATOM 568 O VAL A 40 1.092 5.151 0.931 1.00 0.00 O ATOM 569 CB VAL A 40 1.254 2.081 1.312 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.665 1.680 -0.033 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.776 0.863 2.059 1.00 0.00 C ATOM 0 H VAL A 40 2.264 3.749 3.121 1.00 0.00 H new ATOM 0 HA VAL A 40 3.180 2.675 0.539 1.00 0.00 H new ATOM 0 HB VAL A 40 0.461 2.532 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.125 0.945 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.251 2.560 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.446 1.248 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.970 0.139 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.588 0.409 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.144 1.167 3.039 1.00 0.00 H new ATOM 581 N PRO A 41 2.159 4.429 -0.918 1.00 0.00 N ATOM 582 CA PRO A 41 1.701 5.528 -1.772 1.00 0.00 C ATOM 583 C PRO A 41 0.209 5.447 -2.072 1.00 0.00 C ATOM 584 O PRO A 41 -0.279 4.436 -2.577 1.00 0.00 O ATOM 585 CB PRO A 41 2.516 5.344 -3.054 1.00 0.00 C ATOM 586 CG PRO A 41 2.857 3.895 -3.081 1.00 0.00 C ATOM 587 CD PRO A 41 3.019 3.481 -1.644 1.00 0.00 C ATOM 0 HA PRO A 41 1.842 6.499 -1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.940 5.632 -3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.414 5.962 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.070 3.318 -3.567 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.774 3.720 -3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.704 2.450 -1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.057 3.551 -1.320 1.00 0.00 H new ATOM 595 N VAL A 42 -0.513 6.519 -1.760 1.00 0.00 N ATOM 596 CA VAL A 42 -1.951 6.568 -1.998 1.00 0.00 C ATOM 597 C VAL A 42 -2.262 6.512 -3.489 1.00 0.00 C ATOM 598 O VAL A 42 -1.985 7.445 -4.243 1.00 0.00 O ATOM 599 CB VAL A 42 -2.574 7.845 -1.401 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.046 7.943 -1.774 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.396 7.869 0.109 1.00 0.00 C ATOM 0 H VAL A 42 -0.126 7.365 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.385 5.697 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.058 8.710 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.471 8.850 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.145 7.974 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.578 7.074 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.842 8.778 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.885 6.999 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.333 7.848 0.350 1.00 0.00 H new ATOM 611 N PRO A 43 -2.855 5.391 -3.928 1.00 0.00 N ATOM 612 CA PRO A 43 -3.219 5.186 -5.333 1.00 0.00 C ATOM 613 C PRO A 43 -4.372 6.082 -5.769 1.00 0.00 C ATOM 614 O PRO A 43 -5.517 5.641 -5.852 1.00 0.00 O ATOM 615 CB PRO A 43 -3.638 3.715 -5.379 1.00 0.00 C ATOM 616 CG PRO A 43 -4.076 3.401 -3.990 1.00 0.00 C ATOM 617 CD PRO A 43 -3.215 4.238 -3.086 1.00 0.00 C ATOM 0 HA PRO A 43 -2.398 5.431 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.445 3.556 -6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.809 3.077 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.131 3.636 -3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.954 2.340 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.754 4.547 -2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.332 3.692 -2.754 1.00 0.00 H new ATOM 625 N TYR A 44 -4.061 7.343 -6.050 1.00 0.00 N ATOM 626 CA TYR A 44 -5.072 8.303 -6.476 1.00 0.00 C ATOM 627 C TYR A 44 -5.958 7.712 -7.568 1.00 0.00 C ATOM 628 O TYR A 44 -7.116 7.370 -7.327 1.00 0.00 O ATOM 629 CB TYR A 44 -4.408 9.585 -6.982 1.00 0.00 C ATOM 630 CG TYR A 44 -3.484 10.226 -5.972 1.00 0.00 C ATOM 631 CD1 TYR A 44 -3.959 11.164 -5.062 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.135 9.895 -5.926 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.117 11.752 -4.138 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.287 10.477 -5.005 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.782 11.406 -4.113 1.00 0.00 C ATOM 636 OH TYR A 44 -0.941 11.990 -3.193 1.00 0.00 O ATOM 0 H TYR A 44 -3.117 7.724 -5.990 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.696 8.540 -5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.844 9.359 -7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.182 10.300 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.004 11.437 -5.078 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.743 9.169 -6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.502 12.479 -3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.242 10.207 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.034 11.636 -3.308 1.00 0.00 H new ATOM 646 N GLU A 45 -5.404 7.593 -8.771 1.00 0.00 N ATOM 647 CA GLU A 45 -6.144 7.043 -9.901 1.00 0.00 C ATOM 648 C GLU A 45 -7.180 6.027 -9.430 1.00 0.00 C ATOM 649 O GLU A 45 -8.314 6.012 -9.909 1.00 0.00 O ATOM 650 CB GLU A 45 -5.184 6.385 -10.895 1.00 0.00 C ATOM 651 CG GLU A 45 -4.714 5.004 -10.466 1.00 0.00 C ATOM 652 CD GLU A 45 -3.532 4.512 -11.276 1.00 0.00 C ATOM 653 OE1 GLU A 45 -3.700 4.285 -12.493 1.00 0.00 O ATOM 654 OE2 GLU A 45 -2.437 4.354 -10.695 1.00 0.00 O ATOM 0 H GLU A 45 -4.447 7.870 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.664 7.863 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.676 6.307 -11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.315 7.030 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.441 5.029 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.538 4.297 -10.566 1.00 0.00 H new ATOM 661 N LYS A 46 -6.783 5.178 -8.488 1.00 0.00 N ATOM 662 CA LYS A 46 -7.676 4.159 -7.949 1.00 0.00 C ATOM 663 C LYS A 46 -8.727 4.783 -7.036 1.00 0.00 C ATOM 664 O LYS A 46 -9.915 4.483 -7.145 1.00 0.00 O ATOM 665 CB LYS A 46 -6.877 3.105 -7.181 1.00 0.00 C ATOM 666 CG LYS A 46 -5.789 2.443 -8.008 1.00 0.00 C ATOM 667 CD LYS A 46 -5.486 1.039 -7.511 1.00 0.00 C ATOM 668 CE LYS A 46 -4.232 0.476 -8.161 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.007 0.801 -7.377 1.00 0.00 N ATOM 0 H LYS A 46 -5.847 5.176 -8.082 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.186 3.680 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.424 3.571 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.560 2.339 -6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.099 2.401 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.883 3.047 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.360 1.054 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.332 0.386 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.326 -0.606 -8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.135 0.877 -9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.201 0.263 -7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.808 1.819 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.156 0.548 -6.379 1.00 0.00 H new ATOM 683 N MET A 47 -8.279 5.653 -6.136 1.00 0.00 N ATOM 684 CA MET A 47 -9.182 6.321 -5.205 1.00 0.00 C ATOM 685 C MET A 47 -10.188 7.190 -5.953 1.00 0.00 C ATOM 686 O MET A 47 -11.395 7.096 -5.727 1.00 0.00 O ATOM 687 CB MET A 47 -8.387 7.175 -4.216 1.00 0.00 C ATOM 688 CG MET A 47 -7.710 6.366 -3.121 1.00 0.00 C ATOM 689 SD MET A 47 -7.060 7.400 -1.795 1.00 0.00 S ATOM 690 CE MET A 47 -8.576 8.039 -1.090 1.00 0.00 C ATOM 0 H MET A 47 -7.298 5.912 -6.032 1.00 0.00 H new ATOM 0 HA MET A 47 -9.729 5.556 -4.655 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.630 7.738 -4.762 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.056 7.903 -3.757 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.424 5.655 -2.705 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.897 5.784 -3.555 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.338 8.753 -0.302 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.157 8.536 -1.867 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.157 7.217 -0.672 1.00 0.00 H new ATOM 700 N LEU A 48 -9.683 8.038 -6.844 1.00 0.00 N ATOM 701 CA LEU A 48 -10.538 8.925 -7.625 1.00 0.00 C ATOM 702 C LEU A 48 -11.675 8.148 -8.281 1.00 0.00 C ATOM 703 O LEU A 48 -12.801 8.637 -8.374 1.00 0.00 O ATOM 704 CB LEU A 48 -9.715 9.647 -8.694 1.00 0.00 C ATOM 705 CG LEU A 48 -8.341 10.153 -8.255 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.681 10.943 -9.373 1.00 0.00 C ATOM 707 CD2 LEU A 48 -8.461 11.002 -6.998 1.00 0.00 C ATOM 0 H LEU A 48 -8.687 8.129 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.970 9.662 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.578 8.970 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.294 10.496 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.714 9.291 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.704 11.295 -9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.559 10.304 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.306 11.798 -9.633 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.473 11.353 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.106 11.858 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.890 10.404 -6.194 1.00 0.00 H new ATOM 719 N ARG A 49 -11.373 6.934 -8.731 1.00 0.00 N ATOM 720 CA ARG A 49 -12.370 6.089 -9.377 1.00 0.00 C ATOM 721 C ARG A 49 -13.112 5.241 -8.348 1.00 0.00 C ATOM 722 O ARG A 49 -14.264 4.861 -8.557 1.00 0.00 O ATOM 723 CB ARG A 49 -11.706 5.184 -10.417 1.00 0.00 C ATOM 724 CG ARG A 49 -11.352 3.804 -9.886 1.00 0.00 C ATOM 725 CD ARG A 49 -10.120 3.241 -10.578 1.00 0.00 C ATOM 726 NE ARG A 49 -10.465 2.478 -11.774 1.00 0.00 N ATOM 727 CZ ARG A 49 -9.566 2.029 -12.643 1.00 0.00 C ATOM 728 NH1 ARG A 49 -8.276 2.262 -12.449 1.00 0.00 N ATOM 729 NH2 ARG A 49 -9.959 1.341 -13.709 1.00 0.00 N ATOM 0 H ARG A 49 -10.446 6.514 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.091 6.737 -9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.374 5.075 -11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.800 5.667 -10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.174 3.861 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.195 3.129 -10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.452 4.058 -10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.575 2.601 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.449 2.279 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.970 2.788 -11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.589 1.916 -13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.951 1.157 -13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.269 0.996 -14.376 1.00 0.00 H new ATOM 743 N ASP A 50 -12.444 4.946 -7.239 1.00 0.00 N ATOM 744 CA ASP A 50 -13.039 4.143 -6.177 1.00 0.00 C ATOM 745 C ASP A 50 -12.783 4.772 -4.811 1.00 0.00 C ATOM 746 O ASP A 50 -12.019 4.239 -4.007 1.00 0.00 O ATOM 747 CB ASP A 50 -12.480 2.720 -6.210 1.00 0.00 C ATOM 748 CG ASP A 50 -13.467 1.698 -5.679 1.00 0.00 C ATOM 749 OD1 ASP A 50 -14.545 1.543 -6.288 1.00 0.00 O ATOM 750 OD2 ASP A 50 -13.160 1.054 -4.655 1.00 0.00 O ATOM 0 H ASP A 50 -11.489 5.251 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.116 4.106 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.210 2.462 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.565 2.678 -5.619 1.00 0.00 H new ATOM 755 N GLN A 51 -13.425 5.907 -4.558 1.00 0.00 N ATOM 756 CA GLN A 51 -13.265 6.609 -3.290 1.00 0.00 C ATOM 757 C GLN A 51 -13.673 5.720 -2.121 1.00 0.00 C ATOM 758 O GLN A 51 -13.015 5.705 -1.080 1.00 0.00 O ATOM 759 CB GLN A 51 -14.096 7.893 -3.284 1.00 0.00 C ATOM 760 CG GLN A 51 -13.823 8.799 -4.474 1.00 0.00 C ATOM 761 CD GLN A 51 -14.058 10.263 -4.157 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.927 10.605 -3.355 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.282 11.137 -4.787 1.00 0.00 N ATOM 0 H GLN A 51 -14.061 6.361 -5.214 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.212 6.867 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.154 7.631 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.893 8.443 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.792 8.663 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.463 8.504 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.574 10.809 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.394 12.136 -4.614 1.00 0.00 H new ATOM 772 N SER A 52 -14.761 4.979 -2.299 1.00 0.00 N ATOM 773 CA SER A 52 -15.260 4.090 -1.256 1.00 0.00 C ATOM 774 C SER A 52 -14.133 3.233 -0.687 1.00 0.00 C ATOM 775 O SER A 52 -13.855 3.268 0.511 1.00 0.00 O ATOM 776 CB SER A 52 -16.369 3.192 -1.809 1.00 0.00 C ATOM 777 OG SER A 52 -17.203 2.712 -0.769 1.00 0.00 O ATOM 0 H SER A 52 -15.314 4.976 -3.156 1.00 0.00 H new ATOM 0 HA SER A 52 -15.666 4.705 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.966 3.749 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.927 2.351 -2.343 1.00 0.00 H new ATOM 0 HG SER A 52 -17.904 2.142 -1.149 1.00 0.00 H new ATOM 783 N ALA A 53 -13.486 2.464 -1.558 1.00 0.00 N ATOM 784 CA ALA A 53 -12.387 1.600 -1.144 1.00 0.00 C ATOM 785 C ALA A 53 -11.616 2.213 0.020 1.00 0.00 C ATOM 786 O ALA A 53 -11.349 1.545 1.020 1.00 0.00 O ATOM 787 CB ALA A 53 -11.455 1.335 -2.316 1.00 0.00 C ATOM 0 H ALA A 53 -13.704 2.422 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.808 0.653 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.639 0.689 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.009 0.847 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.048 2.279 -2.678 1.00 0.00 H new ATOM 793 N VAL A 54 -11.258 3.485 -0.117 1.00 0.00 N ATOM 794 CA VAL A 54 -10.517 4.187 0.924 1.00 0.00 C ATOM 795 C VAL A 54 -11.038 5.608 1.107 1.00 0.00 C ATOM 796 O VAL A 54 -11.011 6.415 0.177 1.00 0.00 O ATOM 797 CB VAL A 54 -9.012 4.242 0.602 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.251 4.940 1.719 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.466 2.841 0.369 1.00 0.00 C ATOM 0 H VAL A 54 -11.469 4.051 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.663 3.628 1.848 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.875 4.818 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.189 4.969 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.625 5.957 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.393 4.394 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.401 2.898 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.614 2.239 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.991 2.381 -0.468 1.00 0.00 H new ATOM 809 N VAL A 55 -11.513 5.909 2.312 1.00 0.00 N ATOM 810 CA VAL A 55 -12.038 7.233 2.618 1.00 0.00 C ATOM 811 C VAL A 55 -11.001 8.084 3.341 1.00 0.00 C ATOM 812 O VAL A 55 -10.042 7.561 3.909 1.00 0.00 O ATOM 813 CB VAL A 55 -13.309 7.146 3.484 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.913 8.527 3.686 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.319 6.200 2.854 1.00 0.00 C ATOM 0 H VAL A 55 -11.545 5.253 3.092 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.287 7.702 1.666 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.035 6.749 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.810 8.446 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.189 9.171 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.174 8.955 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.211 6.151 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.590 6.565 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.881 5.206 2.767 1.00 0.00 H new ATOM 825 N VAL A 56 -11.198 9.398 3.316 1.00 0.00 N ATOM 826 CA VAL A 56 -10.281 10.322 3.970 1.00 0.00 C ATOM 827 C VAL A 56 -11.031 11.299 4.868 1.00 0.00 C ATOM 828 O VAL A 56 -11.993 11.936 4.440 1.00 0.00 O ATOM 829 CB VAL A 56 -9.456 11.117 2.941 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.351 11.901 3.632 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.878 10.185 1.886 1.00 0.00 C ATOM 0 H VAL A 56 -11.986 9.847 2.849 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.606 9.720 4.578 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.117 11.827 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.779 12.456 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.791 12.598 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.690 11.212 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.298 10.764 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.232 9.449 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.690 9.673 1.369 1.00 0.00 H new ATOM 841 N GLN A 57 -10.584 11.413 6.114 1.00 0.00 N ATOM 842 CA GLN A 57 -11.214 12.314 7.072 1.00 0.00 C ATOM 843 C GLN A 57 -10.232 13.381 7.544 1.00 0.00 C ATOM 844 O GLN A 57 -9.023 13.248 7.365 1.00 0.00 O ATOM 845 CB GLN A 57 -11.746 11.526 8.272 1.00 0.00 C ATOM 846 CG GLN A 57 -12.862 10.557 7.916 1.00 0.00 C ATOM 847 CD GLN A 57 -13.540 9.975 9.141 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.019 10.062 10.254 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.709 9.376 8.942 1.00 0.00 N ATOM 0 H GLN A 57 -9.788 10.893 6.484 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.047 12.809 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.925 10.971 8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.110 12.226 9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.603 11.071 7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.456 9.747 7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.104 9.327 8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.212 8.965 9.729 1.00 0.00 H new ATOM 858 N GLY A 58 -10.762 14.439 8.149 1.00 0.00 N ATOM 859 CA GLY A 58 -9.918 15.515 8.637 1.00 0.00 C ATOM 860 C GLY A 58 -9.760 16.632 7.625 1.00 0.00 C ATOM 861 O GLY A 58 -8.974 17.559 7.830 1.00 0.00 O ATOM 0 H GLY A 58 -11.761 14.571 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.344 15.919 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.936 15.116 8.890 1.00 0.00 H new ATOM 865 N LEU A 59 -10.505 16.545 6.529 1.00 0.00 N ATOM 866 CA LEU A 59 -10.442 17.557 5.479 1.00 0.00 C ATOM 867 C LEU A 59 -11.311 18.760 5.830 1.00 0.00 C ATOM 868 O LEU A 59 -12.250 18.669 6.621 1.00 0.00 O ATOM 869 CB LEU A 59 -10.890 16.962 4.144 1.00 0.00 C ATOM 870 CG LEU A 59 -9.847 16.132 3.394 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.295 15.878 1.963 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.495 16.831 3.416 1.00 0.00 C ATOM 0 H LEU A 59 -11.160 15.785 6.344 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.408 17.892 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.763 16.335 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.211 17.777 3.495 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.745 15.170 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.540 15.286 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.241 15.336 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.426 16.830 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.764 16.227 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.582 17.807 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.169 16.961 4.448 1.00 0.00 H new ATOM 884 N PRO A 60 -10.993 19.916 5.227 1.00 0.00 N ATOM 885 CA PRO A 60 -11.734 21.159 5.459 1.00 0.00 C ATOM 886 C PRO A 60 -13.136 21.118 4.859 1.00 0.00 C ATOM 887 O PRO A 60 -13.616 20.061 4.454 1.00 0.00 O ATOM 888 CB PRO A 60 -10.882 22.216 4.753 1.00 0.00 C ATOM 889 CG PRO A 60 -10.139 21.465 3.703 1.00 0.00 C ATOM 890 CD PRO A 60 -9.886 20.097 4.274 1.00 0.00 C ATOM 0 HA PRO A 60 -11.884 21.352 6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.503 22.998 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.199 22.703 5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.720 21.403 2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.202 21.964 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.893 19.330 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.916 20.041 4.769 1.00 0.00 H new ATOM 898 N GLU A 61 -13.786 22.277 4.807 1.00 0.00 N ATOM 899 CA GLU A 61 -15.134 22.372 4.257 1.00 0.00 C ATOM 900 C GLU A 61 -15.091 22.658 2.758 1.00 0.00 C ATOM 901 O GLU A 61 -14.069 23.092 2.227 1.00 0.00 O ATOM 902 CB GLU A 61 -15.925 23.467 4.973 1.00 0.00 C ATOM 903 CG GLU A 61 -17.423 23.219 4.999 1.00 0.00 C ATOM 904 CD GLU A 61 -18.175 24.262 5.801 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.508 25.322 5.230 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.431 24.021 6.999 1.00 0.00 O ATOM 0 H GLU A 61 -13.402 23.162 5.138 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.631 21.414 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.562 23.555 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.732 24.422 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.803 23.209 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.617 22.233 5.421 1.00 0.00 H new ATOM 913 N GLY A 62 -16.208 22.411 2.082 1.00 0.00 N ATOM 914 CA GLY A 62 -16.278 22.646 0.652 1.00 0.00 C ATOM 915 C GLY A 62 -15.077 22.088 -0.086 1.00 0.00 C ATOM 916 O GLY A 62 -14.711 22.582 -1.154 1.00 0.00 O ATOM 0 H GLY A 62 -17.067 22.052 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.187 22.193 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.349 23.718 0.466 1.00 0.00 H new ATOM 920 N VAL A 63 -14.461 21.057 0.483 1.00 0.00 N ATOM 921 CA VAL A 63 -13.294 20.432 -0.128 1.00 0.00 C ATOM 922 C VAL A 63 -13.584 18.985 -0.510 1.00 0.00 C ATOM 923 O VAL A 63 -14.550 18.388 -0.037 1.00 0.00 O ATOM 924 CB VAL A 63 -12.078 20.468 0.817 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.186 19.375 1.869 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.785 20.334 0.027 1.00 0.00 C ATOM 0 H VAL A 63 -14.751 20.637 1.366 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.063 21.004 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.066 21.430 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.318 19.416 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.093 19.522 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.224 18.402 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.936 20.361 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.785 19.387 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.706 21.157 -0.683 1.00 0.00 H new ATOM 936 N ALA A 64 -12.739 18.426 -1.370 1.00 0.00 N ATOM 937 CA ALA A 64 -12.902 17.047 -1.815 1.00 0.00 C ATOM 938 C ALA A 64 -11.549 16.375 -2.028 1.00 0.00 C ATOM 939 O ALA A 64 -10.752 16.812 -2.859 1.00 0.00 O ATOM 940 CB ALA A 64 -13.725 16.999 -3.094 1.00 0.00 C ATOM 0 H ALA A 64 -11.935 18.907 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.431 16.500 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.839 15.964 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.708 17.432 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.218 17.567 -3.874 1.00 0.00 H new ATOM 946 N PHE A 65 -11.297 15.312 -1.272 1.00 0.00 N ATOM 947 CA PHE A 65 -10.040 14.580 -1.379 1.00 0.00 C ATOM 948 C PHE A 65 -9.535 14.572 -2.819 1.00 0.00 C ATOM 949 O PHE A 65 -10.254 14.181 -3.738 1.00 0.00 O ATOM 950 CB PHE A 65 -10.217 13.145 -0.880 1.00 0.00 C ATOM 951 CG PHE A 65 -8.976 12.308 -1.009 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.963 12.397 -0.068 1.00 0.00 C ATOM 953 CD2 PHE A 65 -8.824 11.433 -2.072 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.820 11.628 -0.186 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.684 10.661 -2.196 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.681 10.758 -1.251 1.00 0.00 C ATOM 0 H PHE A 65 -11.946 14.938 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.301 15.085 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.523 13.168 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.025 12.672 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.067 13.074 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.606 11.353 -2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.037 11.707 0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.578 9.983 -3.030 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.790 10.155 -1.344 1.00 0.00 H new ATOM 966 N LYS A 66 -8.293 15.006 -3.006 1.00 0.00 N ATOM 967 CA LYS A 66 -7.690 15.049 -4.332 1.00 0.00 C ATOM 968 C LYS A 66 -6.199 15.364 -4.243 1.00 0.00 C ATOM 969 O LYS A 66 -5.709 15.799 -3.201 1.00 0.00 O ATOM 970 CB LYS A 66 -8.392 16.095 -5.202 1.00 0.00 C ATOM 971 CG LYS A 66 -8.259 17.512 -4.672 1.00 0.00 C ATOM 972 CD LYS A 66 -8.830 18.527 -5.649 1.00 0.00 C ATOM 973 CE LYS A 66 -10.317 18.747 -5.419 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.775 20.056 -5.962 1.00 0.00 N ATOM 0 H LYS A 66 -7.685 15.333 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.809 14.067 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.980 16.053 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.449 15.842 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.776 17.594 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.208 17.735 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.300 19.474 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.666 18.183 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.880 17.941 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.530 18.703 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.665 19.923 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.928 20.722 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.052 20.438 -6.604 1.00 0.00 H new ATOM 988 N HIS A 67 -5.485 15.143 -5.342 1.00 0.00 N ATOM 989 CA HIS A 67 -4.051 15.405 -5.386 1.00 0.00 C ATOM 990 C HIS A 67 -3.706 16.670 -4.607 1.00 0.00 C ATOM 991 O HIS A 67 -4.428 17.667 -4.642 1.00 0.00 O ATOM 992 CB HIS A 67 -3.581 15.541 -6.835 1.00 0.00 C ATOM 993 CG HIS A 67 -2.169 15.090 -7.051 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.084 15.931 -6.922 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.667 13.879 -7.388 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.025 15.257 -7.171 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.301 14.009 -7.457 1.00 0.00 N ATOM 0 H HIS A 67 -5.875 14.784 -6.213 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.538 14.562 -4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.242 14.960 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.672 16.583 -7.142 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.235 12.978 -7.569 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.027 15.658 -7.145 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.355 13.263 -7.691 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.575 16.632 -3.885 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.110 17.767 -3.083 1.00 0.00 C ATOM 1007 C PRO A 68 -1.635 18.930 -3.947 1.00 0.00 C ATOM 1008 O PRO A 68 -1.173 19.949 -3.433 1.00 0.00 O ATOM 1009 CB PRO A 68 -0.942 17.181 -2.285 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.452 16.042 -3.110 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.665 15.478 -3.798 1.00 0.00 C ATOM 0 HA PRO A 68 -2.904 18.181 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.158 17.922 -2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.265 16.846 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.289 16.376 -3.836 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.030 15.288 -2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.421 15.084 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.106 14.660 -3.228 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.751 18.772 -5.262 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.332 19.810 -6.196 1.00 0.00 C ATOM 1021 C GLU A 69 -2.529 20.627 -6.673 1.00 0.00 C ATOM 1022 O GLU A 69 -2.377 21.754 -7.145 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.613 19.190 -7.395 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.555 18.659 -8.462 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.820 18.059 -9.644 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -0.417 16.880 -9.555 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -0.648 18.766 -10.659 1.00 0.00 O ATOM 0 H GLU A 69 -2.132 17.935 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.644 20.475 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.043 19.938 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.022 18.376 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.206 17.903 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.196 19.469 -8.811 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.720 20.050 -6.549 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.943 20.723 -6.969 1.00 0.00 C ATOM 1036 C ASN A 70 -5.467 21.638 -5.866 1.00 0.00 C ATOM 1037 O ASN A 70 -6.350 22.464 -6.097 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.012 19.695 -7.345 1.00 0.00 C ATOM 1039 CG ASN A 70 -7.078 20.275 -8.254 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -8.168 20.629 -7.804 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -6.768 20.377 -9.541 1.00 0.00 N ATOM 0 H ASN A 70 -3.864 19.118 -6.161 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.711 21.332 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.539 18.847 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.480 19.314 -6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.445 20.761 -10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.853 20.071 -9.871 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.917 21.484 -4.667 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.329 22.294 -3.527 1.00 0.00 C ATOM 1050 C TYR A 71 -4.593 23.630 -3.513 1.00 0.00 C ATOM 1051 O TYR A 71 -3.369 23.676 -3.388 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.070 21.543 -2.220 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.959 20.334 -2.029 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.318 20.395 -2.315 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.440 19.131 -1.567 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.133 19.293 -2.142 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.247 18.025 -1.392 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.593 18.110 -1.680 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.402 17.010 -1.508 1.00 0.00 O ATOM 0 H TYR A 71 -4.184 20.805 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.397 22.489 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.028 21.225 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.216 22.226 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.744 21.319 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.386 19.060 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.187 19.357 -2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.827 17.098 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.287 17.192 -1.889 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.348 24.716 -3.642 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.769 26.054 -3.643 1.00 0.00 C ATOM 1071 C ASP A 72 -3.747 26.204 -2.520 1.00 0.00 C ATOM 1072 O ASP A 72 -3.960 25.728 -1.404 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.867 27.109 -3.495 1.00 0.00 C ATOM 1074 CG ASP A 72 -7.157 26.701 -4.180 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.763 25.696 -3.755 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.559 27.387 -5.143 1.00 0.00 O ATOM 0 H ASP A 72 -6.362 24.695 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.260 26.202 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.060 27.282 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.519 28.053 -3.914 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.637 26.869 -2.823 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.582 27.082 -1.839 1.00 0.00 C ATOM 1083 C LEU A 73 -2.168 27.299 -0.448 1.00 0.00 C ATOM 1084 O LEU A 73 -1.715 26.702 0.528 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.723 28.285 -2.236 1.00 0.00 C ATOM 1086 CG LEU A 73 0.356 28.699 -1.235 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.044 27.472 -0.654 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.372 29.619 -1.895 1.00 0.00 C ATOM 0 H LEU A 73 -2.445 27.269 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.958 26.189 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.241 28.063 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.382 29.137 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.121 29.243 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.809 27.786 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.309 26.850 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.508 26.900 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.132 29.903 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.844 29.100 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.869 30.513 -2.262 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.180 28.157 -0.365 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.832 28.449 0.905 1.00 0.00 C ATOM 1102 C ALA A 74 -4.391 27.181 1.540 1.00 0.00 C ATOM 1103 O ALA A 74 -4.228 26.948 2.738 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.939 29.474 0.707 1.00 0.00 C ATOM 0 H ALA A 74 -3.566 28.662 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.084 28.864 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.417 29.682 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.515 30.394 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.679 29.081 0.010 1.00 0.00 H new ATOM 1110 N THR A 75 -5.053 26.361 0.729 1.00 0.00 N ATOM 1111 CA THR A 75 -5.639 25.117 1.212 1.00 0.00 C ATOM 1112 C THR A 75 -4.559 24.142 1.668 1.00 0.00 C ATOM 1113 O THR A 75 -4.670 23.526 2.729 1.00 0.00 O ATOM 1114 CB THR A 75 -6.499 24.441 0.126 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.494 25.355 -0.347 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.170 23.189 0.669 1.00 0.00 C ATOM 0 H THR A 75 -5.197 26.536 -0.265 1.00 0.00 H new ATOM 0 HA THR A 75 -6.274 25.375 2.059 1.00 0.00 H new ATOM 0 HB THR A 75 -5.847 24.155 -0.699 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.036 24.920 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.771 22.729 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.409 22.484 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.811 23.455 1.509 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.513 24.005 0.861 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.411 23.104 1.181 1.00 0.00 C ATOM 1126 C LEU A 76 -1.966 23.282 2.629 1.00 0.00 C ATOM 1127 O LEU A 76 -1.922 22.323 3.399 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.232 23.354 0.239 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.255 22.586 -1.083 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.152 23.078 -2.006 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.117 21.091 -0.834 1.00 0.00 C ATOM 0 H LEU A 76 -3.405 24.507 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.761 22.080 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.191 24.420 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.312 23.103 0.766 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.214 22.766 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.184 22.520 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.296 24.139 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.816 22.929 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.135 20.560 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.173 20.892 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.943 20.748 -0.211 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.638 24.517 2.994 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.200 24.824 4.351 1.00 0.00 C ATOM 1145 C LYS A 77 -2.153 24.224 5.379 1.00 0.00 C ATOM 1146 O LYS A 77 -1.727 23.544 6.313 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.106 26.338 4.549 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.026 26.996 3.707 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.316 28.470 3.481 1.00 0.00 C ATOM 1150 CE LYS A 77 0.798 29.143 2.694 1.00 0.00 C ATOM 1151 NZ LYS A 77 0.824 30.615 2.917 1.00 0.00 N ATOM 0 H LYS A 77 -1.667 25.322 2.369 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.214 24.384 4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.069 26.788 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.912 26.547 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.939 26.886 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.048 26.487 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.259 28.578 2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.437 28.970 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.757 28.715 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.666 28.939 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.597 31.036 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.082 31.028 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.975 30.810 3.927 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.444 24.479 5.201 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.458 23.962 6.114 1.00 0.00 C ATOM 1167 C TRP A 78 -4.285 22.463 6.327 1.00 0.00 C ATOM 1168 O TRP A 78 -4.062 22.009 7.450 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.859 24.255 5.572 1.00 0.00 C ATOM 1170 CG TRP A 78 -6.944 24.036 6.581 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.524 24.982 7.378 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.577 22.794 6.904 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.480 24.402 8.177 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.533 23.060 7.904 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.432 21.483 6.443 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.336 22.063 8.450 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.230 20.494 6.986 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.173 20.788 7.981 1.00 0.00 C ATOM 0 H TRP A 78 -3.814 25.040 4.434 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.336 24.463 7.074 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.898 25.288 5.226 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.045 23.621 4.705 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.269 26.031 7.380 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.056 24.891 8.862 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.709 21.247 5.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.062 22.288 9.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.125 19.477 6.638 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.782 19.993 8.385 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.389 21.700 5.245 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.243 20.251 5.315 1.00 0.00 C ATOM 1191 C ILE A 79 -3.124 19.858 6.273 1.00 0.00 C ATOM 1192 O ILE A 79 -3.324 19.051 7.182 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.953 19.646 3.929 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.141 19.871 2.991 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.642 18.163 4.052 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.916 19.338 1.594 1.00 0.00 C ATOM 0 H ILE A 79 -4.574 22.061 4.309 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.190 19.856 5.683 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.081 20.146 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.024 19.394 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.352 20.939 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.439 17.751 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.768 18.026 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.496 17.648 4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.798 19.532 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.052 19.833 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.735 18.264 1.639 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.945 20.433 6.066 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.793 20.146 6.912 1.00 0.00 C ATOM 1210 C LEU A 80 -1.050 20.582 8.351 1.00 0.00 C ATOM 1211 O LEU A 80 -0.680 19.887 9.295 1.00 0.00 O ATOM 1212 CB LEU A 80 0.453 20.849 6.369 1.00 0.00 C ATOM 1213 CG LEU A 80 1.226 20.101 5.282 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.247 21.019 4.626 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.907 18.871 5.863 1.00 0.00 C ATOM 0 H LEU A 80 -1.762 21.102 5.318 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.628 19.069 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.154 21.819 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.130 21.040 7.202 1.00 0.00 H new ATOM 0 HG LEU A 80 0.519 19.774 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.788 20.470 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.735 21.869 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.951 21.377 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.452 18.351 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.602 19.175 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.155 18.204 6.285 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.689 21.737 8.507 1.00 0.00 N ATOM 1228 CA GLU A 81 -1.999 22.265 9.831 1.00 0.00 C ATOM 1229 C GLU A 81 -2.869 21.289 10.616 1.00 0.00 C ATOM 1230 O GLU A 81 -2.522 20.884 11.725 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.706 23.616 9.713 1.00 0.00 C ATOM 1232 CG GLU A 81 -1.759 24.804 9.733 1.00 0.00 C ATOM 1233 CD GLU A 81 -0.445 24.513 9.034 1.00 0.00 C ATOM 1234 OE1 GLU A 81 0.432 23.880 9.659 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -0.294 24.918 7.862 1.00 0.00 O ATOM 0 H GLU A 81 -2.002 22.325 7.734 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.061 22.401 10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.280 23.636 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.418 23.716 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.241 25.656 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.561 25.089 10.766 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.004 20.916 10.033 1.00 0.00 N ATOM 1243 CA ASN A 82 -4.927 19.988 10.678 1.00 0.00 C ATOM 1244 C ASN A 82 -4.710 18.566 10.171 1.00 0.00 C ATOM 1245 O ASN A 82 -5.663 17.807 9.991 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.374 20.417 10.426 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.723 21.714 11.130 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.293 21.707 12.221 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.381 22.836 10.507 1.00 0.00 N ATOM 0 H ASN A 82 -4.307 21.242 9.115 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.732 20.006 11.750 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.534 20.534 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.048 19.630 10.765 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.590 23.739 10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.910 22.794 9.603 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.450 18.210 9.942 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.106 16.878 9.458 1.00 0.00 C ATOM 1258 C LYS A 83 -3.033 15.882 10.611 1.00 0.00 C ATOM 1259 O LYS A 83 -3.563 14.776 10.522 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.770 16.913 8.713 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.567 17.061 9.629 1.00 0.00 C ATOM 1262 CD LYS A 83 0.711 17.284 8.839 1.00 0.00 C ATOM 1263 CE LYS A 83 1.914 17.441 9.757 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.165 17.696 8.992 1.00 0.00 N ATOM 0 H LYS A 83 -2.650 18.826 10.084 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.889 16.554 8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.663 15.997 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.780 17.741 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.727 17.898 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.464 16.167 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.874 16.444 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.606 18.175 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.738 18.264 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.033 16.539 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.988 17.529 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.208 17.055 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.174 18.682 8.661 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.372 16.284 11.692 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.232 15.427 12.863 1.00 0.00 C ATOM 1280 C ALA A 84 -3.511 14.640 13.124 1.00 0.00 C ATOM 1281 O ALA A 84 -3.475 13.546 13.686 1.00 0.00 O ATOM 1282 CB ALA A 84 -1.864 16.259 14.083 1.00 0.00 C ATOM 0 H ALA A 84 -1.926 17.197 11.781 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.432 14.713 12.667 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.762 15.607 14.951 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.920 16.772 13.902 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.646 16.994 14.271 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.643 15.205 12.712 1.00 0.00 N ATOM 1289 CA GLY A 85 -5.919 14.542 12.911 1.00 0.00 C ATOM 1290 C GLY A 85 -6.333 13.711 11.712 1.00 0.00 C ATOM 1291 O GLY A 85 -6.864 12.611 11.865 1.00 0.00 O ATOM 0 H GLY A 85 -4.699 16.110 12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.859 13.901 13.790 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.686 15.290 13.114 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.092 14.239 10.517 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.446 13.539 9.289 1.00 0.00 C ATOM 1297 C ILE A 86 -6.287 12.032 9.450 1.00 0.00 C ATOM 1298 O ILE A 86 -5.229 11.549 9.855 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.582 14.012 8.104 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.112 15.339 7.556 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.558 12.953 7.011 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.326 15.860 6.373 1.00 0.00 C ATOM 0 H ILE A 86 -5.653 15.149 10.373 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.491 13.771 9.083 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.562 14.167 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.154 15.212 7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.094 16.085 8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.944 13.301 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.140 12.029 7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.573 12.770 6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.757 16.803 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.289 16.020 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.365 15.133 5.562 1.00 0.00 H new ATOM 1314 N SER A 87 -7.344 11.293 9.127 1.00 0.00 N ATOM 1315 CA SER A 87 -7.323 9.839 9.239 1.00 0.00 C ATOM 1316 C SER A 87 -7.765 9.188 7.931 1.00 0.00 C ATOM 1317 O SER A 87 -8.261 9.860 7.027 1.00 0.00 O ATOM 1318 CB SER A 87 -8.230 9.380 10.383 1.00 0.00 C ATOM 1319 OG SER A 87 -7.775 9.883 11.627 1.00 0.00 O ATOM 0 H SER A 87 -8.225 11.677 8.786 1.00 0.00 H new ATOM 0 HA SER A 87 -6.299 9.530 9.452 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.250 9.719 10.201 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.257 8.291 10.415 1.00 0.00 H new ATOM 0 HG SER A 87 -7.550 10.832 11.534 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.583 7.875 7.840 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.961 7.132 6.644 1.00 0.00 C ATOM 1327 C PHE A 88 -8.698 5.848 7.012 1.00 0.00 C ATOM 1328 O PHE A 88 -8.217 5.053 7.821 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.722 6.801 5.810 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.359 7.873 4.823 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.964 9.128 5.257 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.414 7.626 3.460 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.629 10.117 4.351 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.080 8.611 2.551 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.688 9.859 2.996 1.00 0.00 C ATOM 0 H PHE A 88 -7.176 7.304 8.580 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.630 7.758 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.878 6.634 6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.894 5.868 5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.917 9.336 6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.721 6.653 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.321 11.091 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.125 8.406 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.429 10.630 2.286 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.869 5.652 6.414 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.672 4.465 6.678 1.00 0.00 C ATOM 1347 C ILE A 89 -10.721 3.552 5.458 1.00 0.00 C ATOM 1348 O ILE A 89 -11.357 3.875 4.454 1.00 0.00 O ATOM 1349 CB ILE A 89 -12.110 4.838 7.085 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -12.092 5.885 8.201 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.873 3.598 7.526 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.182 7.308 7.696 1.00 0.00 C ATOM 0 H ILE A 89 -10.282 6.300 5.744 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.194 3.938 7.504 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.618 5.265 6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.924 5.695 8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.176 5.771 8.780 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.887 3.877 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.910 2.883 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.368 3.145 8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.164 7.996 8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.336 7.516 7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.111 7.439 7.141 1.00 0.00 H new ATOM 1364 N ILE A 90 -10.048 2.410 5.552 1.00 0.00 N ATOM 1365 CA ILE A 90 -10.019 1.449 4.458 1.00 0.00 C ATOM 1366 C ILE A 90 -11.269 0.578 4.456 1.00 0.00 C ATOM 1367 O ILE A 90 -11.485 -0.221 5.368 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.776 0.542 4.539 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.783 0.902 3.432 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -9.180 -0.921 4.440 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.771 1.947 3.845 1.00 0.00 C ATOM 0 H ILE A 90 -9.516 2.128 6.375 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.980 2.026 3.534 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.291 0.700 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.256 0.000 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.334 1.265 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.291 -1.549 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.854 -1.169 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.685 -1.095 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.100 2.153 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.289 2.863 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.194 1.579 4.693 1.00 0.00 H new ATOM 1383 N LYS A 91 -12.092 0.737 3.425 1.00 0.00 N ATOM 1384 CA LYS A 91 -13.323 -0.037 3.301 1.00 0.00 C ATOM 1385 C LYS A 91 -13.091 -1.298 2.475 1.00 0.00 C ATOM 1386 O LYS A 91 -13.730 -2.325 2.701 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.421 0.813 2.658 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.497 2.226 3.209 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.440 2.312 4.398 1.00 0.00 C ATOM 1390 CE LYS A 91 -16.101 3.678 4.487 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.410 3.709 3.775 1.00 0.00 N ATOM 0 H LYS A 91 -11.929 1.395 2.663 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.640 -0.332 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.250 0.860 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.383 0.322 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.502 2.555 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.835 2.905 2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.206 1.541 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.888 2.113 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.251 3.941 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.438 4.431 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.829 4.657 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.264 3.483 2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.052 3.009 4.198 1.00 0.00 H new ATOM 1405 N ARG A 92 -12.173 -1.213 1.517 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.858 -2.347 0.658 1.00 0.00 C ATOM 1407 C ARG A 92 -10.754 -1.988 -0.333 1.00 0.00 C ATOM 1408 O ARG A 92 -10.835 -0.996 -1.057 1.00 0.00 O ATOM 1409 CB ARG A 92 -13.107 -2.805 -0.097 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.806 -3.703 -1.285 1.00 0.00 C ATOM 1411 CD ARG A 92 -12.323 -2.899 -2.483 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.729 -3.503 -3.748 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.966 -3.438 -4.229 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -14.911 -2.798 -3.554 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -14.259 -4.013 -5.389 1.00 0.00 N ATOM 0 H ARG A 92 -11.635 -0.370 1.317 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.505 -3.162 1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.763 -3.337 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.653 -1.928 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.047 -4.434 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.702 -4.261 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.719 -1.885 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.236 -2.820 -2.452 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.025 -4.002 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.689 -2.354 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.860 -2.750 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.534 -4.505 -5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.209 -3.963 -5.758 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.697 -2.814 -0.368 1.00 0.00 N ATOM 1430 CA PRO A 93 -8.558 -2.605 -1.265 1.00 0.00 C ATOM 1431 C PRO A 93 -8.919 -2.847 -2.726 1.00 0.00 C ATOM 1432 O PRO A 93 -9.275 -3.961 -3.112 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.536 -3.639 -0.787 1.00 0.00 C ATOM 1434 CG PRO A 93 -8.351 -4.709 -0.148 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.534 -4.016 0.467 1.00 0.00 C ATOM 0 HA PRO A 93 -8.194 -1.578 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.950 -4.031 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.832 -3.202 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.670 -5.448 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.773 -5.241 0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.424 -4.645 0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.351 -3.759 1.510 1.00 0.00 H new