USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 847 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 79 ASN : amide:sc= -11.2! C(o=-11!,f=-13!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -175:sc= -0.113 (180deg=-0.0879) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.7!) USER MOD Single : A 18 SER OG : rot -16:sc= 0.166 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -101:sc= 0.0827! USER MOD Single : A 29 CYS SG : rot 92:sc= 0.00965 USER MOD Single : A 33 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-0.12) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 40 SER OG : rot 25:sc= 0.831 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.59) USER MOD Single : A 62 ASN : amide:sc= -0.321 K(o=-0.32,f=-3!) USER MOD Single : A 68 SER OG : rot 125:sc= -2.46! USER MOD Single : A 69 TYR OH : rot 60:sc= -1.06 USER MOD Single : A 86 THR OG1 : rot -150:sc= -5.23! USER MOD Single : A 88 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 90 SER OG : rot 100:sc= -1.24 USER MOD Single : A 95 THR OG1 : rot -172:sc= -2.68 USER MOD Single : A 97 TYR OH : rot 60:sc= 0.714 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.08 K(o=-1.1,f=0.053) USER MOD Single : A 104 THR OG1 : rot 159:sc= -0.241! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 70:sc= 0.51 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 4.542 14.192 5.581 1.00 0.00 N ATOM 109 CA ARG A 8 4.351 13.256 4.445 1.00 0.00 C ATOM 110 C ARG A 8 3.963 11.882 4.978 1.00 0.00 C ATOM 111 O ARG A 8 4.712 11.243 5.689 1.00 0.00 O ATOM 112 CB ARG A 8 5.704 13.208 3.734 1.00 0.00 C ATOM 113 CG ARG A 8 6.176 14.632 3.435 1.00 0.00 C ATOM 114 CD ARG A 8 5.066 15.401 2.712 1.00 0.00 C ATOM 115 NE ARG A 8 5.694 15.903 1.460 1.00 0.00 N ATOM 116 CZ ARG A 8 4.973 16.549 0.584 1.00 0.00 C ATOM 117 NH1 ARG A 8 3.878 17.153 0.959 1.00 0.00 N ATOM 118 NH2 ARG A 8 5.344 16.588 -0.667 1.00 0.00 N ATOM 0 HA ARG A 8 3.559 13.572 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.436 12.695 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.620 12.640 2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.440 15.141 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.075 14.606 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.216 14.755 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.693 16.223 3.323 1.00 0.00 H new ATOM 0 HE ARG A 8 6.686 15.743 1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.586 17.120 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.314 17.658 0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.198 16.114 -0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.780 17.093 -1.351 1.00 0.00 H new ATOM 132 N LEU A 9 2.796 11.425 4.638 1.00 0.00 N ATOM 133 CA LEU A 9 2.354 10.101 5.118 1.00 0.00 C ATOM 134 C LEU A 9 3.213 9.036 4.467 1.00 0.00 C ATOM 135 O LEU A 9 3.978 9.316 3.566 1.00 0.00 O ATOM 136 CB LEU A 9 0.898 9.968 4.679 1.00 0.00 C ATOM 137 CG LEU A 9 -0.013 10.255 5.871 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.100 11.766 6.094 1.00 0.00 C ATOM 139 CD2 LEU A 9 -1.409 9.696 5.590 1.00 0.00 C ATOM 0 H LEU A 9 2.128 11.917 4.045 1.00 0.00 H new ATOM 0 HA LEU A 9 2.445 9.990 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.685 10.664 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.711 8.965 4.296 1.00 0.00 H new ATOM 0 HG LEU A 9 0.394 9.781 6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.750 11.971 6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.896 12.162 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.508 12.242 5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.060 9.900 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.818 10.170 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.345 8.619 5.432 1.00 0.00 H new ATOM 151 N ARG A 10 3.117 7.823 4.904 1.00 0.00 N ATOM 152 CA ARG A 10 3.961 6.787 4.277 1.00 0.00 C ATOM 153 C ARG A 10 3.096 5.650 3.733 1.00 0.00 C ATOM 154 O ARG A 10 2.452 4.935 4.474 1.00 0.00 O ATOM 155 CB ARG A 10 4.872 6.289 5.399 1.00 0.00 C ATOM 156 CG ARG A 10 5.889 7.378 5.747 1.00 0.00 C ATOM 157 CD ARG A 10 5.328 8.260 6.866 1.00 0.00 C ATOM 158 NE ARG A 10 5.920 7.717 8.120 1.00 0.00 N ATOM 159 CZ ARG A 10 5.189 7.620 9.197 1.00 0.00 C ATOM 160 NH1 ARG A 10 4.118 6.877 9.190 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.531 8.267 10.278 1.00 0.00 N ATOM 0 H ARG A 10 2.503 7.507 5.654 1.00 0.00 H new ATOM 0 HA ARG A 10 4.531 7.174 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.280 6.035 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.387 5.380 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.829 6.925 6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.106 7.983 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.603 9.305 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.239 8.218 6.893 1.00 0.00 H new ATOM 0 HE ARG A 10 6.896 7.421 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.853 6.373 8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.545 6.800 10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.369 8.848 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.960 8.191 11.120 1.00 0.00 H new ATOM 175 N VAL A 11 3.077 5.479 2.442 1.00 0.00 N ATOM 176 CA VAL A 11 2.256 4.388 1.848 1.00 0.00 C ATOM 177 C VAL A 11 3.163 3.247 1.378 1.00 0.00 C ATOM 178 O VAL A 11 3.728 3.292 0.304 1.00 0.00 O ATOM 179 CB VAL A 11 1.539 5.036 0.664 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.570 5.482 -0.375 1.00 0.00 C ATOM 181 CG2 VAL A 11 0.582 4.023 0.030 1.00 0.00 C ATOM 0 H VAL A 11 3.595 6.047 1.772 1.00 0.00 H new ATOM 0 HA VAL A 11 1.552 3.958 2.561 1.00 0.00 H new ATOM 0 HB VAL A 11 0.975 5.902 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.059 5.944 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.252 6.203 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.135 4.617 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.070 4.485 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.146 3.157 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.153 3.705 0.769 1.00 0.00 H new ATOM 191 N LEU A 12 3.302 2.221 2.175 1.00 0.00 N ATOM 192 CA LEU A 12 4.169 1.073 1.773 1.00 0.00 C ATOM 193 C LEU A 12 3.486 0.282 0.660 1.00 0.00 C ATOM 194 O LEU A 12 2.744 -0.648 0.913 1.00 0.00 O ATOM 195 CB LEU A 12 4.307 0.206 3.027 1.00 0.00 C ATOM 196 CG LEU A 12 5.217 0.886 4.063 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.586 1.183 3.446 1.00 0.00 C ATOM 198 CD2 LEU A 12 4.581 2.195 4.539 1.00 0.00 C ATOM 0 H LEU A 12 2.853 2.127 3.086 1.00 0.00 H new ATOM 0 HA LEU A 12 5.140 1.400 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.323 0.028 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.718 -0.767 2.758 1.00 0.00 H new ATOM 0 HG LEU A 12 5.342 0.214 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.223 1.665 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.048 0.251 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.463 1.845 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.232 2.670 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.444 2.863 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.613 1.985 4.995 1.00 0.00 H new ATOM 210 N VAL A 13 3.717 0.642 -0.571 1.00 0.00 N ATOM 211 CA VAL A 13 3.061 -0.100 -1.684 1.00 0.00 C ATOM 212 C VAL A 13 4.068 -1.024 -2.368 1.00 0.00 C ATOM 213 O VAL A 13 5.206 -0.663 -2.587 1.00 0.00 O ATOM 214 CB VAL A 13 2.524 0.957 -2.668 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.110 0.567 -3.102 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.468 2.338 -2.004 1.00 0.00 C ATOM 0 H VAL A 13 4.325 1.410 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 13 2.249 -0.727 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 13 3.192 1.001 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.725 1.312 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.135 -0.408 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.461 0.519 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.086 3.069 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.809 2.298 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.469 2.630 -1.686 1.00 0.00 H new ATOM 226 N VAL A 14 3.658 -2.222 -2.693 1.00 0.00 N ATOM 227 CA VAL A 14 4.594 -3.176 -3.345 1.00 0.00 C ATOM 228 C VAL A 14 3.825 -4.298 -4.054 1.00 0.00 C ATOM 229 O VAL A 14 2.790 -4.748 -3.595 1.00 0.00 O ATOM 230 CB VAL A 14 5.416 -3.754 -2.192 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.436 -2.722 -1.709 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.490 -4.136 -1.037 1.00 0.00 C ATOM 0 H VAL A 14 2.715 -2.578 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 14 5.210 -2.691 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 14 5.942 -4.642 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.017 -3.142 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.104 -2.459 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.915 -1.829 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.080 -4.547 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.956 -3.251 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.772 -4.882 -1.378 1.00 0.00 H new ATOM 242 N GLU A 15 4.331 -4.765 -5.167 1.00 0.00 N ATOM 243 CA GLU A 15 3.639 -5.874 -5.894 1.00 0.00 C ATOM 244 C GLU A 15 4.192 -6.074 -7.312 1.00 0.00 C ATOM 245 O GLU A 15 5.103 -6.847 -7.530 1.00 0.00 O ATOM 246 CB GLU A 15 2.149 -5.502 -5.952 1.00 0.00 C ATOM 247 CG GLU A 15 1.947 -3.990 -6.128 1.00 0.00 C ATOM 248 CD GLU A 15 0.946 -3.500 -5.078 1.00 0.00 C ATOM 249 OE1 GLU A 15 -0.239 -3.701 -5.282 1.00 0.00 O ATOM 250 OE2 GLU A 15 1.381 -2.940 -4.085 1.00 0.00 O ATOM 0 H GLU A 15 5.190 -4.429 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 15 3.801 -6.816 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.674 -6.031 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.656 -5.831 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.897 -3.467 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.579 -3.773 -7.131 1.00 0.00 H new ATOM 257 N ASP A 16 3.611 -5.423 -8.283 1.00 0.00 N ATOM 258 CA ASP A 16 4.054 -5.614 -9.694 1.00 0.00 C ATOM 259 C ASP A 16 5.385 -4.918 -9.993 1.00 0.00 C ATOM 260 O ASP A 16 5.438 -3.930 -10.698 1.00 0.00 O ATOM 261 CB ASP A 16 2.936 -5.014 -10.537 1.00 0.00 C ATOM 262 CG ASP A 16 2.707 -5.882 -11.777 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.632 -6.573 -12.170 1.00 0.00 O ATOM 264 OD2 ASP A 16 1.611 -5.841 -12.311 1.00 0.00 O ATOM 0 H ASP A 16 2.844 -4.763 -8.159 1.00 0.00 H new ATOM 0 HA ASP A 16 4.229 -6.669 -9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.019 -4.950 -9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.196 -3.998 -10.834 1.00 0.00 H new ATOM 269 N GLU A 17 6.451 -5.464 -9.482 1.00 0.00 N ATOM 270 CA GLU A 17 7.820 -4.908 -9.724 1.00 0.00 C ATOM 271 C GLU A 17 7.812 -3.405 -10.063 1.00 0.00 C ATOM 272 O GLU A 17 7.737 -2.567 -9.188 1.00 0.00 O ATOM 273 CB GLU A 17 8.365 -5.720 -10.901 1.00 0.00 C ATOM 274 CG GLU A 17 9.071 -6.970 -10.377 1.00 0.00 C ATOM 275 CD GLU A 17 10.144 -7.403 -11.378 1.00 0.00 C ATOM 276 OE1 GLU A 17 9.785 -7.733 -12.496 1.00 0.00 O ATOM 277 OE2 GLU A 17 11.307 -7.395 -11.009 1.00 0.00 O ATOM 0 H GLU A 17 6.435 -6.295 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 17 8.432 -4.988 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.551 -6.002 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.060 -5.115 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.524 -6.766 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.350 -7.774 -10.229 1.00 0.00 H new ATOM 284 N SER A 18 7.926 -3.057 -11.322 1.00 0.00 N ATOM 285 CA SER A 18 7.971 -1.612 -11.699 1.00 0.00 C ATOM 286 C SER A 18 6.580 -1.058 -12.016 1.00 0.00 C ATOM 287 O SER A 18 6.414 0.131 -12.202 1.00 0.00 O ATOM 288 CB SER A 18 8.853 -1.569 -12.945 1.00 0.00 C ATOM 289 OG SER A 18 8.837 -0.257 -13.491 1.00 0.00 O ATOM 0 H SER A 18 7.990 -3.711 -12.102 1.00 0.00 H new ATOM 0 HA SER A 18 8.354 -1.000 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.873 -1.857 -12.692 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.494 -2.286 -13.683 1.00 0.00 H new ATOM 0 HG SER A 18 8.084 0.245 -13.114 1.00 0.00 H new ATOM 295 N MET A 19 5.576 -1.885 -12.076 1.00 0.00 N ATOM 296 CA MET A 19 4.217 -1.354 -12.375 1.00 0.00 C ATOM 297 C MET A 19 3.714 -0.566 -11.166 1.00 0.00 C ATOM 298 O MET A 19 2.952 0.372 -11.287 1.00 0.00 O ATOM 299 CB MET A 19 3.347 -2.583 -12.625 1.00 0.00 C ATOM 300 CG MET A 19 2.775 -2.524 -14.041 1.00 0.00 C ATOM 301 SD MET A 19 3.621 -3.737 -15.086 1.00 0.00 S ATOM 302 CE MET A 19 4.789 -2.591 -15.857 1.00 0.00 C ATOM 0 H MET A 19 5.634 -2.893 -11.933 1.00 0.00 H new ATOM 0 HA MET A 19 4.203 -0.684 -13.234 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.936 -3.491 -12.497 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.538 -2.623 -11.896 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.705 -2.729 -14.021 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.900 -1.523 -14.454 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.425 -3.135 -16.555 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.239 -1.818 -16.394 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.407 -2.129 -15.087 1.00 0.00 H new ATOM 312 N ILE A 20 4.159 -0.944 -10.002 1.00 0.00 N ATOM 313 CA ILE A 20 3.741 -0.230 -8.758 1.00 0.00 C ATOM 314 C ILE A 20 4.692 0.928 -8.483 1.00 0.00 C ATOM 315 O ILE A 20 4.340 1.908 -7.857 1.00 0.00 O ATOM 316 CB ILE A 20 3.851 -1.269 -7.640 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.788 -0.571 -6.280 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.179 -2.017 -7.741 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.703 -1.218 -5.415 1.00 0.00 C ATOM 0 H ILE A 20 4.800 -1.723 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 20 2.734 0.179 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 20 3.025 -1.974 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.754 -0.641 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.574 0.489 -6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.244 -2.753 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.239 -2.523 -8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.003 -1.309 -7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.662 -0.717 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.738 -1.125 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.936 -2.273 -5.268 1.00 0.00 H new ATOM 331 N ALA A 21 5.901 0.810 -8.939 1.00 0.00 N ATOM 332 CA ALA A 21 6.899 1.883 -8.705 1.00 0.00 C ATOM 333 C ALA A 21 6.371 3.230 -9.207 1.00 0.00 C ATOM 334 O ALA A 21 5.911 4.047 -8.436 1.00 0.00 O ATOM 335 CB ALA A 21 8.116 1.432 -9.497 1.00 0.00 C ATOM 0 H ALA A 21 6.245 0.009 -9.469 1.00 0.00 H new ATOM 0 HA ALA A 21 7.127 2.030 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.915 2.166 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.456 0.466 -9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.851 1.340 -10.550 1.00 0.00 H new ATOM 341 N MET A 22 6.412 3.474 -10.490 1.00 0.00 N ATOM 342 CA MET A 22 5.882 4.771 -10.996 1.00 0.00 C ATOM 343 C MET A 22 4.465 4.953 -10.459 1.00 0.00 C ATOM 344 O MET A 22 3.951 6.049 -10.362 1.00 0.00 O ATOM 345 CB MET A 22 5.876 4.641 -12.520 1.00 0.00 C ATOM 346 CG MET A 22 7.062 5.411 -13.105 1.00 0.00 C ATOM 347 SD MET A 22 8.349 4.244 -13.615 1.00 0.00 S ATOM 348 CE MET A 22 8.014 4.306 -15.392 1.00 0.00 C ATOM 0 H MET A 22 6.784 2.842 -11.199 1.00 0.00 H new ATOM 0 HA MET A 22 6.475 5.631 -10.683 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.935 3.591 -12.806 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.942 5.030 -12.925 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.737 6.006 -13.958 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.459 6.106 -12.365 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.706 3.647 -15.916 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.991 3.982 -15.581 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.143 5.327 -15.751 1.00 0.00 H new ATOM 358 N LEU A 23 3.841 3.866 -10.103 1.00 0.00 N ATOM 359 CA LEU A 23 2.459 3.919 -9.559 1.00 0.00 C ATOM 360 C LEU A 23 2.415 4.726 -8.256 1.00 0.00 C ATOM 361 O LEU A 23 1.437 5.382 -7.961 1.00 0.00 O ATOM 362 CB LEU A 23 2.115 2.459 -9.283 1.00 0.00 C ATOM 363 CG LEU A 23 0.727 2.143 -9.832 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.449 0.649 -9.668 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.323 2.946 -9.060 1.00 0.00 C ATOM 0 H LEU A 23 4.238 2.929 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 23 1.762 4.400 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.856 1.807 -9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.145 2.265 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 23 0.681 2.410 -10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.542 0.418 -10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.198 0.077 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.493 0.385 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.315 2.720 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.281 2.679 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.122 4.011 -9.173 1.00 0.00 H new ATOM 377 N ILE A 24 3.456 4.675 -7.467 1.00 0.00 N ATOM 378 CA ILE A 24 3.444 5.434 -6.181 1.00 0.00 C ATOM 379 C ILE A 24 4.288 6.707 -6.290 1.00 0.00 C ATOM 380 O ILE A 24 3.885 7.767 -5.851 1.00 0.00 O ATOM 381 CB ILE A 24 4.033 4.483 -5.134 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.859 5.103 -3.743 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.522 4.253 -5.408 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.755 4.381 -2.733 1.00 0.00 C ATOM 0 H ILE A 24 4.307 4.146 -7.655 1.00 0.00 H new ATOM 0 HA ILE A 24 2.436 5.752 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 24 3.514 3.526 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.112 6.163 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.817 5.033 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.930 3.576 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.646 3.815 -6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.051 5.205 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.625 4.828 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.481 3.327 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.797 4.474 -3.039 1.00 0.00 H new ATOM 396 N GLU A 25 5.456 6.614 -6.859 1.00 0.00 N ATOM 397 CA GLU A 25 6.318 7.822 -6.979 1.00 0.00 C ATOM 398 C GLU A 25 5.597 8.908 -7.779 1.00 0.00 C ATOM 399 O GLU A 25 5.898 10.079 -7.663 1.00 0.00 O ATOM 400 CB GLU A 25 7.573 7.345 -7.710 1.00 0.00 C ATOM 401 CG GLU A 25 8.403 6.467 -6.770 1.00 0.00 C ATOM 402 CD GLU A 25 9.856 6.946 -6.773 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.412 7.084 -7.850 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.387 7.168 -5.698 1.00 0.00 O ATOM 0 H GLU A 25 5.851 5.756 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 25 6.560 8.257 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.297 6.783 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.162 8.200 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.996 6.512 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.352 5.426 -7.088 1.00 0.00 H new ATOM 411 N ASP A 26 4.644 8.533 -8.587 1.00 0.00 N ATOM 412 CA ASP A 26 3.911 9.555 -9.385 1.00 0.00 C ATOM 413 C ASP A 26 2.724 10.102 -8.580 1.00 0.00 C ATOM 414 O ASP A 26 2.571 11.299 -8.432 1.00 0.00 O ATOM 415 CB ASP A 26 3.462 8.824 -10.660 1.00 0.00 C ATOM 416 CG ASP A 26 2.090 8.174 -10.457 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.012 7.234 -9.684 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.143 8.631 -11.076 1.00 0.00 O ATOM 0 H ASP A 26 4.343 7.569 -8.729 1.00 0.00 H new ATOM 0 HA ASP A 26 4.527 10.420 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.417 9.527 -11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.195 8.062 -10.926 1.00 0.00 H new ATOM 423 N THR A 27 1.892 9.250 -8.038 1.00 0.00 N ATOM 424 CA THR A 27 0.752 9.762 -7.234 1.00 0.00 C ATOM 425 C THR A 27 1.313 10.498 -6.022 1.00 0.00 C ATOM 426 O THR A 27 0.757 11.471 -5.552 1.00 0.00 O ATOM 427 CB THR A 27 -0.043 8.529 -6.808 1.00 0.00 C ATOM 428 OG1 THR A 27 0.766 7.371 -6.954 1.00 0.00 O ATOM 429 CG2 THR A 27 -1.291 8.401 -7.682 1.00 0.00 C ATOM 0 H THR A 27 1.954 8.235 -8.118 1.00 0.00 H new ATOM 0 HA THR A 27 0.116 10.454 -7.785 1.00 0.00 H new ATOM 0 HB THR A 27 -0.343 8.630 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.520 6.902 -7.779 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.859 7.521 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.910 9.291 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.995 8.300 -8.726 1.00 0.00 H new ATOM 437 N LEU A 28 2.435 10.046 -5.534 1.00 0.00 N ATOM 438 CA LEU A 28 3.076 10.717 -4.374 1.00 0.00 C ATOM 439 C LEU A 28 3.559 12.099 -4.807 1.00 0.00 C ATOM 440 O LEU A 28 3.485 13.059 -4.067 1.00 0.00 O ATOM 441 CB LEU A 28 4.262 9.822 -4.021 1.00 0.00 C ATOM 442 CG LEU A 28 4.799 10.197 -2.643 1.00 0.00 C ATOM 443 CD1 LEU A 28 5.076 8.921 -1.847 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.098 10.990 -2.801 1.00 0.00 C ATOM 0 H LEU A 28 2.937 9.234 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 28 2.404 10.852 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.956 8.776 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.047 9.931 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 28 4.064 10.806 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.460 9.183 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.152 8.353 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.813 8.316 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.482 11.258 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.835 10.381 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.903 11.897 -3.374 1.00 0.00 H new ATOM 456 N CYS A 29 4.046 12.203 -6.015 1.00 0.00 N ATOM 457 CA CYS A 29 4.527 13.518 -6.516 1.00 0.00 C ATOM 458 C CYS A 29 3.436 14.574 -6.315 1.00 0.00 C ATOM 459 O CYS A 29 3.708 15.708 -5.975 1.00 0.00 O ATOM 460 CB CYS A 29 4.804 13.298 -8.003 1.00 0.00 C ATOM 461 SG CYS A 29 6.592 13.276 -8.286 1.00 0.00 S ATOM 0 H CYS A 29 4.130 11.431 -6.676 1.00 0.00 H new ATOM 0 HA CYS A 29 5.415 13.870 -5.991 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.361 12.358 -8.331 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.341 14.090 -8.591 1.00 0.00 H new ATOM 0 HG CYS A 29 7.030 12.055 -8.202 1.00 0.00 H new ATOM 467 N GLU A 30 2.200 14.203 -6.520 1.00 0.00 N ATOM 468 CA GLU A 30 1.085 15.168 -6.340 1.00 0.00 C ATOM 469 C GLU A 30 0.468 15.013 -4.944 1.00 0.00 C ATOM 470 O GLU A 30 -0.048 15.955 -4.375 1.00 0.00 O ATOM 471 CB GLU A 30 0.063 14.805 -7.422 1.00 0.00 C ATOM 472 CG GLU A 30 0.438 15.495 -8.737 1.00 0.00 C ATOM 473 CD GLU A 30 -0.775 15.516 -9.672 1.00 0.00 C ATOM 474 OE1 GLU A 30 -1.629 14.657 -9.523 1.00 0.00 O ATOM 475 OE2 GLU A 30 -0.827 16.389 -10.523 1.00 0.00 O ATOM 0 H GLU A 30 1.917 13.266 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 30 1.419 16.202 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.035 13.724 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.935 15.112 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.777 16.513 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.266 14.969 -9.212 1.00 0.00 H new ATOM 482 N LEU A 31 0.515 13.829 -4.391 1.00 0.00 N ATOM 483 CA LEU A 31 -0.073 13.611 -3.035 1.00 0.00 C ATOM 484 C LEU A 31 0.837 14.203 -1.953 1.00 0.00 C ATOM 485 O LEU A 31 0.421 15.032 -1.167 1.00 0.00 O ATOM 486 CB LEU A 31 -0.160 12.090 -2.884 1.00 0.00 C ATOM 487 CG LEU A 31 -1.388 11.569 -3.634 1.00 0.00 C ATOM 488 CD1 LEU A 31 -1.163 10.108 -4.028 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.617 11.666 -2.727 1.00 0.00 C ATOM 0 H LEU A 31 0.935 13.004 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.045 14.093 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.743 11.623 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.225 11.822 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.547 12.168 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.037 9.736 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.287 10.036 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.005 9.509 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.493 11.295 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.456 11.066 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.778 12.706 -2.443 1.00 0.00 H new ATOM 501 N GLY A 32 2.076 13.790 -1.905 1.00 0.00 N ATOM 502 CA GLY A 32 3.000 14.340 -0.873 1.00 0.00 C ATOM 503 C GLY A 32 3.519 13.211 0.024 1.00 0.00 C ATOM 504 O GLY A 32 4.384 13.418 0.851 1.00 0.00 O ATOM 0 H GLY A 32 2.486 13.099 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.837 14.846 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.482 15.085 -0.270 1.00 0.00 H new ATOM 508 N HIS A 33 3.000 12.022 -0.122 1.00 0.00 N ATOM 509 CA HIS A 33 3.477 10.897 0.738 1.00 0.00 C ATOM 510 C HIS A 33 5.009 10.917 0.834 1.00 0.00 C ATOM 511 O HIS A 33 5.675 11.629 0.111 1.00 0.00 O ATOM 512 CB HIS A 33 2.992 9.624 0.043 1.00 0.00 C ATOM 513 CG HIS A 33 1.589 9.314 0.483 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.504 9.421 -0.374 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.077 8.894 1.685 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.595 9.070 0.318 1.00 0.00 C ATOM 517 NE2 HIS A 33 -0.302 8.740 1.579 1.00 0.00 N ATOM 0 H HIS A 33 2.272 11.780 -0.794 1.00 0.00 H new ATOM 0 HA HIS A 33 3.096 10.967 1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.025 9.753 -1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.652 8.791 0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.656 8.711 2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.593 9.057 -0.095 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.950 8.440 2.307 1.00 0.00 H new ATOM 525 N GLU A 34 5.573 10.146 1.727 1.00 0.00 N ATOM 526 CA GLU A 34 7.062 10.131 1.875 1.00 0.00 C ATOM 527 C GLU A 34 7.650 8.837 1.304 1.00 0.00 C ATOM 528 O GLU A 34 8.277 8.076 2.012 1.00 0.00 O ATOM 529 CB GLU A 34 7.308 10.207 3.383 1.00 0.00 C ATOM 530 CG GLU A 34 8.774 10.560 3.648 1.00 0.00 C ATOM 531 CD GLU A 34 9.413 9.484 4.528 1.00 0.00 C ATOM 532 OE1 GLU A 34 8.684 8.833 5.260 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.620 9.327 4.455 1.00 0.00 O ATOM 0 H GLU A 34 5.069 9.526 2.361 1.00 0.00 H new ATOM 0 HA GLU A 34 7.534 10.953 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.656 10.957 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.063 9.253 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.315 10.641 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.841 11.531 4.138 1.00 0.00 H new ATOM 540 N VAL A 35 7.447 8.598 0.029 1.00 0.00 N ATOM 541 CA VAL A 35 7.979 7.358 -0.637 1.00 0.00 C ATOM 542 C VAL A 35 8.161 6.222 0.375 1.00 0.00 C ATOM 543 O VAL A 35 9.160 6.140 1.061 1.00 0.00 O ATOM 544 CB VAL A 35 9.325 7.766 -1.245 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.205 8.430 -0.182 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.032 6.520 -1.789 1.00 0.00 C ATOM 0 H VAL A 35 6.927 9.219 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 35 7.289 6.984 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 35 9.152 8.476 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.159 8.716 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.703 9.318 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.380 7.730 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.990 6.806 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.198 5.812 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.411 6.055 -2.555 1.00 0.00 H new ATOM 556 N ALA A 36 7.197 5.352 0.486 1.00 0.00 N ATOM 557 CA ALA A 36 7.313 4.243 1.466 1.00 0.00 C ATOM 558 C ALA A 36 7.817 2.954 0.795 1.00 0.00 C ATOM 559 O ALA A 36 8.975 2.607 0.917 1.00 0.00 O ATOM 560 CB ALA A 36 5.902 4.072 2.025 1.00 0.00 C ATOM 0 H ALA A 36 6.335 5.363 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 36 8.037 4.461 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.897 3.268 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.584 5.000 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.217 3.826 1.214 1.00 0.00 H new ATOM 566 N ALA A 37 6.974 2.230 0.101 1.00 0.00 N ATOM 567 CA ALA A 37 7.457 0.969 -0.542 1.00 0.00 C ATOM 568 C ALA A 37 7.131 0.947 -2.039 1.00 0.00 C ATOM 569 O ALA A 37 6.155 1.517 -2.486 1.00 0.00 O ATOM 570 CB ALA A 37 6.714 -0.155 0.180 1.00 0.00 C ATOM 0 H ALA A 37 5.989 2.452 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 37 8.540 0.870 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.015 -1.116 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.956 -0.128 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.640 -0.024 0.049 1.00 0.00 H new ATOM 576 N THR A 38 7.947 0.274 -2.812 1.00 0.00 N ATOM 577 CA THR A 38 7.710 0.181 -4.281 1.00 0.00 C ATOM 578 C THR A 38 8.027 -1.241 -4.759 1.00 0.00 C ATOM 579 O THR A 38 8.889 -1.905 -4.219 1.00 0.00 O ATOM 580 CB THR A 38 8.682 1.184 -4.908 1.00 0.00 C ATOM 581 OG1 THR A 38 8.734 0.975 -6.313 1.00 0.00 O ATOM 582 CG2 THR A 38 10.076 0.989 -4.308 1.00 0.00 C ATOM 0 H THR A 38 8.776 -0.220 -2.481 1.00 0.00 H new ATOM 0 HA THR A 38 6.677 0.398 -4.554 1.00 0.00 H new ATOM 0 HB THR A 38 8.341 2.199 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.354 1.617 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.768 1.703 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.034 1.150 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.421 -0.025 -4.511 1.00 0.00 H new ATOM 590 N ALA A 39 7.335 -1.719 -5.755 1.00 0.00 N ATOM 591 CA ALA A 39 7.605 -3.104 -6.242 1.00 0.00 C ATOM 592 C ALA A 39 7.396 -4.080 -5.094 1.00 0.00 C ATOM 593 O ALA A 39 7.193 -3.677 -3.977 1.00 0.00 O ATOM 594 CB ALA A 39 9.068 -3.097 -6.664 1.00 0.00 C ATOM 0 H ALA A 39 6.599 -1.216 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 39 6.950 -3.400 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.344 -4.084 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.216 -2.358 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.693 -2.844 -5.807 1.00 0.00 H new ATOM 600 N SER A 40 7.446 -5.357 -5.334 1.00 0.00 N ATOM 601 CA SER A 40 7.252 -6.298 -4.200 1.00 0.00 C ATOM 602 C SER A 40 8.608 -6.725 -3.652 1.00 0.00 C ATOM 603 O SER A 40 9.396 -7.358 -4.326 1.00 0.00 O ATOM 604 CB SER A 40 6.473 -7.478 -4.762 1.00 0.00 C ATOM 605 OG SER A 40 7.314 -8.233 -5.624 1.00 0.00 O ATOM 0 H SER A 40 7.609 -5.784 -6.246 1.00 0.00 H new ATOM 0 HA SER A 40 6.707 -5.845 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.108 -8.107 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.599 -7.124 -5.308 1.00 0.00 H new ATOM 0 HG SER A 40 8.250 -8.099 -5.367 1.00 0.00 H new ATOM 611 N ARG A 41 8.891 -6.361 -2.433 1.00 0.00 N ATOM 612 CA ARG A 41 10.197 -6.714 -1.832 1.00 0.00 C ATOM 613 C ARG A 41 9.996 -7.455 -0.509 1.00 0.00 C ATOM 614 O ARG A 41 9.091 -7.163 0.247 1.00 0.00 O ATOM 615 CB ARG A 41 10.881 -5.369 -1.597 1.00 0.00 C ATOM 616 CG ARG A 41 12.396 -5.564 -1.549 1.00 0.00 C ATOM 617 CD ARG A 41 12.947 -5.592 -2.975 1.00 0.00 C ATOM 618 NE ARG A 41 14.218 -4.820 -2.908 1.00 0.00 N ATOM 619 CZ ARG A 41 14.404 -3.800 -3.700 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.857 -3.987 -4.909 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.137 -2.594 -3.282 1.00 0.00 N ATOM 0 H ARG A 41 8.266 -5.830 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 41 10.785 -7.374 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.619 -4.673 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.531 -4.930 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.860 -4.756 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.638 -6.494 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.122 -6.614 -3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.247 -5.141 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 41 14.943 -5.088 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.066 -4.931 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.002 -3.190 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.783 -2.449 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.282 -1.796 -3.901 1.00 0.00 H new ATOM 635 N MET A 42 10.833 -8.413 -0.226 1.00 0.00 N ATOM 636 CA MET A 42 10.693 -9.173 1.041 1.00 0.00 C ATOM 637 C MET A 42 11.394 -8.434 2.182 1.00 0.00 C ATOM 638 O MET A 42 11.048 -8.585 3.335 1.00 0.00 O ATOM 639 CB MET A 42 11.360 -10.522 0.768 1.00 0.00 C ATOM 640 CG MET A 42 10.812 -11.105 -0.538 1.00 0.00 C ATOM 641 SD MET A 42 12.186 -11.638 -1.588 1.00 0.00 S ATOM 642 CE MET A 42 12.330 -13.323 -0.942 1.00 0.00 C ATOM 0 H MET A 42 11.610 -8.701 -0.821 1.00 0.00 H new ATOM 0 HA MET A 42 9.652 -9.292 1.342 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.441 -10.398 0.699 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.170 -11.208 1.593 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.156 -11.949 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.212 -10.358 -1.058 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.135 -13.844 -1.460 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.550 -13.286 0.125 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.392 -13.855 -1.101 1.00 0.00 H new ATOM 652 N GLN A 43 12.374 -7.632 1.867 1.00 0.00 N ATOM 653 CA GLN A 43 13.096 -6.875 2.930 1.00 0.00 C ATOM 654 C GLN A 43 12.323 -5.602 3.286 1.00 0.00 C ATOM 655 O GLN A 43 12.007 -5.357 4.434 1.00 0.00 O ATOM 656 CB GLN A 43 14.452 -6.523 2.316 1.00 0.00 C ATOM 657 CG GLN A 43 15.401 -6.046 3.416 1.00 0.00 C ATOM 658 CD GLN A 43 16.595 -5.325 2.787 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.427 -4.485 1.925 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.801 -5.619 3.185 1.00 0.00 N ATOM 0 H GLN A 43 12.707 -7.468 0.917 1.00 0.00 H new ATOM 0 HA GLN A 43 13.203 -7.452 3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.871 -7.393 1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.331 -5.745 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.877 -5.376 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.746 -6.895 4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.942 -6.324 3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.604 -5.144 2.773 1.00 0.00 H new ATOM 669 N GLU A 44 12.015 -4.793 2.309 1.00 0.00 N ATOM 670 CA GLU A 44 11.263 -3.538 2.588 1.00 0.00 C ATOM 671 C GLU A 44 9.912 -3.870 3.221 1.00 0.00 C ATOM 672 O GLU A 44 9.492 -3.243 4.172 1.00 0.00 O ATOM 673 CB GLU A 44 11.071 -2.875 1.227 1.00 0.00 C ATOM 674 CG GLU A 44 12.438 -2.635 0.587 1.00 0.00 C ATOM 675 CD GLU A 44 12.764 -1.141 0.628 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.903 -0.356 0.265 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.870 -0.807 1.020 1.00 0.00 O ATOM 0 H GLU A 44 12.252 -4.948 1.329 1.00 0.00 H new ATOM 0 HA GLU A 44 11.790 -2.885 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.461 -3.509 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.539 -1.931 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.204 -3.200 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.436 -2.990 -0.444 1.00 0.00 H new ATOM 684 N ALA A 45 9.236 -4.863 2.711 1.00 0.00 N ATOM 685 CA ALA A 45 7.923 -5.241 3.302 1.00 0.00 C ATOM 686 C ALA A 45 8.152 -5.707 4.736 1.00 0.00 C ATOM 687 O ALA A 45 7.363 -5.453 5.624 1.00 0.00 O ATOM 688 CB ALA A 45 7.407 -6.389 2.437 1.00 0.00 C ATOM 0 H ALA A 45 9.535 -5.426 1.915 1.00 0.00 H new ATOM 0 HA ALA A 45 7.210 -4.417 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.440 -6.722 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.298 -6.048 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.114 -7.218 2.472 1.00 0.00 H new ATOM 694 N LEU A 46 9.245 -6.377 4.965 1.00 0.00 N ATOM 695 CA LEU A 46 9.559 -6.851 6.335 1.00 0.00 C ATOM 696 C LEU A 46 9.495 -5.670 7.301 1.00 0.00 C ATOM 697 O LEU A 46 9.146 -5.814 8.456 1.00 0.00 O ATOM 698 CB LEU A 46 10.985 -7.390 6.228 1.00 0.00 C ATOM 699 CG LEU A 46 11.214 -8.489 7.267 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.213 -7.882 8.670 1.00 0.00 C ATOM 701 CD2 LEU A 46 10.104 -9.536 7.161 1.00 0.00 C ATOM 0 H LEU A 46 9.937 -6.617 4.256 1.00 0.00 H new ATOM 0 HA LEU A 46 8.865 -7.607 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.158 -7.784 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.700 -6.581 6.380 1.00 0.00 H new ATOM 0 HG LEU A 46 12.178 -8.963 7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.376 -8.668 9.407 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.009 -7.142 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.252 -7.402 8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.269 -10.318 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.139 -9.063 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.112 -9.975 6.163 1.00 0.00 H new ATOM 713 N ASP A 47 9.828 -4.498 6.832 1.00 0.00 N ATOM 714 CA ASP A 47 9.783 -3.307 7.716 1.00 0.00 C ATOM 715 C ASP A 47 8.326 -2.869 7.927 1.00 0.00 C ATOM 716 O ASP A 47 7.882 -2.678 9.042 1.00 0.00 O ATOM 717 CB ASP A 47 10.618 -2.235 6.986 1.00 0.00 C ATOM 718 CG ASP A 47 9.719 -1.141 6.393 1.00 0.00 C ATOM 719 OD1 ASP A 47 9.145 -0.392 7.166 1.00 0.00 O ATOM 720 OD2 ASP A 47 9.624 -1.073 5.179 1.00 0.00 O ATOM 0 H ASP A 47 10.129 -4.318 5.874 1.00 0.00 H new ATOM 0 HA ASP A 47 10.186 -3.497 8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.329 -1.788 7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.200 -2.702 6.191 1.00 0.00 H new ATOM 725 N ILE A 48 7.578 -2.713 6.866 1.00 0.00 N ATOM 726 CA ILE A 48 6.153 -2.288 7.028 1.00 0.00 C ATOM 727 C ILE A 48 5.409 -3.338 7.858 1.00 0.00 C ATOM 728 O ILE A 48 4.491 -3.031 8.592 1.00 0.00 O ATOM 729 CB ILE A 48 5.550 -2.150 5.611 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.940 -3.482 5.149 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.627 -1.706 4.616 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.498 -3.373 3.686 1.00 0.00 C ATOM 0 H ILE A 48 7.886 -2.859 5.905 1.00 0.00 H new ATOM 0 HA ILE A 48 6.070 -1.335 7.550 1.00 0.00 H new ATOM 0 HB ILE A 48 4.763 -1.396 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.670 -4.284 5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.087 -3.739 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.188 -1.613 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.033 -0.743 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.427 -2.446 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.066 -4.321 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.753 -2.584 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.360 -3.137 3.062 1.00 0.00 H new ATOM 744 N ALA A 49 5.816 -4.574 7.760 1.00 0.00 N ATOM 745 CA ALA A 49 5.155 -5.638 8.559 1.00 0.00 C ATOM 746 C ALA A 49 5.482 -5.417 10.033 1.00 0.00 C ATOM 747 O ALA A 49 4.611 -5.375 10.878 1.00 0.00 O ATOM 748 CB ALA A 49 5.765 -6.949 8.060 1.00 0.00 C ATOM 0 H ALA A 49 6.578 -4.891 7.160 1.00 0.00 H new ATOM 0 HA ALA A 49 4.070 -5.642 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.326 -7.785 8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.562 -7.063 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.842 -6.935 8.225 1.00 0.00 H new ATOM 754 N ARG A 50 6.739 -5.254 10.339 1.00 0.00 N ATOM 755 CA ARG A 50 7.138 -5.011 11.745 1.00 0.00 C ATOM 756 C ARG A 50 6.881 -3.546 12.097 1.00 0.00 C ATOM 757 O ARG A 50 7.003 -3.139 13.236 1.00 0.00 O ATOM 758 CB ARG A 50 8.634 -5.323 11.794 1.00 0.00 C ATOM 759 CG ARG A 50 8.833 -6.811 12.083 1.00 0.00 C ATOM 760 CD ARG A 50 8.296 -7.637 10.912 1.00 0.00 C ATOM 761 NE ARG A 50 8.356 -9.047 11.381 1.00 0.00 N ATOM 762 CZ ARG A 50 7.289 -9.619 11.870 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.296 -8.886 12.299 1.00 0.00 N ATOM 764 NH2 ARG A 50 7.215 -10.920 11.929 1.00 0.00 N ATOM 0 H ARG A 50 7.508 -5.280 9.669 1.00 0.00 H new ATOM 0 HA ARG A 50 6.579 -5.621 12.455 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.103 -5.059 10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.117 -4.724 12.566 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.891 -7.024 12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.316 -7.086 13.002 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.276 -7.348 10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.900 -7.492 10.016 1.00 0.00 H new ATOM 0 HE ARG A 50 9.231 -9.567 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.355 -7.869 12.252 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.462 -9.331 12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.991 -11.491 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.381 -11.367 12.311 1.00 0.00 H new ATOM 778 N LYS A 51 6.527 -2.749 11.123 1.00 0.00 N ATOM 779 CA LYS A 51 6.263 -1.312 11.398 1.00 0.00 C ATOM 780 C LYS A 51 5.060 -1.174 12.321 1.00 0.00 C ATOM 781 O LYS A 51 5.127 -0.535 13.352 1.00 0.00 O ATOM 782 CB LYS A 51 5.928 -0.702 10.038 1.00 0.00 C ATOM 783 CG LYS A 51 7.121 0.082 9.488 1.00 0.00 C ATOM 784 CD LYS A 51 7.586 1.127 10.508 1.00 0.00 C ATOM 785 CE LYS A 51 8.622 2.047 9.856 1.00 0.00 C ATOM 786 NZ LYS A 51 8.052 3.418 9.975 1.00 0.00 N ATOM 0 H LYS A 51 6.410 -3.034 10.151 1.00 0.00 H new ATOM 0 HA LYS A 51 7.113 -0.825 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.651 -1.491 9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.065 -0.042 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.939 -0.601 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.844 0.573 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.736 1.711 10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.018 0.634 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.586 1.975 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.787 1.778 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.656 4.091 9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.095 3.432 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.007 3.689 10.978 1.00 0.00 H new ATOM 800 N GLY A 52 3.960 -1.772 11.955 1.00 0.00 N ATOM 801 CA GLY A 52 2.739 -1.680 12.801 1.00 0.00 C ATOM 802 C GLY A 52 2.239 -0.231 12.830 1.00 0.00 C ATOM 803 O GLY A 52 1.108 0.052 12.488 1.00 0.00 O ATOM 0 H GLY A 52 3.855 -2.322 11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.962 -2.335 12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.960 -2.019 13.813 1.00 0.00 H new ATOM 807 N GLN A 53 3.069 0.688 13.249 1.00 0.00 N ATOM 808 CA GLN A 53 2.645 2.115 13.317 1.00 0.00 C ATOM 809 C GLN A 53 2.597 2.758 11.923 1.00 0.00 C ATOM 810 O GLN A 53 1.877 3.714 11.710 1.00 0.00 O ATOM 811 CB GLN A 53 3.708 2.793 14.183 1.00 0.00 C ATOM 812 CG GLN A 53 5.051 2.784 13.449 1.00 0.00 C ATOM 813 CD GLN A 53 5.277 4.142 12.781 1.00 0.00 C ATOM 814 OE1 GLN A 53 4.355 4.735 12.258 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.474 4.662 12.776 1.00 0.00 N ATOM 0 H GLN A 53 4.027 0.509 13.548 1.00 0.00 H new ATOM 0 HA GLN A 53 1.640 2.216 13.727 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.411 3.818 14.406 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.800 2.273 15.137 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.859 2.573 14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.063 1.992 12.700 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.248 4.164 13.215 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.635 5.566 12.333 1.00 0.00 H new ATOM 824 N PHE A 54 3.347 2.260 10.971 1.00 0.00 N ATOM 825 CA PHE A 54 3.308 2.884 9.611 1.00 0.00 C ATOM 826 C PHE A 54 1.854 3.147 9.210 1.00 0.00 C ATOM 827 O PHE A 54 0.934 2.675 9.848 1.00 0.00 O ATOM 828 CB PHE A 54 3.997 1.896 8.667 1.00 0.00 C ATOM 829 CG PHE A 54 3.072 0.762 8.292 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.086 0.316 9.181 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.227 0.137 7.049 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.259 -0.755 8.825 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.399 -0.928 6.692 1.00 0.00 C ATOM 834 CZ PHE A 54 1.415 -1.378 7.579 1.00 0.00 C ATOM 0 H PHE A 54 3.975 1.462 11.072 1.00 0.00 H new ATOM 0 HA PHE A 54 3.819 3.846 9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.322 2.416 7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.891 1.496 9.145 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.964 0.798 10.140 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.989 0.480 6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.500 -1.102 9.511 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.518 -1.405 5.730 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.776 -2.204 7.304 1.00 0.00 H new ATOM 844 N ASP A 55 1.632 3.937 8.195 1.00 0.00 N ATOM 845 CA ASP A 55 0.228 4.268 7.813 1.00 0.00 C ATOM 846 C ASP A 55 -0.409 3.242 6.865 1.00 0.00 C ATOM 847 O ASP A 55 -1.552 2.873 7.047 1.00 0.00 O ATOM 848 CB ASP A 55 0.317 5.638 7.138 1.00 0.00 C ATOM 849 CG ASP A 55 -0.087 6.721 8.140 1.00 0.00 C ATOM 850 OD1 ASP A 55 -1.172 6.616 8.690 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.695 7.634 8.345 1.00 0.00 O ATOM 0 H ASP A 55 2.355 4.365 7.617 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.413 4.262 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.332 5.816 6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.337 5.670 6.266 1.00 0.00 H new ATOM 856 N ILE A 56 0.263 2.798 5.834 1.00 0.00 N ATOM 857 CA ILE A 56 -0.427 1.843 4.911 1.00 0.00 C ATOM 858 C ILE A 56 0.508 0.767 4.346 1.00 0.00 C ATOM 859 O ILE A 56 1.713 0.902 4.371 1.00 0.00 O ATOM 860 CB ILE A 56 -0.967 2.752 3.809 1.00 0.00 C ATOM 861 CG1 ILE A 56 -2.059 3.645 4.423 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.521 1.905 2.659 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.945 4.256 3.336 1.00 0.00 C ATOM 0 H ILE A 56 1.224 3.042 5.595 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.201 1.270 5.422 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.174 3.379 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.671 3.058 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.597 4.439 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.904 2.560 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.726 1.280 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.327 1.272 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.708 4.882 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.334 4.862 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.425 3.459 2.767 1.00 0.00 H new ATOM 875 N ALA A 57 -0.058 -0.324 3.860 1.00 0.00 N ATOM 876 CA ALA A 57 0.783 -1.441 3.318 1.00 0.00 C ATOM 877 C ALA A 57 0.119 -2.138 2.117 1.00 0.00 C ATOM 878 O ALA A 57 -0.744 -2.968 2.291 1.00 0.00 O ATOM 879 CB ALA A 57 0.830 -2.422 4.479 1.00 0.00 C ATOM 0 H ALA A 57 -1.065 -0.484 3.818 1.00 0.00 H new ATOM 0 HA ALA A 57 1.753 -1.085 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.425 -3.291 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.281 -1.939 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.182 -2.741 4.727 1.00 0.00 H new ATOM 885 N ILE A 58 0.540 -1.872 0.906 1.00 0.00 N ATOM 886 CA ILE A 58 -0.082 -2.589 -0.245 1.00 0.00 C ATOM 887 C ILE A 58 0.890 -3.643 -0.766 1.00 0.00 C ATOM 888 O ILE A 58 2.004 -3.351 -1.154 1.00 0.00 O ATOM 889 CB ILE A 58 -0.376 -1.527 -1.303 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.543 -0.662 -0.834 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.751 -2.200 -2.626 1.00 0.00 C ATOM 892 CD1 ILE A 58 -1.012 0.453 0.062 1.00 0.00 C ATOM 0 H ILE A 58 1.273 -1.203 0.668 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.000 -3.106 0.035 1.00 0.00 H new ATOM 0 HB ILE A 58 0.511 -0.910 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.065 -0.238 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.266 -1.269 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.959 -1.437 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.076 -2.825 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.637 -2.818 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.841 1.074 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.509 0.018 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.305 1.065 -0.499 1.00 0.00 H new ATOM 904 N ILE A 59 0.467 -4.870 -0.755 1.00 0.00 N ATOM 905 CA ILE A 59 1.335 -5.989 -1.217 1.00 0.00 C ATOM 906 C ILE A 59 0.481 -7.037 -1.937 1.00 0.00 C ATOM 907 O ILE A 59 0.096 -8.030 -1.360 1.00 0.00 O ATOM 908 CB ILE A 59 1.912 -6.586 0.068 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.830 -5.578 0.768 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.710 -7.836 -0.276 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.511 -5.560 2.265 1.00 0.00 C ATOM 0 H ILE A 59 -0.461 -5.154 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 59 2.111 -5.660 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 59 1.090 -6.836 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.874 -5.848 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.690 -4.584 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.124 -8.266 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.056 -8.564 -0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.522 -7.574 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.162 -4.844 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.471 -5.270 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.673 -6.553 2.684 1.00 0.00 H new ATOM 923 N ASP A 60 0.181 -6.820 -3.187 1.00 0.00 N ATOM 924 CA ASP A 60 -0.659 -7.801 -3.945 1.00 0.00 C ATOM 925 C ASP A 60 -0.310 -9.239 -3.547 1.00 0.00 C ATOM 926 O ASP A 60 0.838 -9.572 -3.339 1.00 0.00 O ATOM 927 CB ASP A 60 -0.308 -7.562 -5.409 1.00 0.00 C ATOM 928 CG ASP A 60 -0.859 -6.207 -5.856 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.692 -5.666 -5.148 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.437 -5.733 -6.898 1.00 0.00 O ATOM 0 H ASP A 60 0.480 -6.004 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.722 -7.669 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.773 -7.588 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.725 -8.357 -6.027 1.00 0.00 H new ATOM 935 N VAL A 61 -1.298 -10.092 -3.439 1.00 0.00 N ATOM 936 CA VAL A 61 -1.027 -11.508 -3.051 1.00 0.00 C ATOM 937 C VAL A 61 -1.095 -12.425 -4.280 1.00 0.00 C ATOM 938 O VAL A 61 -1.081 -13.634 -4.164 1.00 0.00 O ATOM 939 CB VAL A 61 -2.119 -11.851 -2.023 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.344 -12.459 -2.717 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.562 -12.852 -1.008 1.00 0.00 C ATOM 0 H VAL A 61 -2.280 -9.868 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.030 -11.644 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.423 -10.935 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.104 -12.694 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.748 -11.745 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.052 -13.371 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.333 -13.097 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.250 -13.759 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.705 -12.413 -0.497 1.00 0.00 H new ATOM 951 N ASN A 62 -1.167 -11.862 -5.455 1.00 0.00 N ATOM 952 CA ASN A 62 -1.233 -12.711 -6.682 1.00 0.00 C ATOM 953 C ASN A 62 -0.703 -11.950 -7.895 1.00 0.00 C ATOM 954 O ASN A 62 -0.909 -12.344 -9.026 1.00 0.00 O ATOM 955 CB ASN A 62 -2.711 -13.024 -6.868 1.00 0.00 C ATOM 956 CG ASN A 62 -2.883 -14.521 -7.136 1.00 0.00 C ATOM 957 OD1 ASN A 62 -2.011 -15.308 -6.826 1.00 0.00 O ATOM 958 ND2 ASN A 62 -3.977 -14.950 -7.705 1.00 0.00 N ATOM 0 H ASN A 62 -1.183 -10.856 -5.620 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.627 -13.611 -6.583 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.270 -12.736 -5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.115 -12.446 -7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.099 -15.946 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.709 -14.289 -7.965 1.00 0.00 H new ATOM 965 N LEU A 63 -0.010 -10.872 -7.674 1.00 0.00 N ATOM 966 CA LEU A 63 0.544 -10.102 -8.818 1.00 0.00 C ATOM 967 C LEU A 63 2.053 -10.307 -8.860 1.00 0.00 C ATOM 968 O LEU A 63 2.714 -10.312 -7.841 1.00 0.00 O ATOM 969 CB LEU A 63 0.192 -8.640 -8.543 1.00 0.00 C ATOM 970 CG LEU A 63 -0.210 -7.958 -9.853 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.490 -8.599 -10.394 1.00 0.00 C ATOM 972 CD2 LEU A 63 -0.458 -6.471 -9.598 1.00 0.00 C ATOM 0 H LEU A 63 0.197 -10.490 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 63 0.140 -10.419 -9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.625 -8.580 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.045 -8.126 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 63 0.592 -8.076 -10.582 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.775 -8.112 -11.327 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.317 -9.660 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.292 -8.483 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.744 -5.985 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.259 -6.356 -8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.452 -6.011 -9.214 1.00 0.00 H new ATOM 984 N ASP A 64 2.600 -10.505 -10.026 1.00 0.00 N ATOM 985 CA ASP A 64 4.069 -10.741 -10.138 1.00 0.00 C ATOM 986 C ASP A 64 4.419 -12.148 -9.624 1.00 0.00 C ATOM 987 O ASP A 64 5.551 -12.580 -9.713 1.00 0.00 O ATOM 988 CB ASP A 64 4.726 -9.662 -9.272 1.00 0.00 C ATOM 989 CG ASP A 64 6.131 -9.365 -9.800 1.00 0.00 C ATOM 990 OD1 ASP A 64 6.233 -8.839 -10.897 1.00 0.00 O ATOM 991 OD2 ASP A 64 7.082 -9.672 -9.100 1.00 0.00 O ATOM 0 H ASP A 64 2.092 -10.514 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 64 4.416 -10.686 -11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.123 -8.754 -9.284 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.779 -9.996 -8.236 1.00 0.00 H new ATOM 996 N GLY A 65 3.459 -12.878 -9.101 1.00 0.00 N ATOM 997 CA GLY A 65 3.764 -14.255 -8.610 1.00 0.00 C ATOM 998 C GLY A 65 3.429 -14.381 -7.125 1.00 0.00 C ATOM 999 O GLY A 65 4.025 -15.161 -6.410 1.00 0.00 O ATOM 0 H GLY A 65 2.489 -12.581 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.192 -14.986 -9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.818 -14.479 -8.771 1.00 0.00 H new ATOM 1003 N GLU A 66 2.478 -13.630 -6.655 1.00 0.00 N ATOM 1004 CA GLU A 66 2.104 -13.719 -5.222 1.00 0.00 C ATOM 1005 C GLU A 66 3.320 -13.476 -4.318 1.00 0.00 C ATOM 1006 O GLU A 66 3.511 -14.182 -3.347 1.00 0.00 O ATOM 1007 CB GLU A 66 1.583 -15.147 -5.048 1.00 0.00 C ATOM 1008 CG GLU A 66 1.070 -15.342 -3.621 1.00 0.00 C ATOM 1009 CD GLU A 66 1.920 -16.401 -2.917 1.00 0.00 C ATOM 1010 OE1 GLU A 66 2.325 -17.342 -3.579 1.00 0.00 O ATOM 1011 OE2 GLU A 66 2.151 -16.254 -1.728 1.00 0.00 O ATOM 0 H GLU A 66 1.942 -12.957 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 66 1.364 -12.968 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.782 -15.341 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.378 -15.862 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.116 -14.400 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.025 -15.650 -3.637 1.00 0.00 H new ATOM 1018 N PRO A 67 4.097 -12.473 -4.648 1.00 0.00 N ATOM 1019 CA PRO A 67 5.290 -12.135 -3.829 1.00 0.00 C ATOM 1020 C PRO A 67 4.878 -11.347 -2.576 1.00 0.00 C ATOM 1021 O PRO A 67 5.589 -10.467 -2.130 1.00 0.00 O ATOM 1022 CB PRO A 67 6.113 -11.243 -4.751 1.00 0.00 C ATOM 1023 CG PRO A 67 5.123 -10.629 -5.688 1.00 0.00 C ATOM 1024 CD PRO A 67 3.953 -11.576 -5.802 1.00 0.00 C ATOM 0 HA PRO A 67 5.828 -13.018 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.647 -10.479 -4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.862 -11.821 -5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.795 -9.658 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.575 -10.460 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.004 -11.041 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.979 -12.129 -6.741 1.00 0.00 H new ATOM 1032 N SER A 68 3.733 -11.635 -2.015 1.00 0.00 N ATOM 1033 CA SER A 68 3.282 -10.881 -0.809 1.00 0.00 C ATOM 1034 C SER A 68 3.841 -11.502 0.471 1.00 0.00 C ATOM 1035 O SER A 68 3.357 -11.246 1.557 1.00 0.00 O ATOM 1036 CB SER A 68 1.764 -10.987 -0.833 1.00 0.00 C ATOM 1037 OG SER A 68 1.373 -12.249 -0.308 1.00 0.00 O ATOM 0 H SER A 68 3.092 -12.359 -2.339 1.00 0.00 H new ATOM 0 HA SER A 68 3.629 -9.848 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.322 -10.183 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.396 -10.875 -1.853 1.00 0.00 H new ATOM 0 HG SER A 68 0.749 -12.115 0.435 1.00 0.00 H new ATOM 1043 N TYR A 69 4.861 -12.305 0.349 1.00 0.00 N ATOM 1044 CA TYR A 69 5.479 -12.950 1.546 1.00 0.00 C ATOM 1045 C TYR A 69 4.409 -13.608 2.426 1.00 0.00 C ATOM 1046 O TYR A 69 3.217 -13.391 2.260 1.00 0.00 O ATOM 1047 CB TYR A 69 6.220 -11.847 2.338 1.00 0.00 C ATOM 1048 CG TYR A 69 6.136 -10.499 1.645 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.002 -10.200 0.588 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.190 -9.552 2.061 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.922 -8.958 -0.052 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.110 -8.312 1.423 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.975 -8.013 0.366 1.00 0.00 C ATOM 1054 OH TYR A 69 5.897 -6.788 -0.265 1.00 0.00 O ATOM 0 H TYR A 69 5.300 -12.546 -0.540 1.00 0.00 H new ATOM 0 HA TYR A 69 6.171 -13.733 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.793 -11.769 3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.266 -12.128 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.732 -10.928 0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.521 -9.782 2.877 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.590 -8.728 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.380 -7.584 1.746 1.00 0.00 H new ATOM 0 HH TYR A 69 5.695 -6.921 -1.215 1.00 0.00 H new ATOM 1064 N PRO A 70 4.884 -14.397 3.349 1.00 0.00 N ATOM 1065 CA PRO A 70 3.981 -15.106 4.280 1.00 0.00 C ATOM 1066 C PRO A 70 3.291 -14.102 5.198 1.00 0.00 C ATOM 1067 O PRO A 70 2.423 -14.455 5.972 1.00 0.00 O ATOM 1068 CB PRO A 70 4.918 -16.025 5.063 1.00 0.00 C ATOM 1069 CG PRO A 70 6.257 -15.372 4.961 1.00 0.00 C ATOM 1070 CD PRO A 70 6.296 -14.695 3.617 1.00 0.00 C ATOM 0 HA PRO A 70 3.185 -15.659 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.602 -16.122 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.933 -17.029 4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.399 -14.649 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.056 -16.108 5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.901 -13.789 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.723 -15.344 2.852 1.00 0.00 H new ATOM 1078 N VAL A 71 3.653 -12.848 5.118 1.00 0.00 N ATOM 1079 CA VAL A 71 2.980 -11.860 5.995 1.00 0.00 C ATOM 1080 C VAL A 71 1.786 -11.235 5.271 1.00 0.00 C ATOM 1081 O VAL A 71 0.675 -11.473 5.663 1.00 0.00 O ATOM 1082 CB VAL A 71 4.033 -10.825 6.422 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.090 -11.510 7.289 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.715 -10.197 5.207 1.00 0.00 C ATOM 0 H VAL A 71 4.370 -12.476 4.496 1.00 0.00 H new ATOM 0 HA VAL A 71 2.573 -12.332 6.889 1.00 0.00 H new ATOM 0 HB VAL A 71 3.531 -10.037 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.839 -10.780 7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.616 -11.935 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.570 -12.305 6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.455 -9.469 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.209 -10.975 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.969 -9.699 4.588 1.00 0.00 H new ATOM 1094 N ALA A 72 1.975 -10.483 4.206 1.00 0.00 N ATOM 1095 CA ALA A 72 0.790 -9.923 3.474 1.00 0.00 C ATOM 1096 C ALA A 72 -0.327 -10.952 3.511 1.00 0.00 C ATOM 1097 O ALA A 72 -1.494 -10.644 3.651 1.00 0.00 O ATOM 1098 CB ALA A 72 1.285 -9.774 2.055 1.00 0.00 C ATOM 0 H ALA A 72 2.885 -10.236 3.818 1.00 0.00 H new ATOM 0 HA ALA A 72 0.415 -8.989 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.488 -9.368 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.139 -9.097 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.586 -10.749 1.670 1.00 0.00 H new ATOM 1104 N ASP A 73 0.063 -12.189 3.424 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.912 -13.297 3.492 1.00 0.00 C ATOM 1106 C ASP A 73 -1.509 -13.354 4.893 1.00 0.00 C ATOM 1107 O ASP A 73 -2.708 -13.295 5.094 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.055 -14.526 3.270 1.00 0.00 C ATOM 1109 CG ASP A 73 0.179 -14.733 1.773 1.00 0.00 C ATOM 1110 OD1 ASP A 73 0.083 -13.763 1.040 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.449 -15.858 1.386 1.00 0.00 O ATOM 0 H ASP A 73 1.034 -12.480 3.307 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.731 -13.200 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.899 -14.412 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.544 -15.403 3.695 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.650 -13.469 5.862 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.107 -13.535 7.274 1.00 0.00 C ATOM 1118 C ILE A 74 -1.687 -12.185 7.685 1.00 0.00 C ATOM 1119 O ILE A 74 -2.695 -12.107 8.358 1.00 0.00 O ATOM 1120 CB ILE A 74 0.147 -13.862 8.085 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.562 -15.312 7.817 1.00 0.00 C ATOM 1122 CG2 ILE A 74 -0.146 -13.687 9.576 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.835 -15.634 8.602 1.00 0.00 C ATOM 0 H ILE A 74 0.361 -13.521 5.735 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.886 -14.281 7.431 1.00 0.00 H new ATOM 0 HB ILE A 74 0.953 -13.189 7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.239 -15.990 8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.732 -15.461 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.749 -13.921 10.153 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.444 -12.657 9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.952 -14.359 9.870 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.129 -16.666 8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.635 -14.964 8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.649 -15.502 9.668 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.070 -11.117 7.262 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.599 -9.778 7.602 1.00 0.00 C ATOM 1137 C LEU A 75 -3.092 -9.766 7.288 1.00 0.00 C ATOM 1138 O LEU A 75 -3.884 -9.152 7.976 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.821 -8.815 6.704 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.395 -7.594 7.519 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.736 -7.986 8.474 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.096 -6.498 6.571 1.00 0.00 C ATOM 0 H LEU A 75 -0.222 -11.119 6.695 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.484 -9.504 8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.055 -9.314 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.439 -8.506 5.861 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.244 -7.226 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.040 -7.115 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.388 -8.769 9.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.586 -8.353 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.400 -5.626 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.946 -6.867 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.708 -6.219 5.890 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.480 -10.472 6.261 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.909 -10.545 5.902 1.00 0.00 C ATOM 1156 C ALA A 76 -5.670 -11.271 7.011 1.00 0.00 C ATOM 1157 O ALA A 76 -6.652 -10.781 7.531 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.946 -11.342 4.602 1.00 0.00 C ATOM 0 H ALA A 76 -2.855 -11.004 5.655 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.371 -9.565 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.978 -11.442 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.365 -10.822 3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.521 -12.332 4.770 1.00 0.00 H new ATOM 1164 N GLU A 77 -5.213 -12.437 7.385 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.902 -13.193 8.473 1.00 0.00 C ATOM 1166 C GLU A 77 -6.097 -12.280 9.695 1.00 0.00 C ATOM 1167 O GLU A 77 -6.981 -12.485 10.503 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.965 -14.384 8.776 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.350 -14.273 10.180 1.00 0.00 C ATOM 1170 CD GLU A 77 -5.363 -14.755 11.221 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -5.841 -15.868 11.081 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -5.643 -14.002 12.139 1.00 0.00 O ATOM 0 H GLU A 77 -4.395 -12.898 6.986 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.897 -13.541 8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.523 -15.317 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.170 -14.422 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.440 -14.871 10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.067 -13.240 10.384 1.00 0.00 H new ATOM 1179 N ARG A 78 -5.272 -11.275 9.829 1.00 0.00 N ATOM 1180 CA ARG A 78 -5.389 -10.343 10.983 1.00 0.00 C ATOM 1181 C ARG A 78 -5.230 -8.899 10.502 1.00 0.00 C ATOM 1182 O ARG A 78 -4.431 -8.145 11.018 1.00 0.00 O ATOM 1183 CB ARG A 78 -4.235 -10.716 11.913 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.925 -10.674 11.127 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.792 -10.209 12.044 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.797 -11.319 12.025 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.057 -11.445 13.004 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.627 -10.387 13.511 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.347 -12.630 13.472 1.00 0.00 N ATOM 0 H ARG A 78 -4.515 -11.060 9.180 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.356 -10.419 11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.191 -10.024 12.754 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.393 -11.712 12.327 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.699 -11.661 10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.020 -9.998 10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.352 -9.279 11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.154 -10.022 13.055 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.784 -11.979 11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.405 -9.462 13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.294 -10.485 14.276 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.094 -13.458 13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.015 -12.727 14.237 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.970 -8.521 9.501 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.854 -7.137 8.958 1.00 0.00 C ATOM 1205 C ASN A 79 -6.164 -6.077 10.027 1.00 0.00 C ATOM 1206 O ASN A 79 -7.149 -6.153 10.734 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.871 -7.089 7.820 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.201 -7.590 6.539 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.013 -7.412 6.356 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.908 -8.211 5.636 1.00 0.00 N ATOM 0 H ASN A 79 -6.655 -9.113 9.031 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.841 -6.915 8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.736 -7.707 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.235 -6.071 7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.463 -8.545 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.906 -8.363 5.785 1.00 0.00 H new ATOM 1217 N VAL A 80 -5.311 -5.091 10.141 1.00 0.00 N ATOM 1218 CA VAL A 80 -5.513 -4.001 11.153 1.00 0.00 C ATOM 1219 C VAL A 80 -5.569 -2.639 10.405 1.00 0.00 C ATOM 1220 O VAL A 80 -5.926 -2.628 9.243 1.00 0.00 O ATOM 1221 CB VAL A 80 -4.302 -4.124 12.104 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -4.757 -3.858 13.542 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -3.707 -5.541 12.046 1.00 0.00 C ATOM 0 H VAL A 80 -4.472 -4.991 9.570 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.441 -4.075 11.720 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.549 -3.399 11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.904 -3.944 14.215 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.174 -2.853 13.612 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.517 -4.587 13.824 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.855 -5.606 12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.464 -6.266 12.345 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.379 -5.757 11.029 1.00 0.00 H new ATOM 1233 N PRO A 81 -5.234 -1.521 11.045 1.00 0.00 N ATOM 1234 CA PRO A 81 -5.298 -0.222 10.318 1.00 0.00 C ATOM 1235 C PRO A 81 -4.178 -0.171 9.280 1.00 0.00 C ATOM 1236 O PRO A 81 -3.047 -0.493 9.572 1.00 0.00 O ATOM 1237 CB PRO A 81 -5.122 0.829 11.406 1.00 0.00 C ATOM 1238 CG PRO A 81 -4.400 0.128 12.504 1.00 0.00 C ATOM 1239 CD PRO A 81 -4.774 -1.334 12.430 1.00 0.00 C ATOM 0 HA PRO A 81 -6.229 -0.067 9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.552 1.684 11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.085 1.210 11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.323 0.254 12.397 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.675 0.546 13.472 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.922 -1.975 12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.558 -1.581 13.146 1.00 0.00 H new ATOM 1247 N PHE A 82 -4.516 0.194 8.068 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.536 0.228 6.939 1.00 0.00 C ATOM 1249 C PHE A 82 -4.308 0.215 5.613 1.00 0.00 C ATOM 1250 O PHE A 82 -5.326 0.860 5.462 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.746 -1.080 7.047 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.666 -2.276 6.834 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -5.072 -2.138 6.837 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -3.101 -3.541 6.638 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.888 -3.254 6.645 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.926 -4.658 6.449 1.00 0.00 C ATOM 1257 CZ PHE A 82 -5.316 -4.512 6.454 1.00 0.00 C ATOM 0 H PHE A 82 -5.460 0.478 7.808 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.896 1.109 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.947 -1.092 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.273 -1.147 8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.517 -1.166 6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.027 -3.657 6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.962 -3.144 6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.487 -5.633 6.299 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.949 -5.375 6.310 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.849 -0.569 4.675 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.550 -0.707 3.380 1.00 0.00 C ATOM 1269 C ILE A 83 -3.892 -1.843 2.608 1.00 0.00 C ATOM 1270 O ILE A 83 -2.714 -2.071 2.748 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.385 0.636 2.684 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.727 1.373 2.689 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.917 0.442 1.232 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.487 2.883 2.656 1.00 0.00 C ATOM 0 H ILE A 83 -3.000 -1.128 4.760 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.609 -0.947 3.473 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.634 1.218 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.322 1.071 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.296 1.105 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.805 1.415 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.959 -0.078 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.654 -0.148 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.445 3.404 2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.910 3.179 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.935 3.144 1.753 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.629 -2.553 1.806 1.00 0.00 N ATOM 1287 CA PHE A 84 -4.010 -3.672 1.047 1.00 0.00 C ATOM 1288 C PHE A 84 -4.815 -4.012 -0.209 1.00 0.00 C ATOM 1289 O PHE A 84 -5.972 -3.640 -0.376 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.040 -4.848 2.020 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.184 -5.993 1.501 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.674 -6.830 0.488 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.902 -6.223 2.031 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.892 -7.885 0.004 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.124 -7.283 1.544 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.620 -8.112 0.531 1.00 0.00 C ATOM 0 H PHE A 84 -5.626 -2.410 1.643 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.006 -3.421 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.676 -4.528 2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.067 -5.187 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.659 -6.660 0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.517 -5.584 2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.274 -8.524 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.140 -7.460 1.951 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.018 -8.927 0.157 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.216 -4.745 -1.088 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.937 -5.147 -2.307 1.00 0.00 C ATOM 1308 C ALA A 85 -4.435 -6.520 -2.751 1.00 0.00 C ATOM 1309 O ALA A 85 -3.282 -6.856 -2.568 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.619 -4.086 -3.358 1.00 0.00 C ATOM 0 H ALA A 85 -3.257 -5.083 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.013 -5.220 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.129 -4.332 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.957 -3.112 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.543 -4.056 -3.531 1.00 0.00 H new ATOM 1316 N THR A 86 -5.284 -7.321 -3.316 1.00 0.00 N ATOM 1317 CA THR A 86 -4.837 -8.673 -3.750 1.00 0.00 C ATOM 1318 C THR A 86 -5.694 -9.164 -4.911 1.00 0.00 C ATOM 1319 O THR A 86 -6.795 -8.696 -5.110 1.00 0.00 O ATOM 1320 CB THR A 86 -5.033 -9.586 -2.534 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.354 -10.895 -2.983 1.00 0.00 O ATOM 1322 CG2 THR A 86 -6.166 -9.064 -1.640 1.00 0.00 C ATOM 0 H THR A 86 -6.264 -7.104 -3.497 1.00 0.00 H new ATOM 0 HA THR A 86 -3.801 -8.663 -4.088 1.00 0.00 H new ATOM 0 HB THR A 86 -4.111 -9.602 -1.953 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.922 -11.339 -2.319 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.288 -9.727 -0.783 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.921 -8.061 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.095 -9.033 -2.210 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.209 -10.113 -5.667 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.018 -10.642 -6.801 1.00 0.00 C ATOM 1332 C GLY A 87 -7.258 -11.332 -6.226 1.00 0.00 C ATOM 1333 O GLY A 87 -7.444 -12.526 -6.359 1.00 0.00 O ATOM 0 H GLY A 87 -4.291 -10.543 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.310 -9.832 -7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.431 -11.346 -7.391 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.092 -10.578 -5.567 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.317 -11.144 -4.944 1.00 0.00 C ATOM 1339 C TYR A 88 -10.269 -9.996 -4.586 1.00 0.00 C ATOM 1340 O TYR A 88 -11.464 -10.085 -4.781 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.805 -11.857 -3.683 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.934 -12.105 -2.701 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.557 -11.029 -2.055 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.343 -13.413 -2.419 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.587 -11.255 -1.140 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.373 -13.641 -1.497 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.997 -12.563 -0.858 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.013 -12.792 0.050 1.00 0.00 O ATOM 0 H TYR A 88 -7.972 -9.574 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.866 -11.825 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.344 -12.805 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.032 -11.253 -3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.239 -10.019 -2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.865 -14.247 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.067 -10.421 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.686 -14.651 -1.279 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.172 -13.756 0.127 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.745 -8.913 -4.058 1.00 0.00 N ATOM 1359 CA GLY A 89 -10.627 -7.765 -3.689 1.00 0.00 C ATOM 1360 C GLY A 89 -10.733 -7.653 -2.162 1.00 0.00 C ATOM 1361 O GLY A 89 -11.705 -7.151 -1.633 1.00 0.00 O ATOM 0 H GLY A 89 -8.752 -8.778 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.225 -6.840 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.618 -7.904 -4.121 1.00 0.00 H new ATOM 1365 N SER A 90 -9.735 -8.109 -1.456 1.00 0.00 N ATOM 1366 CA SER A 90 -9.756 -8.032 0.036 1.00 0.00 C ATOM 1367 C SER A 90 -11.045 -8.635 0.617 1.00 0.00 C ATOM 1368 O SER A 90 -12.093 -8.021 0.594 1.00 0.00 O ATOM 1369 CB SER A 90 -9.672 -6.539 0.350 1.00 0.00 C ATOM 1370 OG SER A 90 -8.497 -6.284 1.108 1.00 0.00 O ATOM 0 H SER A 90 -8.897 -8.536 -1.851 1.00 0.00 H new ATOM 0 HA SER A 90 -8.937 -8.600 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.655 -5.962 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.554 -6.223 0.907 1.00 0.00 H new ATOM 0 HG SER A 90 -7.796 -5.935 0.518 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.968 -9.838 1.140 1.00 0.00 N ATOM 1377 CA LYS A 91 -12.197 -10.485 1.730 1.00 0.00 C ATOM 1378 C LYS A 91 -13.005 -9.444 2.515 1.00 0.00 C ATOM 1379 O LYS A 91 -13.977 -8.901 2.028 1.00 0.00 O ATOM 1380 CB LYS A 91 -11.760 -11.625 2.690 1.00 0.00 C ATOM 1381 CG LYS A 91 -10.251 -11.903 2.643 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.487 -10.747 3.297 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.998 -11.172 4.684 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.736 -10.299 5.638 1.00 0.00 N ATOM 0 H LYS A 91 -10.118 -10.399 1.186 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.814 -10.890 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.044 -11.363 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.300 -12.536 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.028 -12.836 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.927 -12.026 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.640 -10.460 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.132 -9.873 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.207 -12.225 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.920 -11.039 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.392 -10.472 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.579 -9.302 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.753 -10.513 5.589 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.607 -9.161 3.726 1.00 0.00 N ATOM 1399 CA GLY A 92 -13.343 -8.158 4.543 1.00 0.00 C ATOM 1400 C GLY A 92 -12.352 -7.453 5.466 1.00 0.00 C ATOM 1401 O GLY A 92 -12.711 -6.965 6.520 1.00 0.00 O ATOM 0 H GLY A 92 -11.800 -9.584 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.837 -7.433 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.122 -8.646 5.128 1.00 0.00 H new ATOM 1405 N LEU A 93 -11.105 -7.405 5.069 1.00 0.00 N ATOM 1406 CA LEU A 93 -10.064 -6.738 5.905 1.00 0.00 C ATOM 1407 C LEU A 93 -10.640 -5.521 6.637 1.00 0.00 C ATOM 1408 O LEU A 93 -11.394 -4.741 6.092 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.929 -6.348 4.933 1.00 0.00 C ATOM 1410 CG LEU A 93 -9.346 -5.256 3.919 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -10.763 -5.491 3.385 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.263 -3.875 4.573 1.00 0.00 C ATOM 0 H LEU A 93 -10.762 -7.803 4.194 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.692 -7.398 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.073 -5.994 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.604 -7.235 4.389 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.656 -5.306 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.020 -4.704 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.808 -6.459 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.471 -5.478 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.558 -3.113 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.931 -3.839 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.240 -3.688 4.900 1.00 0.00 H new ATOM 1424 N ASP A 94 -10.300 -5.370 7.885 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.829 -4.223 8.671 1.00 0.00 C ATOM 1426 C ASP A 94 -9.711 -3.220 8.917 1.00 0.00 C ATOM 1427 O ASP A 94 -8.546 -3.564 8.917 1.00 0.00 O ATOM 1428 CB ASP A 94 -11.329 -4.828 9.985 1.00 0.00 C ATOM 1429 CG ASP A 94 -10.138 -5.290 10.825 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.597 -4.471 11.549 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.788 -6.454 10.728 1.00 0.00 O ATOM 0 H ASP A 94 -9.676 -5.994 8.396 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.629 -3.691 8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.912 -4.091 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.991 -5.670 9.781 1.00 0.00 H new ATOM 1436 N THR A 95 -10.048 -1.980 9.100 1.00 0.00 N ATOM 1437 CA THR A 95 -8.989 -0.963 9.315 1.00 0.00 C ATOM 1438 C THR A 95 -9.617 0.387 9.646 1.00 0.00 C ATOM 1439 O THR A 95 -10.703 0.704 9.202 1.00 0.00 O ATOM 1440 CB THR A 95 -8.270 -0.908 7.964 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.351 0.170 7.933 1.00 0.00 O ATOM 1442 CG2 THR A 95 -9.301 -0.730 6.850 1.00 0.00 C ATOM 0 H THR A 95 -11.005 -1.627 9.110 1.00 0.00 H new ATOM 0 HA THR A 95 -8.320 -1.203 10.141 1.00 0.00 H new ATOM 0 HB THR A 95 -7.722 -1.839 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.994 0.269 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.793 -0.690 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.996 -1.570 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.851 0.198 7.008 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.931 1.201 10.399 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.483 2.545 10.723 1.00 0.00 C ATOM 1452 C ARG A 96 -9.662 3.336 9.424 1.00 0.00 C ATOM 1453 O ARG A 96 -10.246 4.402 9.404 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.421 3.207 11.603 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.668 2.853 13.077 1.00 0.00 C ATOM 1456 CD ARG A 96 -9.037 1.371 13.210 1.00 0.00 C ATOM 1457 NE ARG A 96 -9.403 1.194 14.645 1.00 0.00 N ATOM 1458 CZ ARG A 96 -10.649 1.000 14.987 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -11.569 1.843 14.606 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -10.975 -0.035 15.712 1.00 0.00 N ATOM 0 H ARG A 96 -8.017 0.995 10.802 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.450 2.498 11.224 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.428 2.874 11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.449 4.289 11.470 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.775 3.067 13.665 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.470 3.473 13.478 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.869 1.111 12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.200 0.729 12.934 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.678 1.225 15.362 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.316 2.654 14.041 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.542 1.691 14.873 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.257 -0.694 16.012 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.948 -0.185 15.978 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.146 2.816 8.340 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.254 3.514 7.034 1.00 0.00 C ATOM 1476 C TYR A 97 -10.691 3.439 6.495 1.00 0.00 C ATOM 1477 O TYR A 97 -11.002 3.979 5.451 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.249 2.762 6.157 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.861 3.215 6.556 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.303 2.783 7.768 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.141 4.085 5.730 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.030 3.219 8.152 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.866 4.518 6.114 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.311 4.087 7.324 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.055 4.521 7.699 1.00 0.00 O ATOM 0 H TYR A 97 -8.649 1.926 8.309 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.036 4.581 7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.354 1.686 6.292 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.431 2.970 5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.858 2.112 8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.568 4.422 4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.603 2.886 9.086 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.309 5.187 5.474 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.460 3.749 7.805 1.00 0.00 H new ATOM 1495 N SER A 98 -11.574 2.797 7.217 1.00 0.00 N ATOM 1496 CA SER A 98 -12.995 2.707 6.773 1.00 0.00 C ATOM 1497 C SER A 98 -13.105 1.995 5.429 1.00 0.00 C ATOM 1498 O SER A 98 -13.960 2.310 4.628 1.00 0.00 O ATOM 1499 CB SER A 98 -13.465 4.157 6.646 1.00 0.00 C ATOM 1500 OG SER A 98 -14.479 4.406 7.611 1.00 0.00 O ATOM 0 H SER A 98 -11.369 2.329 8.100 1.00 0.00 H new ATOM 0 HA SER A 98 -13.600 2.136 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.627 4.838 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.848 4.341 5.642 1.00 0.00 H new ATOM 0 HG SER A 98 -14.782 5.335 7.535 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.265 1.028 5.178 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.353 0.297 3.883 1.00 0.00 C ATOM 1508 C ASN A 99 -12.593 1.273 2.720 1.00 0.00 C ATOM 1509 O ASN A 99 -13.711 1.662 2.441 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.551 -0.631 4.067 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.081 -1.977 4.622 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.440 -2.354 5.722 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.287 -2.723 3.906 1.00 0.00 N ATOM 0 H ASN A 99 -11.527 0.715 5.809 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.437 -0.241 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.273 -0.178 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.059 -0.777 3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.967 -3.621 4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.985 -2.408 2.984 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.553 1.650 2.023 1.00 0.00 N ATOM 1521 CA ILE A 100 -11.728 2.583 0.864 1.00 0.00 C ATOM 1522 C ILE A 100 -10.986 2.001 -0.379 1.00 0.00 C ATOM 1523 O ILE A 100 -11.489 1.035 -0.916 1.00 0.00 O ATOM 1524 CB ILE A 100 -11.279 3.992 1.340 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -10.692 3.956 2.766 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -12.510 4.899 1.366 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -9.418 3.109 2.808 1.00 0.00 C ATOM 0 H ILE A 100 -10.593 1.355 2.203 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.761 2.687 0.532 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.511 4.355 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.471 4.970 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.429 3.547 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.220 5.896 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.938 4.960 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.250 4.489 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.022 3.098 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.648 2.090 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.675 3.535 2.133 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.842 2.515 -0.843 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.214 1.861 -2.029 1.00 0.00 C ATOM 1541 C PRO A 101 -8.742 0.452 -1.699 1.00 0.00 C ATOM 1542 O PRO A 101 -7.562 0.163 -1.731 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.026 2.737 -2.352 1.00 0.00 C ATOM 1544 CG PRO A 101 -7.704 3.421 -1.072 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.023 3.667 -0.403 1.00 0.00 C ATOM 0 HA PRO A 101 -9.916 1.765 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.183 2.145 -2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.265 3.456 -3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.058 2.803 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.174 4.357 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.925 3.701 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.462 4.615 -0.713 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.641 -0.434 -1.396 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.213 -1.818 -1.083 1.00 0.00 C ATOM 1555 C LEU A 102 -9.581 -2.739 -2.241 1.00 0.00 C ATOM 1556 O LEU A 102 -10.732 -2.838 -2.616 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.976 -2.207 0.184 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.089 -1.989 1.406 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -7.805 -2.798 1.245 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.745 -0.502 1.530 1.00 0.00 C ATOM 0 H LEU A 102 -10.645 -0.262 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.136 -1.897 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.884 -1.610 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.285 -3.251 0.128 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.616 -2.313 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.167 -2.646 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.051 -3.856 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.279 -2.471 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.111 -0.347 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.216 -0.175 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.663 0.076 1.640 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.617 -3.410 -2.814 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.933 -4.320 -3.964 1.00 0.00 C ATOM 1574 C LEU A 103 -7.638 -4.811 -4.638 1.00 0.00 C ATOM 1575 O LEU A 103 -6.820 -5.454 -4.014 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.786 -3.476 -4.933 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.210 -2.058 -5.057 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.809 -1.794 -6.509 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.270 -1.032 -4.640 1.00 0.00 C ATOM 0 H LEU A 103 -7.634 -3.372 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.467 -5.215 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.812 -3.952 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.814 -3.428 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.337 -1.970 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.400 -0.787 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.056 -2.519 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.685 -1.887 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.858 -0.027 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.142 -1.126 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.565 -1.213 -3.606 1.00 0.00 H new ATOM 1591 N THR A 104 -7.438 -4.521 -5.902 1.00 0.00 N ATOM 1592 CA THR A 104 -6.196 -4.982 -6.582 1.00 0.00 C ATOM 1593 C THR A 104 -6.071 -4.353 -7.967 1.00 0.00 C ATOM 1594 O THR A 104 -5.795 -3.176 -8.095 1.00 0.00 O ATOM 1595 CB THR A 104 -6.312 -6.505 -6.667 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.418 -6.989 -7.661 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.743 -6.913 -7.029 1.00 0.00 C ATOM 0 H THR A 104 -8.081 -3.987 -6.486 1.00 0.00 H new ATOM 0 HA THR A 104 -5.301 -4.686 -6.035 1.00 0.00 H new ATOM 0 HB THR A 104 -6.059 -6.933 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.238 -7.939 -7.504 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.808 -8.000 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.430 -6.547 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.011 -6.483 -7.994 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.249 -5.116 -9.002 1.00 0.00 N ATOM 1606 CA LYS A 105 -6.116 -4.548 -10.363 1.00 0.00 C ATOM 1607 C LYS A 105 -4.706 -3.985 -10.556 1.00 0.00 C ATOM 1608 O LYS A 105 -4.058 -3.591 -9.606 1.00 0.00 O ATOM 1609 CB LYS A 105 -7.168 -3.441 -10.446 1.00 0.00 C ATOM 1610 CG LYS A 105 -8.446 -4.002 -11.069 1.00 0.00 C ATOM 1611 CD LYS A 105 -9.304 -4.643 -9.977 1.00 0.00 C ATOM 1612 CE LYS A 105 -10.137 -5.778 -10.577 1.00 0.00 C ATOM 1613 NZ LYS A 105 -11.079 -6.179 -9.494 1.00 0.00 N ATOM 0 H LYS A 105 -6.481 -6.109 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.267 -5.295 -11.142 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.377 -3.048 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.792 -2.611 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.002 -3.206 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.198 -4.740 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.668 -5.028 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.959 -3.895 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.675 -5.446 -11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.506 -6.613 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.685 -6.954 -9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.539 -6.497 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.672 -5.366 -9.231 1.00 0.00 H new ATOM 1627 N PRO A 106 -4.274 -3.980 -11.786 1.00 0.00 N ATOM 1628 CA PRO A 106 -2.919 -3.476 -12.115 1.00 0.00 C ATOM 1629 C PRO A 106 -2.867 -1.955 -11.967 1.00 0.00 C ATOM 1630 O PRO A 106 -2.601 -1.435 -10.902 1.00 0.00 O ATOM 1631 CB PRO A 106 -2.725 -3.898 -13.570 1.00 0.00 C ATOM 1632 CG PRO A 106 -4.108 -4.030 -14.122 1.00 0.00 C ATOM 1633 CD PRO A 106 -5.001 -4.431 -12.977 1.00 0.00 C ATOM 0 HA PRO A 106 -2.141 -3.867 -11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -2.149 -3.156 -14.123 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.181 -4.840 -13.639 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.440 -3.089 -14.559 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -4.137 -4.778 -14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.980 -3.958 -13.050 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.168 -5.508 -12.959 1.00 0.00 H new ATOM 1641 N PHE A 107 -3.122 -1.234 -13.023 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.088 0.251 -12.929 1.00 0.00 C ATOM 1643 C PHE A 107 -4.474 0.815 -13.259 1.00 0.00 C ATOM 1644 O PHE A 107 -5.482 0.189 -12.997 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.043 0.681 -13.967 1.00 0.00 C ATOM 1646 CG PHE A 107 -1.467 2.048 -13.638 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.639 2.623 -12.366 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -0.747 2.742 -14.620 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.093 3.882 -12.087 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.202 4.000 -14.338 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.375 4.569 -13.072 1.00 0.00 C ATOM 0 H PHE A 107 -3.352 -1.608 -13.944 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.831 0.615 -11.934 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.240 -0.055 -14.004 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.499 0.705 -14.957 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.192 2.094 -11.604 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.612 2.304 -15.598 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.226 4.323 -11.110 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.352 4.531 -15.098 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.046 5.540 -12.855 1.00 0.00 H new ATOM 1661 N LEU A 108 -4.540 1.985 -13.830 1.00 0.00 N ATOM 1662 CA LEU A 108 -5.870 2.571 -14.169 1.00 0.00 C ATOM 1663 C LEU A 108 -6.846 2.395 -12.992 1.00 0.00 C ATOM 1664 O LEU A 108 -6.619 2.915 -11.922 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.340 1.796 -15.408 1.00 0.00 C ATOM 1666 CG LEU A 108 -5.490 2.169 -16.633 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -5.176 3.669 -16.626 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -4.183 1.373 -16.605 1.00 0.00 C ATOM 0 H LEU A 108 -3.735 2.560 -14.077 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.818 3.642 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.269 0.724 -15.222 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.389 2.017 -15.605 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.048 1.931 -17.538 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.573 3.919 -17.499 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.107 4.236 -16.653 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.624 3.921 -15.720 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.578 1.636 -17.473 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.633 1.609 -15.694 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.406 0.306 -16.628 1.00 0.00 H new ATOM 1680 N ASP A 109 -7.929 1.676 -13.188 1.00 0.00 N ATOM 1681 CA ASP A 109 -8.935 1.469 -12.094 1.00 0.00 C ATOM 1682 C ASP A 109 -8.282 1.397 -10.705 1.00 0.00 C ATOM 1683 O ASP A 109 -8.894 1.727 -9.709 1.00 0.00 O ATOM 1684 CB ASP A 109 -9.597 0.131 -12.431 1.00 0.00 C ATOM 1685 CG ASP A 109 -8.525 -0.883 -12.839 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -7.489 -0.912 -12.195 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -8.759 -1.611 -13.789 1.00 0.00 O ATOM 0 H ASP A 109 -8.161 1.219 -14.070 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.638 2.300 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.153 -0.239 -11.569 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.315 0.262 -13.241 1.00 0.00 H new ATOM 1692 N SER A 110 -7.064 0.949 -10.625 1.00 0.00 N ATOM 1693 CA SER A 110 -6.394 0.831 -9.295 1.00 0.00 C ATOM 1694 C SER A 110 -6.008 2.197 -8.712 1.00 0.00 C ATOM 1695 O SER A 110 -6.555 2.643 -7.723 1.00 0.00 O ATOM 1696 CB SER A 110 -5.132 0.036 -9.588 1.00 0.00 C ATOM 1697 OG SER A 110 -5.007 -1.023 -8.647 1.00 0.00 O ATOM 0 H SER A 110 -6.498 0.658 -11.422 1.00 0.00 H new ATOM 0 HA SER A 110 -7.054 0.366 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.170 -0.366 -10.600 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.259 0.687 -9.536 1.00 0.00 H new ATOM 0 HG SER A 110 -5.697 -1.697 -8.819 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.044 2.845 -9.306 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.577 4.164 -8.785 1.00 0.00 C ATOM 1705 C GLU A 111 -5.759 5.085 -8.479 1.00 0.00 C ATOM 1706 O GLU A 111 -5.846 5.681 -7.424 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.688 4.722 -9.915 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.379 5.868 -10.672 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.361 6.572 -11.574 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.607 7.384 -11.063 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -3.353 6.288 -12.760 1.00 0.00 O ATOM 0 H GLU A 111 -4.555 2.515 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.033 4.078 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.748 5.079 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.442 3.922 -10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.202 5.478 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.807 6.579 -9.965 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.649 5.220 -9.409 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.820 6.134 -9.186 1.00 0.00 C ATOM 1720 C LEU A 112 -8.411 5.898 -7.799 1.00 0.00 C ATOM 1721 O LEU A 112 -8.378 6.764 -6.949 1.00 0.00 O ATOM 1722 CB LEU A 112 -8.899 5.844 -10.249 1.00 0.00 C ATOM 1723 CG LEU A 112 -8.392 4.926 -11.355 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -9.566 4.546 -12.260 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -7.332 5.655 -12.188 1.00 0.00 C ATOM 0 H LEU A 112 -6.629 4.746 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.486 7.169 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.764 5.387 -9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.236 6.784 -10.686 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.952 4.032 -10.914 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.214 3.889 -13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.326 4.031 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.995 5.448 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.972 4.995 -12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.770 6.548 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.498 5.941 -11.546 1.00 0.00 H new ATOM 1737 N GLU A 113 -8.961 4.738 -7.558 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.549 4.486 -6.215 1.00 0.00 C ATOM 1739 C GLU A 113 -8.554 4.896 -5.149 1.00 0.00 C ATOM 1740 O GLU A 113 -8.806 5.770 -4.348 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.807 2.976 -6.129 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.192 2.678 -6.694 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.089 2.422 -8.198 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -10.472 3.229 -8.874 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -11.629 1.425 -8.648 1.00 0.00 O ATOM 0 H GLU A 113 -9.027 3.967 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.469 5.052 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.047 2.431 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.742 2.641 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.620 1.808 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.862 3.516 -6.503 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.421 4.266 -5.144 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.385 4.582 -4.124 1.00 0.00 C ATOM 1754 C ALA A 114 -6.351 6.071 -3.778 1.00 0.00 C ATOM 1755 O ALA A 114 -5.934 6.445 -2.700 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.062 4.138 -4.748 1.00 0.00 C ATOM 0 H ALA A 114 -7.162 3.537 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.592 4.071 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.246 4.339 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.101 3.070 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.894 4.688 -5.674 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.780 6.931 -4.655 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.745 8.374 -4.304 1.00 0.00 C ATOM 1764 C VAL A 115 -8.161 8.956 -4.211 1.00 0.00 C ATOM 1765 O VAL A 115 -8.368 9.999 -3.622 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.942 9.047 -5.421 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -5.591 10.474 -5.002 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.647 8.267 -5.676 1.00 0.00 C ATOM 0 H VAL A 115 -7.146 6.705 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.289 8.539 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.540 9.063 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.019 10.956 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.507 11.036 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.996 10.449 -4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.081 8.752 -6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.049 8.248 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.889 7.247 -5.973 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.139 8.300 -4.774 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.529 8.841 -4.694 1.00 0.00 C ATOM 1780 C LEU A 116 -11.253 8.244 -3.487 1.00 0.00 C ATOM 1781 O LEU A 116 -12.185 8.821 -2.962 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.209 8.420 -5.997 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.427 9.653 -6.873 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -12.281 9.277 -8.086 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.144 10.738 -6.065 1.00 0.00 C ATOM 0 H LEU A 116 -9.039 7.421 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.542 9.924 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.593 7.690 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.163 7.938 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.461 10.029 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -12.435 10.158 -8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.771 8.507 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -13.246 8.898 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.298 11.616 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.108 10.361 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.536 11.010 -5.202 1.00 0.00 H new