USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 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 Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -158:sc= -1.37 (180deg=-2.66!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -98:sc= 0.689 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -6.29! C(o=-6.3!,f=-5.4!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 19:sc= 0.735 USER MOD Single : A 42 MET CE :methyl 163:sc= -0.503 (180deg=-1.7!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.343 K(o=-0.34,f=-3!) USER MOD Single : A 68 SER OG : rot 122:sc= -5.17! USER MOD Single : A 69 TYR OH : rot -71:sc= -0.0765 USER MOD Single : A 79 ASN : amide:sc= -18.2! C(o=-18!,f=-20!) USER MOD Single : A 86 THR OG1 : rot 68:sc= -6.95! USER MOD Single : A 88 TYR OH : rot 113:sc= -1.87! USER MOD Single : A 90 SER OG : rot 162:sc= -1.09 USER MOD Single : A 91 LYS NZ :NH3+ -121:sc= -3.92! (180deg=-7.85!) USER MOD Single : A 95 THR OG1 : rot 86:sc= 0.842 USER MOD Single : A 97 TYR OH : rot 80:sc= 0.5 USER MOD Single : A 98 SER OG : rot 180:sc= -1.19! USER MOD Single : A 99 ASN : amide:sc= 0.0717 K(o=0.072,f=-0.77) USER MOD Single : A 104 THR OG1 : rot -32:sc= 0.25 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 67:sc= -1.38! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 5.991 14.280 4.333 1.00 0.00 N ATOM 109 CA ARG A 8 5.928 13.309 3.212 1.00 0.00 C ATOM 110 C ARG A 8 5.377 11.990 3.735 1.00 0.00 C ATOM 111 O ARG A 8 5.928 11.391 4.639 1.00 0.00 O ATOM 112 CB ARG A 8 7.370 13.152 2.728 1.00 0.00 C ATOM 113 CG ARG A 8 7.856 14.476 2.132 1.00 0.00 C ATOM 114 CD ARG A 8 7.819 14.391 0.604 1.00 0.00 C ATOM 115 NE ARG A 8 8.251 15.735 0.128 1.00 0.00 N ATOM 116 CZ ARG A 8 7.691 16.267 -0.924 1.00 0.00 C ATOM 117 NH1 ARG A 8 6.444 16.648 -0.876 1.00 0.00 N ATOM 118 NH2 ARG A 8 8.378 16.418 -2.024 1.00 0.00 N ATOM 0 HA ARG A 8 5.280 13.636 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.013 12.857 3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.430 12.361 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.226 15.296 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.870 14.689 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.485 13.610 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.818 14.150 0.247 1.00 0.00 H new ATOM 0 HE ARG A 8 8.985 16.240 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.907 16.530 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.006 17.064 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.353 16.120 -2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.940 16.834 -2.846 1.00 0.00 H new ATOM 132 N LEU A 9 4.292 11.532 3.186 1.00 0.00 N ATOM 133 CA LEU A 9 3.713 10.260 3.668 1.00 0.00 C ATOM 134 C LEU A 9 4.460 9.099 3.022 1.00 0.00 C ATOM 135 O LEU A 9 5.231 9.291 2.113 1.00 0.00 O ATOM 136 CB LEU A 9 2.250 10.288 3.227 1.00 0.00 C ATOM 137 CG LEU A 9 1.388 9.590 4.278 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.160 10.534 5.460 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.039 9.206 3.663 1.00 0.00 C ATOM 0 H LEU A 9 3.784 11.984 2.426 1.00 0.00 H new ATOM 0 HA LEU A 9 3.792 10.138 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.918 11.318 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.140 9.792 2.263 1.00 0.00 H new ATOM 0 HG LEU A 9 1.897 8.690 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.545 10.036 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.120 10.805 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.652 11.434 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.575 8.708 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.471 10.104 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.201 8.532 2.822 1.00 0.00 H new ATOM 151 N ARG A 10 4.257 7.899 3.470 1.00 0.00 N ATOM 152 CA ARG A 10 4.996 6.775 2.838 1.00 0.00 C ATOM 153 C ARG A 10 4.015 5.694 2.371 1.00 0.00 C ATOM 154 O ARG A 10 3.213 5.191 3.139 1.00 0.00 O ATOM 155 CB ARG A 10 5.916 6.235 3.934 1.00 0.00 C ATOM 156 CG ARG A 10 7.182 7.091 4.008 1.00 0.00 C ATOM 157 CD ARG A 10 6.865 8.413 4.710 1.00 0.00 C ATOM 158 NE ARG A 10 7.750 8.432 5.906 1.00 0.00 N ATOM 159 CZ ARG A 10 7.230 8.480 7.101 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.354 7.584 7.464 1.00 0.00 N ATOM 161 NH2 ARG A 10 7.585 9.424 7.930 1.00 0.00 N ATOM 0 H ARG A 10 3.626 7.647 4.230 1.00 0.00 H new ATOM 0 HA ARG A 10 5.558 7.092 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.400 6.246 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.178 5.198 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.963 6.558 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.564 7.282 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.063 9.264 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.814 8.467 4.995 1.00 0.00 H new ATOM 0 HE ARG A 10 8.763 8.407 5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.077 6.848 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.946 7.619 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.269 10.124 7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.178 9.462 8.865 1.00 0.00 H new ATOM 175 N VAL A 11 4.067 5.335 1.118 1.00 0.00 N ATOM 176 CA VAL A 11 3.133 4.295 0.602 1.00 0.00 C ATOM 177 C VAL A 11 3.893 3.016 0.233 1.00 0.00 C ATOM 178 O VAL A 11 4.268 2.817 -0.906 1.00 0.00 O ATOM 179 CB VAL A 11 2.508 4.918 -0.646 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.563 6.050 -0.237 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.615 5.483 -1.541 1.00 0.00 C ATOM 0 H VAL A 11 4.716 5.717 0.429 1.00 0.00 H new ATOM 0 HA VAL A 11 2.387 4.012 1.345 1.00 0.00 H new ATOM 0 HB VAL A 11 1.949 4.156 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.118 6.493 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.775 5.653 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.122 6.812 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.171 5.928 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.172 6.244 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.291 4.680 -1.835 1.00 0.00 H new ATOM 191 N LEU A 12 4.109 2.138 1.175 1.00 0.00 N ATOM 192 CA LEU A 12 4.826 0.873 0.848 1.00 0.00 C ATOM 193 C LEU A 12 3.926 0.024 -0.037 1.00 0.00 C ATOM 194 O LEU A 12 3.123 -0.755 0.435 1.00 0.00 O ATOM 195 CB LEU A 12 5.079 0.195 2.193 1.00 0.00 C ATOM 196 CG LEU A 12 5.937 1.114 3.064 1.00 0.00 C ATOM 197 CD1 LEU A 12 5.968 0.586 4.498 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.361 1.151 2.507 1.00 0.00 C ATOM 0 H LEU A 12 3.823 2.240 2.149 1.00 0.00 H new ATOM 0 HA LEU A 12 5.762 1.031 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.133 -0.018 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.583 -0.760 2.044 1.00 0.00 H new ATOM 0 HG LEU A 12 5.512 2.118 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.580 1.244 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.954 0.555 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.392 -0.418 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.976 1.805 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.781 0.145 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.342 1.529 1.485 1.00 0.00 H new ATOM 210 N VAL A 13 4.036 0.196 -1.324 1.00 0.00 N ATOM 211 CA VAL A 13 3.164 -0.572 -2.248 1.00 0.00 C ATOM 212 C VAL A 13 3.981 -1.588 -3.042 1.00 0.00 C ATOM 213 O VAL A 13 5.036 -1.286 -3.561 1.00 0.00 O ATOM 214 CB VAL A 13 2.553 0.484 -3.178 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.319 -0.087 -3.879 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.141 1.711 -2.358 1.00 0.00 C ATOM 0 H VAL A 13 4.692 0.835 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 13 2.401 -1.141 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 13 3.294 0.769 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.892 0.670 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.605 -0.959 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.579 -0.379 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.707 2.461 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.405 1.418 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.017 2.128 -1.862 1.00 0.00 H new ATOM 226 N VAL A 14 3.492 -2.791 -3.147 1.00 0.00 N ATOM 227 CA VAL A 14 4.229 -3.828 -3.916 1.00 0.00 C ATOM 228 C VAL A 14 3.234 -4.810 -4.554 1.00 0.00 C ATOM 229 O VAL A 14 2.129 -4.986 -4.077 1.00 0.00 O ATOM 230 CB VAL A 14 5.124 -4.536 -2.894 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.364 -3.684 -2.605 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.362 -4.771 -1.589 1.00 0.00 C ATOM 0 H VAL A 14 2.613 -3.100 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 14 4.819 -3.402 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 14 5.427 -5.497 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.995 -4.195 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.924 -3.532 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.056 -2.718 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.012 -5.275 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.042 -3.814 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.488 -5.392 -1.785 1.00 0.00 H new ATOM 242 N GLU A 15 3.605 -5.440 -5.639 1.00 0.00 N ATOM 243 CA GLU A 15 2.662 -6.392 -6.304 1.00 0.00 C ATOM 244 C GLU A 15 3.421 -7.396 -7.179 1.00 0.00 C ATOM 245 O GLU A 15 3.764 -8.476 -6.747 1.00 0.00 O ATOM 246 CB GLU A 15 1.778 -5.515 -7.183 1.00 0.00 C ATOM 247 CG GLU A 15 0.660 -4.893 -6.346 1.00 0.00 C ATOM 248 CD GLU A 15 -0.650 -4.930 -7.135 1.00 0.00 C ATOM 249 OE1 GLU A 15 -0.598 -5.226 -8.318 1.00 0.00 O ATOM 250 OE2 GLU A 15 -1.684 -4.664 -6.543 1.00 0.00 O ATOM 0 H GLU A 15 4.513 -5.338 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 15 2.095 -6.970 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.376 -4.730 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.351 -6.109 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.548 -5.437 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.913 -3.864 -6.089 1.00 0.00 H new ATOM 257 N ASP A 16 3.670 -7.050 -8.415 1.00 0.00 N ATOM 258 CA ASP A 16 4.393 -7.983 -9.316 1.00 0.00 C ATOM 259 C ASP A 16 5.852 -7.548 -9.476 1.00 0.00 C ATOM 260 O ASP A 16 6.744 -8.119 -8.882 1.00 0.00 O ATOM 261 CB ASP A 16 3.652 -7.911 -10.653 1.00 0.00 C ATOM 262 CG ASP A 16 4.521 -8.527 -11.753 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.420 -9.280 -11.418 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.271 -8.235 -12.910 1.00 0.00 O ATOM 0 H ASP A 16 3.402 -6.160 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 16 4.412 -8.999 -8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.703 -8.443 -10.584 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.419 -6.874 -10.896 1.00 0.00 H new ATOM 269 N GLU A 17 6.110 -6.543 -10.272 1.00 0.00 N ATOM 270 CA GLU A 17 7.522 -6.094 -10.451 1.00 0.00 C ATOM 271 C GLU A 17 7.606 -4.900 -11.410 1.00 0.00 C ATOM 272 O GLU A 17 8.089 -3.843 -11.055 1.00 0.00 O ATOM 273 CB GLU A 17 8.243 -7.304 -11.044 1.00 0.00 C ATOM 274 CG GLU A 17 9.158 -7.925 -9.987 1.00 0.00 C ATOM 275 CD GLU A 17 10.510 -8.261 -10.619 1.00 0.00 C ATOM 276 OE1 GLU A 17 10.523 -8.616 -11.787 1.00 0.00 O ATOM 277 OE2 GLU A 17 11.508 -8.159 -9.925 1.00 0.00 O ATOM 0 H GLU A 17 5.412 -6.019 -10.800 1.00 0.00 H new ATOM 0 HA GLU A 17 7.964 -5.763 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.517 -8.040 -11.388 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.827 -7.002 -11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.295 -7.233 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.701 -8.826 -9.579 1.00 0.00 H new ATOM 284 N SER A 18 7.158 -5.061 -12.626 1.00 0.00 N ATOM 285 CA SER A 18 7.238 -3.934 -13.604 1.00 0.00 C ATOM 286 C SER A 18 5.955 -3.093 -13.590 1.00 0.00 C ATOM 287 O SER A 18 5.898 -2.033 -14.183 1.00 0.00 O ATOM 288 CB SER A 18 7.423 -4.605 -14.964 1.00 0.00 C ATOM 289 OG SER A 18 8.468 -3.951 -15.672 1.00 0.00 O ATOM 0 H SER A 18 6.741 -5.920 -12.985 1.00 0.00 H new ATOM 0 HA SER A 18 8.052 -3.250 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.662 -5.660 -14.832 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.496 -4.557 -15.535 1.00 0.00 H new ATOM 0 HG SER A 18 8.591 -4.380 -16.544 1.00 0.00 H new ATOM 295 N MET A 19 4.928 -3.545 -12.927 1.00 0.00 N ATOM 296 CA MET A 19 3.662 -2.751 -12.894 1.00 0.00 C ATOM 297 C MET A 19 3.657 -1.806 -11.691 1.00 0.00 C ATOM 298 O MET A 19 3.319 -0.645 -11.804 1.00 0.00 O ATOM 299 CB MET A 19 2.542 -3.785 -12.764 1.00 0.00 C ATOM 300 CG MET A 19 1.735 -3.835 -14.063 1.00 0.00 C ATOM 301 SD MET A 19 1.630 -5.546 -14.644 1.00 0.00 S ATOM 302 CE MET A 19 3.408 -5.875 -14.704 1.00 0.00 C ATOM 0 H MET A 19 4.907 -4.423 -12.409 1.00 0.00 H new ATOM 0 HA MET A 19 3.545 -2.133 -13.784 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.963 -4.767 -12.548 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.890 -3.527 -11.929 1.00 0.00 H new ATOM 0 HG2 MET A 19 0.735 -3.434 -13.898 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.208 -3.211 -14.821 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.602 -6.704 -15.385 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.931 -4.986 -15.056 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.764 -6.134 -13.707 1.00 0.00 H new ATOM 312 N ILE A 20 4.025 -2.293 -10.541 1.00 0.00 N ATOM 313 CA ILE A 20 4.036 -1.418 -9.336 1.00 0.00 C ATOM 314 C ILE A 20 5.405 -0.776 -9.162 1.00 0.00 C ATOM 315 O ILE A 20 6.061 -0.942 -8.153 1.00 0.00 O ATOM 316 CB ILE A 20 3.739 -2.346 -8.173 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.784 -1.550 -6.871 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.777 -3.465 -8.127 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.611 -1.965 -5.981 1.00 0.00 C ATOM 0 H ILE A 20 4.318 -3.257 -10.382 1.00 0.00 H new ATOM 0 HA ILE A 20 3.310 -0.608 -9.411 1.00 0.00 H new ATOM 0 HB ILE A 20 2.749 -2.784 -8.300 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.727 -1.729 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.734 -0.482 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.560 -4.129 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.743 -4.031 -9.058 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.770 -3.035 -8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.642 -1.398 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.673 -1.764 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.682 -3.030 -5.759 1.00 0.00 H new ATOM 331 N ALA A 21 5.840 -0.046 -10.140 1.00 0.00 N ATOM 332 CA ALA A 21 7.166 0.608 -10.042 1.00 0.00 C ATOM 333 C ALA A 21 7.061 2.044 -10.555 1.00 0.00 C ATOM 334 O ALA A 21 6.656 2.934 -9.838 1.00 0.00 O ATOM 335 CB ALA A 21 8.061 -0.246 -10.931 1.00 0.00 C ATOM 0 H ALA A 21 5.333 0.128 -11.008 1.00 0.00 H new ATOM 0 HA ALA A 21 7.554 0.672 -9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.073 0.159 -10.925 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.078 -1.269 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.674 -0.240 -11.950 1.00 0.00 H new ATOM 341 N MET A 22 7.394 2.282 -11.791 1.00 0.00 N ATOM 342 CA MET A 22 7.273 3.667 -12.320 1.00 0.00 C ATOM 343 C MET A 22 5.847 4.167 -12.086 1.00 0.00 C ATOM 344 O MET A 22 5.603 5.349 -11.958 1.00 0.00 O ATOM 345 CB MET A 22 7.571 3.554 -13.815 1.00 0.00 C ATOM 346 CG MET A 22 8.229 4.846 -14.300 1.00 0.00 C ATOM 347 SD MET A 22 8.390 4.800 -16.102 1.00 0.00 S ATOM 348 CE MET A 22 10.187 4.997 -16.169 1.00 0.00 C ATOM 0 H MET A 22 7.741 1.586 -12.452 1.00 0.00 H new ATOM 0 HA MET A 22 7.952 4.368 -11.835 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.228 2.705 -14.003 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.650 3.372 -14.368 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.631 5.706 -13.999 1.00 0.00 H new ATOM 0 HG3 MET A 22 9.210 4.963 -13.839 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.515 4.996 -17.209 1.00 0.00 H new ATOM 0 HE2 MET A 22 10.467 5.941 -15.701 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.663 4.173 -15.638 1.00 0.00 H new ATOM 358 N LEU A 23 4.904 3.264 -12.024 1.00 0.00 N ATOM 359 CA LEU A 23 3.488 3.670 -11.793 1.00 0.00 C ATOM 360 C LEU A 23 3.334 4.301 -10.404 1.00 0.00 C ATOM 361 O LEU A 23 2.504 5.161 -10.194 1.00 0.00 O ATOM 362 CB LEU A 23 2.692 2.363 -11.895 1.00 0.00 C ATOM 363 CG LEU A 23 1.305 2.518 -11.254 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.427 2.426 -9.731 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.697 3.871 -11.641 1.00 0.00 C ATOM 0 H LEU A 23 5.055 2.260 -12.124 1.00 0.00 H new ATOM 0 HA LEU A 23 3.143 4.416 -12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.584 2.078 -12.942 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.238 1.560 -11.401 1.00 0.00 H new ATOM 0 HG LEU A 23 0.656 1.719 -11.614 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.441 2.536 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.845 1.457 -9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.082 3.219 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.286 3.973 -11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.345 4.675 -11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.599 3.929 -12.725 1.00 0.00 H new ATOM 377 N ILE A 24 4.122 3.878 -9.451 1.00 0.00 N ATOM 378 CA ILE A 24 4.004 4.457 -8.079 1.00 0.00 C ATOM 379 C ILE A 24 4.856 5.720 -7.961 1.00 0.00 C ATOM 380 O ILE A 24 4.580 6.597 -7.167 1.00 0.00 O ATOM 381 CB ILE A 24 4.509 3.369 -7.126 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.056 3.704 -5.701 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.038 3.294 -7.164 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.710 2.738 -4.711 1.00 0.00 C ATOM 0 H ILE A 24 4.839 3.161 -9.561 1.00 0.00 H new ATOM 0 HA ILE A 24 2.979 4.745 -7.846 1.00 0.00 H new ATOM 0 HB ILE A 24 4.101 2.407 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.327 4.731 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.971 3.635 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.381 2.516 -6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.366 3.059 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.457 4.254 -6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.386 2.979 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.417 1.716 -4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.794 2.829 -4.776 1.00 0.00 H new ATOM 396 N GLU A 25 5.888 5.818 -8.748 1.00 0.00 N ATOM 397 CA GLU A 25 6.761 7.023 -8.686 1.00 0.00 C ATOM 398 C GLU A 25 6.203 8.121 -9.594 1.00 0.00 C ATOM 399 O GLU A 25 6.579 9.272 -9.496 1.00 0.00 O ATOM 400 CB GLU A 25 8.126 6.551 -9.190 1.00 0.00 C ATOM 401 CG GLU A 25 8.940 5.996 -8.019 1.00 0.00 C ATOM 402 CD GLU A 25 10.424 5.983 -8.392 1.00 0.00 C ATOM 403 OE1 GLU A 25 11.023 7.046 -8.398 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.937 4.910 -8.663 1.00 0.00 O ATOM 0 H GLU A 25 6.166 5.115 -9.433 1.00 0.00 H new ATOM 0 HA GLU A 25 6.822 7.440 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.998 5.784 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.659 7.379 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.782 6.607 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.606 4.987 -7.775 1.00 0.00 H new ATOM 411 N ASP A 26 5.308 7.774 -10.479 1.00 0.00 N ATOM 412 CA ASP A 26 4.730 8.800 -11.391 1.00 0.00 C ATOM 413 C ASP A 26 3.552 9.503 -10.704 1.00 0.00 C ATOM 414 O ASP A 26 3.488 10.716 -10.652 1.00 0.00 O ATOM 415 CB ASP A 26 4.292 8.016 -12.641 1.00 0.00 C ATOM 416 CG ASP A 26 2.840 7.541 -12.507 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.952 8.370 -12.625 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.642 6.358 -12.291 1.00 0.00 O ATOM 0 H ASP A 26 4.953 6.827 -10.609 1.00 0.00 H new ATOM 0 HA ASP A 26 5.437 9.587 -11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.393 8.646 -13.525 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.948 7.158 -12.785 1.00 0.00 H new ATOM 423 N THR A 27 2.631 8.754 -10.159 1.00 0.00 N ATOM 424 CA THR A 27 1.479 9.382 -9.460 1.00 0.00 C ATOM 425 C THR A 27 1.995 10.112 -8.223 1.00 0.00 C ATOM 426 O THR A 27 1.631 11.238 -7.945 1.00 0.00 O ATOM 427 CB THR A 27 0.575 8.216 -9.062 1.00 0.00 C ATOM 428 OG1 THR A 27 1.368 7.185 -8.482 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.147 7.684 -10.303 1.00 0.00 C ATOM 0 H THR A 27 2.629 7.734 -10.169 1.00 0.00 H new ATOM 0 HA THR A 27 0.945 10.106 -10.075 1.00 0.00 H new ATOM 0 HB THR A 27 -0.165 8.553 -8.336 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.560 6.501 -9.157 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.792 6.852 -10.020 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.751 8.479 -10.741 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.587 7.342 -11.032 1.00 0.00 H new ATOM 437 N LEU A 28 2.865 9.473 -7.495 1.00 0.00 N ATOM 438 CA LEU A 28 3.450 10.105 -6.284 1.00 0.00 C ATOM 439 C LEU A 28 4.216 11.364 -6.695 1.00 0.00 C ATOM 440 O LEU A 28 4.269 12.340 -5.974 1.00 0.00 O ATOM 441 CB LEU A 28 4.401 9.039 -5.741 1.00 0.00 C ATOM 442 CG LEU A 28 5.261 9.609 -4.613 1.00 0.00 C ATOM 443 CD1 LEU A 28 5.635 8.480 -3.649 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.541 10.214 -5.199 1.00 0.00 C ATOM 0 H LEU A 28 3.199 8.529 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 28 2.709 10.410 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.829 8.187 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.041 8.672 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 28 4.703 10.381 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.249 8.879 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.728 8.042 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.195 7.714 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.153 10.620 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.101 9.441 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.281 11.012 -5.895 1.00 0.00 H new ATOM 456 N CYS A 29 4.807 11.341 -7.861 1.00 0.00 N ATOM 457 CA CYS A 29 5.570 12.527 -8.341 1.00 0.00 C ATOM 458 C CYS A 29 4.724 13.792 -8.183 1.00 0.00 C ATOM 459 O CYS A 29 5.227 14.854 -7.872 1.00 0.00 O ATOM 460 CB CYS A 29 5.844 12.246 -9.819 1.00 0.00 C ATOM 461 SG CYS A 29 7.479 12.884 -10.266 1.00 0.00 S ATOM 0 H CYS A 29 4.793 10.548 -8.502 1.00 0.00 H new ATOM 0 HA CYS A 29 6.490 12.686 -7.779 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.796 11.174 -10.011 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.078 12.715 -10.437 1.00 0.00 H new ATOM 0 HG CYS A 29 7.711 12.642 -11.522 1.00 0.00 H new ATOM 467 N GLU A 30 3.441 13.685 -8.397 1.00 0.00 N ATOM 468 CA GLU A 30 2.562 14.875 -8.262 1.00 0.00 C ATOM 469 C GLU A 30 1.943 14.923 -6.864 1.00 0.00 C ATOM 470 O GLU A 30 1.877 15.964 -6.241 1.00 0.00 O ATOM 471 CB GLU A 30 1.477 14.699 -9.326 1.00 0.00 C ATOM 472 CG GLU A 30 0.707 16.013 -9.493 1.00 0.00 C ATOM 473 CD GLU A 30 -0.544 15.993 -8.613 1.00 0.00 C ATOM 474 OE1 GLU A 30 -0.488 15.396 -7.550 1.00 0.00 O ATOM 475 OE2 GLU A 30 -1.537 16.574 -9.017 1.00 0.00 O ATOM 0 H GLU A 30 2.965 12.822 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 30 3.112 15.807 -8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.927 14.406 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.795 13.900 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.342 16.855 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.427 16.151 -10.537 1.00 0.00 H new ATOM 482 N LEU A 31 1.491 13.805 -6.362 1.00 0.00 N ATOM 483 CA LEU A 31 0.881 13.800 -5.002 1.00 0.00 C ATOM 484 C LEU A 31 1.892 14.308 -3.976 1.00 0.00 C ATOM 485 O LEU A 31 1.594 15.163 -3.166 1.00 0.00 O ATOM 486 CB LEU A 31 0.528 12.339 -4.721 1.00 0.00 C ATOM 487 CG LEU A 31 -0.790 11.987 -5.411 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.639 10.658 -6.151 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.896 11.861 -4.361 1.00 0.00 C ATOM 0 H LEU A 31 1.518 12.900 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 31 0.005 14.446 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.324 11.687 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.443 12.175 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.049 12.772 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.579 10.407 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.150 10.745 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.380 9.873 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.836 11.610 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.636 11.076 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.004 12.807 -3.831 1.00 0.00 H new ATOM 501 N GLY A 32 3.087 13.786 -4.002 1.00 0.00 N ATOM 502 CA GLY A 32 4.115 14.238 -3.023 1.00 0.00 C ATOM 503 C GLY A 32 4.461 13.075 -2.097 1.00 0.00 C ATOM 504 O GLY A 32 5.512 13.045 -1.488 1.00 0.00 O ATOM 0 H GLY A 32 3.396 13.068 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.008 14.582 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.739 15.082 -2.444 1.00 0.00 H new ATOM 508 N HIS A 33 3.577 12.117 -1.994 1.00 0.00 N ATOM 509 CA HIS A 33 3.827 10.937 -1.120 1.00 0.00 C ATOM 510 C HIS A 33 5.305 10.545 -1.161 1.00 0.00 C ATOM 511 O HIS A 33 5.932 10.558 -2.201 1.00 0.00 O ATOM 512 CB HIS A 33 2.970 9.821 -1.722 1.00 0.00 C ATOM 513 CG HIS A 33 1.668 9.710 -0.976 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.486 10.254 -1.458 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.344 9.105 0.211 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.485 9.964 -0.571 1.00 0.00 C ATOM 517 NE2 HIS A 33 -0.015 9.265 0.465 1.00 0.00 N ATOM 0 H HIS A 33 2.683 12.104 -2.485 1.00 0.00 H new ATOM 0 HA HIS A 33 3.580 11.137 -0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.778 10.027 -2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.507 8.874 -1.675 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.373 10.778 -2.326 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.039 8.583 0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.517 10.261 -0.684 1.00 0.00 H new ATOM 525 N GLU A 34 5.862 10.190 -0.042 1.00 0.00 N ATOM 526 CA GLU A 34 7.291 9.785 -0.021 1.00 0.00 C ATOM 527 C GLU A 34 7.437 8.410 -0.677 1.00 0.00 C ATOM 528 O GLU A 34 6.518 7.615 -0.687 1.00 0.00 O ATOM 529 CB GLU A 34 7.665 9.726 1.461 1.00 0.00 C ATOM 530 CG GLU A 34 9.112 10.182 1.645 1.00 0.00 C ATOM 531 CD GLU A 34 9.556 9.900 3.082 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.217 8.843 3.589 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.225 10.746 3.651 1.00 0.00 O ATOM 0 H GLU A 34 5.389 10.163 0.861 1.00 0.00 H new ATOM 0 HA GLU A 34 7.936 10.474 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.996 10.363 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.543 8.710 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.762 9.659 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.200 11.247 1.428 1.00 0.00 H new ATOM 540 N VAL A 35 8.581 8.126 -1.224 1.00 0.00 N ATOM 541 CA VAL A 35 8.786 6.803 -1.879 1.00 0.00 C ATOM 542 C VAL A 35 8.840 5.715 -0.811 1.00 0.00 C ATOM 543 O VAL A 35 9.545 5.833 0.171 1.00 0.00 O ATOM 544 CB VAL A 35 10.124 6.917 -2.612 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.650 5.517 -2.938 1.00 0.00 C ATOM 546 CG2 VAL A 35 9.926 7.701 -3.912 1.00 0.00 C ATOM 0 H VAL A 35 9.386 8.752 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 35 7.981 6.544 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 35 10.842 7.436 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.603 5.599 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.790 4.956 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.932 4.997 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.878 7.783 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.207 7.180 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.551 8.698 -3.682 1.00 0.00 H new ATOM 556 N ALA A 36 8.090 4.665 -0.983 1.00 0.00 N ATOM 557 CA ALA A 36 8.092 3.590 0.034 1.00 0.00 C ATOM 558 C ALA A 36 8.439 2.236 -0.597 1.00 0.00 C ATOM 559 O ALA A 36 9.580 1.818 -0.578 1.00 0.00 O ATOM 560 CB ALA A 36 6.676 3.595 0.598 1.00 0.00 C ATOM 0 H ALA A 36 7.478 4.508 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 36 8.841 3.753 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.587 2.824 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.463 4.569 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.965 3.395 -0.203 1.00 0.00 H new ATOM 566 N ALA A 37 7.480 1.532 -1.144 1.00 0.00 N ATOM 567 CA ALA A 37 7.811 0.207 -1.744 1.00 0.00 C ATOM 568 C ALA A 37 7.351 0.116 -3.203 1.00 0.00 C ATOM 569 O ALA A 37 6.328 0.649 -3.585 1.00 0.00 O ATOM 570 CB ALA A 37 7.063 -0.807 -0.881 1.00 0.00 C ATOM 0 H ALA A 37 6.501 1.811 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 37 8.887 0.032 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.253 -1.813 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.408 -0.732 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.994 -0.600 -0.921 1.00 0.00 H new ATOM 576 N THR A 38 8.110 -0.579 -4.009 1.00 0.00 N ATOM 577 CA THR A 38 7.753 -0.751 -5.448 1.00 0.00 C ATOM 578 C THR A 38 8.026 -2.202 -5.858 1.00 0.00 C ATOM 579 O THR A 38 8.929 -2.833 -5.347 1.00 0.00 O ATOM 580 CB THR A 38 8.670 0.209 -6.210 1.00 0.00 C ATOM 581 OG1 THR A 38 10.015 0.007 -5.798 1.00 0.00 O ATOM 582 CG2 THR A 38 8.254 1.653 -5.921 1.00 0.00 C ATOM 0 H THR A 38 8.974 -1.041 -3.727 1.00 0.00 H new ATOM 0 HA THR A 38 6.704 -0.540 -5.653 1.00 0.00 H new ATOM 0 HB THR A 38 8.587 0.018 -7.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.603 0.620 -6.287 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.908 2.336 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.223 1.806 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.334 1.848 -4.852 1.00 0.00 H new ATOM 590 N ALA A 39 7.242 -2.754 -6.746 1.00 0.00 N ATOM 591 CA ALA A 39 7.464 -4.177 -7.133 1.00 0.00 C ATOM 592 C ALA A 39 7.117 -5.038 -5.923 1.00 0.00 C ATOM 593 O ALA A 39 6.516 -4.558 -4.994 1.00 0.00 O ATOM 594 CB ALA A 39 8.952 -4.277 -7.473 1.00 0.00 C ATOM 0 H ALA A 39 6.466 -2.287 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 39 6.858 -4.506 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.190 -5.299 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.184 -3.599 -8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.544 -4.004 -6.599 1.00 0.00 H new ATOM 600 N SER A 40 7.483 -6.284 -5.893 1.00 0.00 N ATOM 601 CA SER A 40 7.142 -7.091 -4.687 1.00 0.00 C ATOM 602 C SER A 40 8.400 -7.708 -4.084 1.00 0.00 C ATOM 603 O SER A 40 9.094 -8.487 -4.705 1.00 0.00 O ATOM 604 CB SER A 40 6.139 -8.146 -5.153 1.00 0.00 C ATOM 605 OG SER A 40 6.796 -9.100 -5.979 1.00 0.00 O ATOM 0 H SER A 40 7.991 -6.773 -6.630 1.00 0.00 H new ATOM 0 HA SER A 40 6.705 -6.482 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.692 -8.643 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.327 -7.672 -5.704 1.00 0.00 H new ATOM 0 HG SER A 40 7.763 -9.050 -5.831 1.00 0.00 H new ATOM 611 N ARG A 41 8.705 -7.324 -2.874 1.00 0.00 N ATOM 612 CA ARG A 41 9.923 -7.829 -2.202 1.00 0.00 C ATOM 613 C ARG A 41 9.588 -8.432 -0.835 1.00 0.00 C ATOM 614 O ARG A 41 8.782 -7.906 -0.092 1.00 0.00 O ATOM 615 CB ARG A 41 10.785 -6.583 -2.030 1.00 0.00 C ATOM 616 CG ARG A 41 12.240 -6.990 -1.821 1.00 0.00 C ATOM 617 CD ARG A 41 12.868 -7.311 -3.177 1.00 0.00 C ATOM 618 NE ARG A 41 13.928 -8.316 -2.881 1.00 0.00 N ATOM 619 CZ ARG A 41 13.886 -9.494 -3.442 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.039 -9.608 -4.732 1.00 0.00 N ATOM 621 NH2 ARG A 41 13.693 -10.558 -2.711 1.00 0.00 N ATOM 0 H ARG A 41 8.150 -6.672 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 41 10.415 -8.618 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.698 -5.945 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.434 -6.001 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.789 -6.185 -1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.297 -7.858 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.128 -7.710 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.289 -6.418 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 41 14.686 -8.083 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.192 -8.777 -5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.006 -10.529 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.575 -10.469 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.660 -11.479 -3.149 1.00 0.00 H new ATOM 635 N MET A 42 10.214 -9.524 -0.491 1.00 0.00 N ATOM 636 CA MET A 42 9.945 -10.150 0.828 1.00 0.00 C ATOM 637 C MET A 42 10.711 -9.402 1.923 1.00 0.00 C ATOM 638 O MET A 42 10.229 -9.232 3.025 1.00 0.00 O ATOM 639 CB MET A 42 10.450 -11.586 0.699 1.00 0.00 C ATOM 640 CG MET A 42 9.690 -12.291 -0.426 1.00 0.00 C ATOM 641 SD MET A 42 10.561 -13.810 -0.885 1.00 0.00 S ATOM 642 CE MET A 42 10.964 -14.362 0.791 1.00 0.00 C ATOM 0 H MET A 42 10.901 -10.008 -1.069 1.00 0.00 H new ATOM 0 HA MET A 42 8.889 -10.119 1.097 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.520 -11.590 0.489 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.308 -12.119 1.639 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.676 -12.525 -0.103 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.606 -11.632 -1.290 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.235 -15.418 0.771 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.802 -13.780 1.174 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.098 -14.222 1.438 1.00 0.00 H new ATOM 652 N GLN A 43 11.898 -8.943 1.626 1.00 0.00 N ATOM 653 CA GLN A 43 12.680 -8.199 2.651 1.00 0.00 C ATOM 654 C GLN A 43 11.975 -6.881 2.972 1.00 0.00 C ATOM 655 O GLN A 43 11.642 -6.605 4.107 1.00 0.00 O ATOM 656 CB GLN A 43 14.046 -7.940 2.013 1.00 0.00 C ATOM 657 CG GLN A 43 15.148 -8.292 3.015 1.00 0.00 C ATOM 658 CD GLN A 43 16.486 -7.734 2.525 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.027 -6.819 3.114 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.046 -8.250 1.465 1.00 0.00 N ATOM 0 H GLN A 43 12.357 -9.051 0.721 1.00 0.00 H new ATOM 0 HA GLN A 43 12.777 -8.753 3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.157 -8.538 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.129 -6.894 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.908 -7.879 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.215 -9.374 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.592 -9.018 0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.938 -7.885 1.131 1.00 0.00 H new ATOM 669 N GLU A 44 11.731 -6.071 1.978 1.00 0.00 N ATOM 670 CA GLU A 44 11.033 -4.783 2.235 1.00 0.00 C ATOM 671 C GLU A 44 9.767 -5.053 3.050 1.00 0.00 C ATOM 672 O GLU A 44 9.418 -4.306 3.942 1.00 0.00 O ATOM 673 CB GLU A 44 10.685 -4.229 0.852 1.00 0.00 C ATOM 674 CG GLU A 44 11.974 -3.946 0.075 1.00 0.00 C ATOM 675 CD GLU A 44 11.631 -3.576 -1.369 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.459 -3.610 -1.706 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.546 -3.265 -2.114 1.00 0.00 O ATOM 0 H GLU A 44 11.984 -6.245 1.005 1.00 0.00 H new ATOM 0 HA GLU A 44 11.641 -4.077 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.069 -4.944 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.100 -3.315 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.525 -3.133 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.621 -4.823 0.093 1.00 0.00 H new ATOM 684 N ALA A 45 9.086 -6.129 2.759 1.00 0.00 N ATOM 685 CA ALA A 45 7.853 -6.457 3.530 1.00 0.00 C ATOM 686 C ALA A 45 8.218 -6.611 5.007 1.00 0.00 C ATOM 687 O ALA A 45 7.433 -6.347 5.893 1.00 0.00 O ATOM 688 CB ALA A 45 7.353 -7.783 2.957 1.00 0.00 C ATOM 0 H ALA A 45 9.329 -6.792 2.023 1.00 0.00 H new ATOM 0 HA ALA A 45 7.089 -5.683 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.445 -8.086 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.138 -7.663 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.119 -8.548 3.088 1.00 0.00 H new ATOM 694 N LEU A 46 9.421 -7.026 5.274 1.00 0.00 N ATOM 695 CA LEU A 46 9.859 -7.179 6.683 1.00 0.00 C ATOM 696 C LEU A 46 9.966 -5.792 7.325 1.00 0.00 C ATOM 697 O LEU A 46 9.596 -5.590 8.464 1.00 0.00 O ATOM 698 CB LEU A 46 11.231 -7.842 6.583 1.00 0.00 C ATOM 699 CG LEU A 46 11.587 -8.509 7.907 1.00 0.00 C ATOM 700 CD1 LEU A 46 12.386 -9.784 7.629 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.434 -7.548 8.744 1.00 0.00 C ATOM 0 H LEU A 46 10.122 -7.267 4.573 1.00 0.00 H new ATOM 0 HA LEU A 46 9.171 -7.766 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.229 -8.582 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.985 -7.098 6.327 1.00 0.00 H new ATOM 0 HG LEU A 46 10.676 -8.760 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.643 -10.265 8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.786 -10.465 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.299 -9.531 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.691 -8.021 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.347 -7.301 8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.868 -6.636 8.935 1.00 0.00 H new ATOM 713 N ASP A 47 10.465 -4.832 6.593 1.00 0.00 N ATOM 714 CA ASP A 47 10.593 -3.456 7.148 1.00 0.00 C ATOM 715 C ASP A 47 9.211 -2.889 7.486 1.00 0.00 C ATOM 716 O ASP A 47 9.049 -2.159 8.438 1.00 0.00 O ATOM 717 CB ASP A 47 11.254 -2.637 6.037 1.00 0.00 C ATOM 718 CG ASP A 47 12.362 -1.768 6.636 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.660 -1.948 7.805 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.893 -0.939 5.916 1.00 0.00 O ATOM 0 H ASP A 47 10.790 -4.943 5.633 1.00 0.00 H new ATOM 0 HA ASP A 47 11.176 -3.437 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.668 -3.301 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.512 -2.010 5.542 1.00 0.00 H new ATOM 725 N ILE A 48 8.211 -3.226 6.718 1.00 0.00 N ATOM 726 CA ILE A 48 6.844 -2.710 7.009 1.00 0.00 C ATOM 727 C ILE A 48 6.070 -3.762 7.814 1.00 0.00 C ATOM 728 O ILE A 48 4.999 -3.507 8.321 1.00 0.00 O ATOM 729 CB ILE A 48 6.173 -2.405 5.637 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.057 -3.415 5.327 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.205 -2.436 4.501 1.00 0.00 C ATOM 732 CD1 ILE A 48 5.669 -4.773 4.998 1.00 0.00 C ATOM 0 H ILE A 48 8.282 -3.835 5.903 1.00 0.00 H new ATOM 0 HA ILE A 48 6.863 -1.800 7.609 1.00 0.00 H new ATOM 0 HB ILE A 48 5.742 -1.406 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.387 -3.505 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.457 -3.063 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.710 -2.220 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.974 -1.687 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.664 -3.423 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.875 -5.487 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.321 -4.678 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.249 -5.127 5.850 1.00 0.00 H new ATOM 744 N ALA A 49 6.612 -4.945 7.937 1.00 0.00 N ATOM 745 CA ALA A 49 5.915 -6.006 8.708 1.00 0.00 C ATOM 746 C ALA A 49 6.184 -5.831 10.206 1.00 0.00 C ATOM 747 O ALA A 49 5.283 -5.892 11.018 1.00 0.00 O ATOM 748 CB ALA A 49 6.508 -7.323 8.204 1.00 0.00 C ATOM 0 H ALA A 49 7.509 -5.219 7.535 1.00 0.00 H new ATOM 0 HA ALA A 49 4.834 -5.972 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.041 -8.157 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.324 -7.419 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.582 -7.333 8.390 1.00 0.00 H new ATOM 754 N ARG A 50 7.418 -5.613 10.579 1.00 0.00 N ATOM 755 CA ARG A 50 7.737 -5.436 12.021 1.00 0.00 C ATOM 756 C ARG A 50 7.556 -3.969 12.422 1.00 0.00 C ATOM 757 O ARG A 50 7.268 -3.655 13.560 1.00 0.00 O ATOM 758 CB ARG A 50 9.208 -5.848 12.188 1.00 0.00 C ATOM 759 CG ARG A 50 9.563 -7.010 11.250 1.00 0.00 C ATOM 760 CD ARG A 50 8.505 -8.112 11.341 1.00 0.00 C ATOM 761 NE ARG A 50 8.574 -8.600 12.747 1.00 0.00 N ATOM 762 CZ ARG A 50 9.353 -9.603 13.054 1.00 0.00 C ATOM 763 NH1 ARG A 50 9.474 -10.611 12.234 1.00 0.00 N ATOM 764 NH2 ARG A 50 10.012 -9.599 14.181 1.00 0.00 N ATOM 0 H ARG A 50 8.216 -5.550 9.946 1.00 0.00 H new ATOM 0 HA ARG A 50 7.080 -6.036 12.651 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.854 -4.996 11.978 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.392 -6.141 13.222 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.634 -6.649 10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.541 -7.413 11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.513 -7.727 11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.711 -8.916 10.634 1.00 0.00 H new ATOM 0 HE ARG A 50 8.013 -8.151 13.470 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.960 -10.616 11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.082 -11.394 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.919 -8.812 14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.620 -10.383 14.419 1.00 0.00 H new ATOM 778 N LYS A 51 7.734 -3.067 11.494 1.00 0.00 N ATOM 779 CA LYS A 51 7.585 -1.618 11.815 1.00 0.00 C ATOM 780 C LYS A 51 6.190 -1.323 12.372 1.00 0.00 C ATOM 781 O LYS A 51 6.043 -0.702 13.406 1.00 0.00 O ATOM 782 CB LYS A 51 7.785 -0.900 10.480 1.00 0.00 C ATOM 783 CG LYS A 51 7.499 0.591 10.653 1.00 0.00 C ATOM 784 CD LYS A 51 8.677 1.406 10.112 1.00 0.00 C ATOM 785 CE LYS A 51 8.786 1.206 8.597 1.00 0.00 C ATOM 786 NZ LYS A 51 9.969 2.013 8.186 1.00 0.00 N ATOM 0 H LYS A 51 7.977 -3.272 10.525 1.00 0.00 H new ATOM 0 HA LYS A 51 8.298 -1.294 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.805 -1.046 10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.122 -1.323 9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.584 0.860 10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.338 0.821 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.537 2.463 10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.602 1.095 10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.920 0.154 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.883 1.543 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.108 1.926 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.810 3.011 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.815 1.665 8.681 1.00 0.00 H new ATOM 800 N GLY A 52 5.164 -1.753 11.691 1.00 0.00 N ATOM 801 CA GLY A 52 3.783 -1.485 12.181 1.00 0.00 C ATOM 802 C GLY A 52 3.609 0.018 12.408 1.00 0.00 C ATOM 803 O GLY A 52 2.723 0.449 13.118 1.00 0.00 O ATOM 0 H GLY A 52 5.222 -2.277 10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.052 -1.842 11.456 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.602 -2.028 13.109 1.00 0.00 H new ATOM 807 N GLN A 53 4.450 0.820 11.812 1.00 0.00 N ATOM 808 CA GLN A 53 4.333 2.296 11.996 1.00 0.00 C ATOM 809 C GLN A 53 4.290 3.001 10.632 1.00 0.00 C ATOM 810 O GLN A 53 3.923 4.154 10.532 1.00 0.00 O ATOM 811 CB GLN A 53 5.583 2.691 12.813 1.00 0.00 C ATOM 812 CG GLN A 53 6.482 3.660 12.028 1.00 0.00 C ATOM 813 CD GLN A 53 7.517 4.279 12.970 1.00 0.00 C ATOM 814 OE1 GLN A 53 8.208 3.575 13.678 1.00 0.00 O ATOM 815 NE2 GLN A 53 7.654 5.578 13.008 1.00 0.00 N ATOM 0 H GLN A 53 5.213 0.517 11.206 1.00 0.00 H new ATOM 0 HA GLN A 53 3.417 2.588 12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.276 3.155 13.750 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.149 1.796 13.072 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.984 3.131 11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.877 4.443 11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.074 6.170 12.413 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.341 6.000 13.632 1.00 0.00 H new ATOM 824 N PHE A 54 4.663 2.319 9.584 1.00 0.00 N ATOM 825 CA PHE A 54 4.644 2.957 8.239 1.00 0.00 C ATOM 826 C PHE A 54 3.265 3.551 7.973 1.00 0.00 C ATOM 827 O PHE A 54 2.397 3.535 8.824 1.00 0.00 O ATOM 828 CB PHE A 54 4.949 1.832 7.248 1.00 0.00 C ATOM 829 CG PHE A 54 3.970 0.701 7.448 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.743 0.707 6.773 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.287 -0.351 8.313 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.836 -0.340 6.966 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.380 -1.397 8.506 1.00 0.00 C ATOM 834 CZ PHE A 54 2.153 -1.392 7.833 1.00 0.00 C ATOM 0 H PHE A 54 4.979 1.349 9.601 1.00 0.00 H new ATOM 0 HA PHE A 54 5.368 3.767 8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.884 2.206 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.968 1.474 7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.498 1.519 6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.234 -0.355 8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.890 -0.337 6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.626 -2.209 9.174 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.451 -2.199 7.983 1.00 0.00 H new ATOM 844 N ASP A 55 3.050 4.079 6.803 1.00 0.00 N ATOM 845 CA ASP A 55 1.721 4.672 6.504 1.00 0.00 C ATOM 846 C ASP A 55 0.821 3.645 5.816 1.00 0.00 C ATOM 847 O ASP A 55 -0.296 3.417 6.234 1.00 0.00 O ATOM 848 CB ASP A 55 2.007 5.855 5.582 1.00 0.00 C ATOM 849 CG ASP A 55 1.757 7.157 6.347 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.609 7.566 6.422 1.00 0.00 O ATOM 851 OD2 ASP A 55 2.716 7.721 6.847 1.00 0.00 O ATOM 0 H ASP A 55 3.732 4.125 6.046 1.00 0.00 H new ATOM 0 HA ASP A 55 1.198 4.986 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.038 5.817 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.368 5.808 4.700 1.00 0.00 H new ATOM 856 N ILE A 56 1.280 3.023 4.763 1.00 0.00 N ATOM 857 CA ILE A 56 0.407 2.025 4.080 1.00 0.00 C ATOM 858 C ILE A 56 1.218 0.840 3.544 1.00 0.00 C ATOM 859 O ILE A 56 2.430 0.879 3.489 1.00 0.00 O ATOM 860 CB ILE A 56 -0.255 2.815 2.955 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.169 3.873 3.591 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.060 1.863 2.068 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.126 4.459 2.552 1.00 0.00 C ATOM 0 H ILE A 56 2.204 3.159 4.352 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.324 1.581 4.756 1.00 0.00 H new ATOM 0 HB ILE A 56 0.493 3.306 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.739 3.426 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.564 4.669 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.533 2.427 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.394 1.113 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.827 1.370 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.764 5.206 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.552 4.926 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.745 3.663 2.138 1.00 0.00 H new ATOM 875 N ALA A 57 0.551 -0.230 3.178 1.00 0.00 N ATOM 876 CA ALA A 57 1.278 -1.436 2.680 1.00 0.00 C ATOM 877 C ALA A 57 0.450 -2.198 1.635 1.00 0.00 C ATOM 878 O ALA A 57 -0.449 -2.937 1.973 1.00 0.00 O ATOM 879 CB ALA A 57 1.425 -2.294 3.932 1.00 0.00 C ATOM 0 H ALA A 57 -0.465 -0.318 3.204 1.00 0.00 H new ATOM 0 HA ALA A 57 2.222 -1.181 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.950 -3.216 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.992 -1.746 4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.438 -2.535 4.326 1.00 0.00 H new ATOM 885 N ILE A 58 0.764 -2.072 0.374 1.00 0.00 N ATOM 886 CA ILE A 58 -0.009 -2.826 -0.652 1.00 0.00 C ATOM 887 C ILE A 58 0.831 -3.997 -1.147 1.00 0.00 C ATOM 888 O ILE A 58 1.988 -3.843 -1.474 1.00 0.00 O ATOM 889 CB ILE A 58 -0.278 -1.829 -1.780 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.336 -0.822 -1.324 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.782 -2.574 -3.018 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.643 0.418 -0.756 1.00 0.00 C ATOM 0 H ILE A 58 1.516 -1.485 0.013 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.942 -3.233 -0.262 1.00 0.00 H new ATOM 0 HB ILE A 58 0.645 -1.304 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.975 -0.544 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.980 -1.271 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.973 -1.860 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.029 -3.292 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.704 -3.101 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.394 1.137 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.023 0.131 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.018 0.870 -1.526 1.00 0.00 H new ATOM 904 N ILE A 59 0.271 -5.170 -1.183 1.00 0.00 N ATOM 905 CA ILE A 59 1.062 -6.349 -1.632 1.00 0.00 C ATOM 906 C ILE A 59 0.148 -7.391 -2.277 1.00 0.00 C ATOM 907 O ILE A 59 -0.172 -8.394 -1.681 1.00 0.00 O ATOM 908 CB ILE A 59 1.665 -6.929 -0.352 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.074 -5.803 0.606 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.883 -7.763 -0.700 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.657 -6.401 1.888 1.00 0.00 C ATOM 0 H ILE A 59 -0.696 -5.365 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 59 1.817 -6.073 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 59 0.917 -7.553 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.809 -5.156 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.210 -5.183 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.313 -8.177 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.590 -8.576 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.623 -7.136 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.946 -5.598 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.908 -7.030 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.533 -7.002 1.644 1.00 0.00 H new ATOM 923 N ASP A 60 -0.279 -7.172 -3.480 1.00 0.00 N ATOM 924 CA ASP A 60 -1.174 -8.169 -4.134 1.00 0.00 C ATOM 925 C ASP A 60 -0.662 -9.595 -3.883 1.00 0.00 C ATOM 926 O ASP A 60 0.488 -9.900 -4.128 1.00 0.00 O ATOM 927 CB ASP A 60 -1.118 -7.836 -5.617 1.00 0.00 C ATOM 928 CG ASP A 60 -2.538 -7.638 -6.152 1.00 0.00 C ATOM 929 OD1 ASP A 60 -3.238 -6.793 -5.620 1.00 0.00 O ATOM 930 OD2 ASP A 60 -2.900 -8.335 -7.084 1.00 0.00 O ATOM 0 H ASP A 60 -0.052 -6.352 -4.042 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.191 -8.126 -3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.530 -6.932 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.622 -8.639 -6.162 1.00 0.00 H new ATOM 935 N VAL A 61 -1.512 -10.467 -3.398 1.00 0.00 N ATOM 936 CA VAL A 61 -1.084 -11.877 -3.121 1.00 0.00 C ATOM 937 C VAL A 61 -1.714 -12.840 -4.123 1.00 0.00 C ATOM 938 O VAL A 61 -1.909 -14.007 -3.845 1.00 0.00 O ATOM 939 CB VAL A 61 -1.587 -12.182 -1.709 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.112 -12.276 -1.716 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.001 -13.515 -1.240 1.00 0.00 C ATOM 0 H VAL A 61 -2.488 -10.264 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.004 -11.993 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.276 -11.385 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.468 -12.493 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.533 -11.329 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.424 -13.073 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.358 -13.735 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.314 -14.309 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.087 -13.452 -1.234 1.00 0.00 H new ATOM 951 N ASN A 62 -2.023 -12.363 -5.288 1.00 0.00 N ATOM 952 CA ASN A 62 -2.630 -13.250 -6.315 1.00 0.00 C ATOM 953 C ASN A 62 -2.428 -12.642 -7.700 1.00 0.00 C ATOM 954 O ASN A 62 -3.130 -12.955 -8.641 1.00 0.00 O ATOM 955 CB ASN A 62 -4.106 -13.301 -5.956 1.00 0.00 C ATOM 956 CG ASN A 62 -4.489 -14.732 -5.570 1.00 0.00 C ATOM 957 OD1 ASN A 62 -3.796 -15.671 -5.910 1.00 0.00 O ATOM 958 ND2 ASN A 62 -5.569 -14.941 -4.868 1.00 0.00 N ATOM 0 H ASN A 62 -1.882 -11.395 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.185 -14.245 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.314 -12.622 -5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.708 -12.967 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.831 -15.891 -4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.152 -14.154 -4.582 1.00 0.00 H new ATOM 965 N LEU A 63 -1.466 -11.775 -7.825 1.00 0.00 N ATOM 966 CA LEU A 63 -1.196 -11.136 -9.138 1.00 0.00 C ATOM 967 C LEU A 63 0.207 -11.519 -9.606 1.00 0.00 C ATOM 968 O LEU A 63 1.194 -11.175 -8.987 1.00 0.00 O ATOM 969 CB LEU A 63 -1.301 -9.633 -8.870 1.00 0.00 C ATOM 970 CG LEU A 63 -0.606 -8.851 -9.986 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.601 -7.884 -10.629 1.00 0.00 C ATOM 972 CD2 LEU A 63 0.563 -8.058 -9.396 1.00 0.00 C ATOM 0 H LEU A 63 -0.851 -11.480 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.889 -11.448 -9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.349 -9.339 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.845 -9.394 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.235 -9.545 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.105 -7.327 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.437 -8.446 -11.046 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.971 -7.189 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.061 -7.499 -10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.189 -7.364 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.273 -8.745 -8.935 1.00 0.00 H new ATOM 984 N ASP A 64 0.293 -12.234 -10.695 1.00 0.00 N ATOM 985 CA ASP A 64 1.618 -12.663 -11.237 1.00 0.00 C ATOM 986 C ASP A 64 2.183 -13.854 -10.448 1.00 0.00 C ATOM 987 O ASP A 64 3.153 -14.459 -10.860 1.00 0.00 O ATOM 988 CB ASP A 64 2.536 -11.443 -11.118 1.00 0.00 C ATOM 989 CG ASP A 64 3.596 -11.494 -12.220 1.00 0.00 C ATOM 990 OD1 ASP A 64 4.581 -12.190 -12.036 1.00 0.00 O ATOM 991 OD2 ASP A 64 3.405 -10.837 -13.230 1.00 0.00 O ATOM 0 H ASP A 64 -0.510 -12.545 -11.241 1.00 0.00 H new ATOM 0 HA ASP A 64 1.531 -12.997 -12.271 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.953 -10.526 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.014 -11.428 -10.139 1.00 0.00 H new ATOM 996 N GLY A 65 1.593 -14.221 -9.334 1.00 0.00 N ATOM 997 CA GLY A 65 2.141 -15.397 -8.588 1.00 0.00 C ATOM 998 C GLY A 65 2.168 -15.138 -7.080 1.00 0.00 C ATOM 999 O GLY A 65 3.171 -15.354 -6.429 1.00 0.00 O ATOM 0 H GLY A 65 0.778 -13.771 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.533 -16.278 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.149 -15.615 -8.939 1.00 0.00 H new ATOM 1003 N GLU A 66 1.065 -14.703 -6.530 1.00 0.00 N ATOM 1004 CA GLU A 66 0.965 -14.441 -5.059 1.00 0.00 C ATOM 1005 C GLU A 66 2.324 -14.168 -4.407 1.00 0.00 C ATOM 1006 O GLU A 66 2.729 -14.873 -3.503 1.00 0.00 O ATOM 1007 CB GLU A 66 0.345 -15.715 -4.481 1.00 0.00 C ATOM 1008 CG GLU A 66 1.141 -16.932 -4.956 1.00 0.00 C ATOM 1009 CD GLU A 66 1.114 -18.014 -3.876 1.00 0.00 C ATOM 1010 OE1 GLU A 66 0.387 -17.843 -2.912 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.822 -18.995 -4.031 1.00 0.00 O ATOM 0 H GLU A 66 0.208 -14.513 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 66 0.373 -13.546 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.345 -15.670 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.695 -15.802 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.717 -17.318 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.170 -16.645 -5.172 1.00 0.00 H new ATOM 1018 N PRO A 67 2.974 -13.137 -4.867 1.00 0.00 N ATOM 1019 CA PRO A 67 4.283 -12.753 -4.299 1.00 0.00 C ATOM 1020 C PRO A 67 4.074 -11.889 -3.046 1.00 0.00 C ATOM 1021 O PRO A 67 4.979 -11.226 -2.577 1.00 0.00 O ATOM 1022 CB PRO A 67 4.921 -11.933 -5.414 1.00 0.00 C ATOM 1023 CG PRO A 67 3.776 -11.384 -6.213 1.00 0.00 C ATOM 1024 CD PRO A 67 2.563 -12.248 -5.954 1.00 0.00 C ATOM 0 HA PRO A 67 4.893 -13.603 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.537 -11.130 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.571 -12.551 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.575 -10.351 -5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.021 -11.381 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.700 -11.646 -5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.280 -12.812 -6.843 1.00 0.00 H new ATOM 1032 N SER A 68 2.878 -11.883 -2.513 1.00 0.00 N ATOM 1033 CA SER A 68 2.591 -11.051 -1.301 1.00 0.00 C ATOM 1034 C SER A 68 3.099 -11.729 -0.022 1.00 0.00 C ATOM 1035 O SER A 68 2.788 -11.308 1.073 1.00 0.00 O ATOM 1036 CB SER A 68 1.073 -10.931 -1.269 1.00 0.00 C ATOM 1037 OG SER A 68 0.696 -9.976 -0.299 1.00 0.00 O ATOM 0 H SER A 68 2.085 -12.419 -2.865 1.00 0.00 H new ATOM 0 HA SER A 68 3.090 -10.083 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.700 -10.635 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.626 -11.897 -1.036 1.00 0.00 H new ATOM 0 HG SER A 68 0.165 -9.270 -0.724 1.00 0.00 H new ATOM 1043 N TYR A 69 3.886 -12.763 -0.161 1.00 0.00 N ATOM 1044 CA TYR A 69 4.444 -13.487 1.023 1.00 0.00 C ATOM 1045 C TYR A 69 3.362 -13.809 2.061 1.00 0.00 C ATOM 1046 O TYR A 69 2.271 -13.253 2.062 1.00 0.00 O ATOM 1047 CB TYR A 69 5.533 -12.590 1.652 1.00 0.00 C ATOM 1048 CG TYR A 69 5.653 -11.259 0.938 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.442 -11.155 -0.209 1.00 0.00 C ATOM 1050 CD2 TYR A 69 4.975 -10.134 1.425 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.555 -9.928 -0.869 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.086 -8.909 0.767 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.877 -8.803 -0.382 1.00 0.00 C ATOM 1054 OH TYR A 69 5.989 -7.591 -1.034 1.00 0.00 O ATOM 0 H TYR A 69 4.172 -13.145 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 69 4.861 -14.440 0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.299 -12.418 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.492 -13.107 1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.965 -12.022 -0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.365 -10.215 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.166 -9.847 -1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.562 -8.043 1.144 1.00 0.00 H new ATOM 0 HH TYR A 69 6.889 -7.227 -0.897 1.00 0.00 H new ATOM 1064 N PRO A 70 3.718 -14.711 2.928 1.00 0.00 N ATOM 1065 CA PRO A 70 2.799 -15.137 3.999 1.00 0.00 C ATOM 1066 C PRO A 70 2.611 -14.003 5.002 1.00 0.00 C ATOM 1067 O PRO A 70 1.820 -14.104 5.918 1.00 0.00 O ATOM 1068 CB PRO A 70 3.510 -16.329 4.635 1.00 0.00 C ATOM 1069 CG PRO A 70 4.955 -16.122 4.320 1.00 0.00 C ATOM 1070 CD PRO A 70 5.007 -15.408 2.996 1.00 0.00 C ATOM 0 HA PRO A 70 1.803 -15.396 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.340 -16.363 5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.147 -17.271 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.441 -15.533 5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.481 -17.075 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.843 -14.710 2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.129 -16.107 2.168 1.00 0.00 H new ATOM 1078 N VAL A 71 3.315 -12.910 4.837 1.00 0.00 N ATOM 1079 CA VAL A 71 3.123 -11.799 5.798 1.00 0.00 C ATOM 1080 C VAL A 71 1.973 -10.918 5.323 1.00 0.00 C ATOM 1081 O VAL A 71 1.011 -10.764 6.029 1.00 0.00 O ATOM 1082 CB VAL A 71 4.453 -11.040 5.904 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.558 -12.009 6.323 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.815 -10.418 4.562 1.00 0.00 C ATOM 0 H VAL A 71 3.996 -12.747 4.095 1.00 0.00 H new ATOM 0 HA VAL A 71 2.854 -12.158 6.791 1.00 0.00 H new ATOM 0 HB VAL A 71 4.349 -10.249 6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.503 -11.472 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.311 -12.447 7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.649 -12.801 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.760 -9.883 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.912 -11.203 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.032 -9.723 4.260 1.00 0.00 H new ATOM 1094 N ALA A 72 2.010 -10.389 4.119 1.00 0.00 N ATOM 1095 CA ALA A 72 0.837 -9.593 3.639 1.00 0.00 C ATOM 1096 C ALA A 72 -0.419 -10.337 4.053 1.00 0.00 C ATOM 1097 O ALA A 72 -1.403 -9.767 4.482 1.00 0.00 O ATOM 1098 CB ALA A 72 0.962 -9.630 2.140 1.00 0.00 C ATOM 0 H ALA A 72 2.786 -10.473 3.462 1.00 0.00 H new ATOM 0 HA ALA A 72 0.799 -8.576 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.141 -9.070 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.911 -9.183 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.925 -10.664 1.797 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.347 -11.633 3.951 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.483 -12.490 4.362 1.00 0.00 C ATOM 1106 C ASP A 73 -1.753 -12.300 5.848 1.00 0.00 C ATOM 1107 O ASP A 73 -2.848 -11.989 6.273 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.965 -13.892 4.133 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.126 -14.271 2.660 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.291 -13.371 1.854 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -1.083 -15.454 2.364 1.00 0.00 O ATOM 0 H ASP A 73 0.464 -12.139 3.595 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.403 -12.269 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.085 -13.953 4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.509 -14.597 4.761 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.736 -12.502 6.635 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.875 -12.358 8.111 1.00 0.00 C ATOM 1118 C ILE A 74 -1.092 -10.893 8.473 1.00 0.00 C ATOM 1119 O ILE A 74 -1.888 -10.562 9.329 1.00 0.00 O ATOM 1120 CB ILE A 74 0.446 -12.862 8.688 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.491 -14.388 8.597 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.561 -12.437 10.154 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.891 -14.881 8.967 1.00 0.00 C ATOM 0 H ILE A 74 0.197 -12.764 6.316 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.726 -12.915 8.503 1.00 0.00 H new ATOM 0 HB ILE A 74 1.274 -12.437 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.249 -14.825 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.236 -14.710 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.504 -12.797 10.564 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.528 -11.350 10.221 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.267 -12.861 10.722 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.923 -15.969 8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.621 -14.455 8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.129 -14.571 9.985 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.399 -10.013 7.815 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.572 -8.575 8.100 1.00 0.00 C ATOM 1137 C LEU A 75 -2.061 -8.257 8.044 1.00 0.00 C ATOM 1138 O LEU A 75 -2.598 -7.608 8.905 1.00 0.00 O ATOM 1139 CB LEU A 75 0.201 -7.868 6.984 1.00 0.00 C ATOM 1140 CG LEU A 75 0.786 -6.560 7.513 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.024 -6.862 8.358 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.178 -5.667 6.334 1.00 0.00 C ATOM 0 H LEU A 75 0.283 -10.233 7.089 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.209 -8.265 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.000 -8.513 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.460 -7.667 6.141 1.00 0.00 H new ATOM 0 HG LEU A 75 0.044 -6.049 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.443 -5.929 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.746 -7.501 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.768 -7.371 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.596 -4.733 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.922 -6.178 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.296 -5.454 5.730 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.725 -8.736 7.035 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.189 -8.498 6.899 1.00 0.00 C ATOM 1156 C ALA A 76 -4.959 -9.086 8.090 1.00 0.00 C ATOM 1157 O ALA A 76 -5.928 -8.518 8.554 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.564 -9.227 5.610 1.00 0.00 C ATOM 0 H ALA A 76 -2.311 -9.291 6.286 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.435 -7.436 6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.631 -9.109 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.001 -8.806 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.328 -10.286 5.709 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.547 -10.224 8.581 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.265 -10.853 9.731 1.00 0.00 C ATOM 1166 C GLU A 77 -5.154 -9.979 10.986 1.00 0.00 C ATOM 1167 O GLU A 77 -6.075 -9.881 11.772 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.563 -12.195 9.942 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.599 -12.999 8.639 1.00 0.00 C ATOM 1170 CD GLU A 77 -5.931 -13.742 8.532 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -6.930 -13.092 8.271 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -5.930 -14.949 8.712 1.00 0.00 O ATOM 0 H GLU A 77 -3.743 -10.747 8.236 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.330 -10.972 9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.531 -12.033 10.254 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.053 -12.753 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.473 -12.333 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.772 -13.709 8.615 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.033 -9.342 11.169 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.842 -8.464 12.357 1.00 0.00 C ATOM 1181 C ARG A 78 -3.500 -7.055 11.881 1.00 0.00 C ATOM 1182 O ARG A 78 -2.891 -6.269 12.579 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.660 -9.071 13.117 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.370 -8.854 12.316 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.317 -8.193 13.209 1.00 0.00 C ATOM 1186 NE ARG A 78 0.970 -8.843 12.829 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.111 -10.134 12.958 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.252 -10.818 13.664 1.00 0.00 N ATOM 1189 NH2 ARG A 78 2.109 -10.744 12.380 1.00 0.00 N ATOM 0 H ARG A 78 -3.232 -9.392 10.540 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.731 -8.400 12.985 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.571 -8.610 14.101 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.826 -10.136 13.278 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.997 -9.808 11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.570 -8.227 11.447 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.279 -7.116 13.045 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.541 -8.347 14.265 1.00 0.00 H new ATOM 0 HE ARG A 78 1.740 -8.279 12.468 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.530 -10.343 14.115 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.363 -11.827 13.764 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.780 -10.212 11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.218 -11.753 12.482 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.861 -6.761 10.670 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.544 -5.438 10.074 1.00 0.00 C ATOM 1205 C ASN A 79 -4.251 -4.307 10.824 1.00 0.00 C ATOM 1206 O ASN A 79 -5.412 -4.409 11.169 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.086 -5.542 8.647 1.00 0.00 C ATOM 1208 CG ASN A 79 -2.959 -5.446 7.599 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -3.143 -5.852 6.469 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -1.804 -4.922 7.903 1.00 0.00 N ATOM 0 H ASN A 79 -4.373 -7.393 10.055 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.479 -5.211 10.117 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.615 -6.488 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.812 -4.747 8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.071 -4.858 7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.633 -4.576 8.847 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.565 -3.221 11.063 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.213 -2.079 11.772 1.00 0.00 C ATOM 1219 C VAL A 80 -4.120 -0.781 10.905 1.00 0.00 C ATOM 1220 O VAL A 80 -4.935 -0.639 10.016 1.00 0.00 O ATOM 1221 CB VAL A 80 -3.519 -2.021 13.136 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -4.242 -1.020 14.039 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -3.598 -3.406 13.781 1.00 0.00 C ATOM 0 H VAL A 80 -2.590 -3.075 10.800 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.285 -2.195 11.929 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.481 -1.714 13.007 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.746 -0.981 15.009 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.218 -0.032 13.579 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.277 -1.333 14.173 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.108 -3.383 14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.643 -3.689 13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.100 -4.134 13.141 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.175 0.137 11.125 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.128 1.345 10.254 1.00 0.00 C ATOM 1235 C PRO A 81 -2.343 1.054 8.972 1.00 0.00 C ATOM 1236 O PRO A 81 -1.164 0.776 9.020 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.373 2.366 11.083 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.509 1.566 12.008 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.109 0.183 12.139 1.00 0.00 C ATOM 0 HA PRO A 81 -4.122 1.678 9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.772 3.019 10.450 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.059 3.005 11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.492 1.504 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.449 2.048 12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.362 -0.591 11.962 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.508 0.018 13.140 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.986 1.136 7.833 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.289 0.869 6.531 1.00 0.00 C ATOM 1249 C PHE A 82 -3.323 0.752 5.401 1.00 0.00 C ATOM 1250 O PHE A 82 -4.377 1.356 5.426 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.603 -0.496 6.698 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.666 -1.567 6.671 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.607 -1.625 7.699 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.729 -2.474 5.608 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.616 -2.592 7.668 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.735 -3.444 5.578 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.679 -3.501 6.605 1.00 0.00 C ATOM 0 H PHE A 82 -3.973 1.379 7.747 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.588 1.667 6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.880 -0.658 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.052 -0.532 7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.556 -0.923 8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.001 -2.425 4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.346 -2.638 8.463 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.782 -4.149 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.459 -4.247 6.579 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.021 -0.074 4.435 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.954 -0.324 3.304 1.00 0.00 C ATOM 1269 C ILE A 83 -3.425 -1.523 2.520 1.00 0.00 C ATOM 1270 O ILE A 83 -2.259 -1.826 2.597 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.938 0.957 2.471 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.316 1.601 2.529 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.587 0.661 1.002 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.179 3.114 2.339 1.00 0.00 C ATOM 0 H ILE A 83 -2.146 -0.596 4.384 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.974 -0.553 3.613 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.181 1.626 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.958 1.183 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.790 1.385 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.583 1.591 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.601 0.200 0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.328 -0.018 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.165 3.577 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.552 3.525 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.722 3.319 1.371 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.242 -2.219 1.780 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.691 -3.388 1.037 1.00 0.00 C ATOM 1288 C PHE A 84 -4.560 -3.788 -0.163 1.00 0.00 C ATOM 1289 O PHE A 84 -5.714 -3.390 -0.319 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.663 -4.508 2.075 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.942 -5.725 1.525 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.628 -6.613 0.690 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.598 -5.976 1.850 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.987 -7.737 0.174 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.960 -7.102 1.329 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.653 -7.985 0.491 1.00 0.00 C ATOM 0 H PHE A 84 -5.238 -2.038 1.658 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.712 -3.164 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.164 -4.161 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.681 -4.777 2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.663 -6.426 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.062 -5.301 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.524 -8.416 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.074 -7.294 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.155 -8.856 0.092 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.011 -4.608 -1.007 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.784 -5.077 -2.171 1.00 0.00 C ATOM 1308 C ALA A 85 -4.346 -6.490 -2.554 1.00 0.00 C ATOM 1309 O ALA A 85 -3.257 -6.919 -2.233 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.477 -4.112 -3.310 1.00 0.00 C ATOM 0 H ALA A 85 -3.060 -4.971 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.851 -5.105 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.027 -4.415 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.777 -3.104 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.408 -4.126 -3.521 1.00 0.00 H new ATOM 1316 N THR A 86 -5.178 -7.215 -3.241 1.00 0.00 N ATOM 1317 CA THR A 86 -4.793 -8.593 -3.639 1.00 0.00 C ATOM 1318 C THR A 86 -5.831 -9.168 -4.612 1.00 0.00 C ATOM 1319 O THR A 86 -6.924 -8.652 -4.742 1.00 0.00 O ATOM 1320 CB THR A 86 -4.727 -9.362 -2.310 1.00 0.00 C ATOM 1321 OG1 THR A 86 -3.387 -9.756 -2.072 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.626 -10.599 -2.336 1.00 0.00 C ATOM 0 H THR A 86 -6.105 -6.915 -3.543 1.00 0.00 H new ATOM 0 HA THR A 86 -3.843 -8.649 -4.170 1.00 0.00 H new ATOM 0 HB THR A 86 -5.079 -8.707 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.840 -8.963 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.556 -11.120 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.658 -10.295 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.305 -11.265 -3.137 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.494 -10.229 -5.295 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.457 -10.836 -6.260 1.00 0.00 C ATOM 1332 C GLY A 87 -7.652 -11.416 -5.498 1.00 0.00 C ATOM 1333 O GLY A 87 -7.939 -12.594 -5.578 1.00 0.00 O ATOM 0 H GLY A 87 -4.593 -10.702 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.797 -10.084 -6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.965 -11.620 -6.836 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.351 -10.595 -4.762 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.531 -11.086 -3.994 1.00 0.00 C ATOM 1339 C TYR A 88 -10.358 -9.889 -3.502 1.00 0.00 C ATOM 1340 O TYR A 88 -11.573 -9.911 -3.541 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.943 -11.887 -2.820 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.866 -11.815 -1.624 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -11.228 -12.102 -1.772 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -9.358 -11.456 -0.370 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -12.081 -12.028 -0.666 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -10.210 -11.383 0.736 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.573 -11.670 0.589 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.416 -11.597 1.678 1.00 0.00 O ATOM 0 H TYR A 88 -8.154 -9.599 -4.659 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.200 -11.705 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.799 -12.926 -3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.962 -11.492 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.620 -12.380 -2.739 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.307 -11.235 -0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.132 -12.247 -0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.817 -11.105 1.703 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.187 -12.303 2.317 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.715 -8.843 -3.046 1.00 0.00 N ATOM 1359 CA GLY A 89 -10.482 -7.656 -2.567 1.00 0.00 C ATOM 1360 C GLY A 89 -10.303 -7.474 -1.056 1.00 0.00 C ATOM 1361 O GLY A 89 -11.127 -6.870 -0.399 1.00 0.00 O ATOM 0 H GLY A 89 -8.700 -8.761 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.143 -6.762 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.539 -7.780 -2.801 1.00 0.00 H new ATOM 1365 N SER A 90 -9.233 -7.977 -0.496 1.00 0.00 N ATOM 1366 CA SER A 90 -9.008 -7.814 0.975 1.00 0.00 C ATOM 1367 C SER A 90 -10.008 -8.650 1.778 1.00 0.00 C ATOM 1368 O SER A 90 -11.173 -8.734 1.443 1.00 0.00 O ATOM 1369 CB SER A 90 -9.226 -6.325 1.245 1.00 0.00 C ATOM 1370 OG SER A 90 -8.080 -5.792 1.898 1.00 0.00 O ATOM 0 H SER A 90 -8.506 -8.493 -0.991 1.00 0.00 H new ATOM 0 HA SER A 90 -8.014 -8.149 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.404 -5.796 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.111 -6.182 1.865 1.00 0.00 H new ATOM 0 HG SER A 90 -8.081 -4.815 1.816 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.564 -9.257 2.847 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.491 -10.068 3.683 1.00 0.00 C ATOM 1378 C LYS A 91 -11.235 -9.142 4.638 1.00 0.00 C ATOM 1379 O LYS A 91 -11.137 -9.277 5.842 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.607 -11.026 4.488 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.551 -11.671 3.588 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.436 -12.254 4.458 1.00 0.00 C ATOM 1383 CE LYS A 91 -6.522 -11.126 4.943 1.00 0.00 C ATOM 1384 NZ LYS A 91 -5.800 -10.651 3.724 1.00 0.00 N ATOM 0 H LYS A 91 -8.599 -9.225 3.176 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.220 -10.608 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.120 -10.485 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.223 -11.799 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.003 -12.456 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.142 -10.932 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.864 -12.781 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.860 -12.983 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.099 -10.320 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.823 -11.484 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.775 -10.757 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.097 -11.215 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.025 -9.650 3.555 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.947 -8.176 4.127 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.644 -7.236 5.042 1.00 0.00 C ATOM 1400 C GLY A 92 -11.611 -6.728 6.047 1.00 0.00 C ATOM 1401 O GLY A 92 -11.939 -6.302 7.137 1.00 0.00 O ATOM 0 H GLY A 92 -12.074 -8.000 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.077 -6.406 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.465 -7.737 5.555 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.356 -6.789 5.672 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.258 -6.334 6.570 1.00 0.00 C ATOM 1407 C LEU A 93 -9.695 -5.131 7.409 1.00 0.00 C ATOM 1408 O LEU A 93 -10.532 -4.347 7.009 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.074 -6.000 5.640 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.346 -4.784 4.724 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.766 -4.802 4.150 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.138 -3.493 5.505 1.00 0.00 C ATOM 0 H LEU A 93 -10.045 -7.141 4.766 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.978 -7.100 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.190 -5.801 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.848 -6.869 5.022 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.645 -4.841 3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.912 -3.930 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.909 -5.709 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.489 -4.781 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.331 -2.639 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.823 -3.466 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.111 -3.448 5.867 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.145 -4.998 8.586 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.536 -3.866 9.476 1.00 0.00 C ATOM 1426 C ASP A 94 -8.411 -2.836 9.562 1.00 0.00 C ATOM 1427 O ASP A 94 -7.251 -3.152 9.388 1.00 0.00 O ATOM 1428 CB ASP A 94 -9.782 -4.504 10.844 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.456 -5.005 11.418 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -7.785 -4.226 12.075 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.133 -6.159 11.190 1.00 0.00 O ATOM 0 H ASP A 94 -8.440 -5.626 8.971 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.415 -3.340 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.232 -3.777 11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.486 -5.331 10.750 1.00 0.00 H new ATOM 1436 N THR A 95 -8.746 -1.604 9.829 1.00 0.00 N ATOM 1437 CA THR A 95 -7.693 -0.554 9.925 1.00 0.00 C ATOM 1438 C THR A 95 -8.302 0.786 10.329 1.00 0.00 C ATOM 1439 O THR A 95 -9.473 1.038 10.122 1.00 0.00 O ATOM 1440 CB THR A 95 -7.118 -0.453 8.513 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.161 0.597 8.461 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.250 -0.173 7.520 1.00 0.00 C ATOM 0 H THR A 95 -9.700 -1.279 9.984 1.00 0.00 H new ATOM 0 HA THR A 95 -6.940 -0.801 10.673 1.00 0.00 H new ATOM 0 HB THR A 95 -6.632 -1.393 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.287 0.258 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.841 -0.101 6.512 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.977 -0.984 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.739 0.765 7.781 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.503 1.666 10.872 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.028 3.006 11.248 1.00 0.00 C ATOM 1452 C ARG A 96 -8.471 3.732 9.976 1.00 0.00 C ATOM 1453 O ARG A 96 -9.116 4.761 10.018 1.00 0.00 O ATOM 1454 CB ARG A 96 -6.844 3.737 11.885 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.290 2.911 13.049 1.00 0.00 C ATOM 1456 CD ARG A 96 -5.185 3.702 13.754 1.00 0.00 C ATOM 1457 NE ARG A 96 -5.413 3.470 15.208 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.141 4.413 16.072 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.949 5.427 16.210 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -4.061 4.339 16.800 1.00 0.00 N ATOM 0 H ARG A 96 -6.514 1.514 11.070 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.879 2.954 11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.065 3.903 11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.159 4.718 12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.088 2.673 13.753 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.896 1.963 12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.197 3.357 13.449 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.242 4.763 13.510 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.782 2.575 15.530 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.795 5.486 15.643 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.735 6.162 16.885 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.429 3.546 16.695 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.849 5.075 17.474 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.106 3.197 8.843 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.468 3.832 7.551 1.00 0.00 C ATOM 1476 C TYR A 97 -9.940 3.582 7.206 1.00 0.00 C ATOM 1477 O TYR A 97 -10.524 4.286 6.407 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.556 3.135 6.548 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.186 3.760 6.598 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.397 3.624 7.746 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.705 4.476 5.497 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.126 4.205 7.793 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.434 5.057 5.543 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.643 4.922 6.691 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.390 5.497 6.735 1.00 0.00 O ATOM 0 H TYR A 97 -7.566 2.336 8.760 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.346 4.915 7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.491 2.071 6.777 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.970 3.220 5.543 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.770 3.071 8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.315 4.580 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.517 4.101 8.679 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.062 5.610 4.693 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.710 4.814 6.556 1.00 0.00 H new ATOM 1495 N SER A 98 -10.542 2.581 7.791 1.00 0.00 N ATOM 1496 CA SER A 98 -11.970 2.281 7.486 1.00 0.00 C ATOM 1497 C SER A 98 -12.082 1.697 6.079 1.00 0.00 C ATOM 1498 O SER A 98 -13.025 1.958 5.360 1.00 0.00 O ATOM 1499 CB SER A 98 -12.706 3.619 7.577 1.00 0.00 C ATOM 1500 OG SER A 98 -12.009 4.478 8.468 1.00 0.00 O ATOM 0 H SER A 98 -10.104 1.957 8.469 1.00 0.00 H new ATOM 0 HA SER A 98 -12.394 1.552 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.774 4.077 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.726 3.463 7.927 1.00 0.00 H new ATOM 0 HG SER A 98 -12.477 5.337 8.527 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.122 0.905 5.683 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.172 0.300 4.328 1.00 0.00 C ATOM 1508 C ASN A 99 -11.230 1.400 3.265 1.00 0.00 C ATOM 1509 O ASN A 99 -12.172 2.162 3.197 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.448 -0.538 4.335 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.117 -1.953 4.813 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.765 -2.906 4.429 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.123 -2.130 5.642 1.00 0.00 N ATOM 0 H ASN A 99 -10.307 0.653 6.242 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.294 -0.303 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.192 -0.084 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.881 -0.571 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.891 -3.069 5.967 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.579 -1.330 5.964 1.00 0.00 H new ATOM 1520 N ILE A 100 -10.221 1.490 2.441 1.00 0.00 N ATOM 1521 CA ILE A 100 -10.208 2.545 1.380 1.00 0.00 C ATOM 1522 C ILE A 100 -9.822 1.888 0.019 1.00 0.00 C ATOM 1523 O ILE A 100 -10.706 1.339 -0.608 1.00 0.00 O ATOM 1524 CB ILE A 100 -9.256 3.659 1.891 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -8.958 3.466 3.385 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -9.918 5.020 1.702 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -7.952 2.325 3.564 1.00 0.00 C ATOM 0 H ILE A 100 -9.404 0.880 2.455 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.176 3.009 1.192 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.326 3.606 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.558 4.387 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.878 3.241 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.250 5.803 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.128 5.179 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.850 5.053 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.741 2.189 4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.369 1.405 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.028 2.569 3.039 1.00 0.00 H new ATOM 1539 N PRO A 101 -8.564 1.887 -0.430 1.00 0.00 N ATOM 1540 CA PRO A 101 -8.263 1.194 -1.717 1.00 0.00 C ATOM 1541 C PRO A 101 -8.299 -0.326 -1.525 1.00 0.00 C ATOM 1542 O PRO A 101 -7.397 -1.024 -1.946 1.00 0.00 O ATOM 1543 CB PRO A 101 -6.831 1.602 -2.036 1.00 0.00 C ATOM 1544 CG PRO A 101 -6.233 1.924 -0.709 1.00 0.00 C ATOM 1545 CD PRO A 101 -7.342 2.487 0.132 1.00 0.00 C ATOM 0 HA PRO A 101 -8.979 1.454 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.289 0.796 -2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.802 2.463 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.810 1.032 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.421 2.644 -0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.217 2.225 1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.371 3.575 0.076 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.306 -0.855 -0.892 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.331 -2.334 -0.692 1.00 0.00 C ATOM 1555 C LEU A 102 -9.566 -3.040 -2.026 1.00 0.00 C ATOM 1556 O LEU A 102 -10.681 -3.163 -2.486 1.00 0.00 O ATOM 1557 CB LEU A 102 -10.466 -2.651 0.306 1.00 0.00 C ATOM 1558 CG LEU A 102 -11.637 -1.658 0.199 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -12.056 -1.461 -1.261 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -12.829 -2.211 0.984 1.00 0.00 C ATOM 0 H LEU A 102 -10.100 -0.342 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.378 -2.687 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.833 -3.662 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.069 -2.632 1.321 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.318 -0.698 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.885 -0.755 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.213 -1.071 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.368 -2.417 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.665 -1.515 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.124 -3.174 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.549 -2.338 2.030 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.528 -3.505 -2.670 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.764 -4.180 -3.985 1.00 0.00 C ATOM 1574 C LEU A 103 -7.489 -4.826 -4.531 1.00 0.00 C ATOM 1575 O LEU A 103 -6.683 -5.343 -3.796 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.223 -3.035 -4.901 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.516 -3.364 -5.683 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -11.267 -4.566 -5.095 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -11.428 -2.141 -5.626 1.00 0.00 C ATOM 0 H LEU A 103 -7.558 -3.452 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.489 -4.990 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.387 -2.141 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.427 -2.802 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.239 -3.619 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.167 -4.755 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.624 -5.446 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.544 -4.352 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.349 -2.348 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.665 -1.912 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.922 -1.288 -6.079 1.00 0.00 H new ATOM 1591 N THR A 104 -7.315 -4.817 -5.825 1.00 0.00 N ATOM 1592 CA THR A 104 -6.105 -5.441 -6.418 1.00 0.00 C ATOM 1593 C THR A 104 -5.448 -4.490 -7.425 1.00 0.00 C ATOM 1594 O THR A 104 -4.396 -4.773 -7.963 1.00 0.00 O ATOM 1595 CB THR A 104 -6.610 -6.702 -7.121 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.518 -7.365 -7.742 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.648 -6.318 -8.177 1.00 0.00 C ATOM 0 H THR A 104 -7.962 -4.403 -6.496 1.00 0.00 H new ATOM 0 HA THR A 104 -5.352 -5.668 -5.664 1.00 0.00 H new ATOM 0 HB THR A 104 -7.070 -7.368 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.859 -6.703 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.007 -7.217 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.485 -5.811 -7.697 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.192 -5.652 -8.910 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.057 -3.365 -7.685 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.462 -2.402 -8.657 1.00 0.00 C ATOM 1607 C LYS A 105 -4.548 -1.414 -7.930 1.00 0.00 C ATOM 1608 O LYS A 105 -4.849 -0.977 -6.838 1.00 0.00 O ATOM 1609 CB LYS A 105 -6.653 -1.668 -9.275 1.00 0.00 C ATOM 1610 CG LYS A 105 -7.410 -2.608 -10.215 1.00 0.00 C ATOM 1611 CD LYS A 105 -6.418 -3.299 -11.152 1.00 0.00 C ATOM 1612 CE LYS A 105 -7.024 -3.402 -12.554 1.00 0.00 C ATOM 1613 NZ LYS A 105 -6.480 -4.670 -13.116 1.00 0.00 N ATOM 0 H LYS A 105 -6.940 -3.071 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.856 -2.904 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.319 -1.310 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.307 -0.792 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.960 -3.351 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.144 -2.047 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.485 -2.737 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.177 -4.293 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.113 -3.424 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.745 -2.546 -13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.851 -4.811 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.442 -4.618 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.767 -5.468 -12.514 1.00 0.00 H new ATOM 1627 N PRO A 106 -3.457 -1.097 -8.568 1.00 0.00 N ATOM 1628 CA PRO A 106 -2.477 -0.149 -7.981 1.00 0.00 C ATOM 1629 C PRO A 106 -3.020 1.286 -8.010 1.00 0.00 C ATOM 1630 O PRO A 106 -3.692 1.723 -7.097 1.00 0.00 O ATOM 1631 CB PRO A 106 -1.260 -0.288 -8.890 1.00 0.00 C ATOM 1632 CG PRO A 106 -1.805 -0.772 -10.196 1.00 0.00 C ATOM 1633 CD PRO A 106 -3.034 -1.586 -9.885 1.00 0.00 C ATOM 0 HA PRO A 106 -2.253 -0.362 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.744 0.665 -9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.538 -0.993 -8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -2.053 0.068 -10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.066 -1.375 -10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -3.811 -1.438 -10.635 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.812 -2.653 -9.863 1.00 0.00 H new ATOM 1641 N PHE A 107 -2.726 2.025 -9.047 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.218 3.431 -9.125 1.00 0.00 C ATOM 1643 C PHE A 107 -4.196 3.595 -10.289 1.00 0.00 C ATOM 1644 O PHE A 107 -3.800 3.722 -11.430 1.00 0.00 O ATOM 1645 CB PHE A 107 -1.966 4.275 -9.365 1.00 0.00 C ATOM 1646 CG PHE A 107 -1.427 4.768 -8.044 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -0.527 3.980 -7.318 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.828 6.014 -7.546 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -0.027 4.437 -6.093 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.328 6.471 -6.321 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.427 5.682 -5.595 1.00 0.00 C ATOM 0 H PHE A 107 -2.167 1.716 -9.842 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.750 3.727 -8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.209 3.683 -9.880 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.203 5.120 -10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.218 3.019 -7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.523 6.622 -8.107 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.667 3.829 -5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.637 7.432 -5.936 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.041 6.035 -4.650 1.00 0.00 H new ATOM 1661 N LEU A 108 -5.470 3.599 -10.007 1.00 0.00 N ATOM 1662 CA LEU A 108 -6.480 3.762 -11.094 1.00 0.00 C ATOM 1663 C LEU A 108 -7.893 3.706 -10.499 1.00 0.00 C ATOM 1664 O LEU A 108 -8.134 4.215 -9.422 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.236 2.588 -12.048 1.00 0.00 C ATOM 1666 CG LEU A 108 -6.333 1.271 -11.278 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -7.149 0.265 -12.090 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -4.927 0.714 -11.044 1.00 0.00 C ATOM 0 H LEU A 108 -5.857 3.496 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.391 4.717 -11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.969 2.604 -12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.253 2.680 -12.509 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.821 1.446 -10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.218 -0.674 -11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.150 0.661 -12.260 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.661 0.090 -13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.994 -0.225 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.441 0.539 -12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.343 1.431 -10.466 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.827 3.097 -11.183 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.215 3.021 -10.639 1.00 0.00 C ATOM 1682 C ASP A 109 -10.163 2.685 -9.142 1.00 0.00 C ATOM 1683 O ASP A 109 -11.044 3.039 -8.384 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.907 1.916 -11.467 1.00 0.00 C ATOM 1685 CG ASP A 109 -11.243 0.695 -10.599 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -10.355 -0.110 -10.375 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -12.382 0.590 -10.174 1.00 0.00 O ATOM 0 H ASP A 109 -8.689 2.651 -12.090 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.763 3.960 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.820 2.311 -11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.257 1.613 -12.288 1.00 0.00 H new ATOM 1692 N SER A 110 -9.132 2.010 -8.715 1.00 0.00 N ATOM 1693 CA SER A 110 -9.015 1.658 -7.273 1.00 0.00 C ATOM 1694 C SER A 110 -8.549 2.878 -6.475 1.00 0.00 C ATOM 1695 O SER A 110 -9.123 3.227 -5.464 1.00 0.00 O ATOM 1696 CB SER A 110 -7.962 0.555 -7.224 1.00 0.00 C ATOM 1697 OG SER A 110 -8.597 -0.692 -6.974 1.00 0.00 O ATOM 0 H SER A 110 -8.364 1.687 -9.304 1.00 0.00 H new ATOM 0 HA SER A 110 -9.964 1.336 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.416 0.515 -8.167 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.233 0.768 -6.442 1.00 0.00 H new ATOM 0 HG SER A 110 -9.154 -0.935 -7.743 1.00 0.00 H new ATOM 1703 N GLU A 111 -7.513 3.533 -6.927 1.00 0.00 N ATOM 1704 CA GLU A 111 -7.016 4.735 -6.196 1.00 0.00 C ATOM 1705 C GLU A 111 -8.194 5.628 -5.810 1.00 0.00 C ATOM 1706 O GLU A 111 -8.140 6.367 -4.846 1.00 0.00 O ATOM 1707 CB GLU A 111 -6.098 5.451 -7.185 1.00 0.00 C ATOM 1708 CG GLU A 111 -5.659 6.789 -6.590 1.00 0.00 C ATOM 1709 CD GLU A 111 -5.482 7.815 -7.711 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -5.582 7.427 -8.863 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -5.250 8.971 -7.398 1.00 0.00 O ATOM 0 H GLU A 111 -6.991 3.289 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.492 4.477 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.227 4.833 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.618 5.613 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.402 7.142 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.723 6.666 -6.044 1.00 0.00 H new ATOM 1718 N LEU A 112 -9.265 5.551 -6.549 1.00 0.00 N ATOM 1719 CA LEU A 112 -10.459 6.381 -6.216 1.00 0.00 C ATOM 1720 C LEU A 112 -10.959 5.975 -4.836 1.00 0.00 C ATOM 1721 O LEU A 112 -10.952 6.754 -3.903 1.00 0.00 O ATOM 1722 CB LEU A 112 -11.509 6.053 -7.283 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.850 5.948 -8.661 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.923 6.045 -9.746 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.840 7.087 -8.842 1.00 0.00 C ATOM 0 H LEU A 112 -9.367 4.951 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.240 7.449 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -12.006 5.115 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.277 6.826 -7.297 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.333 4.992 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.455 5.970 -10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.640 5.233 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.440 7.001 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.374 7.007 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.353 8.045 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.073 7.020 -8.070 1.00 0.00 H new ATOM 1737 N GLU A 113 -11.366 4.744 -4.694 1.00 0.00 N ATOM 1738 CA GLU A 113 -11.838 4.266 -3.369 1.00 0.00 C ATOM 1739 C GLU A 113 -10.763 4.551 -2.332 1.00 0.00 C ATOM 1740 O GLU A 113 -11.022 4.598 -1.147 1.00 0.00 O ATOM 1741 CB GLU A 113 -12.014 2.754 -3.529 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.912 2.476 -4.733 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.840 1.302 -4.420 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.337 0.204 -4.246 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -15.039 1.519 -4.359 1.00 0.00 O ATOM 0 H GLU A 113 -11.391 4.049 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.760 4.751 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.044 2.276 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.454 2.330 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.499 3.362 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.304 2.249 -5.608 1.00 0.00 H new ATOM 1752 N ALA A 114 -9.549 4.716 -2.780 1.00 0.00 N ATOM 1753 CA ALA A 114 -8.433 4.965 -1.830 1.00 0.00 C ATOM 1754 C ALA A 114 -8.452 6.390 -1.286 1.00 0.00 C ATOM 1755 O ALA A 114 -7.925 6.656 -0.225 1.00 0.00 O ATOM 1756 CB ALA A 114 -7.159 4.735 -2.642 1.00 0.00 C ATOM 0 H ALA A 114 -9.283 4.689 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.508 4.309 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.288 4.900 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.146 3.711 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.133 5.429 -3.482 1.00 0.00 H new ATOM 1762 N VAL A 115 -9.024 7.315 -1.995 1.00 0.00 N ATOM 1763 CA VAL A 115 -9.021 8.713 -1.482 1.00 0.00 C ATOM 1764 C VAL A 115 -10.433 9.170 -1.098 1.00 0.00 C ATOM 1765 O VAL A 115 -10.613 9.916 -0.157 1.00 0.00 O ATOM 1766 CB VAL A 115 -8.475 9.563 -2.635 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -7.987 10.907 -2.093 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -7.304 8.839 -3.305 1.00 0.00 C ATOM 0 H VAL A 115 -9.487 7.172 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.416 8.805 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 115 -9.269 9.725 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -7.599 11.511 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.817 11.431 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.197 10.739 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -6.920 9.448 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.513 8.673 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -7.644 7.880 -3.695 1.00 0.00 H new ATOM 1778 N LEU A 116 -11.433 8.743 -1.819 1.00 0.00 N ATOM 1779 CA LEU A 116 -12.823 9.174 -1.487 1.00 0.00 C ATOM 1780 C LEU A 116 -13.395 8.344 -0.334 1.00 0.00 C ATOM 1781 O LEU A 116 -14.059 8.875 0.525 1.00 0.00 O ATOM 1782 CB LEU A 116 -13.628 8.970 -2.777 1.00 0.00 C ATOM 1783 CG LEU A 116 -13.591 7.499 -3.195 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -14.899 6.823 -2.783 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -13.429 7.405 -4.716 1.00 0.00 C ATOM 0 H LEU A 116 -11.350 8.117 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.859 10.211 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.660 9.287 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.218 9.592 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.752 7.002 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.876 5.774 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -15.019 6.892 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -15.736 7.320 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.402 6.357 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -14.269 7.900 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.500 7.891 -5.014 1.00 0.00 H new