USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 THR OG1 : rot -164:sc= -1.65 USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= -3.22! USER MOD Set 2.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 GLN : amide:sc= -2.81 K(o=-2.8,f=-6.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-3.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 40 SER OG : rot -12:sc= 0.563 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.415 K(o=0.41,f=-0.22) USER MOD Single : A 68 SER OG : rot -34:sc= -7.63! USER MOD Single : A 69 TYR OH : rot 30:sc= -1.77! USER MOD Single : A 79 ASN : amide:sc= -17.6! C(o=-18!,f=-19!) USER MOD Single : A 90 SER OG : rot -138:sc= -1.52! USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= -0.491 (180deg=-2.59!) USER MOD Single : A 95 THR OG1 : rot -153:sc= -1.48! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 103:sc= -0.392! USER MOD Single : A 99 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.61) USER MOD Single : A 104 THR OG1 : rot -53:sc= -1.07! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 157:sc= 0.0981 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 5.981 13.105 7.080 1.00 0.00 N ATOM 109 CA ARG A 8 5.463 12.477 5.842 1.00 0.00 C ATOM 110 C ARG A 8 5.106 11.031 6.155 1.00 0.00 C ATOM 111 O ARG A 8 5.796 10.362 6.898 1.00 0.00 O ATOM 112 CB ARG A 8 6.607 12.553 4.830 1.00 0.00 C ATOM 113 CG ARG A 8 6.501 13.857 4.037 1.00 0.00 C ATOM 114 CD ARG A 8 5.255 13.810 3.151 1.00 0.00 C ATOM 115 NE ARG A 8 4.828 15.229 3.014 1.00 0.00 N ATOM 116 CZ ARG A 8 3.592 15.564 3.265 1.00 0.00 C ATOM 117 NH1 ARG A 8 2.613 14.891 2.725 1.00 0.00 N ATOM 118 NH2 ARG A 8 3.337 16.571 4.055 1.00 0.00 N ATOM 0 HA ARG A 8 4.572 12.969 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.566 12.505 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.566 11.699 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.445 14.707 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.392 13.997 3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.478 13.369 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.471 13.204 3.604 1.00 0.00 H new ATOM 0 HE ARG A 8 5.501 15.939 2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.814 14.104 2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.646 15.152 2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.104 17.096 4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.371 16.833 4.251 1.00 0.00 H new ATOM 132 N LEU A 9 4.037 10.536 5.612 1.00 0.00 N ATOM 133 CA LEU A 9 3.666 9.139 5.907 1.00 0.00 C ATOM 134 C LEU A 9 4.485 8.210 5.025 1.00 0.00 C ATOM 135 O LEU A 9 4.946 8.593 3.969 1.00 0.00 O ATOM 136 CB LEU A 9 2.176 9.029 5.587 1.00 0.00 C ATOM 137 CG LEU A 9 1.393 10.026 6.441 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.841 11.140 5.547 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.233 9.303 7.128 1.00 0.00 C ATOM 0 H LEU A 9 3.410 11.036 4.982 1.00 0.00 H new ATOM 0 HA LEU A 9 3.860 8.863 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.005 9.228 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.826 8.015 5.781 1.00 0.00 H new ATOM 0 HG LEU A 9 2.052 10.458 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.282 11.851 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.666 11.654 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.181 10.709 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.327 10.012 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.426 8.873 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.625 8.508 7.763 1.00 0.00 H new ATOM 151 N ARG A 10 4.684 6.998 5.443 1.00 0.00 N ATOM 152 CA ARG A 10 5.490 6.075 4.604 1.00 0.00 C ATOM 153 C ARG A 10 4.620 4.905 4.136 1.00 0.00 C ATOM 154 O ARG A 10 3.824 4.364 4.882 1.00 0.00 O ATOM 155 CB ARG A 10 6.677 5.582 5.466 1.00 0.00 C ATOM 156 CG ARG A 10 6.531 5.996 6.942 1.00 0.00 C ATOM 157 CD ARG A 10 6.887 7.481 7.105 1.00 0.00 C ATOM 158 NE ARG A 10 6.770 7.750 8.565 1.00 0.00 N ATOM 159 CZ ARG A 10 7.688 8.450 9.174 1.00 0.00 C ATOM 160 NH1 ARG A 10 8.942 8.108 9.074 1.00 0.00 N ATOM 161 NH2 ARG A 10 7.353 9.494 9.882 1.00 0.00 N ATOM 0 H ARG A 10 4.330 6.608 6.317 1.00 0.00 H new ATOM 0 HA ARG A 10 5.865 6.578 3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.747 4.496 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.607 5.986 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.510 5.819 7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.184 5.386 7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.895 7.686 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.210 8.114 6.532 1.00 0.00 H new ATOM 0 HE ARG A 10 5.973 7.388 9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.206 7.293 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.659 8.655 9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.372 9.764 9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.072 10.040 10.357 1.00 0.00 H new ATOM 175 N VAL A 11 4.747 4.523 2.898 1.00 0.00 N ATOM 176 CA VAL A 11 3.904 3.409 2.380 1.00 0.00 C ATOM 177 C VAL A 11 4.762 2.239 1.898 1.00 0.00 C ATOM 178 O VAL A 11 5.382 2.298 0.854 1.00 0.00 O ATOM 179 CB VAL A 11 3.139 4.024 1.207 1.00 0.00 C ATOM 180 CG1 VAL A 11 4.132 4.673 0.241 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.353 2.932 0.472 1.00 0.00 C ATOM 0 H VAL A 11 5.395 4.931 2.224 1.00 0.00 H new ATOM 0 HA VAL A 11 3.247 3.006 3.150 1.00 0.00 H new ATOM 0 HB VAL A 11 2.445 4.776 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.590 5.113 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.690 5.452 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.824 3.918 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.809 3.374 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.044 2.177 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.646 2.467 1.159 1.00 0.00 H new ATOM 191 N LEU A 12 4.778 1.161 2.633 1.00 0.00 N ATOM 192 CA LEU A 12 5.569 -0.017 2.194 1.00 0.00 C ATOM 193 C LEU A 12 4.793 -0.742 1.094 1.00 0.00 C ATOM 194 O LEU A 12 3.909 -1.532 1.358 1.00 0.00 O ATOM 195 CB LEU A 12 5.709 -0.889 3.443 1.00 0.00 C ATOM 196 CG LEU A 12 6.721 -0.246 4.395 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.647 -0.923 5.764 1.00 0.00 C ATOM 198 CD2 LEU A 12 8.130 -0.414 3.829 1.00 0.00 C ATOM 0 H LEU A 12 4.279 1.048 3.515 1.00 0.00 H new ATOM 0 HA LEU A 12 6.547 0.242 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.743 -0.995 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.037 -1.891 3.167 1.00 0.00 H new ATOM 0 HG LEU A 12 6.489 0.814 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.369 -0.462 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.643 -0.807 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.876 -1.984 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.851 0.044 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.355 -1.475 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.190 0.070 2.854 1.00 0.00 H new ATOM 210 N VAL A 13 5.101 -0.455 -0.142 1.00 0.00 N ATOM 211 CA VAL A 13 4.363 -1.103 -1.266 1.00 0.00 C ATOM 212 C VAL A 13 5.134 -2.305 -1.800 1.00 0.00 C ATOM 213 O VAL A 13 6.322 -2.442 -1.590 1.00 0.00 O ATOM 214 CB VAL A 13 4.211 -0.040 -2.361 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.810 -0.142 -2.959 1.00 0.00 C ATOM 216 CG2 VAL A 13 4.402 1.372 -1.792 1.00 0.00 C ATOM 0 H VAL A 13 5.831 0.200 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 13 3.392 -1.468 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 13 4.972 -0.216 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.692 0.610 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.669 -1.134 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.068 0.025 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.289 2.105 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.655 1.558 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.399 1.458 -1.359 1.00 0.00 H new ATOM 226 N VAL A 14 4.448 -3.185 -2.473 1.00 0.00 N ATOM 227 CA VAL A 14 5.108 -4.403 -3.009 1.00 0.00 C ATOM 228 C VAL A 14 4.194 -5.082 -4.049 1.00 0.00 C ATOM 229 O VAL A 14 2.976 -5.050 -3.954 1.00 0.00 O ATOM 230 CB VAL A 14 5.303 -5.275 -1.763 1.00 0.00 C ATOM 231 CG1 VAL A 14 5.164 -6.760 -2.105 1.00 0.00 C ATOM 232 CG2 VAL A 14 6.689 -5.017 -1.159 1.00 0.00 C ATOM 0 H VAL A 14 3.451 -3.110 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 14 6.048 -4.208 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 14 4.531 -5.012 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.307 -7.356 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.170 -6.948 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.916 -7.035 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.822 -5.639 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.457 -5.261 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.775 -3.967 -0.880 1.00 0.00 H new ATOM 242 N GLU A 15 4.783 -5.704 -5.032 1.00 0.00 N ATOM 243 CA GLU A 15 3.993 -6.394 -6.085 1.00 0.00 C ATOM 244 C GLU A 15 4.897 -7.384 -6.810 1.00 0.00 C ATOM 245 O GLU A 15 6.105 -7.261 -6.777 1.00 0.00 O ATOM 246 CB GLU A 15 3.545 -5.294 -7.031 1.00 0.00 C ATOM 247 CG GLU A 15 2.312 -5.755 -7.809 1.00 0.00 C ATOM 248 CD GLU A 15 1.170 -4.763 -7.589 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.675 -4.699 -6.476 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.810 -4.083 -8.536 1.00 0.00 O ATOM 0 H GLU A 15 5.794 -5.763 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 15 3.143 -6.947 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.315 -4.389 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.351 -5.044 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.545 -5.828 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.012 -6.750 -7.480 1.00 0.00 H new ATOM 257 N ASP A 16 4.322 -8.372 -7.432 1.00 0.00 N ATOM 258 CA ASP A 16 5.128 -9.413 -8.138 1.00 0.00 C ATOM 259 C ASP A 16 6.491 -8.888 -8.617 1.00 0.00 C ATOM 260 O ASP A 16 7.522 -9.306 -8.129 1.00 0.00 O ATOM 261 CB ASP A 16 4.266 -9.843 -9.323 1.00 0.00 C ATOM 262 CG ASP A 16 4.179 -11.369 -9.361 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.033 -11.977 -9.985 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.259 -11.905 -8.764 1.00 0.00 O ATOM 0 H ASP A 16 3.312 -8.508 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 16 5.365 -10.239 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.268 -9.413 -9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.694 -9.469 -10.253 1.00 0.00 H new ATOM 269 N GLU A 17 6.521 -8.001 -9.576 1.00 0.00 N ATOM 270 CA GLU A 17 7.845 -7.508 -10.065 1.00 0.00 C ATOM 271 C GLU A 17 7.936 -5.975 -10.038 1.00 0.00 C ATOM 272 O GLU A 17 7.235 -5.309 -9.303 1.00 0.00 O ATOM 273 CB GLU A 17 7.941 -8.021 -11.498 1.00 0.00 C ATOM 274 CG GLU A 17 7.959 -9.551 -11.498 1.00 0.00 C ATOM 275 CD GLU A 17 9.304 -10.045 -12.035 1.00 0.00 C ATOM 276 OE1 GLU A 17 10.321 -9.568 -11.560 1.00 0.00 O ATOM 277 OE2 GLU A 17 9.294 -10.893 -12.913 1.00 0.00 O ATOM 0 H GLU A 17 5.703 -7.601 -10.036 1.00 0.00 H new ATOM 0 HA GLU A 17 8.658 -7.862 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.095 -7.658 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.844 -7.637 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.798 -9.927 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.146 -9.935 -12.114 1.00 0.00 H new ATOM 284 N SER A 18 8.824 -5.423 -10.826 1.00 0.00 N ATOM 285 CA SER A 18 9.016 -3.941 -10.853 1.00 0.00 C ATOM 286 C SER A 18 7.783 -3.213 -11.407 1.00 0.00 C ATOM 287 O SER A 18 7.742 -1.998 -11.434 1.00 0.00 O ATOM 288 CB SER A 18 10.222 -3.728 -11.769 1.00 0.00 C ATOM 289 OG SER A 18 11.177 -2.909 -11.107 1.00 0.00 O ATOM 0 H SER A 18 9.431 -5.943 -11.459 1.00 0.00 H new ATOM 0 HA SER A 18 9.168 -3.539 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.668 -4.687 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.907 -3.258 -12.701 1.00 0.00 H new ATOM 0 HG SER A 18 11.952 -2.772 -11.691 1.00 0.00 H new ATOM 295 N MET A 19 6.773 -3.924 -11.830 1.00 0.00 N ATOM 296 CA MET A 19 5.559 -3.227 -12.352 1.00 0.00 C ATOM 297 C MET A 19 5.111 -2.189 -11.324 1.00 0.00 C ATOM 298 O MET A 19 4.437 -1.227 -11.631 1.00 0.00 O ATOM 299 CB MET A 19 4.503 -4.321 -12.503 1.00 0.00 C ATOM 300 CG MET A 19 3.538 -3.955 -13.632 1.00 0.00 C ATOM 301 SD MET A 19 3.005 -5.463 -14.478 1.00 0.00 S ATOM 302 CE MET A 19 2.198 -4.658 -15.883 1.00 0.00 C ATOM 0 H MET A 19 6.733 -4.943 -11.838 1.00 0.00 H new ATOM 0 HA MET A 19 5.735 -2.712 -13.297 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.983 -5.276 -12.717 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.955 -4.442 -11.569 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.674 -3.426 -13.230 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.025 -3.281 -14.337 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.788 -5.416 -16.550 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.393 -4.018 -15.522 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.927 -4.054 -16.424 1.00 0.00 H new ATOM 312 N ILE A 20 5.498 -2.397 -10.099 1.00 0.00 N ATOM 313 CA ILE A 20 5.133 -1.459 -9.004 1.00 0.00 C ATOM 314 C ILE A 20 6.340 -0.593 -8.656 1.00 0.00 C ATOM 315 O ILE A 20 6.491 -0.134 -7.542 1.00 0.00 O ATOM 316 CB ILE A 20 4.794 -2.382 -7.844 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.518 -1.566 -6.581 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.974 -3.307 -7.586 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.329 -2.167 -5.821 1.00 0.00 C ATOM 0 H ILE A 20 6.063 -3.193 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 20 4.315 -0.785 -9.260 1.00 0.00 H new ATOM 0 HB ILE A 20 3.906 -2.961 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.402 -1.557 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.306 -0.530 -6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.740 -3.973 -6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.175 -3.898 -8.479 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.854 -2.714 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.138 -1.581 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.445 -2.153 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.558 -3.195 -5.541 1.00 0.00 H new ATOM 331 N ALA A 21 7.212 -0.390 -9.600 1.00 0.00 N ATOM 332 CA ALA A 21 8.428 0.423 -9.332 1.00 0.00 C ATOM 333 C ALA A 21 8.371 1.748 -10.104 1.00 0.00 C ATOM 334 O ALA A 21 8.052 2.783 -9.553 1.00 0.00 O ATOM 335 CB ALA A 21 9.574 -0.460 -9.815 1.00 0.00 C ATOM 0 H ALA A 21 7.135 -0.754 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 21 8.537 0.698 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.521 0.056 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.573 -1.395 -9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.447 -0.672 -10.877 1.00 0.00 H new ATOM 341 N MET A 22 8.654 1.736 -11.375 1.00 0.00 N ATOM 342 CA MET A 22 8.576 3.011 -12.144 1.00 0.00 C ATOM 343 C MET A 22 7.156 3.571 -12.021 1.00 0.00 C ATOM 344 O MET A 22 6.900 4.726 -12.298 1.00 0.00 O ATOM 345 CB MET A 22 8.887 2.628 -13.592 1.00 0.00 C ATOM 346 CG MET A 22 8.995 3.895 -14.440 1.00 0.00 C ATOM 347 SD MET A 22 8.040 3.689 -15.962 1.00 0.00 S ATOM 348 CE MET A 22 9.410 3.917 -17.120 1.00 0.00 C ATOM 0 H MET A 22 8.932 0.913 -11.910 1.00 0.00 H new ATOM 0 HA MET A 22 9.267 3.773 -11.783 1.00 0.00 H new ATOM 0 HB2 MET A 22 9.819 2.065 -13.639 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.103 1.980 -13.985 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.624 4.753 -13.879 1.00 0.00 H new ATOM 0 HG3 MET A 22 10.039 4.097 -14.678 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.041 3.829 -18.142 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.847 4.905 -16.976 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.168 3.155 -16.941 1.00 0.00 H new ATOM 358 N LEU A 23 6.234 2.742 -11.605 1.00 0.00 N ATOM 359 CA LEU A 23 4.819 3.180 -11.450 1.00 0.00 C ATOM 360 C LEU A 23 4.561 3.655 -10.011 1.00 0.00 C ATOM 361 O LEU A 23 3.565 4.287 -9.729 1.00 0.00 O ATOM 362 CB LEU A 23 4.020 1.908 -11.772 1.00 0.00 C ATOM 363 CG LEU A 23 2.578 2.003 -11.255 1.00 0.00 C ATOM 364 CD1 LEU A 23 2.549 1.746 -9.748 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.997 3.389 -11.557 1.00 0.00 C ATOM 0 H LEU A 23 6.407 1.766 -11.363 1.00 0.00 H new ATOM 0 HA LEU A 23 4.549 4.018 -12.092 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.011 1.746 -12.850 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.512 1.045 -11.324 1.00 0.00 H new ATOM 0 HG LEU A 23 1.973 1.250 -11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.523 1.815 -9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.940 0.750 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.163 2.490 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.974 3.443 -11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.602 4.152 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.001 3.559 -12.634 1.00 0.00 H new ATOM 377 N ILE A 24 5.442 3.350 -9.091 1.00 0.00 N ATOM 378 CA ILE A 24 5.211 3.783 -7.677 1.00 0.00 C ATOM 379 C ILE A 24 6.105 4.967 -7.295 1.00 0.00 C ATOM 380 O ILE A 24 5.685 5.866 -6.594 1.00 0.00 O ATOM 381 CB ILE A 24 5.544 2.558 -6.823 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.126 2.810 -5.377 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.044 2.271 -6.859 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.324 1.523 -4.577 1.00 0.00 C ATOM 0 H ILE A 24 6.302 2.826 -9.254 1.00 0.00 H new ATOM 0 HA ILE A 24 4.186 4.123 -7.530 1.00 0.00 H new ATOM 0 HB ILE A 24 5.004 1.701 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.720 3.617 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.083 3.124 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.262 1.396 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.353 2.080 -7.887 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.589 3.131 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.029 1.689 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.711 0.730 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.373 1.230 -4.613 1.00 0.00 H new ATOM 396 N GLU A 25 7.331 4.980 -7.735 1.00 0.00 N ATOM 397 CA GLU A 25 8.227 6.117 -7.374 1.00 0.00 C ATOM 398 C GLU A 25 7.765 7.392 -8.082 1.00 0.00 C ATOM 399 O GLU A 25 8.048 8.493 -7.650 1.00 0.00 O ATOM 400 CB GLU A 25 9.616 5.698 -7.850 1.00 0.00 C ATOM 401 CG GLU A 25 10.385 5.075 -6.681 1.00 0.00 C ATOM 402 CD GLU A 25 11.739 5.770 -6.534 1.00 0.00 C ATOM 403 OE1 GLU A 25 12.537 5.664 -7.450 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.954 6.398 -5.510 1.00 0.00 O ATOM 0 H GLU A 25 7.751 4.261 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 25 8.220 6.331 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.532 4.982 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.157 6.562 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.811 5.175 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.528 4.008 -6.853 1.00 0.00 H new ATOM 411 N ASP A 26 7.048 7.250 -9.164 1.00 0.00 N ATOM 412 CA ASP A 26 6.556 8.449 -9.898 1.00 0.00 C ATOM 413 C ASP A 26 5.345 9.043 -9.168 1.00 0.00 C ATOM 414 O ASP A 26 5.188 10.244 -9.080 1.00 0.00 O ATOM 415 CB ASP A 26 6.173 7.930 -11.290 1.00 0.00 C ATOM 416 CG ASP A 26 4.757 7.343 -11.264 1.00 0.00 C ATOM 417 OD1 ASP A 26 3.821 8.114 -11.126 1.00 0.00 O ATOM 418 OD2 ASP A 26 4.634 6.135 -11.380 1.00 0.00 O ATOM 0 H ASP A 26 6.782 6.353 -9.571 1.00 0.00 H new ATOM 0 HA ASP A 26 7.300 9.243 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.225 8.741 -12.016 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.884 7.169 -11.611 1.00 0.00 H new ATOM 423 N THR A 27 4.493 8.210 -8.632 1.00 0.00 N ATOM 424 CA THR A 27 3.309 8.733 -7.898 1.00 0.00 C ATOM 425 C THR A 27 3.778 9.504 -6.666 1.00 0.00 C ATOM 426 O THR A 27 3.495 10.676 -6.504 1.00 0.00 O ATOM 427 CB THR A 27 2.514 7.500 -7.488 1.00 0.00 C ATOM 428 OG1 THR A 27 2.798 6.430 -8.379 1.00 0.00 O ATOM 429 CG2 THR A 27 1.021 7.819 -7.525 1.00 0.00 C ATOM 0 H THR A 27 4.567 7.193 -8.672 1.00 0.00 H new ATOM 0 HA THR A 27 2.707 9.413 -8.501 1.00 0.00 H new ATOM 0 HB THR A 27 2.795 7.208 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.287 5.638 -8.112 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.453 6.936 -7.232 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.806 8.635 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.737 8.114 -8.535 1.00 0.00 H new ATOM 437 N LEU A 28 4.512 8.857 -5.804 1.00 0.00 N ATOM 438 CA LEU A 28 5.022 9.552 -4.592 1.00 0.00 C ATOM 439 C LEU A 28 5.651 10.882 -5.017 1.00 0.00 C ATOM 440 O LEU A 28 5.547 11.880 -4.333 1.00 0.00 O ATOM 441 CB LEU A 28 6.059 8.578 -4.001 1.00 0.00 C ATOM 442 CG LEU A 28 7.218 9.328 -3.322 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.168 9.897 -4.381 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.670 10.469 -2.460 1.00 0.00 C ATOM 0 H LEU A 28 4.780 7.876 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 28 4.254 9.792 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.573 7.925 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.452 7.940 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 28 7.764 8.629 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.985 10.426 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.572 9.083 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.623 10.588 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.497 10.994 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.113 11.164 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.009 10.062 -1.695 1.00 0.00 H new ATOM 456 N CYS A 29 6.293 10.898 -6.152 1.00 0.00 N ATOM 457 CA CYS A 29 6.923 12.156 -6.638 1.00 0.00 C ATOM 458 C CYS A 29 5.931 13.317 -6.535 1.00 0.00 C ATOM 459 O CYS A 29 6.312 14.468 -6.452 1.00 0.00 O ATOM 460 CB CYS A 29 7.269 11.886 -8.104 1.00 0.00 C ATOM 461 SG CYS A 29 8.433 13.143 -8.690 1.00 0.00 S ATOM 0 H CYS A 29 6.408 10.091 -6.765 1.00 0.00 H new ATOM 0 HA CYS A 29 7.801 12.429 -6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.706 10.893 -8.209 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.364 11.902 -8.711 1.00 0.00 H new ATOM 0 HG CYS A 29 8.729 12.913 -9.935 1.00 0.00 H new ATOM 467 N GLU A 30 4.659 13.024 -6.556 1.00 0.00 N ATOM 468 CA GLU A 30 3.647 14.107 -6.478 1.00 0.00 C ATOM 469 C GLU A 30 3.156 14.308 -5.041 1.00 0.00 C ATOM 470 O GLU A 30 2.925 15.421 -4.612 1.00 0.00 O ATOM 471 CB GLU A 30 2.500 13.641 -7.374 1.00 0.00 C ATOM 472 CG GLU A 30 2.178 14.735 -8.394 1.00 0.00 C ATOM 473 CD GLU A 30 1.470 14.120 -9.604 1.00 0.00 C ATOM 474 OE1 GLU A 30 0.770 13.138 -9.421 1.00 0.00 O ATOM 475 OE2 GLU A 30 1.640 14.644 -10.693 1.00 0.00 O ATOM 0 H GLU A 30 4.280 12.079 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 30 4.060 15.065 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.775 12.719 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.619 13.419 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.545 15.496 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.095 15.232 -8.711 1.00 0.00 H new ATOM 482 N LEU A 31 2.978 13.250 -4.295 1.00 0.00 N ATOM 483 CA LEU A 31 2.484 13.413 -2.895 1.00 0.00 C ATOM 484 C LEU A 31 3.646 13.681 -1.932 1.00 0.00 C ATOM 485 O LEU A 31 3.672 14.684 -1.248 1.00 0.00 O ATOM 486 CB LEU A 31 1.804 12.087 -2.552 1.00 0.00 C ATOM 487 CG LEU A 31 0.491 11.969 -3.326 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.634 10.909 -4.418 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.630 11.564 -2.363 1.00 0.00 C ATOM 0 H LEU A 31 3.151 12.289 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 31 1.803 14.260 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.461 11.254 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.612 12.031 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 31 0.250 12.928 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.303 10.826 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.433 11.196 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.874 9.948 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.568 11.479 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.388 10.604 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.732 12.320 -1.585 1.00 0.00 H new ATOM 501 N GLY A 32 4.609 12.800 -1.871 1.00 0.00 N ATOM 502 CA GLY A 32 5.760 13.024 -0.948 1.00 0.00 C ATOM 503 C GLY A 32 5.917 11.822 -0.013 1.00 0.00 C ATOM 504 O GLY A 32 7.011 11.512 0.413 1.00 0.00 O ATOM 0 H GLY A 32 4.649 11.939 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.675 13.172 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.599 13.931 -0.365 1.00 0.00 H new ATOM 508 N HIS A 33 4.826 11.157 0.305 1.00 0.00 N ATOM 509 CA HIS A 33 4.863 9.962 1.216 1.00 0.00 C ATOM 510 C HIS A 33 6.274 9.381 1.345 1.00 0.00 C ATOM 511 O HIS A 33 6.854 8.912 0.386 1.00 0.00 O ATOM 512 CB HIS A 33 3.938 8.942 0.552 1.00 0.00 C ATOM 513 CG HIS A 33 2.558 9.072 1.128 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.436 8.580 0.480 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.104 9.636 2.290 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.370 8.857 1.251 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.721 9.501 2.368 1.00 0.00 N ATOM 0 H HIS A 33 3.895 11.397 -0.035 1.00 0.00 H new ATOM 0 HA HIS A 33 4.555 10.228 2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.911 9.106 -0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.317 7.933 0.712 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.422 8.096 -0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.725 10.113 3.034 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.646 8.591 0.998 1.00 0.00 H new ATOM 525 N GLU A 34 6.828 9.407 2.525 1.00 0.00 N ATOM 526 CA GLU A 34 8.198 8.856 2.719 1.00 0.00 C ATOM 527 C GLU A 34 8.320 7.493 2.030 1.00 0.00 C ATOM 528 O GLU A 34 7.855 6.491 2.536 1.00 0.00 O ATOM 529 CB GLU A 34 8.350 8.714 4.235 1.00 0.00 C ATOM 530 CG GLU A 34 9.707 9.269 4.670 1.00 0.00 C ATOM 531 CD GLU A 34 10.272 8.402 5.795 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.168 7.191 5.692 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.798 8.963 6.742 1.00 0.00 O ATOM 0 H GLU A 34 6.390 9.787 3.365 1.00 0.00 H new ATOM 0 HA GLU A 34 8.971 9.495 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.548 9.249 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.266 7.666 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.395 9.282 3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.599 10.299 5.009 1.00 0.00 H new ATOM 540 N VAL A 35 8.941 7.454 0.878 1.00 0.00 N ATOM 541 CA VAL A 35 9.103 6.163 0.140 1.00 0.00 C ATOM 542 C VAL A 35 9.359 5.019 1.123 1.00 0.00 C ATOM 543 O VAL A 35 9.905 5.219 2.190 1.00 0.00 O ATOM 544 CB VAL A 35 10.313 6.385 -0.772 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.504 6.868 0.058 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.677 5.073 -1.471 1.00 0.00 C ATOM 0 H VAL A 35 9.346 8.267 0.413 1.00 0.00 H new ATOM 0 HA VAL A 35 8.213 5.890 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 35 10.065 7.138 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.363 7.025 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.247 7.805 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.752 6.118 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.538 5.233 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.921 4.318 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.831 4.732 -2.068 1.00 0.00 H new ATOM 556 N ALA A 36 8.953 3.824 0.787 1.00 0.00 N ATOM 557 CA ALA A 36 9.163 2.691 1.723 1.00 0.00 C ATOM 558 C ALA A 36 9.476 1.393 0.971 1.00 0.00 C ATOM 559 O ALA A 36 10.611 0.962 0.917 1.00 0.00 O ATOM 560 CB ALA A 36 7.846 2.569 2.488 1.00 0.00 C ATOM 0 H ALA A 36 8.488 3.588 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 36 10.013 2.865 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.916 1.751 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.646 3.500 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.035 2.369 1.787 1.00 0.00 H new ATOM 566 N ALA A 37 8.487 0.749 0.407 1.00 0.00 N ATOM 567 CA ALA A 37 8.765 -0.531 -0.310 1.00 0.00 C ATOM 568 C ALA A 37 8.258 -0.483 -1.753 1.00 0.00 C ATOM 569 O ALA A 37 7.256 0.134 -2.058 1.00 0.00 O ATOM 570 CB ALA A 37 8.007 -1.597 0.481 1.00 0.00 C ATOM 0 H ALA A 37 7.512 1.049 0.411 1.00 0.00 H new ATOM 0 HA ALA A 37 9.835 -0.733 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.160 -2.572 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.377 -1.621 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.943 -1.360 0.484 1.00 0.00 H new ATOM 576 N THR A 38 8.949 -1.148 -2.638 1.00 0.00 N ATOM 577 CA THR A 38 8.528 -1.174 -4.067 1.00 0.00 C ATOM 578 C THR A 38 8.860 -2.545 -4.666 1.00 0.00 C ATOM 579 O THR A 38 10.003 -2.958 -4.672 1.00 0.00 O ATOM 580 CB THR A 38 9.341 -0.067 -4.743 1.00 0.00 C ATOM 581 OG1 THR A 38 8.734 1.191 -4.478 1.00 0.00 O ATOM 582 CG2 THR A 38 9.385 -0.304 -6.253 1.00 0.00 C ATOM 0 H THR A 38 9.795 -1.679 -2.430 1.00 0.00 H new ATOM 0 HA THR A 38 7.458 -1.014 -4.199 1.00 0.00 H new ATOM 0 HB THR A 38 10.358 -0.074 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.253 1.902 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.965 0.487 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.851 -1.268 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.371 -0.300 -6.652 1.00 0.00 H new ATOM 590 N ALA A 39 7.854 -3.252 -5.137 1.00 0.00 N ATOM 591 CA ALA A 39 8.048 -4.625 -5.724 1.00 0.00 C ATOM 592 C ALA A 39 7.889 -5.653 -4.621 1.00 0.00 C ATOM 593 O ALA A 39 7.811 -5.315 -3.464 1.00 0.00 O ATOM 594 CB ALA A 39 9.447 -4.680 -6.328 1.00 0.00 C ATOM 0 H ALA A 39 6.887 -2.929 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 39 7.312 -4.838 -6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.617 -5.665 -6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.538 -3.921 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.187 -4.494 -5.550 1.00 0.00 H new ATOM 600 N SER A 40 7.778 -6.901 -4.954 1.00 0.00 N ATOM 601 CA SER A 40 7.566 -7.894 -3.873 1.00 0.00 C ATOM 602 C SER A 40 8.868 -8.546 -3.433 1.00 0.00 C ATOM 603 O SER A 40 9.631 -9.065 -4.223 1.00 0.00 O ATOM 604 CB SER A 40 6.593 -8.916 -4.439 1.00 0.00 C ATOM 605 OG SER A 40 7.310 -9.918 -5.148 1.00 0.00 O ATOM 0 H SER A 40 7.823 -7.272 -5.903 1.00 0.00 H new ATOM 0 HA SER A 40 7.170 -7.418 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.017 -9.369 -3.633 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.881 -8.426 -5.103 1.00 0.00 H new ATOM 0 HG SER A 40 8.236 -9.626 -5.279 1.00 0.00 H new ATOM 611 N ARG A 41 9.105 -8.519 -2.153 1.00 0.00 N ATOM 612 CA ARG A 41 10.329 -9.124 -1.587 1.00 0.00 C ATOM 613 C ARG A 41 9.991 -9.745 -0.228 1.00 0.00 C ATOM 614 O ARG A 41 9.416 -9.107 0.632 1.00 0.00 O ATOM 615 CB ARG A 41 11.306 -7.960 -1.443 1.00 0.00 C ATOM 616 CG ARG A 41 12.739 -8.491 -1.450 1.00 0.00 C ATOM 617 CD ARG A 41 12.955 -9.357 -2.694 1.00 0.00 C ATOM 618 NE ARG A 41 14.314 -9.002 -3.185 1.00 0.00 N ATOM 619 CZ ARG A 41 14.532 -8.878 -4.467 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.342 -9.897 -5.261 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.935 -7.737 -4.956 1.00 0.00 N ATOM 0 H ARG A 41 8.485 -8.092 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 41 10.751 -9.916 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.166 -7.251 -2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.111 -7.421 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.446 -7.661 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.926 -9.076 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.888 -10.418 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.197 -9.155 -3.451 1.00 0.00 H new ATOM 0 HE ARG A 41 15.075 -8.856 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.024 -10.788 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.512 -9.802 -6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.080 -6.940 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.105 -7.643 -5.957 1.00 0.00 H new ATOM 635 N MET A 42 10.316 -10.992 -0.039 1.00 0.00 N ATOM 636 CA MET A 42 9.986 -11.668 1.248 1.00 0.00 C ATOM 637 C MET A 42 10.723 -11.021 2.428 1.00 0.00 C ATOM 638 O MET A 42 10.222 -10.988 3.535 1.00 0.00 O ATOM 639 CB MET A 42 10.443 -13.112 1.052 1.00 0.00 C ATOM 640 CG MET A 42 9.733 -13.710 -0.167 1.00 0.00 C ATOM 641 SD MET A 42 10.261 -15.427 -0.388 1.00 0.00 S ATOM 642 CE MET A 42 8.625 -16.189 -0.262 1.00 0.00 C ATOM 0 H MET A 42 10.798 -11.576 -0.723 1.00 0.00 H new ATOM 0 HA MET A 42 8.924 -11.593 1.484 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.523 -13.147 0.911 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.219 -13.700 1.942 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.653 -13.665 -0.031 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.966 -13.129 -1.059 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.717 -17.269 -0.372 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.191 -15.959 0.711 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.980 -15.798 -1.049 1.00 0.00 H new ATOM 652 N GLN A 43 11.904 -10.512 2.211 1.00 0.00 N ATOM 653 CA GLN A 43 12.656 -9.879 3.334 1.00 0.00 C ATOM 654 C GLN A 43 12.029 -8.530 3.701 1.00 0.00 C ATOM 655 O GLN A 43 11.682 -8.286 4.840 1.00 0.00 O ATOM 656 CB GLN A 43 14.078 -9.684 2.804 1.00 0.00 C ATOM 657 CG GLN A 43 14.979 -9.182 3.935 1.00 0.00 C ATOM 658 CD GLN A 43 16.102 -8.320 3.353 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.096 -7.115 3.502 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.073 -8.891 2.692 1.00 0.00 N ATOM 0 H GLN A 43 12.381 -10.506 1.309 1.00 0.00 H new ATOM 0 HA GLN A 43 12.639 -10.491 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.462 -10.624 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.076 -8.969 1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.394 -8.602 4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.400 -10.027 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.078 -9.903 2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.826 -8.325 2.301 1.00 0.00 H new ATOM 669 N GLU A 44 11.882 -7.653 2.746 1.00 0.00 N ATOM 670 CA GLU A 44 11.281 -6.321 3.041 1.00 0.00 C ATOM 671 C GLU A 44 9.845 -6.483 3.550 1.00 0.00 C ATOM 672 O GLU A 44 9.432 -5.829 4.486 1.00 0.00 O ATOM 673 CB GLU A 44 11.299 -5.575 1.709 1.00 0.00 C ATOM 674 CG GLU A 44 12.685 -4.969 1.481 1.00 0.00 C ATOM 675 CD GLU A 44 13.000 -4.968 -0.016 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.101 -5.258 -0.788 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.132 -4.678 -0.365 1.00 0.00 O ATOM 0 H GLU A 44 12.152 -7.801 1.774 1.00 0.00 H new ATOM 0 HA GLU A 44 11.829 -5.785 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.050 -6.256 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.543 -4.790 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.718 -3.952 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.438 -5.542 2.022 1.00 0.00 H new ATOM 684 N ALA A 45 9.080 -7.351 2.947 1.00 0.00 N ATOM 685 CA ALA A 45 7.678 -7.547 3.416 1.00 0.00 C ATOM 686 C ALA A 45 7.672 -7.737 4.933 1.00 0.00 C ATOM 687 O ALA A 45 6.984 -7.045 5.658 1.00 0.00 O ATOM 688 CB ALA A 45 7.195 -8.816 2.714 1.00 0.00 C ATOM 0 H ALA A 45 9.362 -7.929 2.156 1.00 0.00 H new ATOM 0 HA ALA A 45 7.036 -6.695 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.167 -9.027 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.240 -8.674 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.833 -9.653 2.997 1.00 0.00 H new ATOM 694 N LEU A 46 8.449 -8.664 5.417 1.00 0.00 N ATOM 695 CA LEU A 46 8.514 -8.902 6.885 1.00 0.00 C ATOM 696 C LEU A 46 8.707 -7.574 7.614 1.00 0.00 C ATOM 697 O LEU A 46 8.131 -7.327 8.655 1.00 0.00 O ATOM 698 CB LEU A 46 9.743 -9.796 7.062 1.00 0.00 C ATOM 699 CG LEU A 46 10.280 -9.680 8.490 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.907 -11.008 8.911 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.341 -8.578 8.544 1.00 0.00 C ATOM 0 H LEU A 46 9.046 -9.271 4.855 1.00 0.00 H new ATOM 0 HA LEU A 46 7.609 -9.357 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.482 -10.832 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.517 -9.508 6.350 1.00 0.00 H new ATOM 0 HG LEU A 46 9.462 -9.435 9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.289 -10.924 9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.154 -11.795 8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.726 -11.254 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.726 -8.493 9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.158 -8.826 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.896 -7.629 8.244 1.00 0.00 H new ATOM 713 N ASP A 47 9.527 -6.727 7.069 1.00 0.00 N ATOM 714 CA ASP A 47 9.788 -5.409 7.713 1.00 0.00 C ATOM 715 C ASP A 47 8.486 -4.626 7.895 1.00 0.00 C ATOM 716 O ASP A 47 8.223 -4.088 8.949 1.00 0.00 O ATOM 717 CB ASP A 47 10.720 -4.675 6.748 1.00 0.00 C ATOM 718 CG ASP A 47 12.060 -4.406 7.433 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.403 -5.154 8.334 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.721 -3.457 7.045 1.00 0.00 O ATOM 0 H ASP A 47 10.033 -6.889 6.198 1.00 0.00 H new ATOM 0 HA ASP A 47 10.226 -5.521 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.873 -5.273 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.266 -3.735 6.433 1.00 0.00 H new ATOM 725 N ILE A 48 7.672 -4.552 6.878 1.00 0.00 N ATOM 726 CA ILE A 48 6.392 -3.783 7.017 1.00 0.00 C ATOM 727 C ILE A 48 5.539 -4.402 8.130 1.00 0.00 C ATOM 728 O ILE A 48 4.806 -3.718 8.815 1.00 0.00 O ATOM 729 CB ILE A 48 5.665 -3.835 5.648 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.685 -5.020 5.599 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.676 -3.956 4.503 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.264 -5.292 4.152 1.00 0.00 C ATOM 0 H ILE A 48 7.830 -4.982 5.967 1.00 0.00 H new ATOM 0 HA ILE A 48 6.580 -2.744 7.289 1.00 0.00 H new ATOM 0 HB ILE A 48 5.106 -2.907 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.154 -5.908 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.807 -4.802 6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.146 -3.991 3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.344 -3.095 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.259 -4.869 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.570 -6.132 4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.777 -4.407 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.145 -5.530 3.556 1.00 0.00 H new ATOM 744 N ALA A 49 5.637 -5.691 8.319 1.00 0.00 N ATOM 745 CA ALA A 49 4.842 -6.345 9.392 1.00 0.00 C ATOM 746 C ALA A 49 5.411 -5.966 10.761 1.00 0.00 C ATOM 747 O ALA A 49 4.693 -5.568 11.658 1.00 0.00 O ATOM 748 CB ALA A 49 4.992 -7.847 9.143 1.00 0.00 C ATOM 0 H ALA A 49 6.233 -6.316 7.776 1.00 0.00 H new ATOM 0 HA ALA A 49 3.796 -6.039 9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.431 -8.399 9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.607 -8.092 8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.045 -8.122 9.201 1.00 0.00 H new ATOM 754 N ARG A 50 6.700 -6.088 10.926 1.00 0.00 N ATOM 755 CA ARG A 50 7.327 -5.741 12.228 1.00 0.00 C ATOM 756 C ARG A 50 7.539 -4.226 12.335 1.00 0.00 C ATOM 757 O ARG A 50 7.647 -3.681 13.415 1.00 0.00 O ATOM 758 CB ARG A 50 8.668 -6.472 12.223 1.00 0.00 C ATOM 759 CG ARG A 50 8.456 -7.934 12.622 1.00 0.00 C ATOM 760 CD ARG A 50 7.822 -8.699 11.456 1.00 0.00 C ATOM 761 NE ARG A 50 7.692 -10.102 11.942 1.00 0.00 N ATOM 762 CZ ARG A 50 8.572 -11.002 11.591 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.500 -11.564 10.415 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.524 -11.340 12.416 1.00 0.00 N ATOM 0 H ARG A 50 7.347 -6.415 10.209 1.00 0.00 H new ATOM 0 HA ARG A 50 6.705 -6.030 13.075 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.120 -6.416 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.358 -5.992 12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.409 -8.389 12.893 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.813 -7.992 13.500 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.851 -8.281 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.446 -8.646 10.564 1.00 0.00 H new ATOM 0 HE ARG A 50 6.915 -10.360 12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.756 -11.301 9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.188 -12.266 10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.582 -10.902 13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.211 -12.043 12.142 1.00 0.00 H new ATOM 778 N LYS A 51 7.599 -3.544 11.224 1.00 0.00 N ATOM 779 CA LYS A 51 7.804 -2.067 11.265 1.00 0.00 C ATOM 780 C LYS A 51 6.695 -1.413 12.093 1.00 0.00 C ATOM 781 O LYS A 51 6.953 -0.647 13.000 1.00 0.00 O ATOM 782 CB LYS A 51 7.727 -1.621 9.804 1.00 0.00 C ATOM 783 CG LYS A 51 7.826 -0.099 9.718 1.00 0.00 C ATOM 784 CD LYS A 51 9.186 0.359 10.248 1.00 0.00 C ATOM 785 CE LYS A 51 10.294 -0.455 9.576 1.00 0.00 C ATOM 786 NZ LYS A 51 11.523 0.375 9.719 1.00 0.00 N ATOM 0 H LYS A 51 7.515 -3.945 10.290 1.00 0.00 H new ATOM 0 HA LYS A 51 8.752 -1.785 11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.534 -2.079 9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.790 -1.959 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.699 0.226 8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.025 0.361 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.328 1.421 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.229 0.230 11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.416 -1.426 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.065 -0.643 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.328 -0.118 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.380 1.291 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.720 0.532 10.728 1.00 0.00 H new ATOM 800 N GLY A 52 5.462 -1.721 11.799 1.00 0.00 N ATOM 801 CA GLY A 52 4.338 -1.128 12.579 1.00 0.00 C ATOM 802 C GLY A 52 4.243 0.375 12.304 1.00 0.00 C ATOM 803 O GLY A 52 3.249 0.859 11.800 1.00 0.00 O ATOM 0 H GLY A 52 5.184 -2.358 11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.401 -1.615 12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.492 -1.302 13.644 1.00 0.00 H new ATOM 807 N GLN A 53 5.262 1.119 12.638 1.00 0.00 N ATOM 808 CA GLN A 53 5.216 2.591 12.401 1.00 0.00 C ATOM 809 C GLN A 53 4.920 2.892 10.929 1.00 0.00 C ATOM 810 O GLN A 53 4.549 3.995 10.578 1.00 0.00 O ATOM 811 CB GLN A 53 6.604 3.108 12.788 1.00 0.00 C ATOM 812 CG GLN A 53 7.621 2.709 11.716 1.00 0.00 C ATOM 813 CD GLN A 53 8.987 3.332 12.031 1.00 0.00 C ATOM 814 OE1 GLN A 53 9.987 2.936 11.466 1.00 0.00 O ATOM 815 NE2 GLN A 53 9.078 4.296 12.910 1.00 0.00 N ATOM 0 H GLN A 53 6.122 0.773 13.063 1.00 0.00 H new ATOM 0 HA GLN A 53 4.428 3.070 12.983 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.582 4.192 12.896 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.899 2.698 13.754 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.709 1.623 11.672 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.278 3.041 10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.241 4.632 13.387 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.986 4.712 13.119 1.00 0.00 H new ATOM 824 N PHE A 54 5.069 1.927 10.060 1.00 0.00 N ATOM 825 CA PHE A 54 4.782 2.186 8.621 1.00 0.00 C ATOM 826 C PHE A 54 3.309 2.577 8.459 1.00 0.00 C ATOM 827 O PHE A 54 2.476 2.230 9.272 1.00 0.00 O ATOM 828 CB PHE A 54 5.135 0.879 7.892 1.00 0.00 C ATOM 829 CG PHE A 54 3.946 -0.046 7.823 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.303 -0.452 8.996 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.497 -0.506 6.582 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.208 -1.319 8.928 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.407 -1.373 6.513 1.00 0.00 C ATOM 834 CZ PHE A 54 1.760 -1.781 7.685 1.00 0.00 C ATOM 0 H PHE A 54 5.374 0.980 10.283 1.00 0.00 H new ATOM 0 HA PHE A 54 5.361 3.011 8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.482 1.104 6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.956 0.382 8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.652 -0.096 9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.994 -0.190 5.677 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.709 -1.632 9.833 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.062 -1.730 5.554 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.915 -2.452 7.630 1.00 0.00 H new ATOM 844 N ASP A 55 2.987 3.330 7.444 1.00 0.00 N ATOM 845 CA ASP A 55 1.574 3.775 7.272 1.00 0.00 C ATOM 846 C ASP A 55 0.754 2.786 6.435 1.00 0.00 C ATOM 847 O ASP A 55 -0.420 2.598 6.685 1.00 0.00 O ATOM 848 CB ASP A 55 1.670 5.126 6.560 1.00 0.00 C ATOM 849 CG ASP A 55 1.115 6.226 7.468 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.094 6.385 7.501 1.00 0.00 O ATOM 851 OD2 ASP A 55 1.909 6.893 8.111 1.00 0.00 O ATOM 0 H ASP A 55 3.637 3.656 6.729 1.00 0.00 H new ATOM 0 HA ASP A 55 1.064 3.840 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.708 5.341 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.111 5.096 5.625 1.00 0.00 H new ATOM 856 N ILE A 56 1.325 2.166 5.435 1.00 0.00 N ATOM 857 CA ILE A 56 0.493 1.229 4.619 1.00 0.00 C ATOM 858 C ILE A 56 1.263 -0.015 4.165 1.00 0.00 C ATOM 859 O ILE A 56 2.471 -0.088 4.257 1.00 0.00 O ATOM 860 CB ILE A 56 0.050 2.058 3.417 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.604 3.352 3.929 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.948 1.239 2.596 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.526 3.950 2.863 1.00 0.00 C ATOM 0 H ILE A 56 2.301 2.262 5.153 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.341 0.841 5.203 1.00 0.00 H new ATOM 0 HB ILE A 56 0.901 2.314 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.174 3.144 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.167 4.074 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.273 1.820 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.471 0.320 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.812 0.993 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.979 4.865 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.947 4.178 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.309 3.233 2.616 1.00 0.00 H new ATOM 875 N ALA A 57 0.544 -1.001 3.678 1.00 0.00 N ATOM 876 CA ALA A 57 1.191 -2.268 3.217 1.00 0.00 C ATOM 877 C ALA A 57 0.545 -2.759 1.913 1.00 0.00 C ATOM 878 O ALA A 57 -0.520 -3.338 1.930 1.00 0.00 O ATOM 879 CB ALA A 57 0.880 -3.266 4.331 1.00 0.00 C ATOM 0 H ALA A 57 -0.471 -0.979 3.581 1.00 0.00 H new ATOM 0 HA ALA A 57 2.257 -2.141 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.316 -4.234 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.302 -2.907 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.200 -3.370 4.435 1.00 0.00 H new ATOM 885 N ILE A 58 1.177 -2.571 0.787 1.00 0.00 N ATOM 886 CA ILE A 58 0.566 -3.062 -0.481 1.00 0.00 C ATOM 887 C ILE A 58 1.365 -4.250 -1.005 1.00 0.00 C ATOM 888 O ILE A 58 2.519 -4.132 -1.351 1.00 0.00 O ATOM 889 CB ILE A 58 0.634 -1.883 -1.450 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.360 -0.806 -1.004 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.270 -2.356 -2.859 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.359 0.229 -0.136 1.00 0.00 C ATOM 0 H ILE A 58 2.079 -2.105 0.690 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.462 -3.400 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 58 1.644 -1.473 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.801 -0.321 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.177 -1.261 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.319 -1.514 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.972 -3.127 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.741 -2.765 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.350 0.994 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.779 -0.261 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.161 0.692 -0.711 1.00 0.00 H new ATOM 904 N ILE A 59 0.757 -5.394 -1.057 1.00 0.00 N ATOM 905 CA ILE A 59 1.472 -6.599 -1.547 1.00 0.00 C ATOM 906 C ILE A 59 0.503 -7.470 -2.351 1.00 0.00 C ATOM 907 O ILE A 59 -0.017 -8.447 -1.857 1.00 0.00 O ATOM 908 CB ILE A 59 1.917 -7.340 -0.284 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.998 -6.538 0.442 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.481 -8.705 -0.668 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.717 -6.558 1.944 1.00 0.00 C ATOM 0 H ILE A 59 -0.212 -5.549 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 59 2.315 -6.352 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 59 1.058 -7.465 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.981 -6.963 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.013 -5.511 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.798 -9.234 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.713 -9.286 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.336 -8.572 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.485 -5.987 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.741 -6.113 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.724 -7.588 2.302 1.00 0.00 H new ATOM 923 N ASP A 60 0.244 -7.115 -3.575 1.00 0.00 N ATOM 924 CA ASP A 60 -0.710 -7.916 -4.403 1.00 0.00 C ATOM 925 C ASP A 60 -0.542 -9.416 -4.145 1.00 0.00 C ATOM 926 O ASP A 60 0.545 -9.952 -4.219 1.00 0.00 O ATOM 927 CB ASP A 60 -0.350 -7.585 -5.846 1.00 0.00 C ATOM 928 CG ASP A 60 -1.371 -6.596 -6.409 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.791 -5.723 -5.668 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.716 -6.729 -7.572 1.00 0.00 O ATOM 0 H ASP A 60 0.649 -6.305 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.747 -7.677 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.652 -7.158 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.338 -8.494 -6.447 1.00 0.00 H new ATOM 935 N VAL A 61 -1.617 -10.098 -3.853 1.00 0.00 N ATOM 936 CA VAL A 61 -1.523 -11.565 -3.602 1.00 0.00 C ATOM 937 C VAL A 61 -2.290 -12.332 -4.684 1.00 0.00 C ATOM 938 O VAL A 61 -2.776 -13.423 -4.461 1.00 0.00 O ATOM 939 CB VAL A 61 -2.160 -11.783 -2.232 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.655 -11.484 -2.314 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.959 -13.239 -1.806 1.00 0.00 C ATOM 0 H VAL A 61 -2.555 -9.703 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.493 -11.922 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.694 -11.120 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.111 -11.639 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.803 -10.449 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.120 -12.150 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.413 -13.398 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.428 -13.900 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.893 -13.458 -1.751 1.00 0.00 H new ATOM 951 N ASN A 62 -2.403 -11.763 -5.853 1.00 0.00 N ATOM 952 CA ASN A 62 -3.132 -12.452 -6.959 1.00 0.00 C ATOM 953 C ASN A 62 -2.809 -11.786 -8.295 1.00 0.00 C ATOM 954 O ASN A 62 -3.540 -11.919 -9.257 1.00 0.00 O ATOM 955 CB ASN A 62 -4.607 -12.277 -6.637 1.00 0.00 C ATOM 956 CG ASN A 62 -5.304 -13.640 -6.632 1.00 0.00 C ATOM 957 OD1 ASN A 62 -6.381 -13.785 -7.176 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.734 -14.652 -6.037 1.00 0.00 N ATOM 0 H ASN A 62 -2.021 -10.848 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.851 -13.502 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.722 -11.797 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.074 -11.623 -7.373 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.192 -15.563 -6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.830 -14.532 -5.580 1.00 0.00 H new ATOM 965 N LEU A 63 -1.727 -11.065 -8.367 1.00 0.00 N ATOM 966 CA LEU A 63 -1.377 -10.394 -9.644 1.00 0.00 C ATOM 967 C LEU A 63 -0.070 -10.952 -10.196 1.00 0.00 C ATOM 968 O LEU A 63 1.003 -10.627 -9.727 1.00 0.00 O ATOM 969 CB LEU A 63 -1.219 -8.917 -9.293 1.00 0.00 C ATOM 970 CG LEU A 63 -1.763 -8.066 -10.439 1.00 0.00 C ATOM 971 CD1 LEU A 63 -3.277 -7.917 -10.284 1.00 0.00 C ATOM 972 CD2 LEU A 63 -1.108 -6.685 -10.403 1.00 0.00 C ATOM 0 H LEU A 63 -1.073 -10.913 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.138 -10.551 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.754 -8.691 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.169 -8.683 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.540 -8.548 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.668 -7.310 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.744 -8.902 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.499 -7.433 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.496 -6.077 -11.220 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.332 -6.201 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.029 -6.791 -10.510 1.00 0.00 H new ATOM 984 N ASP A 64 -0.160 -11.779 -11.199 1.00 0.00 N ATOM 985 CA ASP A 64 1.061 -12.364 -11.823 1.00 0.00 C ATOM 986 C ASP A 64 1.671 -13.478 -10.958 1.00 0.00 C ATOM 987 O ASP A 64 2.695 -14.030 -11.308 1.00 0.00 O ATOM 988 CB ASP A 64 2.049 -11.201 -11.980 1.00 0.00 C ATOM 989 CG ASP A 64 2.516 -11.121 -13.434 1.00 0.00 C ATOM 990 OD1 ASP A 64 1.743 -10.661 -14.258 1.00 0.00 O ATOM 991 OD2 ASP A 64 3.639 -11.516 -13.699 1.00 0.00 O ATOM 0 H ASP A 64 -1.040 -12.079 -11.619 1.00 0.00 H new ATOM 0 HA ASP A 64 0.819 -12.827 -12.780 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.574 -10.265 -11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.904 -11.345 -11.320 1.00 0.00 H new ATOM 996 N GLY A 65 1.068 -13.848 -9.850 1.00 0.00 N ATOM 997 CA GLY A 65 1.689 -14.957 -9.055 1.00 0.00 C ATOM 998 C GLY A 65 1.386 -14.856 -7.556 1.00 0.00 C ATOM 999 O GLY A 65 1.871 -15.654 -6.780 1.00 0.00 O ATOM 0 H GLY A 65 0.208 -13.449 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.327 -15.914 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.769 -14.944 -9.204 1.00 0.00 H new ATOM 1003 N GLU A 66 0.602 -13.904 -7.137 1.00 0.00 N ATOM 1004 CA GLU A 66 0.279 -13.778 -5.687 1.00 0.00 C ATOM 1005 C GLU A 66 1.494 -14.107 -4.815 1.00 0.00 C ATOM 1006 O GLU A 66 1.441 -14.999 -3.990 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.853 -14.779 -5.427 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.403 -16.200 -5.779 1.00 0.00 C ATOM 1009 CD GLU A 66 -1.450 -17.201 -5.285 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -2.411 -17.425 -6.003 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -1.273 -17.727 -4.199 1.00 0.00 O ATOM 0 H GLU A 66 0.168 -13.204 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.012 -12.758 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.152 -14.735 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.727 -14.511 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.272 -16.296 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.563 -16.411 -5.321 1.00 0.00 H new ATOM 1018 N PRO A 67 2.547 -13.360 -5.014 1.00 0.00 N ATOM 1019 CA PRO A 67 3.778 -13.560 -4.224 1.00 0.00 C ATOM 1020 C PRO A 67 3.680 -12.801 -2.896 1.00 0.00 C ATOM 1021 O PRO A 67 4.677 -12.468 -2.286 1.00 0.00 O ATOM 1022 CB PRO A 67 4.865 -12.963 -5.107 1.00 0.00 C ATOM 1023 CG PRO A 67 4.172 -11.958 -5.980 1.00 0.00 C ATOM 1024 CD PRO A 67 2.693 -12.278 -5.989 1.00 0.00 C ATOM 0 HA PRO A 67 3.965 -14.603 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.642 -12.490 -4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.350 -13.734 -5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.340 -10.949 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.574 -11.993 -6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.097 -11.409 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.360 -12.588 -6.979 1.00 0.00 H new ATOM 1032 N SER A 68 2.482 -12.520 -2.448 1.00 0.00 N ATOM 1033 CA SER A 68 2.311 -11.775 -1.162 1.00 0.00 C ATOM 1034 C SER A 68 2.533 -12.698 0.046 1.00 0.00 C ATOM 1035 O SER A 68 2.258 -12.330 1.170 1.00 0.00 O ATOM 1036 CB SER A 68 0.867 -11.274 -1.190 1.00 0.00 C ATOM 1037 OG SER A 68 0.029 -12.218 -0.536 1.00 0.00 O ATOM 0 H SER A 68 1.613 -12.775 -2.918 1.00 0.00 H new ATOM 0 HA SER A 68 3.033 -10.964 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.797 -10.305 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.539 -11.132 -2.220 1.00 0.00 H new ATOM 0 HG SER A 68 0.368 -13.123 -0.698 1.00 0.00 H new ATOM 1043 N TYR A 69 3.034 -13.887 -0.180 1.00 0.00 N ATOM 1044 CA TYR A 69 3.288 -14.850 0.943 1.00 0.00 C ATOM 1045 C TYR A 69 2.082 -14.937 1.888 1.00 0.00 C ATOM 1046 O TYR A 69 1.108 -14.211 1.751 1.00 0.00 O ATOM 1047 CB TYR A 69 4.536 -14.352 1.712 1.00 0.00 C ATOM 1048 CG TYR A 69 5.012 -13.003 1.209 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.807 -12.923 0.060 1.00 0.00 C ATOM 1050 CD2 TYR A 69 4.652 -11.836 1.893 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.241 -11.675 -0.404 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.085 -10.589 1.429 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.879 -10.509 0.280 1.00 0.00 C ATOM 1054 OH TYR A 69 6.305 -9.281 -0.182 1.00 0.00 O ATOM 0 H TYR A 69 3.282 -14.238 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 69 3.452 -15.850 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.303 -14.281 2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.340 -15.081 1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.086 -13.823 -0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.039 -11.898 2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.855 -11.612 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.807 -9.689 1.957 1.00 0.00 H new ATOM 0 HH TYR A 69 6.407 -9.315 -1.156 1.00 0.00 H new ATOM 1064 N PRO A 70 2.191 -15.836 2.830 1.00 0.00 N ATOM 1065 CA PRO A 70 1.105 -16.031 3.814 1.00 0.00 C ATOM 1066 C PRO A 70 1.017 -14.817 4.734 1.00 0.00 C ATOM 1067 O PRO A 70 0.138 -14.722 5.567 1.00 0.00 O ATOM 1068 CB PRO A 70 1.529 -17.285 4.578 1.00 0.00 C ATOM 1069 CG PRO A 70 3.012 -17.346 4.417 1.00 0.00 C ATOM 1070 CD PRO A 70 3.323 -16.739 3.073 1.00 0.00 C ATOM 0 HA PRO A 70 0.119 -16.142 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.247 -17.222 5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.050 -18.176 4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.512 -16.797 5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.366 -18.376 4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.270 -16.200 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.401 -17.501 2.298 1.00 0.00 H new ATOM 1078 N VAL A 71 1.916 -13.878 4.588 1.00 0.00 N ATOM 1079 CA VAL A 71 1.859 -12.677 5.455 1.00 0.00 C ATOM 1080 C VAL A 71 0.805 -11.715 4.924 1.00 0.00 C ATOM 1081 O VAL A 71 -0.229 -11.553 5.529 1.00 0.00 O ATOM 1082 CB VAL A 71 3.255 -12.060 5.414 1.00 0.00 C ATOM 1083 CG1 VAL A 71 3.398 -11.052 6.555 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.306 -13.164 5.574 1.00 0.00 C ATOM 0 H VAL A 71 2.678 -13.895 3.911 1.00 0.00 H new ATOM 0 HA VAL A 71 1.581 -12.918 6.481 1.00 0.00 H new ATOM 0 HB VAL A 71 3.402 -11.554 4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.394 -10.610 6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.650 -10.267 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.252 -11.559 7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.303 -12.724 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.160 -13.670 6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.203 -13.884 4.763 1.00 0.00 H new ATOM 1094 N ALA A 72 1.031 -11.104 3.784 1.00 0.00 N ATOM 1095 CA ALA A 72 -0.014 -10.197 3.212 1.00 0.00 C ATOM 1096 C ALA A 72 -1.354 -10.870 3.425 1.00 0.00 C ATOM 1097 O ALA A 72 -2.360 -10.252 3.714 1.00 0.00 O ATOM 1098 CB ALA A 72 0.300 -10.141 1.730 1.00 0.00 C ATOM 0 H ALA A 72 1.884 -11.193 3.231 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.034 -9.203 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.421 -9.494 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.305 -9.744 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.242 -11.144 1.308 1.00 0.00 H new ATOM 1104 N ASP A 73 -1.332 -12.164 3.320 1.00 0.00 N ATOM 1105 CA ASP A 73 -2.551 -12.963 3.550 1.00 0.00 C ATOM 1106 C ASP A 73 -3.003 -12.774 4.992 1.00 0.00 C ATOM 1107 O ASP A 73 -4.125 -12.409 5.282 1.00 0.00 O ATOM 1108 CB ASP A 73 -2.066 -14.386 3.360 1.00 0.00 C ATOM 1109 CG ASP A 73 -2.085 -14.746 1.874 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -3.057 -14.413 1.216 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -1.126 -15.346 1.418 1.00 0.00 O ATOM 0 H ASP A 73 -0.503 -12.708 3.080 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.383 -12.695 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.056 -14.492 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.701 -15.074 3.918 1.00 0.00 H new ATOM 1116 N ILE A 74 -2.102 -13.023 5.895 1.00 0.00 N ATOM 1117 CA ILE A 74 -2.410 -12.872 7.341 1.00 0.00 C ATOM 1118 C ILE A 74 -2.613 -11.396 7.665 1.00 0.00 C ATOM 1119 O ILE A 74 -3.512 -11.023 8.392 1.00 0.00 O ATOM 1120 CB ILE A 74 -1.180 -13.417 8.068 1.00 0.00 C ATOM 1121 CG1 ILE A 74 -1.192 -14.946 8.016 1.00 0.00 C ATOM 1122 CG2 ILE A 74 -1.199 -12.957 9.528 1.00 0.00 C ATOM 1123 CD1 ILE A 74 0.179 -15.480 8.437 1.00 0.00 C ATOM 0 H ILE A 74 -1.151 -13.329 5.690 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.318 -13.399 7.636 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.279 -13.043 7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.965 -15.337 8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.433 -15.285 7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.321 -13.347 10.044 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.188 -11.868 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.101 -13.329 10.015 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.172 -16.569 8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.942 -15.099 7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.401 -15.152 9.453 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.790 -10.550 7.115 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.945 -9.102 7.376 1.00 0.00 C ATOM 1137 C LEU A 75 -3.361 -8.687 6.987 1.00 0.00 C ATOM 1138 O LEU A 75 -3.867 -7.678 7.423 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.900 -8.431 6.483 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.312 -7.216 7.204 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.879 -7.658 8.058 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.158 -6.187 6.173 1.00 0.00 C ATOM 0 H LEU A 75 -1.019 -10.802 6.497 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.801 -8.826 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.108 -9.139 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.355 -8.123 5.542 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.074 -6.770 7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.299 -6.793 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.547 -8.392 8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.640 -8.104 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.577 -5.322 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.920 -6.634 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.688 -5.872 5.562 1.00 0.00 H new ATOM 1154 N ALA A 76 -4.006 -9.479 6.172 1.00 0.00 N ATOM 1155 CA ALA A 76 -5.392 -9.158 5.748 1.00 0.00 C ATOM 1156 C ALA A 76 -6.403 -9.760 6.730 1.00 0.00 C ATOM 1157 O ALA A 76 -7.508 -9.276 6.870 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.542 -9.801 4.370 1.00 0.00 C ATOM 0 H ALA A 76 -3.625 -10.341 5.781 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.575 -8.084 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.544 -9.609 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.804 -9.377 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.385 -10.877 4.451 1.00 0.00 H new ATOM 1164 N GLU A 77 -6.040 -10.815 7.404 1.00 0.00 N ATOM 1165 CA GLU A 77 -6.989 -11.441 8.366 1.00 0.00 C ATOM 1166 C GLU A 77 -7.236 -10.518 9.576 1.00 0.00 C ATOM 1167 O GLU A 77 -8.318 -10.488 10.127 1.00 0.00 O ATOM 1168 CB GLU A 77 -6.323 -12.762 8.782 1.00 0.00 C ATOM 1169 CG GLU A 77 -5.468 -12.568 10.039 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.708 -13.861 10.340 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.820 -14.196 9.573 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -5.027 -14.494 11.333 1.00 0.00 O ATOM 0 H GLU A 77 -5.130 -11.270 7.331 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.971 -11.613 7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.087 -13.517 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.701 -13.133 7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.767 -11.747 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.101 -12.300 10.885 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.249 -9.770 9.997 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.449 -8.867 11.168 1.00 0.00 C ATOM 1181 C ARG A 78 -6.035 -7.429 10.826 1.00 0.00 C ATOM 1182 O ARG A 78 -6.705 -6.480 11.178 1.00 0.00 O ATOM 1183 CB ARG A 78 -5.553 -9.441 12.265 1.00 0.00 C ATOM 1184 CG ARG A 78 -4.087 -9.252 11.873 1.00 0.00 C ATOM 1185 CD ARG A 78 -3.187 -9.891 12.932 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.446 -10.959 12.210 1.00 0.00 N ATOM 1187 CZ ARG A 78 -2.564 -12.200 12.587 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -3.733 -12.779 12.566 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -1.514 -12.862 12.987 1.00 0.00 N ATOM 0 H ARG A 78 -5.317 -9.746 9.582 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.494 -8.821 11.474 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.755 -8.942 13.213 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.769 -10.500 12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.899 -9.705 10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.859 -8.190 11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.504 -9.159 13.364 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.774 -10.303 13.753 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.846 -10.720 11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.554 -12.260 12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.826 -13.751 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.601 -12.408 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.606 -13.834 13.282 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.944 -7.281 10.118 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.430 -5.936 9.693 1.00 0.00 C ATOM 1205 C ASN A 79 -4.529 -4.851 10.776 1.00 0.00 C ATOM 1206 O ASN A 79 -5.127 -5.011 11.820 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.257 -5.513 8.473 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.680 -6.064 8.547 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.527 -5.515 9.222 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.975 -7.133 7.870 1.00 0.00 N ATOM 0 H ASN A 79 -4.367 -8.062 9.805 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.366 -6.033 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.289 -4.425 8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.774 -5.869 7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.921 -7.514 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.261 -7.591 7.304 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.926 -3.731 10.484 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.928 -2.554 11.401 1.00 0.00 C ATOM 1219 C VAL A 80 -4.150 -1.309 10.513 1.00 0.00 C ATOM 1220 O VAL A 80 -4.695 -1.454 9.438 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.538 -2.585 12.040 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.202 -4.011 12.481 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.500 -2.113 11.019 1.00 0.00 C ATOM 0 H VAL A 80 -3.413 -3.578 9.615 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.696 -2.551 12.175 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.526 -1.927 12.909 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.211 -4.027 12.935 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.940 -4.351 13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.215 -4.672 11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.509 -2.134 11.472 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.517 -2.773 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.734 -1.096 10.706 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.715 -0.129 10.919 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.907 1.041 10.026 1.00 0.00 C ATOM 1235 C PRO A 81 -3.038 0.832 8.786 1.00 0.00 C ATOM 1236 O PRO A 81 -1.835 0.693 8.890 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.463 2.231 10.865 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.551 1.656 11.897 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.023 0.248 12.165 1.00 0.00 C ATOM 0 HA PRO A 81 -4.928 1.189 9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.950 2.975 10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.316 2.730 11.325 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.520 1.657 11.544 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.576 2.252 12.809 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.189 -0.421 12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.693 0.206 13.024 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.629 0.766 7.616 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.812 0.504 6.397 1.00 0.00 C ATOM 1249 C PHE A 82 -3.684 0.428 5.140 1.00 0.00 C ATOM 1250 O PHE A 82 -4.718 1.049 5.038 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.168 -0.866 6.652 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.169 -1.988 6.442 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.545 -1.755 6.566 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.708 -3.274 6.138 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.455 -2.801 6.385 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.619 -4.323 5.960 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.993 -4.086 6.084 1.00 0.00 C ATOM 0 H PHE A 82 -4.630 0.881 7.457 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.087 1.300 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.319 -1.002 5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.781 -0.906 7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.904 -0.764 6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.648 -3.458 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.515 -2.616 6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.261 -5.315 5.727 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.696 -4.895 5.947 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.264 -0.362 4.191 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.046 -0.527 2.937 1.00 0.00 C ATOM 1269 C ILE A 83 -3.448 -1.677 2.127 1.00 0.00 C ATOM 1270 O ILE A 83 -2.274 -1.954 2.219 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.919 0.822 2.222 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.297 1.481 2.114 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.332 0.648 0.814 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.145 3.003 2.172 1.00 0.00 C ATOM 0 H ILE A 83 -2.402 -0.906 4.233 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.095 -0.778 3.098 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.247 1.452 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.779 1.189 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.940 1.139 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.253 1.621 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.342 0.197 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.983 0.002 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.127 3.470 2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.681 3.287 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.518 3.338 1.345 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.244 -2.353 1.352 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.698 -3.502 0.559 1.00 0.00 C ATOM 1288 C PHE A 84 -4.540 -3.790 -0.687 1.00 0.00 C ATOM 1289 O PHE A 84 -5.732 -3.556 -0.735 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.796 -4.669 1.524 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.094 -5.900 0.974 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.610 -6.551 -0.154 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.939 -6.402 1.599 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.980 -7.695 -0.656 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.311 -7.547 1.090 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.832 -8.192 -0.036 1.00 0.00 C ATOM 0 H PHE A 84 -5.240 -2.168 1.229 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.689 -3.305 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.352 -4.391 2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.844 -4.900 1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.497 -6.169 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.536 -5.906 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.383 -8.195 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.423 -7.932 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.346 -9.074 -0.426 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.940 -4.331 -1.696 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.741 -4.652 -2.899 1.00 0.00 C ATOM 1308 C ALA A 85 -4.461 -6.083 -3.351 1.00 0.00 C ATOM 1309 O ALA A 85 -3.329 -6.516 -3.418 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.323 -3.646 -3.975 1.00 0.00 C ATOM 0 H ALA A 85 -2.948 -4.563 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.810 -4.584 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.885 -3.837 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.529 -2.634 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.257 -3.750 -4.176 1.00 0.00 H new ATOM 1316 N THR A 86 -5.490 -6.820 -3.653 1.00 0.00 N ATOM 1317 CA THR A 86 -5.294 -8.229 -4.095 1.00 0.00 C ATOM 1318 C THR A 86 -6.361 -8.607 -5.130 1.00 0.00 C ATOM 1319 O THR A 86 -7.420 -8.023 -5.188 1.00 0.00 O ATOM 1320 CB THR A 86 -5.418 -9.095 -2.836 1.00 0.00 C ATOM 1321 OG1 THR A 86 -6.060 -10.317 -3.167 1.00 0.00 O ATOM 1322 CG2 THR A 86 -6.227 -8.372 -1.757 1.00 0.00 C ATOM 0 H THR A 86 -6.460 -6.509 -3.613 1.00 0.00 H new ATOM 0 HA THR A 86 -4.323 -8.373 -4.569 1.00 0.00 H new ATOM 0 HB THR A 86 -4.418 -9.291 -2.448 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.367 -10.757 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.302 -9.005 -0.873 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.730 -7.439 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.226 -8.156 -2.135 1.00 0.00 H new ATOM 1330 N GLY A 87 -6.067 -9.562 -5.960 1.00 0.00 N ATOM 1331 CA GLY A 87 -7.023 -9.981 -7.028 1.00 0.00 C ATOM 1332 C GLY A 87 -8.487 -9.981 -6.561 1.00 0.00 C ATOM 1333 O GLY A 87 -9.383 -9.923 -7.378 1.00 0.00 O ATOM 0 H GLY A 87 -5.190 -10.082 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.920 -9.312 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.758 -10.980 -7.373 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.772 -10.075 -5.288 1.00 0.00 N ATOM 1338 CA TYR A 88 -10.218 -10.109 -4.892 1.00 0.00 C ATOM 1339 C TYR A 88 -10.654 -8.862 -4.109 1.00 0.00 C ATOM 1340 O TYR A 88 -11.807 -8.737 -3.745 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.410 -11.379 -4.054 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.175 -11.687 -3.241 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.867 -10.915 -2.118 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.352 -12.762 -3.599 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.735 -11.213 -1.353 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.220 -13.062 -2.832 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.912 -12.288 -1.707 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.797 -12.582 -0.949 1.00 0.00 O ATOM 0 H TYR A 88 -8.095 -10.128 -4.526 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.843 -10.116 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.265 -11.254 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.637 -12.220 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.503 -10.088 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.591 -13.359 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.496 -10.613 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.584 -13.890 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.337 -13.358 -1.332 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.781 -7.925 -3.870 1.00 0.00 N ATOM 1359 CA GLY A 89 -10.221 -6.695 -3.144 1.00 0.00 C ATOM 1360 C GLY A 89 -9.802 -6.731 -1.671 1.00 0.00 C ATOM 1361 O GLY A 89 -10.240 -5.915 -0.886 1.00 0.00 O ATOM 0 H GLY A 89 -8.798 -7.952 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.792 -5.815 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.305 -6.599 -3.213 1.00 0.00 H new ATOM 1365 N SER A 90 -8.957 -7.653 -1.289 1.00 0.00 N ATOM 1366 CA SER A 90 -8.499 -7.723 0.139 1.00 0.00 C ATOM 1367 C SER A 90 -9.568 -8.322 1.044 1.00 0.00 C ATOM 1368 O SER A 90 -9.598 -8.063 2.231 1.00 0.00 O ATOM 1369 CB SER A 90 -8.182 -6.283 0.547 1.00 0.00 C ATOM 1370 OG SER A 90 -7.611 -5.603 -0.563 1.00 0.00 O ATOM 0 H SER A 90 -8.561 -8.364 -1.903 1.00 0.00 H new ATOM 0 HA SER A 90 -7.628 -8.371 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.090 -5.775 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.491 -6.274 1.390 1.00 0.00 H new ATOM 0 HG SER A 90 -6.865 -5.046 -0.257 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.419 -9.148 0.512 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.445 -9.787 1.371 1.00 0.00 C ATOM 1378 C LYS A 91 -12.265 -8.722 2.108 1.00 0.00 C ATOM 1379 O LYS A 91 -13.318 -8.317 1.662 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.606 -10.635 2.340 1.00 0.00 C ATOM 1381 CG LYS A 91 -11.387 -10.943 3.614 1.00 0.00 C ATOM 1382 CD LYS A 91 -10.533 -10.589 4.836 1.00 0.00 C ATOM 1383 CE LYS A 91 -9.636 -11.776 5.190 1.00 0.00 C ATOM 1384 NZ LYS A 91 -10.572 -12.915 5.409 1.00 0.00 N ATOM 0 H LYS A 91 -10.448 -9.407 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.173 -10.382 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.314 -11.566 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.688 -10.105 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.317 -10.374 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.659 -11.998 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.925 -9.709 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.174 -10.339 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.932 -11.992 4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.046 -11.572 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.195 -13.535 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.501 -12.550 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.673 -13.456 4.526 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.791 -8.275 3.235 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.539 -7.246 4.009 1.00 0.00 C ATOM 1400 C GLY A 92 -11.685 -6.808 5.196 1.00 0.00 C ATOM 1401 O GLY A 92 -12.182 -6.547 6.274 1.00 0.00 O ATOM 0 H GLY A 92 -10.913 -8.579 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.771 -6.391 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.489 -7.652 4.357 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.398 -6.730 4.994 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.478 -6.313 6.088 1.00 0.00 C ATOM 1407 C LEU A 93 -10.119 -5.208 6.941 1.00 0.00 C ATOM 1408 O LEU A 93 -10.991 -4.491 6.494 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.212 -5.828 5.359 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.240 -4.310 5.115 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -7.103 -3.936 4.165 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.565 -3.887 4.472 1.00 0.00 C ATOM 0 H LEU A 93 -9.940 -6.940 4.107 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.251 -7.119 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.332 -6.085 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.120 -6.348 4.405 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.129 -3.803 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.116 -2.861 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.149 -4.218 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.231 -4.462 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.562 -2.809 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.686 -4.399 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.391 -4.152 5.132 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.714 -5.080 8.175 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.322 -4.032 9.047 1.00 0.00 C ATOM 1426 C ASP A 94 -9.313 -2.922 9.354 1.00 0.00 C ATOM 1427 O ASP A 94 -8.200 -3.176 9.768 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.737 -4.762 10.326 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.548 -5.548 10.881 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.339 -6.663 10.434 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.868 -5.021 11.746 1.00 0.00 O ATOM 0 H ASP A 94 -8.993 -5.651 8.616 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.171 -3.547 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.089 -4.045 11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.566 -5.438 10.117 1.00 0.00 H new ATOM 1436 N THR A 95 -9.702 -1.692 9.163 1.00 0.00 N ATOM 1437 CA THR A 95 -8.776 -0.560 9.451 1.00 0.00 C ATOM 1438 C THR A 95 -9.546 0.765 9.406 1.00 0.00 C ATOM 1439 O THR A 95 -10.506 0.909 8.676 1.00 0.00 O ATOM 1440 CB THR A 95 -7.723 -0.613 8.335 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.828 -1.697 8.565 1.00 0.00 O ATOM 1442 CG2 THR A 95 -6.922 0.683 8.317 1.00 0.00 C ATOM 0 H THR A 95 -10.623 -1.421 8.819 1.00 0.00 H new ATOM 0 HA THR A 95 -8.321 -0.633 10.439 1.00 0.00 H new ATOM 0 HB THR A 95 -8.233 -0.748 7.381 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.959 -1.495 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.177 0.639 7.523 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.593 1.523 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.422 0.815 9.277 1.00 0.00 H new ATOM 1450 N ARG A 96 -9.127 1.743 10.167 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.834 3.057 10.141 1.00 0.00 C ATOM 1452 C ARG A 96 -10.118 3.448 8.693 1.00 0.00 C ATOM 1453 O ARG A 96 -11.031 4.192 8.401 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.857 4.049 10.775 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.546 3.611 12.207 1.00 0.00 C ATOM 1456 CD ARG A 96 -9.854 3.297 12.937 1.00 0.00 C ATOM 1457 NE ARG A 96 -9.445 2.908 14.314 1.00 0.00 N ATOM 1458 CZ ARG A 96 -10.089 3.389 15.342 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -11.303 2.985 15.598 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -9.519 4.276 16.111 1.00 0.00 N ATOM 0 H ARG A 96 -8.330 1.689 10.802 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.786 3.032 10.672 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.939 4.096 10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.287 5.051 10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.901 2.732 12.198 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.004 4.399 12.731 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.515 4.164 12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.397 2.490 12.444 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.664 2.267 14.454 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.748 2.293 14.995 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.807 3.361 16.401 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.571 4.593 15.908 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.022 4.653 16.915 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.334 2.940 7.789 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.524 3.254 6.355 1.00 0.00 C ATOM 1476 C TYR A 97 -10.865 2.684 5.869 1.00 0.00 C ATOM 1477 O TYR A 97 -11.707 3.413 5.387 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.334 2.567 5.691 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.086 3.404 5.887 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -7.006 4.348 6.925 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.003 3.230 5.026 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.842 5.107 7.090 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.840 3.989 5.191 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.759 4.928 6.223 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.612 5.678 6.386 1.00 0.00 O ATOM 0 H TYR A 97 -8.557 2.310 7.989 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.560 4.320 6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.189 1.575 6.119 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.528 2.430 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.842 4.488 7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.063 2.505 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.780 5.832 7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.005 3.850 4.521 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.958 5.428 5.701 1.00 0.00 H new ATOM 1495 N SER A 98 -11.064 1.390 6.012 1.00 0.00 N ATOM 1496 CA SER A 98 -12.346 0.733 5.591 1.00 0.00 C ATOM 1497 C SER A 98 -12.313 0.369 4.109 1.00 0.00 C ATOM 1498 O SER A 98 -13.157 0.793 3.347 1.00 0.00 O ATOM 1499 CB SER A 98 -13.471 1.734 5.874 1.00 0.00 C ATOM 1500 OG SER A 98 -13.191 2.432 7.081 1.00 0.00 O ATOM 0 H SER A 98 -10.377 0.751 6.411 1.00 0.00 H new ATOM 0 HA SER A 98 -12.500 -0.195 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.563 2.438 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.425 1.212 5.956 1.00 0.00 H new ATOM 0 HG SER A 98 -12.858 3.329 6.870 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.360 -0.442 3.711 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.270 -0.881 2.279 1.00 0.00 C ATOM 1508 C ASN A 99 -11.064 0.304 1.328 1.00 0.00 C ATOM 1509 O ASN A 99 -10.080 0.381 0.624 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.615 -1.543 2.015 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.572 -2.974 2.525 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.755 -3.912 1.774 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.337 -3.178 3.787 1.00 0.00 N ATOM 0 H ASN A 99 -10.636 -0.821 4.321 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.421 -1.543 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.411 -0.990 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.838 -1.530 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.305 -4.130 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.184 -2.386 4.412 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.996 1.217 1.319 1.00 0.00 N ATOM 1521 CA ILE A 100 -11.936 2.436 0.427 1.00 0.00 C ATOM 1522 C ILE A 100 -10.833 2.339 -0.679 1.00 0.00 C ATOM 1523 O ILE A 100 -11.073 1.664 -1.660 1.00 0.00 O ATOM 1524 CB ILE A 100 -11.824 3.665 1.362 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -11.560 3.256 2.833 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -13.161 4.407 1.313 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -10.268 2.431 2.978 1.00 0.00 C ATOM 0 H ILE A 100 -12.828 1.176 1.908 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.842 2.528 -0.172 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.990 4.281 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.490 4.151 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.404 2.676 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.116 5.281 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.363 4.725 0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.958 3.744 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -10.121 2.166 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -10.347 1.523 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.419 3.020 2.631 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.670 2.983 -0.555 1.00 0.00 N ATOM 1540 CA PRO A 101 -8.639 2.877 -1.640 1.00 0.00 C ATOM 1541 C PRO A 101 -8.205 1.456 -1.943 1.00 0.00 C ATOM 1542 O PRO A 101 -8.036 1.076 -3.085 1.00 0.00 O ATOM 1543 CB PRO A 101 -7.451 3.618 -1.064 1.00 0.00 C ATOM 1544 CG PRO A 101 -7.684 3.578 0.402 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.142 3.842 0.518 1.00 0.00 C ATOM 0 HA PRO A 101 -9.037 3.268 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.511 3.136 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.401 4.642 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.414 2.611 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.095 4.332 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.534 3.567 1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.384 4.893 0.362 1.00 0.00 H new ATOM 1553 N LEU A 102 -7.951 0.691 -0.936 1.00 0.00 N ATOM 1554 CA LEU A 102 -7.439 -0.672 -1.174 1.00 0.00 C ATOM 1555 C LEU A 102 -8.480 -1.567 -1.821 1.00 0.00 C ATOM 1556 O LEU A 102 -9.663 -1.463 -1.565 1.00 0.00 O ATOM 1557 CB LEU A 102 -7.030 -1.161 0.202 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.237 -1.671 0.966 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.141 -3.186 1.070 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.238 -1.040 2.361 1.00 0.00 C ATOM 0 H LEU A 102 -8.075 0.949 0.043 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.605 -0.685 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.290 -1.956 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.557 -0.350 0.757 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.161 -1.405 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.003 -3.568 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.125 -3.619 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.227 -3.457 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.101 -1.398 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.324 -1.317 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.290 0.045 2.270 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.021 -2.434 -2.688 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.942 -3.338 -3.417 1.00 0.00 C ATOM 1574 C LEU A 103 -8.158 -4.181 -4.434 1.00 0.00 C ATOM 1575 O LEU A 103 -7.671 -5.248 -4.117 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.911 -2.389 -4.124 1.00 0.00 C ATOM 1577 CG LEU A 103 -11.116 -3.166 -4.611 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -12.367 -2.367 -4.267 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -11.012 -3.358 -6.123 1.00 0.00 C ATOM 0 H LEU A 103 -7.034 -2.550 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.457 -4.042 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.226 -1.599 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.414 -1.905 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.162 -4.146 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.250 -2.908 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.423 -2.226 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.324 -1.395 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.877 -3.917 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.983 -2.384 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.102 -3.910 -6.358 1.00 0.00 H new ATOM 1591 N THR A 104 -8.029 -3.710 -5.651 1.00 0.00 N ATOM 1592 CA THR A 104 -7.286 -4.479 -6.683 1.00 0.00 C ATOM 1593 C THR A 104 -7.030 -3.603 -7.915 1.00 0.00 C ATOM 1594 O THR A 104 -7.865 -3.513 -8.781 1.00 0.00 O ATOM 1595 CB THR A 104 -8.222 -5.628 -7.064 1.00 0.00 C ATOM 1596 OG1 THR A 104 -8.710 -6.266 -5.896 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.464 -6.633 -7.926 1.00 0.00 C ATOM 0 H THR A 104 -8.411 -2.820 -5.970 1.00 0.00 H new ATOM 0 HA THR A 104 -6.319 -4.825 -6.317 1.00 0.00 H new ATOM 0 HB THR A 104 -9.068 -5.232 -7.626 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.956 -6.524 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.129 -7.453 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.106 -6.140 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.615 -7.025 -7.366 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.888 -2.966 -8.003 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.585 -2.098 -9.193 1.00 0.00 C ATOM 1607 C LYS A 105 -4.289 -1.312 -8.929 1.00 0.00 C ATOM 1608 O LYS A 105 -3.685 -1.467 -7.887 1.00 0.00 O ATOM 1609 CB LYS A 105 -6.785 -1.146 -9.320 1.00 0.00 C ATOM 1610 CG LYS A 105 -7.340 -1.175 -10.756 1.00 0.00 C ATOM 1611 CD LYS A 105 -8.320 -2.336 -10.921 1.00 0.00 C ATOM 1612 CE LYS A 105 -8.997 -2.246 -12.290 1.00 0.00 C ATOM 1613 NZ LYS A 105 -8.066 -2.942 -13.221 1.00 0.00 N ATOM 0 H LYS A 105 -5.148 -3.007 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.440 -2.673 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.564 -1.436 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.482 -0.132 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.841 -0.233 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.521 -1.277 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.794 -3.286 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.070 -2.307 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.976 -2.724 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.152 -1.209 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.459 -2.924 -14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.144 -2.460 -13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.943 -3.929 -12.916 1.00 0.00 H new ATOM 1627 N PRO A 106 -3.892 -0.493 -9.874 1.00 0.00 N ATOM 1628 CA PRO A 106 -2.655 0.302 -9.703 1.00 0.00 C ATOM 1629 C PRO A 106 -2.913 1.496 -8.780 1.00 0.00 C ATOM 1630 O PRO A 106 -3.854 1.504 -8.011 1.00 0.00 O ATOM 1631 CB PRO A 106 -2.323 0.763 -11.118 1.00 0.00 C ATOM 1632 CG PRO A 106 -3.625 0.755 -11.853 1.00 0.00 C ATOM 1633 CD PRO A 106 -4.539 -0.229 -11.163 1.00 0.00 C ATOM 0 HA PRO A 106 -1.841 -0.262 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.881 1.759 -11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -1.601 0.096 -11.590 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.068 1.751 -11.856 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.474 0.471 -12.894 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.538 0.185 -11.028 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.650 -1.143 -11.746 1.00 0.00 H new ATOM 1641 N PHE A 107 -2.085 2.501 -8.845 1.00 0.00 N ATOM 1642 CA PHE A 107 -2.288 3.685 -7.963 1.00 0.00 C ATOM 1643 C PHE A 107 -3.062 4.781 -8.703 1.00 0.00 C ATOM 1644 O PHE A 107 -4.227 4.619 -9.005 1.00 0.00 O ATOM 1645 CB PHE A 107 -0.879 4.140 -7.590 1.00 0.00 C ATOM 1646 CG PHE A 107 -0.174 2.997 -6.902 1.00 0.00 C ATOM 1647 CD1 PHE A 107 0.473 2.019 -7.664 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -0.182 2.906 -5.505 1.00 0.00 C ATOM 1649 CE1 PHE A 107 1.115 0.950 -7.030 1.00 0.00 C ATOM 1650 CE2 PHE A 107 0.458 1.835 -4.871 1.00 0.00 C ATOM 1651 CZ PHE A 107 1.108 0.857 -5.635 1.00 0.00 C ATOM 0 H PHE A 107 -1.279 2.554 -9.468 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.879 3.452 -7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.330 4.442 -8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.923 5.009 -6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.477 2.089 -8.742 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.682 3.662 -4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.616 0.196 -7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.451 1.762 -3.793 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.604 0.031 -5.146 1.00 0.00 H new ATOM 1661 N LEU A 108 -2.449 5.898 -8.992 1.00 0.00 N ATOM 1662 CA LEU A 108 -3.201 6.972 -9.695 1.00 0.00 C ATOM 1663 C LEU A 108 -4.545 7.169 -8.985 1.00 0.00 C ATOM 1664 O LEU A 108 -4.581 7.523 -7.826 1.00 0.00 O ATOM 1665 CB LEU A 108 -3.391 6.455 -11.122 1.00 0.00 C ATOM 1666 CG LEU A 108 -2.075 6.579 -11.889 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -1.395 5.210 -11.956 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -2.361 7.080 -13.307 1.00 0.00 C ATOM 0 H LEU A 108 -1.475 6.110 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.689 7.934 -9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.716 5.415 -11.103 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.172 7.024 -11.625 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.419 7.285 -11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.456 5.296 -12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.195 4.853 -10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.049 4.504 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.424 7.170 -13.857 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.015 6.373 -13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.847 8.054 -13.258 1.00 0.00 H new ATOM 1680 N ASP A 109 -5.648 6.921 -9.646 1.00 0.00 N ATOM 1681 CA ASP A 109 -6.965 7.082 -8.966 1.00 0.00 C ATOM 1682 C ASP A 109 -6.903 6.446 -7.575 1.00 0.00 C ATOM 1683 O ASP A 109 -7.508 6.917 -6.632 1.00 0.00 O ATOM 1684 CB ASP A 109 -7.963 6.330 -9.848 1.00 0.00 C ATOM 1685 CG ASP A 109 -8.123 7.062 -11.181 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -8.941 7.965 -11.245 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -7.425 6.708 -12.116 1.00 0.00 O ATOM 0 H ASP A 109 -5.692 6.617 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.245 8.128 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.616 5.311 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.927 6.257 -9.344 1.00 0.00 H new ATOM 1692 N SER A 110 -6.170 5.374 -7.448 1.00 0.00 N ATOM 1693 CA SER A 110 -6.054 4.690 -6.128 1.00 0.00 C ATOM 1694 C SER A 110 -5.418 5.629 -5.101 1.00 0.00 C ATOM 1695 O SER A 110 -6.041 6.009 -4.129 1.00 0.00 O ATOM 1696 CB SER A 110 -5.146 3.493 -6.389 1.00 0.00 C ATOM 1697 OG SER A 110 -5.795 2.307 -5.951 1.00 0.00 O ATOM 0 H SER A 110 -5.643 4.940 -8.206 1.00 0.00 H new ATOM 0 HA SER A 110 -7.023 4.392 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.914 3.423 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.199 3.619 -5.863 1.00 0.00 H new ATOM 0 HG SER A 110 -5.425 1.536 -6.430 1.00 0.00 H new ATOM 1703 N GLU A 111 -4.183 6.006 -5.313 1.00 0.00 N ATOM 1704 CA GLU A 111 -3.505 6.927 -4.354 1.00 0.00 C ATOM 1705 C GLU A 111 -4.483 8.005 -3.903 1.00 0.00 C ATOM 1706 O GLU A 111 -4.570 8.337 -2.737 1.00 0.00 O ATOM 1707 CB GLU A 111 -2.360 7.554 -5.145 1.00 0.00 C ATOM 1708 CG GLU A 111 -1.027 7.110 -4.549 1.00 0.00 C ATOM 1709 CD GLU A 111 -0.945 7.553 -3.086 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -1.834 8.267 -2.651 1.00 0.00 O ATOM 1711 OE2 GLU A 111 0.005 7.169 -2.424 1.00 0.00 O ATOM 0 H GLU A 111 -3.615 5.715 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.148 6.411 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.420 7.255 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.438 8.641 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.930 6.027 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.202 7.541 -5.117 1.00 0.00 H new ATOM 1718 N LEU A 112 -5.236 8.538 -4.822 1.00 0.00 N ATOM 1719 CA LEU A 112 -6.234 9.583 -4.443 1.00 0.00 C ATOM 1720 C LEU A 112 -7.171 8.980 -3.409 1.00 0.00 C ATOM 1721 O LEU A 112 -7.320 9.484 -2.314 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.017 9.943 -5.715 1.00 0.00 C ATOM 1723 CG LEU A 112 -6.116 9.871 -6.946 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -6.746 10.668 -8.087 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -4.734 10.449 -6.622 1.00 0.00 C ATOM 0 H LEU A 112 -5.207 8.300 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.761 10.473 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.859 9.261 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.431 10.947 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.005 8.828 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.103 10.616 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.723 10.249 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.862 11.708 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.100 10.393 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.838 11.490 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.280 9.876 -5.813 1.00 0.00 H new ATOM 1737 N GLU A 113 -7.783 7.877 -3.741 1.00 0.00 N ATOM 1738 CA GLU A 113 -8.682 7.214 -2.766 1.00 0.00 C ATOM 1739 C GLU A 113 -7.860 6.799 -1.560 1.00 0.00 C ATOM 1740 O GLU A 113 -8.350 6.713 -0.451 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.213 5.967 -3.478 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.513 6.314 -4.202 1.00 0.00 C ATOM 1743 CD GLU A 113 -10.612 5.506 -5.497 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -10.455 4.298 -5.433 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -10.843 6.110 -6.531 1.00 0.00 O ATOM 0 H GLU A 113 -7.697 7.410 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 113 -9.493 7.863 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -8.474 5.598 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.387 5.169 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.367 6.097 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.544 7.381 -4.424 1.00 0.00 H new ATOM 1752 N ALA A 114 -6.605 6.504 -1.783 1.00 0.00 N ATOM 1753 CA ALA A 114 -5.744 6.051 -0.655 1.00 0.00 C ATOM 1754 C ALA A 114 -5.707 7.107 0.439 1.00 0.00 C ATOM 1755 O ALA A 114 -5.465 6.812 1.592 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.362 5.802 -1.248 1.00 0.00 C ATOM 0 H ALA A 114 -6.144 6.557 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.128 5.143 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.684 5.466 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.430 5.036 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.982 6.725 -1.685 1.00 0.00 H new ATOM 1762 N VAL A 115 -5.972 8.332 0.098 1.00 0.00 N ATOM 1763 CA VAL A 115 -5.981 9.393 1.140 1.00 0.00 C ATOM 1764 C VAL A 115 -7.396 9.948 1.286 1.00 0.00 C ATOM 1765 O VAL A 115 -7.793 10.390 2.345 1.00 0.00 O ATOM 1766 CB VAL A 115 -4.999 10.488 0.682 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -3.679 10.329 1.437 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.729 10.386 -0.825 1.00 0.00 C ATOM 0 H VAL A 115 -6.182 8.645 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.676 9.004 2.112 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.443 11.461 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.981 11.102 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.859 10.424 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.255 9.347 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.033 11.170 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.297 9.411 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.665 10.504 -1.371 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.169 9.911 0.237 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.565 10.417 0.334 1.00 0.00 C ATOM 1780 C LEU A 116 -10.357 9.517 1.284 1.00 0.00 C ATOM 1781 O LEU A 116 -11.396 9.886 1.787 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.125 10.325 -1.086 1.00 0.00 C ATOM 1783 CG LEU A 116 -9.535 11.443 -1.945 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -10.121 11.364 -3.356 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -9.885 12.798 -1.328 1.00 0.00 C ATOM 0 H LEU A 116 -7.896 9.554 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.621 11.436 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.885 9.354 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.212 10.404 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 116 -8.452 11.331 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.701 12.161 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.876 10.398 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.204 11.476 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.465 13.596 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.968 12.908 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.472 12.857 -0.321 1.00 0.00 H new