USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 851 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 97 TYR OH : rot -117:sc= 0.136 USER MOD Set 1.2: A 118 GLN : amide:sc= -3.44! C(o=-3.3!,f=-3.6!) USER MOD Set 2.1: A 62 ASN : amide:sc= -4.41! C(o=-4.4!,f=-8.4!) USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 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 100:sc= 1.05 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.57! K(o=-2.6!,f=-0.96) USER MOD Single : A 38 THR OG1 : rot -84:sc= -6.41! USER MOD Single : A 40 SER OG : rot 21:sc= 0.724 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -4.25! C(o=-4.2!,f=-6.8!) USER MOD Single : A 69 TYR OH : rot 15:sc= -0.603 USER MOD Single : A 79 ASN : amide:sc= -9.28! C(o=-9.3!,f=-5.2!) USER MOD Single : A 86 THR OG1 : rot -143:sc= 0.991 USER MOD Single : A 88 TYR OH : rot 126:sc= 0.174 USER MOD Single : A 90 SER OG : rot -90:sc= -0.748 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -140:sc= -1.4! USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.51! K(o=-2.5!,f=-1.7) USER MOD Single : A 104 THR OG1 : rot -58:sc= 1.2 USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= -1.74 (180deg=-3.55!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0719 USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 5.382 10.552 3.804 1.00 0.00 N ATOM 133 CA LEU A 9 4.347 10.900 2.789 1.00 0.00 C ATOM 134 C LEU A 9 4.575 10.083 1.512 1.00 0.00 C ATOM 135 O LEU A 9 5.129 10.576 0.540 1.00 0.00 O ATOM 136 CB LEU A 9 4.559 12.392 2.515 1.00 0.00 C ATOM 137 CG LEU A 9 3.236 13.148 2.663 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.891 13.299 4.146 1.00 0.00 C ATOM 139 CD2 LEU A 9 3.374 14.539 2.036 1.00 0.00 C ATOM 0 HA LEU A 9 3.334 10.686 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.297 12.796 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.956 12.532 1.510 1.00 0.00 H new ATOM 0 HG LEU A 9 2.445 12.591 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.949 13.838 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.796 12.312 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.682 13.855 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.433 15.080 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.167 15.089 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.620 14.439 0.979 1.00 0.00 H new ATOM 151 N ARG A 10 4.177 8.834 1.497 1.00 0.00 N ATOM 152 CA ARG A 10 4.412 8.022 0.271 1.00 0.00 C ATOM 153 C ARG A 10 3.472 6.826 0.171 1.00 0.00 C ATOM 154 O ARG A 10 2.723 6.520 1.069 1.00 0.00 O ATOM 155 CB ARG A 10 5.851 7.527 0.406 1.00 0.00 C ATOM 156 CG ARG A 10 6.491 7.338 -0.983 1.00 0.00 C ATOM 157 CD ARG A 10 6.297 8.592 -1.848 1.00 0.00 C ATOM 158 NE ARG A 10 6.578 8.157 -3.249 1.00 0.00 N ATOM 159 CZ ARG A 10 5.609 7.816 -4.060 1.00 0.00 C ATOM 160 NH1 ARG A 10 4.361 7.857 -3.673 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.895 7.417 -5.268 1.00 0.00 N ATOM 0 H ARG A 10 3.709 8.353 2.265 1.00 0.00 H new ATOM 0 HA ARG A 10 4.235 8.618 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.434 8.241 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.867 6.583 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.555 7.128 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.046 6.476 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.283 8.981 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.974 9.389 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 10 7.542 8.125 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.130 8.158 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.618 7.588 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.867 7.373 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.147 7.149 -5.907 1.00 0.00 H new ATOM 175 N VAL A 11 3.551 6.134 -0.929 1.00 0.00 N ATOM 176 CA VAL A 11 2.721 4.918 -1.131 1.00 0.00 C ATOM 177 C VAL A 11 3.664 3.722 -1.328 1.00 0.00 C ATOM 178 O VAL A 11 4.102 3.427 -2.425 1.00 0.00 O ATOM 179 CB VAL A 11 1.892 5.195 -2.389 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.123 6.507 -2.213 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.821 5.314 -3.597 1.00 0.00 C ATOM 0 H VAL A 11 4.166 6.364 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 11 2.068 4.690 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 11 1.190 4.376 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.533 6.705 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.460 6.428 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.828 7.323 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.231 5.511 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.522 6.133 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.373 4.383 -3.724 1.00 0.00 H new ATOM 191 N LEU A 12 4.003 3.049 -0.265 1.00 0.00 N ATOM 192 CA LEU A 12 4.937 1.891 -0.379 1.00 0.00 C ATOM 193 C LEU A 12 4.173 0.646 -0.840 1.00 0.00 C ATOM 194 O LEU A 12 3.597 -0.067 -0.048 1.00 0.00 O ATOM 195 CB LEU A 12 5.505 1.704 1.034 1.00 0.00 C ATOM 196 CG LEU A 12 5.851 3.074 1.638 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.621 2.888 2.946 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.714 3.862 0.651 1.00 0.00 C ATOM 0 H LEU A 12 3.674 3.250 0.680 1.00 0.00 H new ATOM 0 HA LEU A 12 5.729 2.057 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.778 1.191 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.395 1.076 0.998 1.00 0.00 H new ATOM 0 HG LEU A 12 4.929 3.619 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.863 3.864 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.008 2.329 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.542 2.339 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.960 4.834 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.633 3.311 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.165 4.003 -0.280 1.00 0.00 H new ATOM 210 N VAL A 13 4.171 0.375 -2.116 1.00 0.00 N ATOM 211 CA VAL A 13 3.440 -0.824 -2.624 1.00 0.00 C ATOM 212 C VAL A 13 4.444 -1.887 -3.040 1.00 0.00 C ATOM 213 O VAL A 13 5.514 -1.583 -3.523 1.00 0.00 O ATOM 214 CB VAL A 13 2.642 -0.323 -3.832 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.542 -1.327 -4.174 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.004 1.029 -3.503 1.00 0.00 C ATOM 0 H VAL A 13 4.643 0.930 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 13 2.787 -1.271 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 13 3.314 -0.213 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.976 -0.968 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.991 -2.291 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.873 -1.439 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.437 1.383 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.336 0.918 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.784 1.750 -3.261 1.00 0.00 H new ATOM 226 N VAL A 14 4.130 -3.133 -2.839 1.00 0.00 N ATOM 227 CA VAL A 14 5.108 -4.181 -3.207 1.00 0.00 C ATOM 228 C VAL A 14 4.433 -5.527 -3.496 1.00 0.00 C ATOM 229 O VAL A 14 3.445 -5.903 -2.887 1.00 0.00 O ATOM 230 CB VAL A 14 6.008 -4.286 -1.984 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.803 -2.991 -1.812 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.149 -4.533 -0.741 1.00 0.00 C ATOM 0 H VAL A 14 3.251 -3.465 -2.442 1.00 0.00 H new ATOM 0 HA VAL A 14 5.647 -3.929 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 14 6.703 -5.115 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.445 -3.072 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.417 -2.820 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.115 -2.156 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.792 -4.609 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.452 -3.705 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.591 -5.461 -0.863 1.00 0.00 H new ATOM 242 N GLU A 15 4.995 -6.251 -4.424 1.00 0.00 N ATOM 243 CA GLU A 15 4.467 -7.593 -4.803 1.00 0.00 C ATOM 244 C GLU A 15 5.462 -8.256 -5.768 1.00 0.00 C ATOM 245 O GLU A 15 6.086 -7.599 -6.573 1.00 0.00 O ATOM 246 CB GLU A 15 3.126 -7.339 -5.492 1.00 0.00 C ATOM 247 CG GLU A 15 3.365 -6.576 -6.791 1.00 0.00 C ATOM 248 CD GLU A 15 3.494 -7.581 -7.931 1.00 0.00 C ATOM 249 OE1 GLU A 15 3.706 -8.746 -7.638 1.00 0.00 O ATOM 250 OE2 GLU A 15 3.379 -7.173 -9.074 1.00 0.00 O ATOM 0 H GLU A 15 5.820 -5.961 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 15 4.337 -8.253 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.625 -8.285 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.469 -6.767 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.540 -5.890 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.270 -5.973 -6.714 1.00 0.00 H new ATOM 257 N ASP A 16 5.630 -9.543 -5.665 1.00 0.00 N ATOM 258 CA ASP A 16 6.602 -10.275 -6.535 1.00 0.00 C ATOM 259 C ASP A 16 6.424 -9.953 -8.022 1.00 0.00 C ATOM 260 O ASP A 16 5.877 -10.731 -8.777 1.00 0.00 O ATOM 261 CB ASP A 16 6.307 -11.750 -6.287 1.00 0.00 C ATOM 262 CG ASP A 16 4.915 -12.086 -6.826 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.037 -11.247 -6.706 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.752 -13.174 -7.353 1.00 0.00 O ATOM 0 H ASP A 16 5.127 -10.134 -5.003 1.00 0.00 H new ATOM 0 HA ASP A 16 7.626 -9.989 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.058 -12.370 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.359 -11.969 -5.220 1.00 0.00 H new ATOM 269 N GLU A 17 6.914 -8.830 -8.454 1.00 0.00 N ATOM 270 CA GLU A 17 6.807 -8.477 -9.906 1.00 0.00 C ATOM 271 C GLU A 17 7.196 -7.016 -10.144 1.00 0.00 C ATOM 272 O GLU A 17 7.115 -6.187 -9.260 1.00 0.00 O ATOM 273 CB GLU A 17 5.344 -8.701 -10.282 1.00 0.00 C ATOM 274 CG GLU A 17 5.228 -9.922 -11.194 1.00 0.00 C ATOM 275 CD GLU A 17 3.925 -10.663 -10.889 1.00 0.00 C ATOM 276 OE1 GLU A 17 3.009 -10.030 -10.388 1.00 0.00 O ATOM 277 OE2 GLU A 17 3.866 -11.850 -11.158 1.00 0.00 O ATOM 0 H GLU A 17 7.385 -8.137 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 17 7.480 -9.086 -10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.746 -8.848 -9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.949 -7.819 -10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.247 -9.612 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.080 -10.585 -11.043 1.00 0.00 H new ATOM 284 N SER A 18 7.612 -6.698 -11.342 1.00 0.00 N ATOM 285 CA SER A 18 8.000 -5.292 -11.654 1.00 0.00 C ATOM 286 C SER A 18 6.789 -4.519 -12.178 1.00 0.00 C ATOM 287 O SER A 18 6.812 -3.308 -12.288 1.00 0.00 O ATOM 288 CB SER A 18 9.066 -5.402 -12.744 1.00 0.00 C ATOM 289 OG SER A 18 10.034 -6.369 -12.361 1.00 0.00 O ATOM 0 H SER A 18 7.700 -7.353 -12.119 1.00 0.00 H new ATOM 0 HA SER A 18 8.368 -4.763 -10.775 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.606 -5.687 -13.690 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.544 -4.435 -12.900 1.00 0.00 H new ATOM 0 HG SER A 18 10.717 -6.442 -13.060 1.00 0.00 H new ATOM 295 N MET A 19 5.727 -5.207 -12.498 1.00 0.00 N ATOM 296 CA MET A 19 4.513 -4.506 -13.008 1.00 0.00 C ATOM 297 C MET A 19 4.037 -3.500 -11.962 1.00 0.00 C ATOM 298 O MET A 19 3.309 -2.573 -12.255 1.00 0.00 O ATOM 299 CB MET A 19 3.471 -5.607 -13.213 1.00 0.00 C ATOM 300 CG MET A 19 2.150 -4.983 -13.665 1.00 0.00 C ATOM 301 SD MET A 19 0.771 -5.998 -13.077 1.00 0.00 S ATOM 302 CE MET A 19 0.570 -6.997 -14.571 1.00 0.00 C ATOM 0 H MET A 19 5.647 -6.221 -12.429 1.00 0.00 H new ATOM 0 HA MET A 19 4.698 -3.957 -13.931 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.822 -6.320 -13.959 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.325 -6.161 -12.286 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.062 -3.969 -13.274 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.124 -4.909 -14.752 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.245 -7.707 -14.427 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.340 -6.347 -15.415 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.493 -7.541 -14.772 1.00 0.00 H new ATOM 312 N ILE A 20 4.459 -3.679 -10.742 1.00 0.00 N ATOM 313 CA ILE A 20 4.054 -2.741 -9.659 1.00 0.00 C ATOM 314 C ILE A 20 5.100 -1.642 -9.502 1.00 0.00 C ATOM 315 O ILE A 20 4.945 -0.724 -8.722 1.00 0.00 O ATOM 316 CB ILE A 20 3.999 -3.597 -8.399 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.806 -2.693 -7.178 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.300 -4.387 -8.249 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.330 -3.529 -5.991 1.00 0.00 C ATOM 0 H ILE A 20 5.071 -4.440 -10.447 1.00 0.00 H new ATOM 0 HA ILE A 20 3.101 -2.254 -9.868 1.00 0.00 H new ATOM 0 HB ILE A 20 3.164 -4.294 -8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.743 -2.193 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.078 -1.913 -7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.254 -4.996 -7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.436 -5.033 -9.116 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.139 -3.695 -8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.193 -2.884 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.383 -4.008 -6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.074 -4.292 -5.762 1.00 0.00 H new ATOM 331 N ALA A 21 6.168 -1.742 -10.235 1.00 0.00 N ATOM 332 CA ALA A 21 7.241 -0.724 -10.138 1.00 0.00 C ATOM 333 C ALA A 21 6.919 0.476 -11.041 1.00 0.00 C ATOM 334 O ALA A 21 6.533 1.528 -10.570 1.00 0.00 O ATOM 335 CB ALA A 21 8.483 -1.461 -10.622 1.00 0.00 C ATOM 0 H ALA A 21 6.344 -2.492 -10.903 1.00 0.00 H new ATOM 0 HA ALA A 21 7.363 -0.321 -9.133 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.341 -0.789 -10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.670 -2.321 -9.978 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.328 -1.801 -11.646 1.00 0.00 H new ATOM 341 N MET A 22 7.063 0.332 -12.333 1.00 0.00 N ATOM 342 CA MET A 22 6.750 1.475 -13.237 1.00 0.00 C ATOM 343 C MET A 22 5.318 1.945 -12.966 1.00 0.00 C ATOM 344 O MET A 22 4.980 3.098 -13.159 1.00 0.00 O ATOM 345 CB MET A 22 6.937 0.922 -14.666 1.00 0.00 C ATOM 346 CG MET A 22 5.619 0.949 -15.451 1.00 0.00 C ATOM 347 SD MET A 22 5.782 -0.070 -16.936 1.00 0.00 S ATOM 348 CE MET A 22 4.964 1.066 -18.084 1.00 0.00 C ATOM 0 H MET A 22 7.381 -0.519 -12.796 1.00 0.00 H new ATOM 0 HA MET A 22 7.391 2.343 -13.086 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.688 1.512 -15.191 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.312 -0.100 -14.617 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.805 0.577 -14.829 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.368 1.973 -15.726 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.952 0.628 -19.082 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.941 1.243 -17.753 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.506 2.011 -18.109 1.00 0.00 H new ATOM 358 N LEU A 23 4.487 1.059 -12.491 1.00 0.00 N ATOM 359 CA LEU A 23 3.086 1.440 -12.166 1.00 0.00 C ATOM 360 C LEU A 23 3.107 2.429 -10.994 1.00 0.00 C ATOM 361 O LEU A 23 2.112 3.033 -10.649 1.00 0.00 O ATOM 362 CB LEU A 23 2.415 0.110 -11.782 1.00 0.00 C ATOM 363 CG LEU A 23 1.042 0.349 -11.144 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.220 0.832 -9.704 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.264 1.393 -11.953 1.00 0.00 C ATOM 0 H LEU A 23 4.721 0.082 -12.313 1.00 0.00 H new ATOM 0 HA LEU A 23 2.553 1.928 -12.982 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.304 -0.514 -12.669 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.053 -0.435 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 23 0.481 -0.586 -11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.242 1.001 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.758 0.077 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.787 1.763 -9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.711 1.557 -11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.821 2.330 -11.968 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.128 1.035 -12.974 1.00 0.00 H new ATOM 377 N ILE A 24 4.248 2.604 -10.383 1.00 0.00 N ATOM 378 CA ILE A 24 4.346 3.553 -9.244 1.00 0.00 C ATOM 379 C ILE A 24 4.872 4.905 -9.739 1.00 0.00 C ATOM 380 O ILE A 24 4.291 5.940 -9.479 1.00 0.00 O ATOM 381 CB ILE A 24 5.307 2.873 -8.254 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.792 3.098 -6.832 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.733 3.431 -8.375 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.266 1.777 -6.268 1.00 0.00 C ATOM 0 H ILE A 24 5.117 2.128 -10.626 1.00 0.00 H new ATOM 0 HA ILE A 24 3.387 3.764 -8.770 1.00 0.00 H new ATOM 0 HB ILE A 24 5.344 1.809 -8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.592 3.483 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.000 3.846 -6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.383 2.926 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.105 3.262 -9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.724 4.501 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.898 1.935 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.454 1.411 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.071 1.042 -6.252 1.00 0.00 H new ATOM 396 N GLU A 25 5.962 4.903 -10.460 1.00 0.00 N ATOM 397 CA GLU A 25 6.507 6.192 -10.974 1.00 0.00 C ATOM 398 C GLU A 25 5.395 6.974 -11.669 1.00 0.00 C ATOM 399 O GLU A 25 5.319 8.182 -11.574 1.00 0.00 O ATOM 400 CB GLU A 25 7.601 5.805 -11.968 1.00 0.00 C ATOM 401 CG GLU A 25 8.964 5.923 -11.283 1.00 0.00 C ATOM 402 CD GLU A 25 9.798 6.992 -11.990 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.489 6.648 -12.934 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.729 8.139 -11.577 1.00 0.00 O ATOM 0 H GLU A 25 6.495 4.071 -10.713 1.00 0.00 H new ATOM 0 HA GLU A 25 6.902 6.825 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.445 4.786 -12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.562 6.455 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.834 6.184 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.482 4.964 -11.312 1.00 0.00 H new ATOM 411 N ASP A 26 4.522 6.291 -12.358 1.00 0.00 N ATOM 412 CA ASP A 26 3.405 6.996 -13.045 1.00 0.00 C ATOM 413 C ASP A 26 2.403 7.497 -11.996 1.00 0.00 C ATOM 414 O ASP A 26 1.847 8.572 -12.114 1.00 0.00 O ATOM 415 CB ASP A 26 2.785 5.942 -13.975 1.00 0.00 C ATOM 416 CG ASP A 26 1.712 5.137 -13.237 1.00 0.00 C ATOM 417 OD1 ASP A 26 0.574 5.579 -13.222 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.045 4.093 -12.705 1.00 0.00 O ATOM 0 H ASP A 26 4.534 5.278 -12.474 1.00 0.00 H new ATOM 0 HA ASP A 26 3.726 7.870 -13.611 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.347 6.430 -14.846 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.562 5.272 -14.343 1.00 0.00 H new ATOM 423 N THR A 27 2.189 6.729 -10.962 1.00 0.00 N ATOM 424 CA THR A 27 1.247 7.157 -9.892 1.00 0.00 C ATOM 425 C THR A 27 1.795 8.403 -9.199 1.00 0.00 C ATOM 426 O THR A 27 1.107 9.389 -9.027 1.00 0.00 O ATOM 427 CB THR A 27 1.202 5.991 -8.917 1.00 0.00 C ATOM 428 OG1 THR A 27 0.796 4.812 -9.598 1.00 0.00 O ATOM 429 CG2 THR A 27 0.219 6.301 -7.786 1.00 0.00 C ATOM 0 H THR A 27 2.628 5.821 -10.813 1.00 0.00 H new ATOM 0 HA THR A 27 0.258 7.402 -10.279 1.00 0.00 H new ATOM 0 HB THR A 27 2.195 5.837 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.584 4.271 -9.813 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.190 5.463 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.542 7.199 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.776 6.462 -8.202 1.00 0.00 H new ATOM 437 N LEU A 28 3.039 8.368 -8.805 1.00 0.00 N ATOM 438 CA LEU A 28 3.639 9.552 -8.134 1.00 0.00 C ATOM 439 C LEU A 28 3.733 10.698 -9.145 1.00 0.00 C ATOM 440 O LEU A 28 3.696 11.857 -8.789 1.00 0.00 O ATOM 441 CB LEU A 28 5.017 9.068 -7.652 1.00 0.00 C ATOM 442 CG LEU A 28 6.103 10.109 -7.936 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.192 10.008 -6.869 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.715 9.836 -9.312 1.00 0.00 C ATOM 0 H LEU A 28 3.664 7.570 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 28 3.057 9.933 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.979 8.862 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.270 8.131 -8.148 1.00 0.00 H new ATOM 0 HG LEU A 28 5.667 11.108 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.967 10.748 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.757 10.194 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.630 9.010 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.489 10.575 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.153 8.838 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.939 9.900 -10.075 1.00 0.00 H new ATOM 456 N CYS A 29 3.826 10.383 -10.408 1.00 0.00 N ATOM 457 CA CYS A 29 3.887 11.460 -11.435 1.00 0.00 C ATOM 458 C CYS A 29 2.560 12.226 -11.423 1.00 0.00 C ATOM 459 O CYS A 29 2.448 13.317 -11.947 1.00 0.00 O ATOM 460 CB CYS A 29 4.078 10.736 -12.771 1.00 0.00 C ATOM 461 SG CYS A 29 5.501 11.437 -13.640 1.00 0.00 S ATOM 0 H CYS A 29 3.862 9.431 -10.772 1.00 0.00 H new ATOM 0 HA CYS A 29 4.690 12.175 -11.255 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.232 9.670 -12.600 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.181 10.835 -13.382 1.00 0.00 H new ATOM 0 HG CYS A 29 5.664 10.821 -14.773 1.00 0.00 H new ATOM 467 N GLU A 30 1.557 11.647 -10.820 1.00 0.00 N ATOM 468 CA GLU A 30 0.227 12.303 -10.750 1.00 0.00 C ATOM 469 C GLU A 30 0.127 13.141 -9.469 1.00 0.00 C ATOM 470 O GLU A 30 -0.431 14.222 -9.465 1.00 0.00 O ATOM 471 CB GLU A 30 -0.767 11.131 -10.736 1.00 0.00 C ATOM 472 CG GLU A 30 -2.057 11.518 -10.004 1.00 0.00 C ATOM 473 CD GLU A 30 -2.921 10.270 -9.806 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.882 9.404 -10.666 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.603 10.200 -8.798 1.00 0.00 O ATOM 0 H GLU A 30 1.607 10.734 -10.368 1.00 0.00 H new ATOM 0 HA GLU A 30 0.036 12.986 -11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.999 10.834 -11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.312 10.269 -10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.820 11.967 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.604 12.266 -10.578 1.00 0.00 H new ATOM 482 N LEU A 31 0.662 12.648 -8.383 1.00 0.00 N ATOM 483 CA LEU A 31 0.597 13.412 -7.101 1.00 0.00 C ATOM 484 C LEU A 31 1.933 14.106 -6.819 1.00 0.00 C ATOM 485 O LEU A 31 1.973 15.208 -6.310 1.00 0.00 O ATOM 486 CB LEU A 31 0.318 12.366 -6.023 1.00 0.00 C ATOM 487 CG LEU A 31 -0.982 11.624 -6.333 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.653 10.189 -6.745 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.861 11.604 -5.080 1.00 0.00 C ATOM 0 H LEU A 31 1.141 11.749 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.168 14.188 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.145 11.658 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.247 12.848 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.511 12.126 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.576 9.654 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.018 10.201 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.130 9.687 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.790 11.076 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.333 11.095 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.087 12.627 -4.778 1.00 0.00 H new ATOM 501 N GLY A 32 3.028 13.466 -7.132 1.00 0.00 N ATOM 502 CA GLY A 32 4.357 14.088 -6.870 1.00 0.00 C ATOM 503 C GLY A 32 4.801 13.747 -5.446 1.00 0.00 C ATOM 504 O GLY A 32 5.414 14.547 -4.766 1.00 0.00 O ATOM 0 H GLY A 32 3.059 12.540 -7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.090 13.724 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.297 15.169 -6.996 1.00 0.00 H new ATOM 508 N HIS A 33 4.485 12.566 -4.988 1.00 0.00 N ATOM 509 CA HIS A 33 4.872 12.162 -3.603 1.00 0.00 C ATOM 510 C HIS A 33 6.398 12.055 -3.463 1.00 0.00 C ATOM 511 O HIS A 33 7.143 12.574 -4.270 1.00 0.00 O ATOM 512 CB HIS A 33 4.235 10.793 -3.411 1.00 0.00 C ATOM 513 CG HIS A 33 2.808 10.948 -2.962 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.760 10.305 -3.603 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.241 11.657 -1.932 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.627 10.635 -2.959 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.862 11.459 -1.933 1.00 0.00 N ATOM 0 H HIS A 33 3.973 11.859 -5.515 1.00 0.00 H new ATOM 0 HA HIS A 33 4.543 12.891 -2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.272 10.231 -4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.797 10.222 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.781 12.274 -1.229 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.354 10.278 -3.237 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.178 11.857 -1.289 1.00 0.00 H new ATOM 525 N GLU A 34 6.867 11.394 -2.430 1.00 0.00 N ATOM 526 CA GLU A 34 8.347 11.269 -2.229 1.00 0.00 C ATOM 527 C GLU A 34 8.928 10.066 -2.998 1.00 0.00 C ATOM 528 O GLU A 34 9.231 10.163 -4.171 1.00 0.00 O ATOM 529 CB GLU A 34 8.523 11.087 -0.719 1.00 0.00 C ATOM 530 CG GLU A 34 8.761 12.451 -0.062 1.00 0.00 C ATOM 531 CD GLU A 34 7.521 12.867 0.732 1.00 0.00 C ATOM 532 OE1 GLU A 34 6.507 13.140 0.110 1.00 0.00 O ATOM 533 OE2 GLU A 34 7.606 12.910 1.949 1.00 0.00 O ATOM 0 H GLU A 34 6.293 10.938 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 34 8.878 12.143 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.637 10.617 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.364 10.423 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.627 12.401 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.984 13.198 -0.824 1.00 0.00 H new ATOM 540 N VAL A 35 9.098 8.937 -2.347 1.00 0.00 N ATOM 541 CA VAL A 35 9.672 7.738 -3.045 1.00 0.00 C ATOM 542 C VAL A 35 8.913 6.472 -2.610 1.00 0.00 C ATOM 543 O VAL A 35 9.126 5.948 -1.534 1.00 0.00 O ATOM 544 CB VAL A 35 11.152 7.707 -2.615 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.628 6.267 -2.387 1.00 0.00 C ATOM 546 CG2 VAL A 35 12.002 8.345 -3.715 1.00 0.00 C ATOM 0 H VAL A 35 8.865 8.794 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 35 9.583 7.785 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 35 11.255 8.259 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.675 6.274 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.027 5.805 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.521 5.698 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.051 8.328 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.877 7.786 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.685 9.377 -3.868 1.00 0.00 H new ATOM 556 N ALA A 36 8.014 5.993 -3.432 1.00 0.00 N ATOM 557 CA ALA A 36 7.221 4.785 -3.059 1.00 0.00 C ATOM 558 C ALA A 36 8.053 3.509 -3.145 1.00 0.00 C ATOM 559 O ALA A 36 9.255 3.539 -3.328 1.00 0.00 O ATOM 560 CB ALA A 36 6.083 4.727 -4.073 1.00 0.00 C ATOM 0 H ALA A 36 7.795 6.388 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 36 6.870 4.854 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.453 3.862 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.486 5.636 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.495 4.641 -5.078 1.00 0.00 H new ATOM 566 N ALA A 37 7.405 2.382 -3.015 1.00 0.00 N ATOM 567 CA ALA A 37 8.131 1.085 -3.084 1.00 0.00 C ATOM 568 C ALA A 37 7.523 0.196 -4.168 1.00 0.00 C ATOM 569 O ALA A 37 6.368 0.328 -4.519 1.00 0.00 O ATOM 570 CB ALA A 37 7.943 0.455 -1.707 1.00 0.00 C ATOM 0 H ALA A 37 6.399 2.306 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 37 9.184 1.213 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.451 -0.509 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.364 1.112 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.880 0.311 -1.515 1.00 0.00 H new ATOM 576 N THR A 38 8.299 -0.705 -4.698 1.00 0.00 N ATOM 577 CA THR A 38 7.792 -1.611 -5.765 1.00 0.00 C ATOM 578 C THR A 38 8.282 -3.041 -5.528 1.00 0.00 C ATOM 579 O THR A 38 9.162 -3.284 -4.726 1.00 0.00 O ATOM 580 CB THR A 38 8.376 -1.053 -7.062 1.00 0.00 C ATOM 581 OG1 THR A 38 8.239 -2.022 -8.093 1.00 0.00 O ATOM 582 CG2 THR A 38 9.859 -0.722 -6.855 1.00 0.00 C ATOM 0 H THR A 38 9.273 -0.854 -4.435 1.00 0.00 H new ATOM 0 HA THR A 38 6.703 -1.652 -5.789 1.00 0.00 H new ATOM 0 HB THR A 38 7.843 -0.145 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.987 -2.654 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.276 -0.324 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.959 0.020 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.398 -1.627 -6.574 1.00 0.00 H new ATOM 590 N ALA A 39 7.707 -3.987 -6.220 1.00 0.00 N ATOM 591 CA ALA A 39 8.107 -5.412 -6.040 1.00 0.00 C ATOM 592 C ALA A 39 7.987 -5.784 -4.569 1.00 0.00 C ATOM 593 O ALA A 39 7.935 -4.931 -3.714 1.00 0.00 O ATOM 594 CB ALA A 39 9.561 -5.510 -6.488 1.00 0.00 C ATOM 0 H ALA A 39 6.971 -3.832 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 39 7.474 -6.087 -6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.907 -6.537 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.641 -5.211 -7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.176 -4.851 -5.875 1.00 0.00 H new ATOM 600 N SER A 40 7.923 -7.042 -4.261 1.00 0.00 N ATOM 601 CA SER A 40 7.795 -7.428 -2.832 1.00 0.00 C ATOM 602 C SER A 40 9.164 -7.397 -2.157 1.00 0.00 C ATOM 603 O SER A 40 10.099 -8.047 -2.582 1.00 0.00 O ATOM 604 CB SER A 40 7.207 -8.830 -2.829 1.00 0.00 C ATOM 605 OG SER A 40 8.140 -9.740 -3.395 1.00 0.00 O ATOM 0 H SER A 40 7.953 -7.814 -4.927 1.00 0.00 H new ATOM 0 HA SER A 40 7.157 -6.740 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.963 -9.131 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.277 -8.846 -3.398 1.00 0.00 H new ATOM 0 HG SER A 40 9.040 -9.355 -3.352 1.00 0.00 H new ATOM 611 N ARG A 41 9.285 -6.630 -1.109 1.00 0.00 N ATOM 612 CA ARG A 41 10.579 -6.528 -0.397 1.00 0.00 C ATOM 613 C ARG A 41 10.343 -6.283 1.092 1.00 0.00 C ATOM 614 O ARG A 41 9.639 -5.371 1.478 1.00 0.00 O ATOM 615 CB ARG A 41 11.277 -5.325 -1.028 1.00 0.00 C ATOM 616 CG ARG A 41 12.791 -5.520 -0.951 1.00 0.00 C ATOM 617 CD ARG A 41 13.345 -5.759 -2.356 1.00 0.00 C ATOM 618 NE ARG A 41 14.786 -6.076 -2.152 1.00 0.00 N ATOM 619 CZ ARG A 41 15.661 -5.752 -3.064 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.927 -6.579 -4.037 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.271 -4.599 -3.003 1.00 0.00 N ATOM 0 H ARG A 41 8.532 -6.066 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 41 11.171 -7.439 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.966 -5.213 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.990 -4.410 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.260 -4.641 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.027 -6.366 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.826 -6.580 -2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.220 -4.878 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 41 15.089 -6.546 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.451 -7.480 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.611 -6.325 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.063 -3.952 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.955 -4.346 -3.716 1.00 0.00 H new ATOM 635 N MET A 42 10.929 -7.085 1.935 1.00 0.00 N ATOM 636 CA MET A 42 10.737 -6.889 3.396 1.00 0.00 C ATOM 637 C MET A 42 11.356 -5.556 3.828 1.00 0.00 C ATOM 638 O MET A 42 10.841 -4.872 4.690 1.00 0.00 O ATOM 639 CB MET A 42 11.455 -8.068 4.052 1.00 0.00 C ATOM 640 CG MET A 42 10.906 -9.377 3.477 1.00 0.00 C ATOM 641 SD MET A 42 12.161 -10.672 3.613 1.00 0.00 S ATOM 642 CE MET A 42 11.107 -11.920 4.389 1.00 0.00 C ATOM 0 H MET A 42 11.531 -7.866 1.675 1.00 0.00 H new ATOM 0 HA MET A 42 9.685 -6.854 3.681 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.528 -8.000 3.873 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.310 -8.042 5.132 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.005 -9.672 4.014 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.624 -9.238 2.433 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.687 -12.825 4.569 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.728 -11.538 5.337 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.270 -12.150 3.730 1.00 0.00 H new ATOM 652 N GLN A 43 12.453 -5.177 3.225 1.00 0.00 N ATOM 653 CA GLN A 43 13.100 -3.884 3.590 1.00 0.00 C ATOM 654 C GLN A 43 12.078 -2.748 3.503 1.00 0.00 C ATOM 655 O GLN A 43 11.668 -2.191 4.501 1.00 0.00 O ATOM 656 CB GLN A 43 14.210 -3.689 2.554 1.00 0.00 C ATOM 657 CG GLN A 43 15.570 -3.727 3.251 1.00 0.00 C ATOM 658 CD GLN A 43 16.679 -3.845 2.203 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.457 -3.589 1.036 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.872 -4.223 2.573 1.00 0.00 N ATOM 0 H GLN A 43 12.928 -5.708 2.495 1.00 0.00 H new ATOM 0 HA GLN A 43 13.491 -3.887 4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.156 -4.470 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.079 -2.737 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.711 -2.824 3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.614 -4.571 3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.058 -4.438 3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.618 -4.304 1.883 1.00 0.00 H new ATOM 669 N GLU A 44 11.659 -2.405 2.316 1.00 0.00 N ATOM 670 CA GLU A 44 10.660 -1.311 2.174 1.00 0.00 C ATOM 671 C GLU A 44 9.385 -1.666 2.944 1.00 0.00 C ATOM 672 O GLU A 44 8.843 -0.855 3.667 1.00 0.00 O ATOM 673 CB GLU A 44 10.383 -1.214 0.675 1.00 0.00 C ATOM 674 CG GLU A 44 11.495 -0.398 0.011 1.00 0.00 C ATOM 675 CD GLU A 44 11.243 1.092 0.247 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.297 1.409 0.949 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.001 1.891 -0.278 1.00 0.00 O ATOM 0 H GLU A 44 11.964 -2.834 1.442 1.00 0.00 H new ATOM 0 HA GLU A 44 11.019 -0.364 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.335 -2.211 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.416 -0.742 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.464 -0.683 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.526 -0.608 -1.058 1.00 0.00 H new ATOM 684 N ALA A 45 8.909 -2.876 2.807 1.00 0.00 N ATOM 685 CA ALA A 45 7.679 -3.275 3.549 1.00 0.00 C ATOM 686 C ALA A 45 7.788 -2.787 4.996 1.00 0.00 C ATOM 687 O ALA A 45 6.894 -2.158 5.527 1.00 0.00 O ATOM 688 CB ALA A 45 7.663 -4.804 3.496 1.00 0.00 C ATOM 0 H ALA A 45 9.317 -3.601 2.217 1.00 0.00 H new ATOM 0 HA ALA A 45 6.769 -2.851 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.784 -5.177 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.630 -5.132 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.563 -5.194 3.971 1.00 0.00 H new ATOM 694 N LEU A 46 8.895 -3.071 5.622 1.00 0.00 N ATOM 695 CA LEU A 46 9.119 -2.633 7.034 1.00 0.00 C ATOM 696 C LEU A 46 8.864 -1.132 7.168 1.00 0.00 C ATOM 697 O LEU A 46 8.341 -0.666 8.160 1.00 0.00 O ATOM 698 CB LEU A 46 10.594 -2.947 7.305 1.00 0.00 C ATOM 699 CG LEU A 46 10.932 -2.657 8.769 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.067 -3.530 9.678 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.410 -2.969 9.020 1.00 0.00 C ATOM 0 H LEU A 46 9.667 -3.596 5.212 1.00 0.00 H new ATOM 0 HA LEU A 46 8.452 -3.133 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.799 -3.993 7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.228 -2.347 6.652 1.00 0.00 H new ATOM 0 HG LEU A 46 10.738 -1.606 8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.309 -3.322 10.720 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.014 -3.310 9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.260 -4.581 9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.653 -2.763 10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.602 -4.020 8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.028 -2.346 8.373 1.00 0.00 H new ATOM 713 N ASP A 47 9.238 -0.371 6.179 1.00 0.00 N ATOM 714 CA ASP A 47 9.025 1.098 6.248 1.00 0.00 C ATOM 715 C ASP A 47 7.541 1.427 6.054 1.00 0.00 C ATOM 716 O ASP A 47 7.087 2.501 6.393 1.00 0.00 O ATOM 717 CB ASP A 47 9.866 1.676 5.110 1.00 0.00 C ATOM 718 CG ASP A 47 11.352 1.503 5.433 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.660 0.706 6.306 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.157 2.169 4.805 1.00 0.00 O ATOM 0 H ASP A 47 9.683 -0.705 5.324 1.00 0.00 H new ATOM 0 HA ASP A 47 9.314 1.514 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.626 1.172 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.634 2.732 4.972 1.00 0.00 H new ATOM 725 N ILE A 48 6.779 0.510 5.517 1.00 0.00 N ATOM 726 CA ILE A 48 5.329 0.778 5.313 1.00 0.00 C ATOM 727 C ILE A 48 4.536 0.253 6.510 1.00 0.00 C ATOM 728 O ILE A 48 3.413 0.621 6.722 1.00 0.00 O ATOM 729 CB ILE A 48 4.911 0.054 4.006 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.175 -1.261 4.328 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.138 -0.250 3.151 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.224 -2.212 3.125 1.00 0.00 C ATOM 0 H ILE A 48 7.099 -0.409 5.212 1.00 0.00 H new ATOM 0 HA ILE A 48 5.128 1.846 5.229 1.00 0.00 H new ATOM 0 HB ILE A 48 4.241 0.713 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.632 -1.738 5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.138 -1.050 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.828 -0.758 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.643 0.681 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.821 -0.891 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.700 -3.136 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.745 -1.739 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.262 -2.438 2.882 1.00 0.00 H new ATOM 744 N ALA A 49 5.092 -0.629 7.281 1.00 0.00 N ATOM 745 CA ALA A 49 4.323 -1.158 8.431 1.00 0.00 C ATOM 746 C ALA A 49 4.639 -0.374 9.709 1.00 0.00 C ATOM 747 O ALA A 49 3.805 0.334 10.238 1.00 0.00 O ATOM 748 CB ALA A 49 4.754 -2.617 8.565 1.00 0.00 C ATOM 0 H ALA A 49 6.034 -1.003 7.168 1.00 0.00 H new ATOM 0 HA ALA A 49 3.248 -1.066 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.225 -3.078 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.517 -3.152 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.828 -2.664 8.746 1.00 0.00 H new ATOM 754 N ARG A 50 5.833 -0.510 10.215 1.00 0.00 N ATOM 755 CA ARG A 50 6.208 0.210 11.467 1.00 0.00 C ATOM 756 C ARG A 50 5.918 1.710 11.345 1.00 0.00 C ATOM 757 O ARG A 50 5.768 2.403 12.332 1.00 0.00 O ATOM 758 CB ARG A 50 7.710 -0.030 11.618 1.00 0.00 C ATOM 759 CG ARG A 50 8.458 0.783 10.563 1.00 0.00 C ATOM 760 CD ARG A 50 9.800 0.117 10.263 1.00 0.00 C ATOM 761 NE ARG A 50 10.793 0.902 11.045 1.00 0.00 N ATOM 762 CZ ARG A 50 11.692 1.616 10.428 1.00 0.00 C ATOM 763 NH1 ARG A 50 11.325 2.598 9.651 1.00 0.00 N ATOM 764 NH2 ARG A 50 12.956 1.345 10.585 1.00 0.00 N ATOM 0 H ARG A 50 6.569 -1.091 9.814 1.00 0.00 H new ATOM 0 HA ARG A 50 5.640 -0.146 12.326 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.038 0.259 12.617 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.934 -1.091 11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.863 0.852 9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.617 1.801 10.918 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.798 -0.931 10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.026 0.143 9.197 1.00 0.00 H new ATOM 0 HE ARG A 50 10.770 0.881 12.065 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.334 2.807 9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.029 3.157 9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.241 0.575 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.661 1.903 10.103 1.00 0.00 H new ATOM 778 N LYS A 51 5.850 2.221 10.145 1.00 0.00 N ATOM 779 CA LYS A 51 5.585 3.678 9.964 1.00 0.00 C ATOM 780 C LYS A 51 4.198 4.060 10.502 1.00 0.00 C ATOM 781 O LYS A 51 4.013 5.133 11.041 1.00 0.00 O ATOM 782 CB LYS A 51 5.670 3.909 8.453 1.00 0.00 C ATOM 783 CG LYS A 51 5.253 5.343 8.110 1.00 0.00 C ATOM 784 CD LYS A 51 5.868 6.332 9.103 1.00 0.00 C ATOM 785 CE LYS A 51 7.361 6.493 8.815 1.00 0.00 C ATOM 786 NZ LYS A 51 7.705 7.841 9.350 1.00 0.00 N ATOM 0 H LYS A 51 5.967 1.692 9.281 1.00 0.00 H new ATOM 0 HA LYS A 51 6.298 4.293 10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.687 3.726 8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.024 3.201 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.573 5.589 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.166 5.427 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.367 7.297 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.721 5.976 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.945 5.712 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.568 6.426 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.715 8.030 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.137 8.563 8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.503 7.872 10.370 1.00 0.00 H new ATOM 800 N GLY A 52 3.220 3.201 10.361 1.00 0.00 N ATOM 801 CA GLY A 52 1.854 3.544 10.868 1.00 0.00 C ATOM 802 C GLY A 52 1.522 4.974 10.439 1.00 0.00 C ATOM 803 O GLY A 52 0.805 5.693 11.106 1.00 0.00 O ATOM 0 H GLY A 52 3.305 2.285 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.116 2.848 10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.820 3.457 11.954 1.00 0.00 H new ATOM 807 N GLN A 53 2.071 5.383 9.332 1.00 0.00 N ATOM 808 CA GLN A 53 1.846 6.769 8.821 1.00 0.00 C ATOM 809 C GLN A 53 2.524 6.907 7.446 1.00 0.00 C ATOM 810 O GLN A 53 2.968 7.961 7.044 1.00 0.00 O ATOM 811 CB GLN A 53 2.518 7.653 9.878 1.00 0.00 C ATOM 812 CG GLN A 53 2.766 9.058 9.330 1.00 0.00 C ATOM 813 CD GLN A 53 1.551 9.532 8.532 1.00 0.00 C ATOM 814 OE1 GLN A 53 0.448 9.067 8.746 1.00 0.00 O ATOM 815 NE2 GLN A 53 1.709 10.444 7.614 1.00 0.00 N ATOM 0 H GLN A 53 2.677 4.808 8.747 1.00 0.00 H new ATOM 0 HA GLN A 53 0.798 7.035 8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.888 7.710 10.766 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.463 7.205 10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.963 9.747 10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.651 9.058 8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.635 10.833 7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.907 10.769 7.074 1.00 0.00 H new ATOM 824 N PHE A 54 2.597 5.817 6.738 1.00 0.00 N ATOM 825 CA PHE A 54 3.240 5.789 5.388 1.00 0.00 C ATOM 826 C PHE A 54 2.201 6.055 4.304 1.00 0.00 C ATOM 827 O PHE A 54 2.390 5.715 3.159 1.00 0.00 O ATOM 828 CB PHE A 54 3.785 4.362 5.264 1.00 0.00 C ATOM 829 CG PHE A 54 2.655 3.372 5.470 1.00 0.00 C ATOM 830 CD1 PHE A 54 1.880 2.967 4.380 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.370 2.868 6.750 1.00 0.00 C ATOM 832 CE1 PHE A 54 0.829 2.065 4.564 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.319 1.964 6.927 1.00 0.00 C ATOM 834 CZ PHE A 54 0.549 1.563 5.836 1.00 0.00 C ATOM 0 H PHE A 54 2.228 4.917 7.044 1.00 0.00 H new ATOM 0 HA PHE A 54 4.016 6.546 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.236 4.217 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.569 4.195 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.094 3.352 3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.963 3.179 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.231 1.755 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.103 1.575 7.911 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.263 0.865 5.975 1.00 0.00 H new ATOM 844 N ASP A 55 1.111 6.665 4.658 1.00 0.00 N ATOM 845 CA ASP A 55 0.062 6.971 3.649 1.00 0.00 C ATOM 846 C ASP A 55 -0.567 5.696 3.078 1.00 0.00 C ATOM 847 O ASP A 55 -1.724 5.430 3.307 1.00 0.00 O ATOM 848 CB ASP A 55 0.789 7.738 2.544 1.00 0.00 C ATOM 849 CG ASP A 55 0.221 9.155 2.445 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.322 9.625 3.432 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.339 9.747 1.385 1.00 0.00 O ATOM 0 H ASP A 55 0.898 6.968 5.608 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.755 7.540 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.857 7.777 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.673 7.221 1.591 1.00 0.00 H new ATOM 856 N ILE A 56 0.171 4.928 2.309 1.00 0.00 N ATOM 857 CA ILE A 56 -0.429 3.697 1.690 1.00 0.00 C ATOM 858 C ILE A 56 0.585 2.542 1.579 1.00 0.00 C ATOM 859 O ILE A 56 1.770 2.762 1.428 1.00 0.00 O ATOM 860 CB ILE A 56 -0.843 4.172 0.298 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.664 5.468 0.443 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.661 3.078 -0.386 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.625 5.644 -0.733 1.00 0.00 C ATOM 0 H ILE A 56 1.152 5.096 2.084 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.250 3.300 2.287 1.00 0.00 H new ATOM 0 HB ILE A 56 0.034 4.377 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.227 5.443 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.992 6.324 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.958 3.413 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.058 2.174 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.551 2.865 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.192 6.566 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.058 5.693 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.312 4.799 -0.771 1.00 0.00 H new ATOM 875 N ALA A 57 0.128 1.303 1.649 1.00 0.00 N ATOM 876 CA ALA A 57 1.093 0.156 1.542 1.00 0.00 C ATOM 877 C ALA A 57 0.383 -1.102 1.044 1.00 0.00 C ATOM 878 O ALA A 57 -0.695 -1.417 1.488 1.00 0.00 O ATOM 879 CB ALA A 57 1.617 -0.067 2.957 1.00 0.00 C ATOM 0 H ALA A 57 -0.851 1.044 1.773 1.00 0.00 H new ATOM 0 HA ALA A 57 1.894 0.373 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.329 -0.892 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.112 0.838 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.785 -0.307 3.619 1.00 0.00 H new ATOM 885 N ILE A 58 0.961 -1.836 0.129 1.00 0.00 N ATOM 886 CA ILE A 58 0.245 -3.052 -0.353 1.00 0.00 C ATOM 887 C ILE A 58 1.176 -4.239 -0.630 1.00 0.00 C ATOM 888 O ILE A 58 1.682 -4.400 -1.723 1.00 0.00 O ATOM 889 CB ILE A 58 -0.423 -2.606 -1.651 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.304 -1.389 -1.372 1.00 0.00 C ATOM 891 CG2 ILE A 58 -1.281 -3.743 -2.209 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.457 -0.119 -1.452 1.00 0.00 C ATOM 0 H ILE A 58 1.871 -1.654 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.451 -3.410 0.406 1.00 0.00 H new ATOM 0 HB ILE A 58 0.342 -2.345 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.118 -1.342 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.759 -1.474 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.756 -3.420 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.651 -4.610 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.048 -4.010 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.084 0.750 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.342 -0.167 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.023 -0.033 -2.448 1.00 0.00 H new ATOM 904 N ILE A 59 1.325 -5.124 0.320 1.00 0.00 N ATOM 905 CA ILE A 59 2.131 -6.354 0.070 1.00 0.00 C ATOM 906 C ILE A 59 1.136 -7.329 -0.568 1.00 0.00 C ATOM 907 O ILE A 59 0.730 -8.316 0.013 1.00 0.00 O ATOM 908 CB ILE A 59 2.596 -6.848 1.455 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.932 -6.207 1.837 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.798 -8.364 1.420 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.760 -4.712 2.076 1.00 0.00 C ATOM 0 H ILE A 59 0.925 -5.049 1.255 1.00 0.00 H new ATOM 0 HA ILE A 59 3.005 -6.224 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 59 1.833 -6.575 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.326 -6.682 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.661 -6.373 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.127 -8.710 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.858 -8.850 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.554 -8.613 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.721 -4.274 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.388 -4.239 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.048 -4.553 2.885 1.00 0.00 H new ATOM 923 N ASP A 60 0.676 -6.992 -1.737 1.00 0.00 N ATOM 924 CA ASP A 60 -0.364 -7.816 -2.411 1.00 0.00 C ATOM 925 C ASP A 60 0.021 -9.303 -2.470 1.00 0.00 C ATOM 926 O ASP A 60 0.982 -9.731 -1.872 1.00 0.00 O ATOM 927 CB ASP A 60 -0.506 -7.174 -3.810 1.00 0.00 C ATOM 928 CG ASP A 60 -0.283 -8.203 -4.925 1.00 0.00 C ATOM 929 OD1 ASP A 60 0.795 -8.764 -4.971 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.193 -8.409 -5.711 1.00 0.00 O ATOM 0 H ASP A 60 0.979 -6.171 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.310 -7.818 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.499 -6.735 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.213 -6.362 -3.914 1.00 0.00 H new ATOM 935 N VAL A 61 -0.764 -10.078 -3.182 1.00 0.00 N ATOM 936 CA VAL A 61 -0.523 -11.546 -3.313 1.00 0.00 C ATOM 937 C VAL A 61 -0.358 -12.198 -1.925 1.00 0.00 C ATOM 938 O VAL A 61 0.721 -12.520 -1.473 1.00 0.00 O ATOM 939 CB VAL A 61 0.702 -11.699 -4.243 1.00 0.00 C ATOM 940 CG1 VAL A 61 2.010 -11.896 -3.467 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.479 -12.916 -5.144 1.00 0.00 C ATOM 0 H VAL A 61 -1.582 -9.742 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.368 -12.074 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 61 0.797 -10.780 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.838 -11.998 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.184 -11.034 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.939 -12.796 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.335 -13.039 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.366 -13.808 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.423 -12.768 -5.738 1.00 0.00 H new ATOM 951 N ASN A 62 -1.459 -12.395 -1.243 1.00 0.00 N ATOM 952 CA ASN A 62 -1.416 -13.024 0.111 1.00 0.00 C ATOM 953 C ASN A 62 -2.310 -14.265 0.134 1.00 0.00 C ATOM 954 O ASN A 62 -3.514 -14.171 0.254 1.00 0.00 O ATOM 955 CB ASN A 62 -1.960 -11.956 1.064 1.00 0.00 C ATOM 956 CG ASN A 62 -1.073 -10.713 0.993 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.561 -9.600 1.024 1.00 0.00 O ATOM 958 ND2 ASN A 62 0.220 -10.855 0.900 1.00 0.00 N ATOM 0 H ASN A 62 -2.392 -12.145 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.412 -13.343 0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.985 -11.701 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.985 -12.341 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.821 -10.032 0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.630 -11.789 0.874 1.00 0.00 H new ATOM 965 N LEU A 63 -1.729 -15.427 0.018 1.00 0.00 N ATOM 966 CA LEU A 63 -2.542 -16.677 0.029 1.00 0.00 C ATOM 967 C LEU A 63 -1.646 -17.869 0.368 1.00 0.00 C ATOM 968 O LEU A 63 -0.504 -17.703 0.749 1.00 0.00 O ATOM 969 CB LEU A 63 -3.100 -16.806 -1.389 1.00 0.00 C ATOM 970 CG LEU A 63 -4.602 -17.094 -1.330 1.00 0.00 C ATOM 971 CD1 LEU A 63 -5.319 -15.957 -0.597 1.00 0.00 C ATOM 972 CD2 LEU A 63 -5.153 -17.202 -2.754 1.00 0.00 C ATOM 0 H LEU A 63 -0.724 -15.566 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.340 -16.650 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.918 -15.887 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.587 -17.608 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.769 -18.030 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.388 -16.167 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.928 -15.874 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.152 -15.020 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.223 -17.407 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.982 -16.264 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.647 -18.012 -3.280 1.00 0.00 H new ATOM 984 N ASP A 64 -2.144 -19.068 0.248 1.00 0.00 N ATOM 985 CA ASP A 64 -1.294 -20.244 0.586 1.00 0.00 C ATOM 986 C ASP A 64 -0.683 -20.040 1.973 1.00 0.00 C ATOM 987 O ASP A 64 0.330 -20.619 2.311 1.00 0.00 O ATOM 988 CB ASP A 64 -0.199 -20.262 -0.482 1.00 0.00 C ATOM 989 CG ASP A 64 -0.357 -21.508 -1.356 1.00 0.00 C ATOM 990 OD1 ASP A 64 -1.347 -21.590 -2.064 1.00 0.00 O ATOM 991 OD2 ASP A 64 0.515 -22.360 -1.303 1.00 0.00 O ATOM 0 H ASP A 64 -3.090 -19.284 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.853 -21.179 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.261 -19.364 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.784 -20.258 -0.010 1.00 0.00 H new ATOM 996 N GLY A 65 -1.291 -19.207 2.773 1.00 0.00 N ATOM 997 CA GLY A 65 -0.749 -18.945 4.134 1.00 0.00 C ATOM 998 C GLY A 65 -0.647 -17.437 4.349 1.00 0.00 C ATOM 999 O GLY A 65 -0.371 -16.969 5.436 1.00 0.00 O ATOM 0 H GLY A 65 -2.142 -18.696 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.397 -19.390 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.232 -19.408 4.244 1.00 0.00 H new ATOM 1003 N GLU A 66 -0.865 -16.674 3.316 1.00 0.00 N ATOM 1004 CA GLU A 66 -0.780 -15.197 3.443 1.00 0.00 C ATOM 1005 C GLU A 66 0.501 -14.801 4.175 1.00 0.00 C ATOM 1006 O GLU A 66 0.515 -14.670 5.381 1.00 0.00 O ATOM 1007 CB GLU A 66 -2.018 -14.799 4.245 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.839 -13.389 4.812 1.00 0.00 C ATOM 1009 CD GLU A 66 -3.192 -12.861 5.293 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -4.162 -13.592 5.180 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.234 -11.738 5.769 1.00 0.00 O ATOM 0 H GLU A 66 -1.100 -17.014 2.384 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.749 -14.697 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.902 -14.835 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.180 -15.509 5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.128 -13.404 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.428 -12.728 4.049 1.00 0.00 H new ATOM 1018 N PRO A 67 1.538 -14.616 3.407 1.00 0.00 N ATOM 1019 CA PRO A 67 2.849 -14.217 3.975 1.00 0.00 C ATOM 1020 C PRO A 67 2.786 -12.770 4.478 1.00 0.00 C ATOM 1021 O PRO A 67 2.481 -12.514 5.626 1.00 0.00 O ATOM 1022 CB PRO A 67 3.806 -14.355 2.790 1.00 0.00 C ATOM 1023 CG PRO A 67 2.941 -14.219 1.577 1.00 0.00 C ATOM 1024 CD PRO A 67 1.586 -14.758 1.948 1.00 0.00 C ATOM 0 HA PRO A 67 3.157 -14.819 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.577 -13.585 2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.317 -15.318 2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.871 -13.176 1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.361 -14.774 0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.786 -14.196 1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.473 -15.799 1.644 1.00 0.00 H new ATOM 1032 N SER A 68 3.060 -11.822 3.624 1.00 0.00 N ATOM 1033 CA SER A 68 3.004 -10.391 4.045 1.00 0.00 C ATOM 1034 C SER A 68 4.025 -10.105 5.149 1.00 0.00 C ATOM 1035 O SER A 68 4.011 -9.061 5.764 1.00 0.00 O ATOM 1036 CB SER A 68 1.580 -10.189 4.563 1.00 0.00 C ATOM 1037 OG SER A 68 0.810 -9.525 3.570 1.00 0.00 O ATOM 0 H SER A 68 3.321 -11.976 2.650 1.00 0.00 H new ATOM 0 HA SER A 68 3.244 -9.716 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.129 -11.151 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.594 -9.602 5.481 1.00 0.00 H new ATOM 0 HG SER A 68 -0.104 -9.395 3.898 1.00 0.00 H new ATOM 1043 N TYR A 69 4.909 -11.025 5.399 1.00 0.00 N ATOM 1044 CA TYR A 69 5.935 -10.825 6.456 1.00 0.00 C ATOM 1045 C TYR A 69 5.258 -10.286 7.717 1.00 0.00 C ATOM 1046 O TYR A 69 4.053 -10.143 7.766 1.00 0.00 O ATOM 1047 CB TYR A 69 6.978 -9.817 5.910 1.00 0.00 C ATOM 1048 CG TYR A 69 6.700 -9.433 4.463 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.542 -10.418 3.480 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.599 -8.082 4.111 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.279 -10.048 2.154 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.340 -7.712 2.789 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.178 -8.696 1.809 1.00 0.00 C ATOM 1054 OH TYR A 69 5.919 -8.331 0.501 1.00 0.00 O ATOM 0 H TYR A 69 4.966 -11.918 4.910 1.00 0.00 H new ATOM 0 HA TYR A 69 6.431 -11.761 6.713 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.974 -8.920 6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.975 -10.251 5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.623 -11.462 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.722 -7.320 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.154 -10.808 1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.265 -6.668 2.524 1.00 0.00 H new ATOM 0 HH TYR A 69 5.601 -9.111 0.000 1.00 0.00 H new ATOM 1064 N PRO A 70 6.053 -10.022 8.708 1.00 0.00 N ATOM 1065 CA PRO A 70 5.515 -9.508 9.984 1.00 0.00 C ATOM 1066 C PRO A 70 5.212 -8.013 9.881 1.00 0.00 C ATOM 1067 O PRO A 70 4.631 -7.432 10.771 1.00 0.00 O ATOM 1068 CB PRO A 70 6.645 -9.759 10.971 1.00 0.00 C ATOM 1069 CG PRO A 70 7.894 -9.789 10.144 1.00 0.00 C ATOM 1070 CD PRO A 70 7.507 -10.181 8.739 1.00 0.00 C ATOM 0 HA PRO A 70 4.580 -9.986 10.275 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.691 -8.973 11.724 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.502 -10.700 11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.379 -8.813 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.608 -10.502 10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.993 -9.544 8.000 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.800 -11.207 8.517 1.00 0.00 H new ATOM 1078 N VAL A 71 5.590 -7.377 8.808 1.00 0.00 N ATOM 1079 CA VAL A 71 5.296 -5.920 8.697 1.00 0.00 C ATOM 1080 C VAL A 71 3.989 -5.707 7.927 1.00 0.00 C ATOM 1081 O VAL A 71 3.101 -5.014 8.383 1.00 0.00 O ATOM 1082 CB VAL A 71 6.496 -5.292 7.988 1.00 0.00 C ATOM 1083 CG1 VAL A 71 7.776 -5.668 8.736 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.579 -5.805 6.559 1.00 0.00 C ATOM 0 H VAL A 71 6.081 -7.792 8.016 1.00 0.00 H new ATOM 0 HA VAL A 71 5.155 -5.453 9.672 1.00 0.00 H new ATOM 0 HB VAL A 71 6.380 -4.208 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.635 -5.222 8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.721 -5.298 9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.885 -6.752 8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.436 -5.354 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.693 -6.889 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.667 -5.541 6.024 1.00 0.00 H new ATOM 1094 N ALA A 72 3.844 -6.323 6.783 1.00 0.00 N ATOM 1095 CA ALA A 72 2.581 -6.184 6.018 1.00 0.00 C ATOM 1096 C ALA A 72 1.442 -6.755 6.849 1.00 0.00 C ATOM 1097 O ALA A 72 0.389 -6.162 6.985 1.00 0.00 O ATOM 1098 CB ALA A 72 2.796 -7.037 4.780 1.00 0.00 C ATOM 0 H ALA A 72 4.551 -6.917 6.349 1.00 0.00 H new ATOM 0 HA ALA A 72 2.336 -5.151 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.907 -6.995 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.654 -6.660 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.981 -8.069 5.077 1.00 0.00 H new ATOM 1104 N ASP A 73 1.656 -7.906 7.425 1.00 0.00 N ATOM 1105 CA ASP A 73 0.597 -8.511 8.264 1.00 0.00 C ATOM 1106 C ASP A 73 0.322 -7.603 9.451 1.00 0.00 C ATOM 1107 O ASP A 73 -0.798 -7.209 9.704 1.00 0.00 O ATOM 1108 CB ASP A 73 1.163 -9.840 8.738 1.00 0.00 C ATOM 1109 CG ASP A 73 0.755 -10.952 7.771 1.00 0.00 C ATOM 1110 OD1 ASP A 73 0.141 -10.639 6.765 1.00 0.00 O ATOM 1111 OD2 ASP A 73 1.062 -12.097 8.055 1.00 0.00 O ATOM 0 H ASP A 73 2.517 -8.448 7.348 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.338 -8.647 7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.250 -9.781 8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.797 -10.065 9.740 1.00 0.00 H new ATOM 1116 N ILE A 74 1.345 -7.244 10.172 1.00 0.00 N ATOM 1117 CA ILE A 74 1.132 -6.330 11.326 1.00 0.00 C ATOM 1118 C ILE A 74 0.343 -5.134 10.821 1.00 0.00 C ATOM 1119 O ILE A 74 -0.607 -4.680 11.434 1.00 0.00 O ATOM 1120 CB ILE A 74 2.530 -5.900 11.777 1.00 0.00 C ATOM 1121 CG1 ILE A 74 3.095 -6.952 12.733 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.454 -4.552 12.504 1.00 0.00 C ATOM 1123 CD1 ILE A 74 4.470 -6.502 13.228 1.00 0.00 C ATOM 0 H ILE A 74 2.309 -7.540 10.015 1.00 0.00 H new ATOM 0 HA ILE A 74 0.587 -6.790 12.151 1.00 0.00 H new ATOM 0 HB ILE A 74 3.175 -5.803 10.903 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.420 -7.092 13.577 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.175 -7.914 12.227 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.453 -4.253 12.822 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.047 -3.798 11.831 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.808 -4.645 13.377 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.874 -7.251 13.909 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.142 -6.384 12.378 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.375 -5.550 13.750 1.00 0.00 H new ATOM 1135 N LEU A 75 0.730 -4.640 9.681 1.00 0.00 N ATOM 1136 CA LEU A 75 0.017 -3.491 9.092 1.00 0.00 C ATOM 1137 C LEU A 75 -1.460 -3.843 8.954 1.00 0.00 C ATOM 1138 O LEU A 75 -2.315 -2.984 8.864 1.00 0.00 O ATOM 1139 CB LEU A 75 0.674 -3.294 7.732 1.00 0.00 C ATOM 1140 CG LEU A 75 0.357 -1.890 7.238 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.947 -0.885 8.228 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.983 -1.684 5.858 1.00 0.00 C ATOM 0 H LEU A 75 1.516 -4.990 9.133 1.00 0.00 H new ATOM 0 HA LEU A 75 0.073 -2.584 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.752 -3.433 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.307 -4.036 7.023 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.721 -1.750 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.730 0.128 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.506 -1.042 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.026 -1.024 8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.757 -0.679 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.063 -1.810 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.575 -2.416 5.161 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.761 -5.111 8.958 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.172 -5.543 8.854 1.00 0.00 C ATOM 1156 C ALA A 76 -3.739 -5.772 10.259 1.00 0.00 C ATOM 1157 O ALA A 76 -4.915 -5.600 10.504 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.142 -6.847 8.054 1.00 0.00 C ATOM 0 H ALA A 76 -1.081 -5.868 9.030 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.804 -4.800 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.157 -7.226 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.709 -6.661 7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.538 -7.584 8.583 1.00 0.00 H new ATOM 1164 N GLU A 77 -2.903 -6.149 11.190 1.00 0.00 N ATOM 1165 CA GLU A 77 -3.394 -6.373 12.578 1.00 0.00 C ATOM 1166 C GLU A 77 -4.062 -5.099 13.103 1.00 0.00 C ATOM 1167 O GLU A 77 -4.888 -5.140 13.993 1.00 0.00 O ATOM 1168 CB GLU A 77 -2.146 -6.698 13.397 1.00 0.00 C ATOM 1169 CG GLU A 77 -1.799 -8.179 13.241 1.00 0.00 C ATOM 1170 CD GLU A 77 -1.839 -8.859 14.610 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.623 -8.430 15.440 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.084 -9.797 14.806 1.00 0.00 O ATOM 0 H GLU A 77 -1.906 -6.311 11.049 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.132 -7.173 12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.311 -6.082 13.065 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.317 -6.463 14.448 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.505 -8.659 12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.809 -8.287 12.798 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.707 -3.966 12.557 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.319 -2.689 13.019 1.00 0.00 C ATOM 1181 C ARG A 78 -4.904 -1.909 11.831 1.00 0.00 C ATOM 1182 O ARG A 78 -5.738 -1.042 11.996 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.178 -1.909 13.675 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.144 -1.523 12.617 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.748 -1.924 13.098 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.594 -1.259 14.423 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.011 -1.889 15.407 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -0.323 -3.129 15.664 1.00 0.00 N ATOM 1189 NH2 ARG A 78 0.884 -1.279 16.136 1.00 0.00 N ATOM 0 H ARG A 78 -3.019 -3.871 11.810 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.142 -2.859 13.713 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.568 -1.014 14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.710 -2.514 14.451 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.371 -2.019 11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.182 -0.450 12.431 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.656 -3.007 13.186 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.021 -1.595 12.399 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.944 -0.311 14.561 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.023 -3.607 15.096 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.133 -3.621 16.433 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.129 -0.309 15.937 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.338 -1.772 16.904 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.480 -2.222 10.638 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.012 -1.516 9.432 1.00 0.00 C ATOM 1205 C ASN A 79 -5.196 -0.017 9.693 1.00 0.00 C ATOM 1206 O ASN A 79 -6.259 0.431 10.074 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.375 -2.152 9.144 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.354 -3.648 9.464 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.800 -4.063 10.514 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -5.855 -4.481 8.595 1.00 0.00 N ATOM 0 H ASN A 79 -3.783 -2.941 10.443 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.319 -1.612 8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.144 -1.659 9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.637 -2.003 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.839 -5.481 8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.480 -4.133 7.712 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.179 0.762 9.461 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.297 2.239 9.664 1.00 0.00 C ATOM 1219 C VAL A 80 -4.731 2.871 8.324 1.00 0.00 C ATOM 1220 O VAL A 80 -5.130 2.150 7.431 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.889 2.685 10.098 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.252 1.614 10.989 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.002 2.906 8.867 1.00 0.00 C ATOM 0 H VAL A 80 -3.266 0.442 9.138 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.033 2.537 10.410 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.977 3.618 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.256 1.938 11.292 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.869 1.463 11.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.177 0.678 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.009 3.221 9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.924 1.976 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.442 3.678 8.235 1.00 0.00 H new ATOM 1233 N PRO A 81 -4.640 4.179 8.187 1.00 0.00 N ATOM 1234 CA PRO A 81 -5.037 4.803 6.897 1.00 0.00 C ATOM 1235 C PRO A 81 -4.076 4.324 5.810 1.00 0.00 C ATOM 1236 O PRO A 81 -2.874 4.433 5.946 1.00 0.00 O ATOM 1237 CB PRO A 81 -4.938 6.304 7.168 1.00 0.00 C ATOM 1238 CG PRO A 81 -3.991 6.424 8.315 1.00 0.00 C ATOM 1239 CD PRO A 81 -4.168 5.183 9.154 1.00 0.00 C ATOM 0 HA PRO A 81 -6.037 4.544 6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.570 6.840 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.912 6.726 7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.963 6.509 7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.202 7.320 8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.232 4.879 9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.891 5.340 9.955 1.00 0.00 H new ATOM 1247 N PHE A 82 -4.599 3.753 4.753 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.722 3.204 3.681 1.00 0.00 C ATOM 1249 C PHE A 82 -4.566 2.491 2.634 1.00 0.00 C ATOM 1250 O PHE A 82 -5.713 2.811 2.399 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.825 2.171 4.382 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.604 0.897 4.680 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.992 0.936 4.907 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.928 -0.326 4.745 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.692 -0.241 5.197 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.631 -1.502 5.041 1.00 0.00 C ATOM 1257 CZ PHE A 82 -5.011 -1.459 5.267 1.00 0.00 C ATOM 0 H PHE A 82 -5.600 3.645 4.589 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.152 3.990 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.967 1.939 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.435 2.590 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.519 1.877 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.863 -0.364 4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.758 -0.208 5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.106 -2.444 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.550 -2.367 5.495 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.990 1.494 2.045 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.694 0.682 1.034 1.00 0.00 C ATOM 1269 C ILE A 83 -3.976 -0.653 0.960 1.00 0.00 C ATOM 1270 O ILE A 83 -2.799 -0.734 1.264 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.529 1.438 -0.268 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.550 2.574 -0.371 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.705 0.488 -1.456 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.968 2.009 -0.269 1.00 0.00 C ATOM 0 H ILE A 83 -3.031 1.200 2.229 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.748 0.513 1.256 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.526 1.863 -0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.380 3.300 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.426 3.101 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.584 1.043 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.956 -0.302 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.701 0.046 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.690 2.822 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.136 1.300 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.090 1.502 0.688 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.657 -1.682 0.558 1.00 0.00 N ATOM 1287 CA PHE A 84 -4.010 -3.018 0.455 1.00 0.00 C ATOM 1288 C PHE A 84 -4.759 -3.861 -0.579 1.00 0.00 C ATOM 1289 O PHE A 84 -5.915 -3.612 -0.893 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.136 -3.635 1.852 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.924 -4.498 2.157 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.746 -3.914 2.651 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.982 -5.886 1.958 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.634 -4.718 2.941 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.867 -6.686 2.250 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.697 -6.102 2.740 1.00 0.00 C ATOM 0 H PHE A 84 -5.642 -1.658 0.294 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.968 -2.960 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.227 -2.846 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.043 -4.236 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.697 -2.847 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.886 -6.339 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.272 -4.269 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.914 -7.754 2.096 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.161 -6.719 2.964 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.129 -4.855 -1.122 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.842 -5.678 -2.123 1.00 0.00 C ATOM 1308 C ALA A 85 -4.212 -7.064 -2.241 1.00 0.00 C ATOM 1309 O ALA A 85 -3.081 -7.201 -2.644 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.703 -4.919 -3.441 1.00 0.00 C ATOM 0 H ALA A 85 -3.168 -5.130 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.884 -5.832 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.209 -5.470 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.154 -3.931 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.647 -4.813 -3.690 1.00 0.00 H new ATOM 1316 N THR A 86 -4.937 -8.096 -1.906 1.00 0.00 N ATOM 1317 CA THR A 86 -4.359 -9.469 -2.015 1.00 0.00 C ATOM 1318 C THR A 86 -5.346 -10.402 -2.725 1.00 0.00 C ATOM 1319 O THR A 86 -6.454 -10.021 -3.040 1.00 0.00 O ATOM 1320 CB THR A 86 -4.088 -9.956 -0.577 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.990 -11.005 -0.260 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.259 -8.820 0.439 1.00 0.00 C ATOM 0 H THR A 86 -5.897 -8.051 -1.564 1.00 0.00 H new ATOM 0 HA THR A 86 -3.438 -9.463 -2.599 1.00 0.00 H new ATOM 0 HB THR A 86 -3.058 -10.310 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.267 -10.927 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.061 -9.197 1.443 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.559 -8.017 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.279 -8.438 0.390 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.934 -11.615 -2.987 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.813 -12.599 -3.695 1.00 0.00 C ATOM 1332 C GLY A 87 -7.289 -12.398 -3.333 1.00 0.00 C ATOM 1333 O GLY A 87 -8.106 -12.096 -4.181 1.00 0.00 O ATOM 0 H GLY A 87 -4.012 -11.973 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.684 -12.494 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.509 -13.613 -3.435 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.644 -12.584 -2.092 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.082 -12.423 -1.699 1.00 0.00 C ATOM 1339 C TYR A 88 -9.417 -10.956 -1.409 1.00 0.00 C ATOM 1340 O TYR A 88 -10.456 -10.649 -0.859 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.276 -13.280 -0.442 1.00 0.00 C ATOM 1342 CG TYR A 88 -8.118 -13.093 0.509 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.796 -11.818 0.988 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.364 -14.202 0.907 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.719 -11.653 1.866 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -6.287 -14.038 1.785 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.964 -12.763 2.265 1.00 0.00 C ATOM 1348 OH TYR A 88 -4.903 -12.600 3.130 1.00 0.00 O ATOM 0 H TYR A 88 -7.010 -12.839 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.745 -12.737 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.208 -13.006 0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.360 -14.331 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.378 -10.962 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.613 -15.185 0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.470 -10.669 2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.705 -14.894 2.092 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.012 -13.199 3.898 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.560 -10.047 -1.781 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.853 -8.606 -1.530 1.00 0.00 C ATOM 1360 C GLY A 89 -8.654 -8.282 -0.047 1.00 0.00 C ATOM 1361 O GLY A 89 -9.505 -7.694 0.589 1.00 0.00 O ATOM 0 H GLY A 89 -7.672 -10.237 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.198 -7.982 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.877 -8.377 -1.826 1.00 0.00 H new ATOM 1365 N SER A 90 -7.533 -8.655 0.502 1.00 0.00 N ATOM 1366 CA SER A 90 -7.264 -8.364 1.942 1.00 0.00 C ATOM 1367 C SER A 90 -8.254 -9.112 2.844 1.00 0.00 C ATOM 1368 O SER A 90 -9.334 -9.481 2.430 1.00 0.00 O ATOM 1369 CB SER A 90 -7.438 -6.851 2.085 1.00 0.00 C ATOM 1370 OG SER A 90 -6.160 -6.243 2.227 1.00 0.00 O ATOM 0 H SER A 90 -6.786 -9.151 0.015 1.00 0.00 H new ATOM 0 HA SER A 90 -6.268 -8.689 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.950 -6.448 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.059 -6.625 2.951 1.00 0.00 H new ATOM 0 HG SER A 90 -5.924 -6.195 3.177 1.00 0.00 H new ATOM 1376 N LYS A 91 -7.876 -9.344 4.072 1.00 0.00 N ATOM 1377 CA LYS A 91 -8.766 -10.078 5.017 1.00 0.00 C ATOM 1378 C LYS A 91 -9.921 -9.193 5.501 1.00 0.00 C ATOM 1379 O LYS A 91 -10.704 -9.589 6.341 1.00 0.00 O ATOM 1380 CB LYS A 91 -7.858 -10.446 6.192 1.00 0.00 C ATOM 1381 CG LYS A 91 -7.381 -9.167 6.889 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.088 -9.025 8.240 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.241 -8.162 9.178 1.00 0.00 C ATOM 1384 NZ LYS A 91 -7.844 -8.366 10.525 1.00 0.00 N ATOM 0 H LYS A 91 -6.980 -9.054 4.464 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.224 -10.947 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.397 -11.078 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.002 -11.021 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.301 -9.201 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.592 -8.300 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.070 -8.572 8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.250 -10.008 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.195 -8.468 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.271 -7.112 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.320 -7.807 11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.838 -8.060 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.796 -9.374 10.778 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.029 -7.997 4.994 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.129 -7.094 5.444 1.00 0.00 C ATOM 1400 C GLY A 92 -10.519 -5.931 6.221 1.00 0.00 C ATOM 1401 O GLY A 92 -11.159 -5.306 7.043 1.00 0.00 O ATOM 0 H GLY A 92 -9.405 -7.605 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.689 -6.723 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.833 -7.640 6.072 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.276 -5.648 5.958 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.575 -4.536 6.657 1.00 0.00 C ATOM 1407 C LEU A 93 -9.514 -3.347 6.927 1.00 0.00 C ATOM 1408 O LEU A 93 -10.463 -3.101 6.209 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.417 -4.171 5.711 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.797 -3.071 4.703 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.767 -3.068 3.573 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.177 -3.317 4.085 1.00 0.00 C ATOM 0 H LEU A 93 -8.706 -6.149 5.276 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.217 -4.822 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.563 -3.838 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.102 -5.062 5.168 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.818 -2.120 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.022 -2.293 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.777 -2.869 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.766 -4.040 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.407 -2.519 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.176 -4.274 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.931 -3.334 4.872 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.257 -2.622 7.983 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.116 -1.449 8.332 1.00 0.00 C ATOM 1426 C ASP A 94 -9.330 -0.151 8.126 1.00 0.00 C ATOM 1427 O ASP A 94 -8.119 -0.136 8.217 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.475 -1.634 9.807 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.241 -1.370 10.670 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.877 -0.214 10.809 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.682 -2.328 11.177 1.00 0.00 O ATOM 0 H ASP A 94 -8.483 -2.792 8.625 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.008 -1.388 7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.279 -0.952 10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.842 -2.646 9.979 1.00 0.00 H new ATOM 1436 N THR A 95 -9.998 0.938 7.858 1.00 0.00 N ATOM 1437 CA THR A 95 -9.261 2.221 7.658 1.00 0.00 C ATOM 1438 C THR A 95 -10.220 3.352 7.291 1.00 0.00 C ATOM 1439 O THR A 95 -11.422 3.179 7.249 1.00 0.00 O ATOM 1440 CB THR A 95 -8.321 1.952 6.485 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.740 3.173 6.057 1.00 0.00 O ATOM 1442 CG2 THR A 95 -9.108 1.324 5.333 1.00 0.00 C ATOM 0 H THR A 95 -11.012 0.997 7.769 1.00 0.00 H new ATOM 0 HA THR A 95 -8.737 2.527 8.564 1.00 0.00 H new ATOM 0 HB THR A 95 -7.533 1.267 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.700 3.191 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.437 1.132 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.552 0.385 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.897 2.007 5.017 1.00 0.00 H new ATOM 1450 N ARG A 96 -9.687 4.507 6.994 1.00 0.00 N ATOM 1451 CA ARG A 96 -10.552 5.651 6.595 1.00 0.00 C ATOM 1452 C ARG A 96 -11.100 5.404 5.188 1.00 0.00 C ATOM 1453 O ARG A 96 -11.844 6.202 4.651 1.00 0.00 O ATOM 1454 CB ARG A 96 -9.625 6.870 6.585 1.00 0.00 C ATOM 1455 CG ARG A 96 -9.474 7.424 8.004 1.00 0.00 C ATOM 1456 CD ARG A 96 -10.660 8.335 8.331 1.00 0.00 C ATOM 1457 NE ARG A 96 -10.048 9.570 8.897 1.00 0.00 N ATOM 1458 CZ ARG A 96 -10.073 10.683 8.217 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -10.025 10.651 6.912 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -10.142 11.826 8.841 1.00 0.00 N ATOM 0 H ARG A 96 -8.687 4.706 7.011 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.399 5.788 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.649 6.591 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.029 7.639 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.424 6.605 8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.541 7.981 8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.246 8.557 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.335 7.864 9.046 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.609 9.545 9.817 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.968 9.756 6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.045 11.521 6.379 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.176 11.849 9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.162 12.697 8.310 1.00 0.00 H new ATOM 1474 N TYR A 97 -10.720 4.311 4.580 1.00 0.00 N ATOM 1475 CA TYR A 97 -11.200 4.021 3.201 1.00 0.00 C ATOM 1476 C TYR A 97 -12.583 3.376 3.225 1.00 0.00 C ATOM 1477 O TYR A 97 -13.267 3.343 2.231 1.00 0.00 O ATOM 1478 CB TYR A 97 -10.172 3.050 2.632 1.00 0.00 C ATOM 1479 CG TYR A 97 -8.910 3.805 2.316 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -8.137 4.330 3.356 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -8.514 3.984 0.987 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -6.964 5.035 3.069 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -7.340 4.689 0.698 1.00 0.00 C ATOM 1484 CZ TYR A 97 -6.564 5.214 1.739 1.00 0.00 C ATOM 1485 OH TYR A 97 -5.407 5.908 1.453 1.00 0.00 O ATOM 0 H TYR A 97 -10.098 3.608 4.980 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.295 4.928 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.966 2.256 3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.561 2.574 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.446 4.191 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.113 3.579 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.367 5.441 3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.032 4.828 -0.328 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.628 6.716 0.945 1.00 0.00 H new ATOM 1495 N SER A 98 -13.003 2.862 4.343 1.00 0.00 N ATOM 1496 CA SER A 98 -14.350 2.223 4.404 1.00 0.00 C ATOM 1497 C SER A 98 -14.389 0.949 3.548 1.00 0.00 C ATOM 1498 O SER A 98 -15.441 0.494 3.148 1.00 0.00 O ATOM 1499 CB SER A 98 -15.317 3.270 3.855 1.00 0.00 C ATOM 1500 OG SER A 98 -16.208 3.673 4.889 1.00 0.00 O ATOM 0 H SER A 98 -12.477 2.855 5.217 1.00 0.00 H new ATOM 0 HA SER A 98 -14.609 1.922 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.764 4.131 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.878 2.860 3.015 1.00 0.00 H new ATOM 0 HG SER A 98 -16.829 4.346 4.541 1.00 0.00 H new ATOM 1506 N ASN A 99 -13.253 0.358 3.280 1.00 0.00 N ATOM 1507 CA ASN A 99 -13.238 -0.901 2.471 1.00 0.00 C ATOM 1508 C ASN A 99 -13.914 -0.697 1.110 1.00 0.00 C ATOM 1509 O ASN A 99 -15.118 -0.801 0.990 1.00 0.00 O ATOM 1510 CB ASN A 99 -14.050 -1.889 3.310 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.132 -2.635 4.275 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.483 -3.684 4.774 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.964 -2.137 4.564 1.00 0.00 N ATOM 0 H ASN A 99 -12.338 0.690 3.584 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.223 -1.240 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.821 -1.357 3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.560 -2.599 2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.345 -2.629 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.668 -1.255 4.145 1.00 0.00 H new ATOM 1520 N ILE A 100 -13.158 -0.415 0.075 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.793 -0.220 -1.264 1.00 0.00 C ATOM 1522 C ILE A 100 -12.795 -0.512 -2.403 1.00 0.00 C ATOM 1523 O ILE A 100 -12.937 -1.501 -3.096 1.00 0.00 O ATOM 1524 CB ILE A 100 -14.318 1.237 -1.332 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.803 2.114 -0.144 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.851 1.185 -1.330 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -14.862 3.118 0.305 1.00 0.00 C ATOM 0 H ILE A 100 -12.143 -0.313 0.099 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.620 -0.919 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.943 1.704 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.530 1.472 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.900 2.645 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.249 2.198 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.197 0.618 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.197 0.701 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.473 3.712 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.116 3.776 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.755 2.584 0.630 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.819 0.350 -2.569 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.806 0.167 -3.641 1.00 0.00 C ATOM 1541 C PRO A 101 -9.880 -0.989 -3.310 1.00 0.00 C ATOM 1542 O PRO A 101 -8.983 -1.307 -4.062 1.00 0.00 O ATOM 1543 CB PRO A 101 -10.023 1.472 -3.625 1.00 0.00 C ATOM 1544 CG PRO A 101 -10.203 2.009 -2.249 1.00 0.00 C ATOM 1545 CD PRO A 101 -11.563 1.560 -1.793 1.00 0.00 C ATOM 0 HA PRO A 101 -11.257 -0.056 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.970 1.304 -3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.400 2.169 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.427 1.635 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.131 3.097 -2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.577 1.357 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.319 2.322 -1.983 1.00 0.00 H new ATOM 1553 N LEU A 102 -10.065 -1.609 -2.186 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.162 -2.733 -1.830 1.00 0.00 C ATOM 1555 C LEU A 102 -9.460 -3.941 -2.730 1.00 0.00 C ATOM 1556 O LEU A 102 -10.595 -4.197 -3.077 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.469 -3.041 -0.358 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.721 -2.082 0.597 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.074 -0.916 -0.160 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.716 -1.519 1.613 1.00 0.00 C ATOM 0 H LEU A 102 -10.792 -1.392 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.109 -2.491 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.542 -2.961 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.186 -4.070 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.931 -2.646 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.558 -0.265 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.358 -1.305 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.845 -0.348 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.199 -0.841 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.503 -0.977 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.156 -2.337 2.183 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.453 -4.679 -3.130 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.720 -5.857 -4.029 1.00 0.00 C ATOM 1574 C LEU A 103 -7.447 -6.703 -4.236 1.00 0.00 C ATOM 1575 O LEU A 103 -6.644 -6.837 -3.351 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.231 -5.259 -5.362 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.723 -3.824 -5.575 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -7.206 -3.758 -5.387 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -9.074 -3.370 -6.993 1.00 0.00 C ATOM 0 H LEU A 103 -7.476 -4.526 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.455 -6.535 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.905 -5.887 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.321 -5.264 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.198 -3.171 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.864 -2.735 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.950 -4.077 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.721 -4.415 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.715 -2.352 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.602 -4.036 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.155 -3.398 -7.127 1.00 0.00 H new ATOM 1591 N THR A 104 -7.262 -7.300 -5.385 1.00 0.00 N ATOM 1592 CA THR A 104 -6.044 -8.129 -5.605 1.00 0.00 C ATOM 1593 C THR A 104 -5.233 -7.587 -6.782 1.00 0.00 C ATOM 1594 O THR A 104 -4.699 -8.334 -7.578 1.00 0.00 O ATOM 1595 CB THR A 104 -6.577 -9.530 -5.911 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.506 -10.369 -6.318 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.619 -9.440 -7.028 1.00 0.00 C ATOM 0 H THR A 104 -7.902 -7.248 -6.178 1.00 0.00 H new ATOM 0 HA THR A 104 -5.377 -8.124 -4.743 1.00 0.00 H new ATOM 0 HB THR A 104 -7.038 -9.950 -5.017 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.068 -9.982 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.002 -10.436 -7.250 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.440 -8.798 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.158 -9.021 -7.923 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.133 -6.296 -6.895 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.354 -5.707 -8.018 1.00 0.00 C ATOM 1607 C LYS A 105 -4.990 -6.048 -9.369 1.00 0.00 C ATOM 1608 O LYS A 105 -4.295 -6.371 -10.313 1.00 0.00 O ATOM 1609 CB LYS A 105 -2.969 -6.337 -7.897 1.00 0.00 C ATOM 1610 CG LYS A 105 -1.963 -5.245 -7.554 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.006 -5.772 -6.490 1.00 0.00 C ATOM 1612 CE LYS A 105 0.083 -6.622 -7.154 1.00 0.00 C ATOM 1613 NZ LYS A 105 0.553 -5.836 -8.325 1.00 0.00 N ATOM 0 H LYS A 105 -5.557 -5.621 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.321 -4.619 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.970 -7.106 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.693 -6.825 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.410 -4.949 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.480 -4.357 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.554 -4.941 -5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.552 -6.368 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.901 -6.819 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.311 -7.589 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.500 -6.163 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.107 -5.966 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.595 -4.828 -8.072 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.293 -5.947 -9.428 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.011 -6.229 -10.691 1.00 0.00 C ATOM 1629 C PRO A 106 -6.818 -5.061 -11.663 1.00 0.00 C ATOM 1630 O PRO A 106 -7.237 -5.107 -12.802 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.471 -6.340 -10.256 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.564 -5.537 -8.997 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.208 -5.568 -8.344 1.00 0.00 C ATOM 0 HA PRO A 106 -6.660 -7.125 -11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.141 -5.951 -11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.753 -7.379 -10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.861 -4.512 -9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.320 -5.953 -8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.946 -4.597 -7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.176 -6.288 -7.526 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.184 -4.009 -11.212 1.00 0.00 N ATOM 1642 CA PHE A 107 -5.961 -2.830 -12.093 1.00 0.00 C ATOM 1643 C PHE A 107 -7.283 -2.380 -12.712 1.00 0.00 C ATOM 1644 O PHE A 107 -8.307 -3.011 -12.532 1.00 0.00 O ATOM 1645 CB PHE A 107 -4.968 -3.307 -13.151 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.577 -3.183 -12.578 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.968 -1.925 -12.495 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.907 -4.318 -12.106 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.687 -1.802 -11.944 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.627 -4.195 -11.552 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.016 -2.935 -11.471 1.00 0.00 C ATOM 0 H PHE A 107 -5.811 -3.918 -10.267 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.572 -1.967 -11.553 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.175 -4.341 -13.428 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.061 -2.709 -14.058 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.487 -1.049 -12.856 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.377 -5.288 -12.169 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.216 -0.832 -11.884 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.110 -5.070 -11.187 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.029 -2.839 -11.044 1.00 0.00 H new ATOM 1661 N LEU A 108 -7.284 -1.282 -13.417 1.00 0.00 N ATOM 1662 CA LEU A 108 -8.560 -0.794 -14.008 1.00 0.00 C ATOM 1663 C LEU A 108 -9.601 -0.675 -12.895 1.00 0.00 C ATOM 1664 O LEU A 108 -10.246 -1.639 -12.538 1.00 0.00 O ATOM 1665 CB LEU A 108 -8.964 -1.860 -15.022 1.00 0.00 C ATOM 1666 CG LEU A 108 -7.828 -2.051 -16.024 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -7.760 -3.518 -16.447 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -8.079 -1.172 -17.250 1.00 0.00 C ATOM 0 H LEU A 108 -6.464 -0.707 -13.608 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.469 0.183 -14.482 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.180 -2.800 -14.514 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.876 -1.561 -15.539 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.883 -1.766 -15.562 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.949 -3.653 -17.162 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.579 -4.141 -15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.704 -3.807 -16.910 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.269 -1.307 -17.967 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.024 -1.455 -17.713 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.123 -0.126 -16.945 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.739 0.498 -12.328 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.708 0.707 -11.206 1.00 0.00 C ATOM 1682 C ASP A 109 -10.081 0.214 -9.893 1.00 0.00 C ATOM 1683 O ASP A 109 -10.728 0.147 -8.867 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.986 -0.077 -11.588 1.00 0.00 C ATOM 1685 CG ASP A 109 -12.169 -1.330 -10.715 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -11.187 -2.006 -10.456 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.296 -1.593 -10.327 1.00 0.00 O ATOM 0 H ASP A 109 -9.215 1.330 -12.598 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.957 1.757 -11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.856 0.571 -11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.934 -0.369 -12.637 1.00 0.00 H new ATOM 1692 N SER A 110 -8.819 -0.127 -9.926 1.00 0.00 N ATOM 1693 CA SER A 110 -8.138 -0.613 -8.692 1.00 0.00 C ATOM 1694 C SER A 110 -7.583 0.573 -7.887 1.00 0.00 C ATOM 1695 O SER A 110 -8.333 1.382 -7.378 1.00 0.00 O ATOM 1696 CB SER A 110 -7.009 -1.509 -9.202 1.00 0.00 C ATOM 1697 OG SER A 110 -6.333 -2.092 -8.094 1.00 0.00 O ATOM 0 H SER A 110 -8.230 -0.089 -10.758 1.00 0.00 H new ATOM 0 HA SER A 110 -8.812 -1.149 -8.024 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.412 -2.289 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.311 -0.927 -9.803 1.00 0.00 H new ATOM 0 HG SER A 110 -5.610 -2.668 -8.418 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.280 0.686 -7.765 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.696 1.822 -6.992 1.00 0.00 C ATOM 1705 C GLU A 111 -6.464 3.109 -7.283 1.00 0.00 C ATOM 1706 O GLU A 111 -6.647 3.950 -6.423 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.254 1.940 -7.487 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.303 1.566 -6.352 1.00 0.00 C ATOM 1709 CD GLU A 111 -1.855 1.795 -6.793 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -1.331 0.950 -7.500 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -1.295 2.810 -6.413 1.00 0.00 O ATOM 0 H GLU A 111 -5.600 0.041 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.747 1.656 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.095 1.283 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.055 2.957 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.523 2.165 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.447 0.522 -6.073 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.925 3.266 -8.487 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.693 4.496 -8.830 1.00 0.00 C ATOM 1720 C LEU A 112 -8.782 4.700 -7.788 1.00 0.00 C ATOM 1721 O LEU A 112 -8.876 5.739 -7.167 1.00 0.00 O ATOM 1722 CB LEU A 112 -8.282 4.221 -10.209 1.00 0.00 C ATOM 1723 CG LEU A 112 -7.130 3.929 -11.160 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -7.556 2.875 -12.184 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -6.725 5.217 -11.881 1.00 0.00 C ATOM 0 H LEU A 112 -6.806 2.599 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.084 5.400 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.968 3.375 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.856 5.080 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.281 3.549 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.727 2.670 -12.862 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.837 1.958 -11.667 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.408 3.245 -12.754 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.900 5.009 -12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.575 5.600 -12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.412 5.961 -11.149 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.582 3.701 -7.563 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.634 3.829 -6.526 1.00 0.00 C ATOM 1739 C GLU A 113 -9.964 4.184 -5.209 1.00 0.00 C ATOM 1740 O GLU A 113 -10.546 4.803 -4.342 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.271 2.440 -6.440 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.257 2.270 -7.588 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.655 2.673 -7.115 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.892 3.862 -6.978 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -14.463 1.786 -6.891 1.00 0.00 O ATOM 0 H GLU A 113 -9.553 2.805 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.375 4.596 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.501 1.670 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.782 2.320 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.956 2.885 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.260 1.235 -7.930 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.730 3.789 -5.057 1.00 0.00 N ATOM 1753 CA ALA A 114 -8.010 4.090 -3.792 1.00 0.00 C ATOM 1754 C ALA A 114 -7.812 5.595 -3.657 1.00 0.00 C ATOM 1755 O ALA A 114 -7.578 6.110 -2.581 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.663 3.380 -3.929 1.00 0.00 C ATOM 0 H ALA A 114 -8.192 3.272 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.556 3.758 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.068 3.553 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.827 2.310 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.133 3.770 -4.798 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.902 6.304 -4.744 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.716 7.780 -4.684 1.00 0.00 C ATOM 1764 C VAL A 115 -9.062 8.498 -4.833 1.00 0.00 C ATOM 1765 O VAL A 115 -9.202 9.654 -4.484 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.803 8.109 -5.867 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.311 9.547 -5.735 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.595 7.166 -5.874 1.00 0.00 C ATOM 0 H VAL A 115 -8.096 5.927 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.292 8.102 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.361 7.987 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.660 9.787 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.165 10.225 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.757 9.658 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.950 7.407 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.036 7.284 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.939 6.135 -5.962 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.046 7.830 -5.373 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.375 8.481 -5.574 1.00 0.00 C ATOM 1780 C LEU A 116 -12.350 8.183 -4.429 1.00 0.00 C ATOM 1781 O LEU A 116 -12.943 9.072 -3.856 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.906 7.869 -6.864 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.306 8.598 -8.059 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -10.479 7.610 -8.880 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.438 9.168 -8.915 1.00 0.00 C ATOM 0 H LEU A 116 -9.988 6.860 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.275 9.566 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.653 6.810 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.993 7.939 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.665 9.412 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.045 8.123 -9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.681 7.201 -8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.120 6.800 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.017 9.692 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.076 8.355 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.029 9.864 -8.320 1.00 0.00 H new ATOM 1797 N VAL A 117 -12.551 6.933 -4.135 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.523 6.541 -3.071 1.00 0.00 C ATOM 1799 C VAL A 117 -13.143 7.089 -1.689 1.00 0.00 C ATOM 1800 O VAL A 117 -13.968 7.154 -0.798 1.00 0.00 O ATOM 1801 CB VAL A 117 -13.448 5.018 -3.057 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.160 4.582 -2.366 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -14.656 4.455 -2.312 1.00 0.00 C ATOM 0 H VAL A 117 -12.079 6.152 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.517 6.939 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.452 4.640 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.104 3.494 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.303 4.984 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.151 4.957 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.602 3.366 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.658 4.828 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.571 4.769 -2.814 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.912 7.450 -1.481 1.00 0.00 N ATOM 1814 CA GLN A 118 -11.516 7.948 -0.134 1.00 0.00 C ATOM 1815 C GLN A 118 -11.792 9.444 0.006 1.00 0.00 C ATOM 1816 O GLN A 118 -11.011 10.176 0.580 1.00 0.00 O ATOM 1817 CB GLN A 118 -10.021 7.651 -0.008 1.00 0.00 C ATOM 1818 CG GLN A 118 -9.288 8.125 -1.259 1.00 0.00 C ATOM 1819 CD GLN A 118 -7.810 8.312 -0.934 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -7.323 7.794 0.051 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.073 9.037 -1.724 1.00 0.00 N ATOM 0 H GLN A 118 -11.166 7.424 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.090 7.461 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.616 8.150 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.865 6.581 0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.407 7.398 -2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -9.716 9.063 -1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.485 9.471 -2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.083 9.172 -1.517 1.00 0.00 H new