USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 751 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 121 HIS : no HE2:sc= -0.315! C(o=-3!,f=-12!) USER MOD Set 1.2: A 122 GLN : amide:sc= -2.64! C(o=-3!,f=-13!) USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 GLN : amide:sc= -0.343 K(o=-0.34,f=-2.5!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.12) USER MOD Single : A 20 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.038) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.28) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 43 CYS SG : rot 170:sc= -6.38! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00869 X(o=-0.0087,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -123:sc= 0.432 USER MOD Single : A 60 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3.5!) USER MOD Single : A 64 ASN : amide:sc= -10.9! C(o=-11!,f=-10!) USER MOD Single : A 69 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 71 SER OG : rot -69:sc= 1.19 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= -0.0951 (180deg=-0.18) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -72:sc= 0.217 USER MOD Single : A 117 GLN : amide:sc= -0.378 K(o=-0.38,f=-2.3!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.550 3.292 7.947 1.00 0.00 N ATOM 173 CA MET A 11 -3.167 2.847 7.980 1.00 0.00 C ATOM 174 C MET A 11 -3.066 1.412 8.503 1.00 0.00 C ATOM 175 O MET A 11 -2.787 0.488 7.741 1.00 0.00 O ATOM 176 CB MET A 11 -2.352 3.777 8.880 1.00 0.00 C ATOM 177 CG MET A 11 -3.191 4.272 10.060 1.00 0.00 C ATOM 178 SD MET A 11 -2.242 4.171 11.568 1.00 0.00 S ATOM 179 CE MET A 11 -2.162 5.901 12.002 1.00 0.00 C ATOM 0 HA MET A 11 -2.772 2.873 6.964 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.472 3.251 9.250 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.995 4.628 8.301 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.506 5.301 9.887 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.097 3.672 10.150 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.599 6.018 12.928 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.667 6.454 11.204 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.171 6.289 12.140 1.00 0.00 H new ATOM 189 N ARG A 12 -3.298 1.272 9.800 1.00 0.00 N ATOM 190 CA ARG A 12 -3.237 -0.034 10.433 1.00 0.00 C ATOM 191 C ARG A 12 -4.003 -1.065 9.602 1.00 0.00 C ATOM 192 O ARG A 12 -3.626 -2.235 9.555 1.00 0.00 O ATOM 193 CB ARG A 12 -3.825 0.010 11.845 1.00 0.00 C ATOM 194 CG ARG A 12 -5.351 -0.084 11.807 1.00 0.00 C ATOM 195 CD ARG A 12 -5.949 0.137 13.198 1.00 0.00 C ATOM 196 NE ARG A 12 -6.805 -1.012 13.569 1.00 0.00 N ATOM 197 CZ ARG A 12 -6.339 -2.168 14.059 1.00 0.00 C ATOM 198 NH1 ARG A 12 -5.022 -2.337 14.240 1.00 0.00 N ATOM 199 NH2 ARG A 12 -7.190 -3.156 14.369 1.00 0.00 N ATOM 0 H ARG A 12 -3.528 2.041 10.429 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.188 -0.321 10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.421 -0.812 12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.526 0.935 12.338 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.747 0.659 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.649 -1.062 11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.151 0.258 13.931 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.535 1.056 13.209 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.813 -0.918 13.444 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.374 -1.585 14.005 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.667 -3.218 14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.193 -3.027 14.232 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.835 -4.036 14.742 1.00 0.00 H new ATOM 213 N GLN A 13 -5.066 -0.593 8.966 1.00 0.00 N ATOM 214 CA GLN A 13 -5.889 -1.459 8.139 1.00 0.00 C ATOM 215 C GLN A 13 -5.106 -1.916 6.907 1.00 0.00 C ATOM 216 O GLN A 13 -5.130 -3.094 6.553 1.00 0.00 O ATOM 217 CB GLN A 13 -7.187 -0.758 7.734 1.00 0.00 C ATOM 218 CG GLN A 13 -8.182 -0.733 8.897 1.00 0.00 C ATOM 219 CD GLN A 13 -8.823 -2.108 9.099 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.721 -2.515 8.381 1.00 0.00 O ATOM 221 NE2 GLN A 13 -8.313 -2.798 10.116 1.00 0.00 N ATOM 0 H GLN A 13 -5.376 0.378 9.007 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.157 -2.340 8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.970 0.261 7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.631 -1.272 6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.672 -0.428 9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.957 0.008 8.702 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.561 -2.398 10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.674 -3.727 10.334 1.00 0.00 H new ATOM 230 N LEU A 14 -4.429 -0.960 6.286 1.00 0.00 N ATOM 231 CA LEU A 14 -3.641 -1.250 5.101 1.00 0.00 C ATOM 232 C LEU A 14 -2.585 -2.304 5.442 1.00 0.00 C ATOM 233 O LEU A 14 -2.375 -3.246 4.680 1.00 0.00 O ATOM 234 CB LEU A 14 -3.058 0.038 4.517 1.00 0.00 C ATOM 235 CG LEU A 14 -3.850 0.675 3.373 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.460 0.060 2.028 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.355 0.582 3.631 1.00 0.00 C ATOM 0 H LEU A 14 -4.411 0.016 6.582 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.271 -1.671 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.967 0.769 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.049 -0.172 4.161 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.596 1.734 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.037 0.530 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.397 0.221 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.668 -1.010 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.895 1.042 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.645 -0.465 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.598 1.103 4.557 1.00 0.00 H new ATOM 249 N ILE A 15 -1.948 -2.109 6.587 1.00 0.00 N ATOM 250 CA ILE A 15 -0.919 -3.030 7.038 1.00 0.00 C ATOM 251 C ILE A 15 -1.570 -4.352 7.451 1.00 0.00 C ATOM 252 O ILE A 15 -0.939 -5.406 7.385 1.00 0.00 O ATOM 253 CB ILE A 15 -0.072 -2.390 8.140 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.722 -1.199 7.600 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.833 -3.428 8.807 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.040 0.110 7.814 1.00 0.00 C ATOM 0 H ILE A 15 -2.125 -1.326 7.216 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.227 -3.255 6.227 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.743 -2.006 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.690 -1.146 8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.918 -1.340 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.425 -2.948 9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.221 -4.214 9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.499 -3.862 8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.546 0.941 7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.997 0.063 7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.213 0.260 8.880 1.00 0.00 H new ATOM 268 N ASP A 16 -2.823 -4.252 7.868 1.00 0.00 N ATOM 269 CA ASP A 16 -3.566 -5.427 8.292 1.00 0.00 C ATOM 270 C ASP A 16 -3.862 -6.305 7.075 1.00 0.00 C ATOM 271 O ASP A 16 -3.383 -7.435 6.989 1.00 0.00 O ATOM 272 CB ASP A 16 -4.902 -5.034 8.927 1.00 0.00 C ATOM 273 CG ASP A 16 -5.226 -5.744 10.243 1.00 0.00 C ATOM 274 OD1 ASP A 16 -4.268 -5.979 11.012 1.00 0.00 O ATOM 275 OD2 ASP A 16 -6.423 -6.037 10.450 1.00 0.00 O ATOM 0 H ASP A 16 -3.343 -3.376 7.922 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.961 -5.962 9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.901 -3.958 9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.700 -5.240 8.214 1.00 0.00 H new ATOM 280 N ILE A 17 -4.649 -5.752 6.163 1.00 0.00 N ATOM 281 CA ILE A 17 -5.014 -6.471 4.955 1.00 0.00 C ATOM 282 C ILE A 17 -3.750 -7.029 4.297 1.00 0.00 C ATOM 283 O ILE A 17 -3.718 -8.190 3.892 1.00 0.00 O ATOM 284 CB ILE A 17 -5.845 -5.578 4.031 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.298 -4.150 4.011 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.326 -5.620 4.415 1.00 0.00 C ATOM 287 CD1 ILE A 17 -5.053 -3.677 2.576 1.00 0.00 C ATOM 0 H ILE A 17 -5.044 -4.814 6.237 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.651 -7.322 5.196 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.764 -5.967 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.003 -3.480 4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.367 -4.105 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.894 -4.977 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.694 -6.643 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.446 -5.270 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.664 -2.659 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.330 -4.335 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.990 -3.700 2.020 1.00 0.00 H new ATOM 299 N VAL A 18 -2.740 -6.175 4.211 1.00 0.00 N ATOM 300 CA VAL A 18 -1.478 -6.568 3.609 1.00 0.00 C ATOM 301 C VAL A 18 -0.983 -7.858 4.268 1.00 0.00 C ATOM 302 O VAL A 18 -0.922 -8.904 3.625 1.00 0.00 O ATOM 303 CB VAL A 18 -0.470 -5.421 3.710 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.941 -5.899 3.363 1.00 0.00 C ATOM 305 CG2 VAL A 18 -0.886 -4.247 2.821 1.00 0.00 C ATOM 0 H VAL A 18 -2.771 -5.213 4.548 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.610 -6.775 2.547 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.460 -5.073 4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.638 -5.065 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.238 -6.687 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.954 -6.286 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.153 -3.445 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.938 -4.577 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.864 -3.882 3.135 1.00 0.00 H new ATOM 315 N ASP A 19 -0.643 -7.740 5.543 1.00 0.00 N ATOM 316 CA ASP A 19 -0.156 -8.883 6.297 1.00 0.00 C ATOM 317 C ASP A 19 -1.173 -10.022 6.202 1.00 0.00 C ATOM 318 O ASP A 19 -0.811 -11.158 5.900 1.00 0.00 O ATOM 319 CB ASP A 19 0.025 -8.532 7.775 1.00 0.00 C ATOM 320 CG ASP A 19 1.246 -9.165 8.445 1.00 0.00 C ATOM 321 OD1 ASP A 19 2.268 -9.310 7.741 1.00 0.00 O ATOM 322 OD2 ASP A 19 1.129 -9.489 9.647 1.00 0.00 O ATOM 0 H ASP A 19 -0.695 -6.870 6.073 1.00 0.00 H new ATOM 0 HA ASP A 19 0.805 -9.179 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.099 -7.449 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.869 -8.839 8.318 1.00 0.00 H new ATOM 327 N GLN A 20 -2.425 -9.678 6.465 1.00 0.00 N ATOM 328 CA GLN A 20 -3.497 -10.657 6.414 1.00 0.00 C ATOM 329 C GLN A 20 -3.446 -11.430 5.094 1.00 0.00 C ATOM 330 O GLN A 20 -3.491 -12.659 5.088 1.00 0.00 O ATOM 331 CB GLN A 20 -4.860 -9.989 6.606 1.00 0.00 C ATOM 332 CG GLN A 20 -5.991 -11.015 6.511 1.00 0.00 C ATOM 333 CD GLN A 20 -7.167 -10.460 5.703 1.00 0.00 C ATOM 334 OE1 GLN A 20 -7.060 -10.168 4.523 1.00 0.00 O ATOM 335 NE2 GLN A 20 -8.291 -10.332 6.402 1.00 0.00 N ATOM 0 H GLN A 20 -2.721 -8.734 6.714 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.358 -11.363 7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.893 -9.495 7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.000 -9.217 5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.621 -11.927 6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.328 -11.285 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.312 -10.595 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.132 -9.971 5.953 1.00 0.00 H new ATOM 344 N LEU A 21 -3.355 -10.677 4.008 1.00 0.00 N ATOM 345 CA LEU A 21 -3.298 -11.276 2.685 1.00 0.00 C ATOM 346 C LEU A 21 -1.994 -12.063 2.542 1.00 0.00 C ATOM 347 O LEU A 21 -1.994 -13.187 2.044 1.00 0.00 O ATOM 348 CB LEU A 21 -3.495 -10.210 1.605 1.00 0.00 C ATOM 349 CG LEU A 21 -3.071 -10.604 0.189 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.568 -10.402 -0.010 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.506 -12.034 -0.136 1.00 0.00 C ATOM 0 H LEU A 21 -3.319 -9.658 4.017 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.115 -11.985 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.549 -9.933 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.937 -9.320 1.895 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.580 -9.946 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.293 -10.690 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.317 -9.353 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.020 -11.019 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.192 -12.289 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.045 -12.724 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.591 -12.110 -0.063 1.00 0.00 H new ATOM 363 N LYS A 22 -0.912 -11.440 2.987 1.00 0.00 N ATOM 364 CA LYS A 22 0.396 -12.067 2.914 1.00 0.00 C ATOM 365 C LYS A 22 0.338 -13.437 3.593 1.00 0.00 C ATOM 366 O LYS A 22 0.786 -14.434 3.028 1.00 0.00 O ATOM 367 CB LYS A 22 1.468 -11.140 3.491 1.00 0.00 C ATOM 368 CG LYS A 22 2.221 -10.412 2.376 1.00 0.00 C ATOM 369 CD LYS A 22 3.660 -10.106 2.795 1.00 0.00 C ATOM 370 CE LYS A 22 3.696 -9.054 3.905 1.00 0.00 C ATOM 371 NZ LYS A 22 4.763 -9.368 4.882 1.00 0.00 N ATOM 0 H LYS A 22 -0.915 -10.507 3.399 1.00 0.00 H new ATOM 0 HA LYS A 22 0.680 -12.237 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.004 -10.412 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.170 -11.719 4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.224 -11.024 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.705 -9.484 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.144 -11.020 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.226 -9.750 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.868 -8.068 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.731 -9.017 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.774 -8.644 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.582 -10.300 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.684 -9.380 4.399 1.00 0.00 H new ATOM 385 N ASN A 23 -0.217 -13.443 4.796 1.00 0.00 N ATOM 386 CA ASN A 23 -0.340 -14.674 5.558 1.00 0.00 C ATOM 387 C ASN A 23 -1.017 -15.739 4.693 1.00 0.00 C ATOM 388 O ASN A 23 -0.843 -16.935 4.925 1.00 0.00 O ATOM 389 CB ASN A 23 -1.197 -14.466 6.808 1.00 0.00 C ATOM 390 CG ASN A 23 -0.367 -13.879 7.951 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.647 -13.231 7.747 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.851 -14.141 9.161 1.00 0.00 N ATOM 0 H ASN A 23 -0.587 -12.614 5.262 1.00 0.00 H new ATOM 0 HA ASN A 23 0.661 -14.987 5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.027 -13.799 6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.629 -15.417 7.119 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.368 -13.793 9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.705 -14.690 9.261 1.00 0.00 H new ATOM 399 N TYR A 24 -1.774 -15.267 3.713 1.00 0.00 N ATOM 400 CA TYR A 24 -2.477 -16.164 2.812 1.00 0.00 C ATOM 401 C TYR A 24 -1.826 -16.172 1.428 1.00 0.00 C ATOM 402 O TYR A 24 -2.514 -16.285 0.415 1.00 0.00 O ATOM 403 CB TYR A 24 -3.898 -15.610 2.691 1.00 0.00 C ATOM 404 CG TYR A 24 -4.873 -16.165 3.731 1.00 0.00 C ATOM 405 CD1 TYR A 24 -4.841 -17.505 4.061 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.786 -15.326 4.338 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.759 -18.027 5.040 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.704 -15.849 5.317 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.645 -17.173 5.620 1.00 0.00 C ATOM 410 OH TYR A 24 -7.512 -17.667 6.544 1.00 0.00 O ATOM 0 H TYR A 24 -1.916 -14.275 3.523 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.457 -17.185 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.863 -14.525 2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.280 -15.832 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.128 -18.162 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.812 -14.278 4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.744 -19.073 5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.423 -15.204 5.800 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.085 -16.944 6.874 1.00 0.00 H new ATOM 420 N VAL A 25 -0.506 -16.052 1.429 1.00 0.00 N ATOM 421 CA VAL A 25 0.246 -16.044 0.186 1.00 0.00 C ATOM 422 C VAL A 25 -0.130 -17.276 -0.640 1.00 0.00 C ATOM 423 O VAL A 25 -0.100 -17.237 -1.869 1.00 0.00 O ATOM 424 CB VAL A 25 1.744 -15.957 0.482 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.564 -16.569 -0.657 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.168 -14.511 0.746 1.00 0.00 C ATOM 0 H VAL A 25 0.062 -15.960 2.271 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.006 -15.165 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 25 1.941 -16.534 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.626 -16.494 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.292 -17.618 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.359 -16.031 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.238 -14.478 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.949 -13.902 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.619 -14.122 1.604 1.00 0.00 H new ATOM 436 N ASN A 26 -0.476 -18.341 0.068 1.00 0.00 N ATOM 437 CA ASN A 26 -0.857 -19.582 -0.584 1.00 0.00 C ATOM 438 C ASN A 26 -1.991 -19.306 -1.574 1.00 0.00 C ATOM 439 O ASN A 26 -2.246 -20.108 -2.470 1.00 0.00 O ATOM 440 CB ASN A 26 -1.359 -20.608 0.434 1.00 0.00 C ATOM 441 CG ASN A 26 -1.098 -22.035 -0.051 1.00 0.00 C ATOM 442 OD1 ASN A 26 -0.929 -22.296 -1.231 1.00 0.00 O ATOM 443 ND2 ASN A 26 -1.076 -22.942 0.921 1.00 0.00 N ATOM 0 H ASN A 26 -0.500 -18.370 1.087 1.00 0.00 H new ATOM 0 HA ASN A 26 0.022 -19.978 -1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.862 -20.449 1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.427 -20.467 0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.910 -23.924 0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.225 -22.656 1.889 1.00 0.00 H new ATOM 450 N ASP A 27 -2.640 -18.167 -1.378 1.00 0.00 N ATOM 451 CA ASP A 27 -3.740 -17.775 -2.243 1.00 0.00 C ATOM 452 C ASP A 27 -3.362 -16.497 -2.994 1.00 0.00 C ATOM 453 O ASP A 27 -4.169 -15.575 -3.103 1.00 0.00 O ATOM 454 CB ASP A 27 -5.004 -17.489 -1.430 1.00 0.00 C ATOM 455 CG ASP A 27 -5.627 -18.711 -0.752 1.00 0.00 C ATOM 456 OD1 ASP A 27 -4.845 -19.513 -0.197 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.872 -18.816 -0.803 1.00 0.00 O ATOM 0 H ASP A 27 -2.425 -17.504 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.934 -18.594 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.766 -16.750 -0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.747 -17.039 -2.088 1.00 0.00 H new ATOM 462 N LEU A 28 -2.134 -16.483 -3.492 1.00 0.00 N ATOM 463 CA LEU A 28 -1.639 -15.333 -4.230 1.00 0.00 C ATOM 464 C LEU A 28 -1.219 -15.775 -5.633 1.00 0.00 C ATOM 465 O LEU A 28 -0.518 -16.774 -5.790 1.00 0.00 O ATOM 466 CB LEU A 28 -0.526 -14.633 -3.447 1.00 0.00 C ATOM 467 CG LEU A 28 -0.982 -13.679 -2.342 1.00 0.00 C ATOM 468 CD1 LEU A 28 0.215 -13.128 -1.565 1.00 0.00 C ATOM 469 CD2 LEU A 28 -1.861 -12.562 -2.909 1.00 0.00 C ATOM 0 H LEU A 28 -1.467 -17.249 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.427 -14.590 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.112 -15.396 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.090 -14.074 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.593 -14.242 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.137 -12.452 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.764 -13.952 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.872 -12.586 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.171 -11.898 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.296 -11.995 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.742 -12.997 -3.381 1.00 0.00 H new ATOM 481 N VAL A 29 -1.666 -15.010 -6.618 1.00 0.00 N ATOM 482 CA VAL A 29 -1.345 -15.310 -8.003 1.00 0.00 C ATOM 483 C VAL A 29 -0.195 -14.412 -8.462 1.00 0.00 C ATOM 484 O VAL A 29 -0.268 -13.191 -8.338 1.00 0.00 O ATOM 485 CB VAL A 29 -2.597 -15.170 -8.872 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.736 -13.742 -9.406 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.586 -16.185 -10.017 1.00 0.00 C ATOM 0 H VAL A 29 -2.248 -14.183 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.010 -16.342 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.465 -15.380 -8.247 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.633 -13.669 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.811 -13.047 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.863 -13.492 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.487 -16.064 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.708 -16.020 -10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.556 -17.195 -9.608 1.00 0.00 H new ATOM 497 N PRO A 30 0.869 -15.069 -8.997 1.00 0.00 N ATOM 498 CA PRO A 30 2.034 -14.344 -9.476 1.00 0.00 C ATOM 499 C PRO A 30 1.741 -13.657 -10.811 1.00 0.00 C ATOM 500 O PRO A 30 1.675 -14.314 -11.850 1.00 0.00 O ATOM 501 CB PRO A 30 3.135 -15.387 -9.572 1.00 0.00 C ATOM 502 CG PRO A 30 2.432 -16.735 -9.592 1.00 0.00 C ATOM 503 CD PRO A 30 0.991 -16.515 -9.161 1.00 0.00 C ATOM 0 HA PRO A 30 2.330 -13.534 -8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.731 -15.244 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.817 -15.315 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.470 -17.170 -10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.929 -17.435 -8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.292 -16.889 -9.910 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.772 -17.039 -8.231 1.00 0.00 H new ATOM 511 N GLU A 31 1.574 -12.345 -10.742 1.00 0.00 N ATOM 512 CA GLU A 31 1.291 -11.562 -11.933 1.00 0.00 C ATOM 513 C GLU A 31 2.131 -10.284 -11.940 1.00 0.00 C ATOM 514 O GLU A 31 2.658 -9.877 -10.906 1.00 0.00 O ATOM 515 CB GLU A 31 -0.201 -11.239 -12.034 1.00 0.00 C ATOM 516 CG GLU A 31 -0.594 -10.146 -11.038 1.00 0.00 C ATOM 517 CD GLU A 31 -2.002 -10.385 -10.489 1.00 0.00 C ATOM 518 OE1 GLU A 31 -2.945 -10.345 -11.309 1.00 0.00 O ATOM 519 OE2 GLU A 31 -2.104 -10.603 -9.262 1.00 0.00 O ATOM 0 H GLU A 31 1.629 -11.804 -9.879 1.00 0.00 H new ATOM 0 HA GLU A 31 1.561 -12.155 -12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.439 -10.915 -13.047 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.785 -12.139 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.122 -10.124 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.550 -9.172 -11.525 1.00 0.00 H new ATOM 526 N PHE A 32 2.230 -9.685 -13.118 1.00 0.00 N ATOM 527 CA PHE A 32 2.997 -8.461 -13.273 1.00 0.00 C ATOM 528 C PHE A 32 2.362 -7.313 -12.486 1.00 0.00 C ATOM 529 O PHE A 32 1.476 -6.625 -12.990 1.00 0.00 O ATOM 530 CB PHE A 32 2.983 -8.111 -14.763 1.00 0.00 C ATOM 531 CG PHE A 32 3.606 -9.182 -15.660 1.00 0.00 C ATOM 532 CD1 PHE A 32 4.958 -9.297 -15.743 1.00 0.00 C ATOM 533 CD2 PHE A 32 2.807 -10.020 -16.374 1.00 0.00 C ATOM 534 CE1 PHE A 32 5.536 -10.292 -16.576 1.00 0.00 C ATOM 535 CE2 PHE A 32 3.385 -11.014 -17.206 1.00 0.00 C ATOM 536 CZ PHE A 32 4.737 -11.129 -17.290 1.00 0.00 C ATOM 0 H PHE A 32 1.792 -10.025 -13.974 1.00 0.00 H new ATOM 0 HA PHE A 32 4.010 -8.606 -12.898 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.953 -7.944 -15.077 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.518 -7.173 -14.910 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.592 -8.632 -15.176 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.733 -9.929 -16.308 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.610 -10.384 -16.642 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.750 -11.679 -17.773 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.176 -11.885 -17.924 1.00 0.00 H new ATOM 546 N LEU A 33 2.841 -7.141 -11.262 1.00 0.00 N ATOM 547 CA LEU A 33 2.332 -6.088 -10.400 1.00 0.00 C ATOM 548 C LEU A 33 3.384 -4.985 -10.274 1.00 0.00 C ATOM 549 O LEU A 33 4.542 -5.258 -9.962 1.00 0.00 O ATOM 550 CB LEU A 33 1.884 -6.666 -9.056 1.00 0.00 C ATOM 551 CG LEU A 33 0.391 -6.549 -8.740 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.455 -6.810 -9.988 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.002 -7.468 -7.581 1.00 0.00 C ATOM 0 H LEU A 33 3.576 -7.714 -10.847 1.00 0.00 H new ATOM 0 HA LEU A 33 1.443 -5.633 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.160 -7.720 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.443 -6.168 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 33 0.188 -5.527 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.512 -6.721 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.202 -6.081 -10.758 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.254 -7.815 -10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.064 -7.365 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.223 -8.502 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.570 -7.193 -6.692 1.00 0.00 H new ATOM 565 N PRO A 34 2.933 -3.728 -10.531 1.00 0.00 N ATOM 566 CA PRO A 34 3.822 -2.582 -10.450 1.00 0.00 C ATOM 567 C PRO A 34 4.114 -2.216 -8.993 1.00 0.00 C ATOM 568 O PRO A 34 3.193 -2.058 -8.193 1.00 0.00 O ATOM 569 CB PRO A 34 3.108 -1.475 -11.209 1.00 0.00 C ATOM 570 CG PRO A 34 1.649 -1.897 -11.286 1.00 0.00 C ATOM 571 CD PRO A 34 1.568 -3.366 -10.905 1.00 0.00 C ATOM 0 HA PRO A 34 4.801 -2.778 -10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.212 -0.519 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.531 -1.349 -12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.041 -1.294 -10.612 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.259 -1.741 -12.292 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.876 -3.523 -10.078 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.212 -3.972 -11.738 1.00 0.00 H new ATOM 579 N ALA A 35 5.398 -2.093 -8.694 1.00 0.00 N ATOM 580 CA ALA A 35 5.823 -1.749 -7.347 1.00 0.00 C ATOM 581 C ALA A 35 6.921 -0.686 -7.419 1.00 0.00 C ATOM 582 O ALA A 35 8.009 -0.946 -7.931 1.00 0.00 O ATOM 583 CB ALA A 35 6.282 -3.013 -6.618 1.00 0.00 C ATOM 0 H ALA A 35 6.159 -2.225 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 35 4.994 -1.328 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.601 -2.755 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.457 -3.724 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.116 -3.462 -7.158 1.00 0.00 H new ATOM 589 N PRO A 36 6.590 0.520 -6.886 1.00 0.00 N ATOM 590 CA PRO A 36 7.535 1.623 -6.885 1.00 0.00 C ATOM 591 C PRO A 36 8.620 1.414 -5.826 1.00 0.00 C ATOM 592 O PRO A 36 8.335 1.422 -4.630 1.00 0.00 O ATOM 593 CB PRO A 36 6.693 2.863 -6.635 1.00 0.00 C ATOM 594 CG PRO A 36 5.383 2.366 -6.045 1.00 0.00 C ATOM 595 CD PRO A 36 5.311 0.864 -6.271 1.00 0.00 C ATOM 0 HA PRO A 36 8.080 1.711 -7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.196 3.545 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.521 3.411 -7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.332 2.595 -4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.537 2.864 -6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.166 0.329 -5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.476 0.601 -6.920 1.00 0.00 H new ATOM 603 N GLU A 37 9.842 1.232 -6.305 1.00 0.00 N ATOM 604 CA GLU A 37 10.971 1.022 -5.415 1.00 0.00 C ATOM 605 C GLU A 37 11.730 2.333 -5.201 1.00 0.00 C ATOM 606 O GLU A 37 12.124 2.991 -6.162 1.00 0.00 O ATOM 607 CB GLU A 37 11.900 -0.067 -5.956 1.00 0.00 C ATOM 608 CG GLU A 37 12.621 0.406 -7.221 1.00 0.00 C ATOM 609 CD GLU A 37 14.090 0.719 -6.930 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.790 -0.213 -6.479 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.480 1.883 -7.165 1.00 0.00 O ATOM 0 H GLU A 37 10.075 1.226 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 37 10.591 0.684 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.632 -0.336 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.324 -0.966 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.555 -0.363 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.127 1.294 -7.615 1.00 0.00 H new ATOM 618 N ASP A 38 11.912 2.674 -3.933 1.00 0.00 N ATOM 619 CA ASP A 38 12.616 3.895 -3.580 1.00 0.00 C ATOM 620 C ASP A 38 11.877 5.095 -4.176 1.00 0.00 C ATOM 621 O ASP A 38 12.104 5.457 -5.330 1.00 0.00 O ATOM 622 CB ASP A 38 14.040 3.891 -4.139 1.00 0.00 C ATOM 623 CG ASP A 38 15.091 3.255 -3.227 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.711 2.884 -2.095 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.251 3.153 -3.682 1.00 0.00 O ATOM 0 H ASP A 38 11.584 2.126 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 38 12.656 3.959 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.039 3.361 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.336 4.919 -4.347 1.00 0.00 H new ATOM 630 N VAL A 39 11.010 5.679 -3.363 1.00 0.00 N ATOM 631 CA VAL A 39 10.237 6.831 -3.796 1.00 0.00 C ATOM 632 C VAL A 39 10.658 8.057 -2.983 1.00 0.00 C ATOM 633 O VAL A 39 10.972 7.943 -1.799 1.00 0.00 O ATOM 634 CB VAL A 39 8.741 6.528 -3.688 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.168 6.106 -5.043 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.473 5.461 -2.624 1.00 0.00 C ATOM 0 H VAL A 39 10.825 5.376 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 39 10.436 7.052 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 39 8.235 7.443 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.103 5.896 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.310 6.910 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.682 5.210 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.402 5.264 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.997 4.543 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.828 5.815 -1.656 1.00 0.00 H new ATOM 646 N GLU A 40 10.652 9.201 -3.652 1.00 0.00 N ATOM 647 CA GLU A 40 11.029 10.447 -3.006 1.00 0.00 C ATOM 648 C GLU A 40 10.172 10.680 -1.760 1.00 0.00 C ATOM 649 O GLU A 40 9.049 10.187 -1.674 1.00 0.00 O ATOM 650 CB GLU A 40 10.916 11.623 -3.977 1.00 0.00 C ATOM 651 CG GLU A 40 11.447 12.911 -3.343 1.00 0.00 C ATOM 652 CD GLU A 40 12.094 13.814 -4.395 1.00 0.00 C ATOM 653 OE1 GLU A 40 13.283 13.574 -4.696 1.00 0.00 O ATOM 654 OE2 GLU A 40 11.384 14.725 -4.875 1.00 0.00 O ATOM 0 H GLU A 40 10.392 9.291 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 40 12.072 10.372 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.476 11.403 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.875 11.760 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.631 13.443 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.176 12.667 -2.570 1.00 0.00 H new ATOM 661 N THR A 41 10.736 11.432 -0.826 1.00 0.00 N ATOM 662 CA THR A 41 10.038 11.736 0.411 1.00 0.00 C ATOM 663 C THR A 41 8.563 12.031 0.132 1.00 0.00 C ATOM 664 O THR A 41 7.683 11.543 0.841 1.00 0.00 O ATOM 665 CB THR A 41 10.770 12.892 1.095 1.00 0.00 C ATOM 666 OG1 THR A 41 11.533 12.262 2.120 1.00 0.00 O ATOM 667 CG2 THR A 41 9.819 13.820 1.855 1.00 0.00 C ATOM 0 H THR A 41 11.668 11.839 -0.901 1.00 0.00 H new ATOM 0 HA THR A 41 10.044 10.882 1.089 1.00 0.00 H new ATOM 0 HB THR A 41 11.318 13.467 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.041 12.940 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.390 14.623 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.094 14.246 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.295 13.253 2.624 1.00 0.00 H new ATOM 675 N ASN A 42 8.337 12.829 -0.901 1.00 0.00 N ATOM 676 CA ASN A 42 6.983 13.195 -1.282 1.00 0.00 C ATOM 677 C ASN A 42 6.606 12.463 -2.572 1.00 0.00 C ATOM 678 O ASN A 42 6.146 13.083 -3.530 1.00 0.00 O ATOM 679 CB ASN A 42 6.872 14.699 -1.542 1.00 0.00 C ATOM 680 CG ASN A 42 6.522 15.452 -0.258 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.247 14.871 0.779 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.546 16.776 -0.384 1.00 0.00 N ATOM 0 H ASN A 42 9.069 13.233 -1.486 1.00 0.00 H new ATOM 0 HA ASN A 42 6.316 12.920 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.814 15.073 -1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.109 14.886 -2.297 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.326 17.369 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.785 17.199 -1.281 1.00 0.00 H new ATOM 689 N CYS A 43 6.814 11.155 -2.555 1.00 0.00 N ATOM 690 CA CYS A 43 6.501 10.332 -3.710 1.00 0.00 C ATOM 691 C CYS A 43 5.700 9.118 -3.234 1.00 0.00 C ATOM 692 O CYS A 43 4.718 8.731 -3.865 1.00 0.00 O ATOM 693 CB CYS A 43 7.763 9.920 -4.470 1.00 0.00 C ATOM 694 SG CYS A 43 7.468 8.861 -5.933 1.00 0.00 S ATOM 0 H CYS A 43 7.196 10.645 -1.759 1.00 0.00 H new ATOM 0 HA CYS A 43 5.902 10.907 -4.416 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.287 10.820 -4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.426 9.392 -3.785 1.00 0.00 H new ATOM 0 HG CYS A 43 8.568 8.750 -6.617 1.00 0.00 H new ATOM 699 N GLU A 44 6.150 8.551 -2.124 1.00 0.00 N ATOM 700 CA GLU A 44 5.488 7.390 -1.555 1.00 0.00 C ATOM 701 C GLU A 44 3.975 7.487 -1.761 1.00 0.00 C ATOM 702 O GLU A 44 3.304 6.473 -1.949 1.00 0.00 O ATOM 703 CB GLU A 44 5.831 7.234 -0.072 1.00 0.00 C ATOM 704 CG GLU A 44 7.341 7.100 0.131 1.00 0.00 C ATOM 705 CD GLU A 44 7.820 7.983 1.285 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.712 7.516 2.439 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.284 9.105 0.987 1.00 0.00 O ATOM 0 H GLU A 44 6.965 8.875 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 44 5.849 6.501 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.461 8.096 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.327 6.355 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.593 6.059 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.861 7.379 -0.785 1.00 0.00 H new ATOM 714 N TRP A 45 3.483 8.716 -1.720 1.00 0.00 N ATOM 715 CA TRP A 45 2.061 8.959 -1.899 1.00 0.00 C ATOM 716 C TRP A 45 1.723 8.716 -3.372 1.00 0.00 C ATOM 717 O TRP A 45 0.896 7.863 -3.690 1.00 0.00 O ATOM 718 CB TRP A 45 1.680 10.361 -1.422 1.00 0.00 C ATOM 719 CG TRP A 45 1.632 10.508 0.101 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.537 11.085 0.903 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.582 10.045 0.976 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.149 11.028 2.226 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.923 10.375 2.272 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.615 9.369 0.683 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.120 10.070 3.377 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.407 9.071 1.799 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.078 9.397 3.109 1.00 0.00 C ATOM 0 H TRP A 45 4.043 9.554 -1.566 1.00 0.00 H new ATOM 0 HA TRP A 45 1.472 8.274 -1.288 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.396 11.078 -1.824 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.704 10.621 -1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.455 11.538 0.557 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.667 11.397 3.024 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.901 9.101 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.409 10.339 4.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.339 8.552 1.630 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.744 9.132 3.917 1.00 0.00 H new ATOM 738 N SER A 46 2.379 9.482 -4.231 1.00 0.00 N ATOM 739 CA SER A 46 2.158 9.361 -5.662 1.00 0.00 C ATOM 740 C SER A 46 2.353 7.909 -6.101 1.00 0.00 C ATOM 741 O SER A 46 1.822 7.490 -7.128 1.00 0.00 O ATOM 742 CB SER A 46 3.096 10.283 -6.444 1.00 0.00 C ATOM 743 OG SER A 46 3.019 11.632 -5.992 1.00 0.00 O ATOM 0 H SER A 46 3.064 10.189 -3.964 1.00 0.00 H new ATOM 0 HA SER A 46 1.133 9.664 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.121 9.926 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.845 10.241 -7.504 1.00 0.00 H new ATOM 0 HG SER A 46 3.634 12.188 -6.515 1.00 0.00 H new ATOM 749 N ALA A 47 3.118 7.180 -5.300 1.00 0.00 N ATOM 750 CA ALA A 47 3.390 5.783 -5.593 1.00 0.00 C ATOM 751 C ALA A 47 2.233 4.924 -5.081 1.00 0.00 C ATOM 752 O ALA A 47 2.026 3.808 -5.555 1.00 0.00 O ATOM 753 CB ALA A 47 4.731 5.384 -4.975 1.00 0.00 C ATOM 0 H ALA A 47 3.557 7.531 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 47 3.467 5.624 -6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.935 4.336 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.524 6.004 -5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.691 5.527 -3.895 1.00 0.00 H new ATOM 759 N PHE A 48 1.508 5.477 -4.119 1.00 0.00 N ATOM 760 CA PHE A 48 0.377 4.775 -3.537 1.00 0.00 C ATOM 761 C PHE A 48 -0.580 4.282 -4.623 1.00 0.00 C ATOM 762 O PHE A 48 -1.177 3.214 -4.492 1.00 0.00 O ATOM 763 CB PHE A 48 -0.358 5.776 -2.642 1.00 0.00 C ATOM 764 CG PHE A 48 -1.451 5.149 -1.775 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.659 4.843 -2.320 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.215 4.897 -0.459 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.674 4.261 -1.515 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.230 4.315 0.345 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.438 4.010 -0.199 1.00 0.00 C ATOM 0 H PHE A 48 1.682 6.403 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 48 0.726 3.907 -2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.367 6.269 -1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.804 6.549 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.846 5.043 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.256 5.140 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.633 4.018 -1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.042 4.114 1.389 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.210 3.568 0.414 1.00 0.00 H new ATOM 779 N SER A 49 -0.697 5.083 -5.672 1.00 0.00 N ATOM 780 CA SER A 49 -1.572 4.741 -6.781 1.00 0.00 C ATOM 781 C SER A 49 -1.079 3.463 -7.462 1.00 0.00 C ATOM 782 O SER A 49 -1.836 2.506 -7.617 1.00 0.00 O ATOM 783 CB SER A 49 -1.651 5.886 -7.793 1.00 0.00 C ATOM 784 OG SER A 49 -2.962 6.439 -7.872 1.00 0.00 O ATOM 0 H SER A 49 -0.201 5.968 -5.778 1.00 0.00 H new ATOM 0 HA SER A 49 -2.574 4.571 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.944 6.667 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.351 5.523 -8.776 1.00 0.00 H new ATOM 0 HG SER A 49 -2.971 7.168 -8.527 1.00 0.00 H new ATOM 790 N CYS A 50 0.188 3.489 -7.851 1.00 0.00 N ATOM 791 CA CYS A 50 0.791 2.344 -8.512 1.00 0.00 C ATOM 792 C CYS A 50 0.563 1.110 -7.638 1.00 0.00 C ATOM 793 O CYS A 50 0.590 -0.017 -8.130 1.00 0.00 O ATOM 794 CB CYS A 50 2.277 2.575 -8.797 1.00 0.00 C ATOM 795 SG CYS A 50 2.832 2.035 -10.455 1.00 0.00 S ATOM 0 H CYS A 50 0.813 4.285 -7.721 1.00 0.00 H new ATOM 0 HA CYS A 50 0.321 2.191 -9.483 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.493 3.637 -8.685 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.863 2.049 -8.044 1.00 0.00 H new ATOM 0 HG CYS A 50 4.102 2.279 -10.588 1.00 0.00 H new ATOM 800 N PHE A 51 0.342 1.363 -6.356 1.00 0.00 N ATOM 801 CA PHE A 51 0.109 0.286 -5.409 1.00 0.00 C ATOM 802 C PHE A 51 -1.373 -0.092 -5.363 1.00 0.00 C ATOM 803 O PHE A 51 -1.721 -1.265 -5.489 1.00 0.00 O ATOM 804 CB PHE A 51 0.535 0.801 -4.033 1.00 0.00 C ATOM 805 CG PHE A 51 1.931 0.346 -3.602 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.132 -0.936 -3.195 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.969 1.223 -3.628 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.428 -1.358 -2.795 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.265 0.801 -3.228 1.00 0.00 C ATOM 810 CZ PHE A 51 4.467 -0.481 -2.820 1.00 0.00 C ATOM 0 H PHE A 51 0.319 2.299 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 51 0.673 -0.599 -5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.505 1.891 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.190 0.467 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.307 -1.633 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.808 2.240 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.588 -2.376 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.090 1.498 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.452 -0.802 -2.516 1.00 0.00 H new ATOM 820 N GLN A 52 -2.205 0.923 -5.183 1.00 0.00 N ATOM 821 CA GLN A 52 -3.641 0.711 -5.119 1.00 0.00 C ATOM 822 C GLN A 52 -4.179 0.307 -6.493 1.00 0.00 C ATOM 823 O GLN A 52 -5.333 -0.103 -6.616 1.00 0.00 O ATOM 824 CB GLN A 52 -4.356 1.958 -4.595 1.00 0.00 C ATOM 825 CG GLN A 52 -4.397 3.055 -5.661 1.00 0.00 C ATOM 826 CD GLN A 52 -5.786 3.152 -6.296 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.684 2.379 -6.005 1.00 0.00 O ATOM 828 NE2 GLN A 52 -5.910 4.141 -7.177 1.00 0.00 N ATOM 0 H GLN A 52 -1.912 1.895 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.838 -0.102 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.371 1.700 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.845 2.328 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.131 4.012 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.655 2.846 -6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.117 4.752 -7.373 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.798 4.289 -7.656 1.00 0.00 H new ATOM 837 N LYS A 53 -3.319 0.437 -7.492 1.00 0.00 N ATOM 838 CA LYS A 53 -3.694 0.090 -8.853 1.00 0.00 C ATOM 839 C LYS A 53 -3.192 -1.320 -9.172 1.00 0.00 C ATOM 840 O LYS A 53 -3.795 -2.030 -9.975 1.00 0.00 O ATOM 841 CB LYS A 53 -3.199 1.156 -9.833 1.00 0.00 C ATOM 842 CG LYS A 53 -3.140 0.604 -11.259 1.00 0.00 C ATOM 843 CD LYS A 53 -3.406 1.707 -12.285 1.00 0.00 C ATOM 844 CE LYS A 53 -2.297 1.756 -13.338 1.00 0.00 C ATOM 845 NZ LYS A 53 -2.602 2.776 -14.365 1.00 0.00 N ATOM 0 H LYS A 53 -2.363 0.778 -7.387 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.779 0.073 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.862 2.021 -9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.210 1.501 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.161 0.161 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.876 -0.191 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.366 1.533 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.475 2.670 -11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.344 1.986 -12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.191 0.778 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.839 2.796 -15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.501 2.540 -14.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.681 3.710 -13.914 1.00 0.00 H new ATOM 859 N ALA A 54 -2.093 -1.682 -8.527 1.00 0.00 N ATOM 860 CA ALA A 54 -1.503 -2.994 -8.732 1.00 0.00 C ATOM 861 C ALA A 54 -2.611 -4.050 -8.744 1.00 0.00 C ATOM 862 O ALA A 54 -2.565 -4.993 -9.533 1.00 0.00 O ATOM 863 CB ALA A 54 -0.457 -3.259 -7.647 1.00 0.00 C ATOM 0 H ALA A 54 -1.596 -1.090 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.993 -3.040 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.014 -4.243 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.322 -2.499 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.933 -3.224 -6.667 1.00 0.00 H new ATOM 869 N GLN A 55 -3.579 -3.856 -7.861 1.00 0.00 N ATOM 870 CA GLN A 55 -4.696 -4.780 -7.760 1.00 0.00 C ATOM 871 C GLN A 55 -4.199 -6.173 -7.369 1.00 0.00 C ATOM 872 O GLN A 55 -3.604 -6.876 -8.185 1.00 0.00 O ATOM 873 CB GLN A 55 -5.488 -4.828 -9.068 1.00 0.00 C ATOM 874 CG GLN A 55 -6.539 -5.938 -9.033 1.00 0.00 C ATOM 875 CD GLN A 55 -7.439 -5.881 -10.269 1.00 0.00 C ATOM 876 OE1 GLN A 55 -8.185 -4.940 -10.482 1.00 0.00 O ATOM 877 NE2 GLN A 55 -7.328 -6.938 -11.068 1.00 0.00 N ATOM 0 H GLN A 55 -3.613 -3.073 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.368 -4.423 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.974 -3.867 -9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.807 -4.993 -9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.046 -6.909 -8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.145 -5.841 -8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.683 -7.692 -10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.888 -6.995 -11.919 1.00 0.00 H new ATOM 886 N LEU A 56 -4.461 -6.531 -6.121 1.00 0.00 N ATOM 887 CA LEU A 56 -4.048 -7.828 -5.611 1.00 0.00 C ATOM 888 C LEU A 56 -5.020 -8.900 -6.109 1.00 0.00 C ATOM 889 O LEU A 56 -6.234 -8.708 -6.070 1.00 0.00 O ATOM 890 CB LEU A 56 -3.907 -7.785 -4.089 1.00 0.00 C ATOM 891 CG LEU A 56 -3.604 -9.120 -3.405 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.815 -10.052 -3.462 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.353 -9.769 -4.001 1.00 0.00 C ATOM 0 H LEU A 56 -4.954 -5.945 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.061 -8.090 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.113 -7.082 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.831 -7.386 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.396 -8.926 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.573 -10.994 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.659 -9.584 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.078 -10.244 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.160 -10.716 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.508 -9.949 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.499 -9.105 -3.866 1.00 0.00 H new ATOM 905 N LYS A 57 -4.449 -10.005 -6.565 1.00 0.00 N ATOM 906 CA LYS A 57 -5.249 -11.107 -7.070 1.00 0.00 C ATOM 907 C LYS A 57 -4.761 -12.415 -6.443 1.00 0.00 C ATOM 908 O LYS A 57 -3.562 -12.689 -6.423 1.00 0.00 O ATOM 909 CB LYS A 57 -5.242 -11.118 -8.600 1.00 0.00 C ATOM 910 CG LYS A 57 -6.604 -11.543 -9.152 1.00 0.00 C ATOM 911 CD LYS A 57 -7.624 -10.410 -9.025 1.00 0.00 C ATOM 912 CE LYS A 57 -9.039 -10.909 -9.328 1.00 0.00 C ATOM 913 NZ LYS A 57 -10.046 -9.968 -8.788 1.00 0.00 N ATOM 0 H LYS A 57 -3.441 -10.161 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.293 -10.984 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.988 -10.126 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.471 -11.800 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.503 -11.831 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.961 -12.421 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.589 -9.995 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.364 -9.604 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.171 -11.014 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.184 -11.897 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.001 -10.321 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.929 -9.888 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.917 -9.033 -9.225 1.00 0.00 H new ATOM 927 N SER A 58 -5.716 -13.188 -5.946 1.00 0.00 N ATOM 928 CA SER A 58 -5.398 -14.460 -5.320 1.00 0.00 C ATOM 929 C SER A 58 -5.397 -15.573 -6.369 1.00 0.00 C ATOM 930 O SER A 58 -6.055 -15.459 -7.402 1.00 0.00 O ATOM 931 CB SER A 58 -6.390 -14.786 -4.202 1.00 0.00 C ATOM 932 OG SER A 58 -6.635 -16.186 -4.097 1.00 0.00 O ATOM 0 H SER A 58 -6.710 -12.958 -5.964 1.00 0.00 H new ATOM 0 HA SER A 58 -4.405 -14.385 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.003 -14.414 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.330 -14.266 -4.388 1.00 0.00 H new ATOM 0 HG SER A 58 -7.595 -16.358 -4.191 1.00 0.00 H new ATOM 938 N ALA A 59 -4.649 -16.625 -6.069 1.00 0.00 N ATOM 939 CA ALA A 59 -4.553 -17.758 -6.973 1.00 0.00 C ATOM 940 C ALA A 59 -5.945 -18.357 -7.184 1.00 0.00 C ATOM 941 O ALA A 59 -6.159 -19.126 -8.120 1.00 0.00 O ATOM 942 CB ALA A 59 -3.559 -18.777 -6.412 1.00 0.00 C ATOM 0 H ALA A 59 -4.104 -16.716 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.180 -17.441 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.487 -19.627 -7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.579 -18.311 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.902 -19.120 -5.436 1.00 0.00 H new ATOM 948 N ASN A 60 -6.855 -17.982 -6.297 1.00 0.00 N ATOM 949 CA ASN A 60 -8.221 -18.472 -6.374 1.00 0.00 C ATOM 950 C ASN A 60 -8.209 -20.002 -6.377 1.00 0.00 C ATOM 951 O ASN A 60 -8.623 -20.628 -7.352 1.00 0.00 O ATOM 952 CB ASN A 60 -8.904 -18.002 -7.660 1.00 0.00 C ATOM 953 CG ASN A 60 -8.351 -16.648 -8.110 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.470 -15.642 -7.431 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.741 -16.680 -9.292 1.00 0.00 N ATOM 0 H ASN A 60 -6.673 -17.345 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.767 -18.085 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.753 -18.741 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.979 -17.924 -7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.338 -15.828 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.676 -17.557 -9.809 1.00 0.00 H new ATOM 997 N ASN A 64 -9.725 -18.883 1.505 1.00 0.00 N ATOM 998 CA ASN A 64 -9.240 -17.545 1.799 1.00 0.00 C ATOM 999 C ASN A 64 -9.583 -16.615 0.634 1.00 0.00 C ATOM 1000 O ASN A 64 -9.622 -15.396 0.798 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.721 -17.537 1.979 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.262 -18.730 2.820 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.942 -19.182 3.726 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.074 -19.213 2.469 1.00 0.00 N ATOM 0 HA ASN A 64 -9.714 -17.210 2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.236 -17.567 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.413 -16.609 2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.680 -20.010 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.557 -18.787 1.700 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.824 -17.225 -0.518 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.162 -16.467 -1.710 1.00 0.00 C ATOM 1013 C GLU A 65 -11.145 -15.346 -1.365 1.00 0.00 C ATOM 1014 O GLU A 65 -11.183 -14.319 -2.042 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.732 -17.380 -2.797 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.792 -16.658 -4.145 1.00 0.00 C ATOM 1017 CD GLU A 65 -12.202 -16.133 -4.423 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.721 -15.407 -3.548 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.729 -16.471 -5.505 1.00 0.00 O ATOM 0 H GLU A 65 -9.792 -18.236 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.250 -16.017 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.115 -18.274 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.731 -17.710 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.084 -15.829 -4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.490 -17.339 -4.940 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.914 -15.580 -0.313 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.894 -14.602 0.130 1.00 0.00 C ATOM 1028 C ARG A 66 -12.243 -13.587 1.071 1.00 0.00 C ATOM 1029 O ARG A 66 -12.485 -12.386 0.959 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.061 -15.280 0.851 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.083 -14.247 1.332 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.783 -13.577 0.148 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.755 -14.512 -0.461 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.684 -14.152 -1.356 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -17.774 -12.875 -1.753 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.525 -15.069 -1.855 1.00 0.00 N ATOM 0 H ARG A 66 -11.879 -16.432 0.246 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.275 -14.091 -0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.544 -15.990 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.686 -15.849 1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.822 -14.731 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.584 -13.492 1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.294 -12.674 0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.046 -13.271 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.715 -15.492 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.135 -12.177 -1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.482 -12.602 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.457 -16.041 -1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.233 -14.795 -2.537 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.428 -14.106 1.978 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.740 -13.259 2.938 1.00 0.00 C ATOM 1052 C ILE A 67 -9.731 -12.377 2.201 1.00 0.00 C ATOM 1053 O ILE A 67 -9.162 -11.456 2.787 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.120 -14.106 4.051 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -9.997 -13.303 5.347 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -8.776 -14.692 3.610 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.343 -12.691 5.742 1.00 0.00 C ATOM 0 H ILE A 67 -11.229 -15.102 2.068 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.446 -12.592 3.433 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.786 -14.944 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.639 -13.950 6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.257 -12.513 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.357 -15.290 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.924 -15.322 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.089 -13.882 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.228 -12.125 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.687 -12.026 4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.074 -13.486 5.891 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.538 -12.689 0.928 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.607 -11.935 0.106 1.00 0.00 C ATOM 1071 C ILE A 68 -9.358 -10.807 -0.604 1.00 0.00 C ATOM 1072 O ILE A 68 -8.894 -9.668 -0.631 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.857 -12.869 -0.846 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.394 -13.022 -0.424 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.988 -12.395 -2.296 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.196 -14.286 0.416 1.00 0.00 C ATOM 0 H ILE A 68 -10.010 -13.454 0.446 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.842 -11.468 0.726 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.315 -13.856 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.759 -13.066 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.083 -12.148 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.446 -13.076 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.040 -12.379 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.571 -11.392 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.148 -14.372 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.814 -14.228 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.485 -15.160 -0.168 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.506 -11.163 -1.162 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.326 -10.194 -1.870 1.00 0.00 C ATOM 1090 C ASN A 69 -11.599 -8.998 -0.956 1.00 0.00 C ATOM 1091 O ASN A 69 -11.887 -7.901 -1.433 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.673 -10.800 -2.270 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.574 -9.750 -2.922 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -14.476 -9.203 -2.310 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -13.281 -9.501 -4.196 1.00 0.00 N ATOM 0 H ASN A 69 -10.888 -12.109 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.787 -9.888 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.513 -11.627 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.166 -11.212 -1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.826 -8.816 -4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.512 -9.995 -4.648 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.497 -9.250 0.340 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.729 -8.207 1.325 1.00 0.00 C ATOM 1104 C VAL A 70 -10.552 -7.230 1.314 1.00 0.00 C ATOM 1105 O VAL A 70 -10.738 -6.026 1.483 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.975 -8.831 2.700 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.919 -10.030 2.597 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.656 -9.228 3.366 1.00 0.00 C ATOM 0 H VAL A 70 -11.257 -10.161 0.731 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.625 -7.639 1.076 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.455 -8.080 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.077 -10.455 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.875 -9.706 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.479 -10.784 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.859 -9.669 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.137 -9.954 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.031 -8.344 3.491 1.00 0.00 H new ATOM 1118 N SER A 71 -9.366 -7.784 1.114 1.00 0.00 N ATOM 1119 CA SER A 71 -8.158 -6.977 1.079 1.00 0.00 C ATOM 1120 C SER A 71 -8.152 -6.099 -0.175 1.00 0.00 C ATOM 1121 O SER A 71 -7.328 -5.195 -0.299 1.00 0.00 O ATOM 1122 CB SER A 71 -6.906 -7.856 1.118 1.00 0.00 C ATOM 1123 OG SER A 71 -6.732 -8.590 -0.091 1.00 0.00 O ATOM 0 H SER A 71 -9.215 -8.783 0.974 1.00 0.00 H new ATOM 0 HA SER A 71 -8.147 -6.339 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.030 -7.232 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.975 -8.549 1.956 1.00 0.00 H new ATOM 0 HG SER A 71 -7.435 -9.268 -0.166 1.00 0.00 H new ATOM 1129 N ILE A 72 -9.080 -6.398 -1.072 1.00 0.00 N ATOM 1130 CA ILE A 72 -9.192 -5.647 -2.311 1.00 0.00 C ATOM 1131 C ILE A 72 -9.769 -4.262 -2.013 1.00 0.00 C ATOM 1132 O ILE A 72 -9.097 -3.251 -2.207 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.994 -6.438 -3.346 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -9.595 -7.916 -3.336 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.858 -5.817 -4.737 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.129 -8.090 -3.736 1.00 0.00 C ATOM 0 H ILE A 72 -9.761 -7.150 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.208 -5.494 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.048 -6.387 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.757 -8.333 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.232 -8.473 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.438 -6.399 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.230 -4.793 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.809 -5.816 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.871 -9.149 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.976 -7.694 -4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.494 -7.552 -3.033 1.00 0.00 H new ATOM 1148 N LYS A 73 -11.009 -4.261 -1.546 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.685 -3.017 -1.219 1.00 0.00 C ATOM 1150 C LYS A 73 -10.710 -2.088 -0.492 1.00 0.00 C ATOM 1151 O LYS A 73 -10.580 -0.918 -0.848 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.970 -3.295 -0.437 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.194 -3.229 -1.352 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.044 -4.494 -1.222 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.044 -4.603 -2.375 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.226 -3.750 -2.119 1.00 0.00 N ATOM 0 H LYS A 73 -11.563 -5.102 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.998 -2.503 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.911 -4.279 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.074 -2.568 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.795 -2.355 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.873 -3.107 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.398 -5.372 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.579 -4.481 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.567 -4.303 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.356 -5.640 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.894 -3.836 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.690 -4.055 -1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.925 -2.759 -2.026 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.052 -2.645 0.514 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.093 -1.881 1.295 1.00 0.00 C ATOM 1172 C LYS A 74 -7.902 -1.508 0.409 1.00 0.00 C ATOM 1173 O LYS A 74 -7.684 -0.333 0.118 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.702 -2.646 2.561 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.906 -2.821 3.490 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.277 -1.497 4.160 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.755 -1.168 3.944 1.00 0.00 C ATOM 1178 NZ LYS A 74 -11.988 -0.718 2.553 1.00 0.00 N ATOM 0 H LYS A 74 -10.164 -3.616 0.806 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.539 -0.948 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.302 -3.623 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.910 -2.110 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.757 -3.196 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.677 -3.567 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.066 -1.554 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.659 -0.695 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.364 -2.047 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.066 -0.390 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.969 -0.387 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.336 0.059 2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.823 -1.510 1.900 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.163 -2.531 0.005 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.000 -2.326 -0.841 1.00 0.00 C ATOM 1194 C LEU A 75 -6.317 -1.252 -1.884 1.00 0.00 C ATOM 1195 O LEU A 75 -5.482 -0.395 -2.171 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.537 -3.652 -1.446 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.367 -3.569 -2.429 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.077 -4.088 -1.791 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.694 -4.298 -3.734 1.00 0.00 C ATOM 0 H LEU A 75 -7.347 -3.504 0.248 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.159 -1.961 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.256 -4.321 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.383 -4.110 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.204 -2.520 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.261 -4.018 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.839 -3.488 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.211 -5.128 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.846 -4.224 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.899 -5.348 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.570 -3.843 -4.195 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.525 -1.332 -2.422 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.962 -0.377 -3.426 1.00 0.00 C ATOM 1213 C LYS A 76 -8.413 0.911 -2.736 1.00 0.00 C ATOM 1214 O LYS A 76 -9.532 1.376 -2.951 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.031 -0.999 -4.327 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.708 -0.764 -5.804 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.789 0.088 -6.473 1.00 0.00 C ATOM 1218 CE LYS A 76 -10.932 -0.786 -6.992 1.00 0.00 C ATOM 1219 NZ LYS A 76 -12.112 0.045 -7.319 1.00 0.00 N ATOM 0 H LYS A 76 -8.215 -2.044 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.136 -0.113 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.098 -2.069 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.005 -0.570 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.742 -0.268 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.624 -1.721 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.177 0.815 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.354 0.652 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.607 -1.332 -7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.200 -1.529 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.879 -0.564 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.431 0.546 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.857 0.737 -8.052 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.520 1.452 -1.920 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.813 2.678 -1.197 1.00 0.00 C ATOM 1235 C ARG A 77 -7.535 3.895 -2.082 1.00 0.00 C ATOM 1236 O ARG A 77 -6.904 3.774 -3.131 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.972 2.780 0.077 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.814 3.286 1.250 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.523 2.128 1.955 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.537 2.653 2.896 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.732 3.131 2.524 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -11.071 3.152 1.227 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.589 3.587 3.448 1.00 0.00 N ATOM 0 H ARG A 77 -6.593 1.064 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.868 2.657 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.553 1.803 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.132 3.454 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.176 3.813 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.551 4.004 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.999 1.480 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.796 1.519 2.493 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.312 2.651 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.419 2.804 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.981 3.516 0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.332 3.570 4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.499 3.951 3.164 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.020 5.041 -1.627 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.832 6.279 -2.364 1.00 0.00 C ATOM 1259 C LYS A 78 -6.782 7.136 -1.654 1.00 0.00 C ATOM 1260 O LYS A 78 -6.736 7.176 -0.425 1.00 0.00 O ATOM 1261 CB LYS A 78 -9.171 6.990 -2.567 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.705 6.759 -3.983 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.693 8.058 -4.792 1.00 0.00 C ATOM 1264 CE LYS A 78 -11.116 8.568 -5.031 1.00 0.00 C ATOM 1265 NZ LYS A 78 -11.092 9.974 -5.491 1.00 0.00 N ATOM 0 H LYS A 78 -8.543 5.138 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.452 6.073 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.895 6.626 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.050 8.059 -2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.097 6.007 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.721 6.367 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.116 8.815 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.197 7.891 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.612 7.944 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.696 8.490 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.065 10.304 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.637 10.568 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.556 10.039 -6.380 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.943 7.818 -2.478 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.897 8.672 -1.942 1.00 0.00 C ATOM 1281 C PRO A 79 -5.480 9.978 -1.398 1.00 0.00 C ATOM 1282 O PRO A 79 -6.677 10.231 -1.531 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.934 8.888 -3.098 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.709 8.536 -4.357 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.968 7.795 -3.938 1.00 0.00 C ATOM 0 HA PRO A 79 -4.383 8.224 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.587 9.921 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.051 8.258 -2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.964 9.438 -4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.103 7.916 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.862 8.282 -4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.971 6.773 -4.318 1.00 0.00 H new ATOM 1628 N LYS A 102 8.169 -5.134 -12.919 1.00 0.00 N ATOM 1629 CA LYS A 102 7.088 -5.584 -12.059 1.00 0.00 C ATOM 1630 C LYS A 102 7.675 -6.321 -10.853 1.00 0.00 C ATOM 1631 O LYS A 102 8.855 -6.166 -10.540 1.00 0.00 O ATOM 1632 CB LYS A 102 6.079 -6.414 -12.855 1.00 0.00 C ATOM 1633 CG LYS A 102 5.729 -5.729 -14.178 1.00 0.00 C ATOM 1634 CD LYS A 102 4.641 -4.672 -13.977 1.00 0.00 C ATOM 1635 CE LYS A 102 5.251 -3.276 -13.843 1.00 0.00 C ATOM 1636 NZ LYS A 102 4.510 -2.304 -14.678 1.00 0.00 N ATOM 0 HA LYS A 102 6.529 -4.732 -11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.491 -7.404 -13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.174 -6.557 -12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.621 -5.263 -14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.389 -6.473 -14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.950 -4.691 -14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.061 -4.907 -13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.227 -2.961 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.298 -3.300 -14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.937 -1.361 -14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.555 -2.598 -15.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.517 -2.269 -14.371 1.00 0.00 H new ATOM 1650 N LYS A 103 6.825 -7.107 -10.209 1.00 0.00 N ATOM 1651 CA LYS A 103 7.244 -7.868 -9.045 1.00 0.00 C ATOM 1652 C LYS A 103 6.106 -8.791 -8.607 1.00 0.00 C ATOM 1653 O LYS A 103 4.974 -8.648 -9.067 1.00 0.00 O ATOM 1654 CB LYS A 103 7.735 -6.930 -7.940 1.00 0.00 C ATOM 1655 CG LYS A 103 9.256 -7.005 -7.793 1.00 0.00 C ATOM 1656 CD LYS A 103 9.837 -5.644 -7.404 1.00 0.00 C ATOM 1657 CE LYS A 103 11.194 -5.415 -8.072 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.151 -4.820 -7.112 1.00 0.00 N ATOM 0 H LYS A 103 5.848 -7.233 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 103 8.094 -8.505 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.438 -5.906 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.261 -7.196 -6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.516 -7.745 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.700 -7.339 -8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.146 -4.853 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.947 -5.588 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.586 -6.361 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.076 -4.756 -8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.067 -4.671 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.783 -3.908 -6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.277 -5.462 -6.304 1.00 0.00 H new ATOM 1672 N PRO A 104 6.454 -9.743 -7.699 1.00 0.00 N ATOM 1673 CA PRO A 104 5.474 -10.689 -7.194 1.00 0.00 C ATOM 1674 C PRO A 104 4.535 -10.022 -6.187 1.00 0.00 C ATOM 1675 O PRO A 104 4.735 -8.865 -5.819 1.00 0.00 O ATOM 1676 CB PRO A 104 6.292 -11.817 -6.587 1.00 0.00 C ATOM 1677 CG PRO A 104 7.682 -11.246 -6.358 1.00 0.00 C ATOM 1678 CD PRO A 104 7.784 -9.942 -7.132 1.00 0.00 C ATOM 0 HA PRO A 104 4.815 -11.068 -7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.851 -12.159 -5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.328 -12.677 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.853 -11.074 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.444 -11.950 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.064 -9.115 -6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.542 -10.003 -7.913 1.00 0.00 H new ATOM 1686 N PRO A 105 3.505 -10.800 -5.758 1.00 0.00 N ATOM 1687 CA PRO A 105 2.536 -10.296 -4.800 1.00 0.00 C ATOM 1688 C PRO A 105 3.131 -10.247 -3.391 1.00 0.00 C ATOM 1689 O PRO A 105 2.990 -9.247 -2.689 1.00 0.00 O ATOM 1690 CB PRO A 105 1.348 -11.238 -4.910 1.00 0.00 C ATOM 1691 CG PRO A 105 1.875 -12.496 -5.581 1.00 0.00 C ATOM 1692 CD PRO A 105 3.238 -12.174 -6.172 1.00 0.00 C ATOM 0 HA PRO A 105 2.235 -9.269 -5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.936 -11.463 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.546 -10.789 -5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.954 -13.309 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.190 -12.828 -6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.002 -12.856 -5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.231 -12.266 -7.258 1.00 0.00 H new ATOM 1700 N LYS A 106 3.784 -11.339 -3.021 1.00 0.00 N ATOM 1701 CA LYS A 106 4.401 -11.433 -1.709 1.00 0.00 C ATOM 1702 C LYS A 106 5.295 -10.212 -1.482 1.00 0.00 C ATOM 1703 O LYS A 106 5.301 -9.636 -0.395 1.00 0.00 O ATOM 1704 CB LYS A 106 5.132 -12.768 -1.555 1.00 0.00 C ATOM 1705 CG LYS A 106 5.873 -13.139 -2.842 1.00 0.00 C ATOM 1706 CD LYS A 106 7.275 -13.669 -2.535 1.00 0.00 C ATOM 1707 CE LYS A 106 7.438 -15.107 -3.031 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.838 -15.557 -2.863 1.00 0.00 N ATOM 0 H LYS A 106 3.899 -12.166 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 106 3.640 -11.421 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.840 -12.706 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.417 -13.551 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.306 -13.894 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.945 -12.265 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.021 -13.030 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.456 -13.628 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.769 -15.767 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.153 -15.170 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.932 -16.535 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.470 -14.937 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.098 -15.515 -1.857 1.00 0.00 H new ATOM 1722 N GLU A 107 6.029 -9.854 -2.525 1.00 0.00 N ATOM 1723 CA GLU A 107 6.925 -8.712 -2.454 1.00 0.00 C ATOM 1724 C GLU A 107 6.131 -7.408 -2.545 1.00 0.00 C ATOM 1725 O GLU A 107 6.316 -6.506 -1.729 1.00 0.00 O ATOM 1726 CB GLU A 107 7.991 -8.782 -3.548 1.00 0.00 C ATOM 1727 CG GLU A 107 9.241 -9.512 -3.050 1.00 0.00 C ATOM 1728 CD GLU A 107 10.380 -8.526 -2.780 1.00 0.00 C ATOM 1729 OE1 GLU A 107 11.007 -8.098 -3.773 1.00 0.00 O ATOM 1730 OE2 GLU A 107 10.597 -8.223 -1.587 1.00 0.00 O ATOM 0 H GLU A 107 6.022 -10.335 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 107 7.437 -8.737 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.588 -9.296 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.257 -7.774 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.007 -10.061 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.558 -10.245 -3.791 1.00 0.00 H new ATOM 1737 N PHE A 108 5.263 -7.349 -3.544 1.00 0.00 N ATOM 1738 CA PHE A 108 4.439 -6.170 -3.752 1.00 0.00 C ATOM 1739 C PHE A 108 3.741 -5.753 -2.457 1.00 0.00 C ATOM 1740 O PHE A 108 3.555 -4.564 -2.202 1.00 0.00 O ATOM 1741 CB PHE A 108 3.380 -6.542 -4.792 1.00 0.00 C ATOM 1742 CG PHE A 108 2.171 -5.605 -4.811 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.353 -4.263 -4.932 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.914 -6.114 -4.706 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.231 -3.393 -4.950 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.208 -5.244 -4.724 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.026 -3.902 -4.846 1.00 0.00 C ATOM 0 H PHE A 108 5.112 -8.099 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 108 5.059 -5.337 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.841 -6.544 -5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.036 -7.558 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.351 -3.859 -5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.769 -7.180 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.376 -2.327 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.206 -5.648 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.879 -3.240 -4.860 1.00 0.00 H new ATOM 1757 N LEU A 109 3.373 -6.755 -1.671 1.00 0.00 N ATOM 1758 CA LEU A 109 2.699 -6.507 -0.408 1.00 0.00 C ATOM 1759 C LEU A 109 3.740 -6.185 0.666 1.00 0.00 C ATOM 1760 O LEU A 109 3.547 -5.273 1.468 1.00 0.00 O ATOM 1761 CB LEU A 109 1.787 -7.682 -0.048 1.00 0.00 C ATOM 1762 CG LEU A 109 0.399 -7.676 -0.692 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.286 -6.321 -0.503 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.476 -8.079 -2.165 1.00 0.00 C ATOM 0 H LEU A 109 3.529 -7.740 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 109 2.045 -5.639 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.292 -8.607 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.663 -7.702 1.035 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.216 -8.421 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.271 -6.343 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.394 -6.113 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.318 -5.540 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.524 -8.067 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.113 -7.376 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.894 -9.082 -2.246 1.00 0.00 H new ATOM 1776 N GLU A 110 4.821 -6.951 0.645 1.00 0.00 N ATOM 1777 CA GLU A 110 5.893 -6.758 1.607 1.00 0.00 C ATOM 1778 C GLU A 110 6.413 -5.321 1.541 1.00 0.00 C ATOM 1779 O GLU A 110 6.980 -4.817 2.510 1.00 0.00 O ATOM 1780 CB GLU A 110 7.024 -7.763 1.376 1.00 0.00 C ATOM 1781 CG GLU A 110 8.129 -7.593 2.421 1.00 0.00 C ATOM 1782 CD GLU A 110 9.479 -7.324 1.752 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.913 -8.203 0.977 1.00 0.00 O ATOM 1784 OE2 GLU A 110 10.045 -6.245 2.031 1.00 0.00 O ATOM 0 H GLU A 110 4.978 -7.706 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 110 5.495 -6.933 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.629 -8.778 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.439 -7.626 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.879 -6.769 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.196 -8.491 3.035 1.00 0.00 H new ATOM 1791 N ARG A 111 6.203 -4.702 0.389 1.00 0.00 N ATOM 1792 CA ARG A 111 6.645 -3.333 0.183 1.00 0.00 C ATOM 1793 C ARG A 111 5.514 -2.356 0.512 1.00 0.00 C ATOM 1794 O ARG A 111 5.727 -1.367 1.212 1.00 0.00 O ATOM 1795 CB ARG A 111 7.098 -3.111 -1.261 1.00 0.00 C ATOM 1796 CG ARG A 111 8.440 -3.795 -1.526 1.00 0.00 C ATOM 1797 CD ARG A 111 9.605 -2.842 -1.249 1.00 0.00 C ATOM 1798 NE ARG A 111 10.333 -3.272 -0.034 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.104 -2.463 0.706 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.251 -1.177 0.360 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.727 -2.940 1.792 1.00 0.00 N ATOM 0 H ARG A 111 5.732 -5.123 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 111 7.490 -3.154 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.345 -3.501 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.185 -2.043 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.532 -4.680 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.481 -4.134 -2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.283 -2.826 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.232 -1.826 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 111 10.242 -4.245 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.776 -0.814 -0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.838 -0.561 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.615 -3.919 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.314 -2.324 2.355 1.00 0.00 H new ATOM 1815 N PHE A 112 4.336 -2.667 -0.009 1.00 0.00 N ATOM 1816 CA PHE A 112 3.172 -1.829 0.220 1.00 0.00 C ATOM 1817 C PHE A 112 3.028 -1.484 1.704 1.00 0.00 C ATOM 1818 O PHE A 112 3.025 -0.311 2.075 1.00 0.00 O ATOM 1819 CB PHE A 112 1.948 -2.632 -0.226 1.00 0.00 C ATOM 1820 CG PHE A 112 0.755 -1.768 -0.642 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.660 -0.484 -0.205 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.210 -2.285 -1.449 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.447 0.317 -0.591 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.317 -1.484 -1.835 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.412 -0.200 -1.398 1.00 0.00 C ATOM 0 H PHE A 112 4.163 -3.488 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 112 3.271 -0.896 -0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.230 -3.271 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.641 -3.290 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.426 -0.073 0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.134 -3.305 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.523 1.337 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.083 -1.895 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.254 0.409 -1.692 1.00 0.00 H new ATOM 1835 N LYS A 113 2.912 -2.527 2.512 1.00 0.00 N ATOM 1836 CA LYS A 113 2.768 -2.350 3.947 1.00 0.00 C ATOM 1837 C LYS A 113 3.848 -1.389 4.449 1.00 0.00 C ATOM 1838 O LYS A 113 3.569 -0.501 5.253 1.00 0.00 O ATOM 1839 CB LYS A 113 2.772 -3.704 4.658 1.00 0.00 C ATOM 1840 CG LYS A 113 3.324 -3.577 6.079 1.00 0.00 C ATOM 1841 CD LYS A 113 4.822 -3.884 6.115 1.00 0.00 C ATOM 1842 CE LYS A 113 5.500 -3.173 7.288 1.00 0.00 C ATOM 1843 NZ LYS A 113 6.647 -3.966 7.783 1.00 0.00 N ATOM 0 H LYS A 113 2.915 -3.498 2.200 1.00 0.00 H new ATOM 0 HA LYS A 113 1.804 -1.897 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.758 -4.103 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.375 -4.414 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.147 -2.569 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.793 -4.261 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.974 -4.960 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.284 -3.570 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.841 -2.186 6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.781 -3.021 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.095 -3.469 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.313 -4.898 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.340 -4.089 7.017 1.00 0.00 H new ATOM 1857 N SER A 114 5.059 -1.599 3.953 1.00 0.00 N ATOM 1858 CA SER A 114 6.182 -0.763 4.341 1.00 0.00 C ATOM 1859 C SER A 114 5.938 0.680 3.895 1.00 0.00 C ATOM 1860 O SER A 114 5.969 1.599 4.711 1.00 0.00 O ATOM 1861 CB SER A 114 7.490 -1.289 3.747 1.00 0.00 C ATOM 1862 OG SER A 114 7.728 -0.774 2.440 1.00 0.00 O ATOM 0 H SER A 114 5.287 -2.336 3.286 1.00 0.00 H new ATOM 0 HA SER A 114 6.271 -0.790 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.320 -1.018 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.458 -2.378 3.707 1.00 0.00 H new ATOM 0 HG SER A 114 7.109 -1.192 1.806 1.00 0.00 H new ATOM 1868 N LEU A 115 5.702 0.834 2.600 1.00 0.00 N ATOM 1869 CA LEU A 115 5.453 2.149 2.036 1.00 0.00 C ATOM 1870 C LEU A 115 4.499 2.920 2.950 1.00 0.00 C ATOM 1871 O LEU A 115 4.775 4.059 3.323 1.00 0.00 O ATOM 1872 CB LEU A 115 4.959 2.029 0.593 1.00 0.00 C ATOM 1873 CG LEU A 115 4.942 3.325 -0.221 1.00 0.00 C ATOM 1874 CD1 LEU A 115 3.689 4.148 0.085 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.225 4.129 0.002 1.00 0.00 C ATOM 0 H LEU A 115 5.678 0.069 1.926 1.00 0.00 H new ATOM 0 HA LEU A 115 6.379 2.722 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.588 1.306 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.949 1.620 0.609 1.00 0.00 H new ATOM 0 HG LEU A 115 4.905 3.064 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.702 5.064 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.802 3.567 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.670 4.401 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.188 5.045 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.317 4.381 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.085 3.534 -0.306 1.00 0.00 H new ATOM 1887 N LEU A 116 3.395 2.267 3.285 1.00 0.00 N ATOM 1888 CA LEU A 116 2.398 2.877 4.149 1.00 0.00 C ATOM 1889 C LEU A 116 3.055 3.286 5.469 1.00 0.00 C ATOM 1890 O LEU A 116 2.996 4.450 5.861 1.00 0.00 O ATOM 1891 CB LEU A 116 1.198 1.944 4.322 1.00 0.00 C ATOM 1892 CG LEU A 116 0.566 1.417 3.032 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.174 -0.055 3.176 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.619 2.287 2.607 1.00 0.00 C ATOM 0 H LEU A 116 3.169 1.322 2.974 1.00 0.00 H new ATOM 0 HA LEU A 116 2.003 3.786 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.510 1.091 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.431 2.472 4.889 1.00 0.00 H new ATOM 0 HG LEU A 116 1.310 1.476 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.273 -0.405 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.061 -0.648 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.546 -0.162 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.050 1.891 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.374 2.283 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.278 3.308 2.437 1.00 0.00 H new ATOM 1906 N GLN A 117 3.667 2.305 6.118 1.00 0.00 N ATOM 1907 CA GLN A 117 4.334 2.549 7.385 1.00 0.00 C ATOM 1908 C GLN A 117 5.526 3.487 7.186 1.00 0.00 C ATOM 1909 O GLN A 117 6.150 3.917 8.154 1.00 0.00 O ATOM 1910 CB GLN A 117 4.772 1.235 8.035 1.00 0.00 C ATOM 1911 CG GLN A 117 3.566 0.455 8.563 1.00 0.00 C ATOM 1912 CD GLN A 117 3.547 0.443 10.093 1.00 0.00 C ATOM 1913 OE1 GLN A 117 4.554 0.640 10.753 1.00 0.00 O ATOM 1914 NE2 GLN A 117 2.349 0.203 10.617 1.00 0.00 N ATOM 0 H GLN A 117 3.714 1.340 5.790 1.00 0.00 H new ATOM 0 HA GLN A 117 3.626 3.032 8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.312 0.628 7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.462 1.442 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 117 2.646 0.903 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 117 3.598 -0.568 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 117 1.547 0.047 10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 117 2.232 0.175 11.630 1.00 0.00 H new ATOM 1923 N LYS A 118 5.807 3.775 5.923 1.00 0.00 N ATOM 1924 CA LYS A 118 6.913 4.654 5.585 1.00 0.00 C ATOM 1925 C LYS A 118 6.464 6.110 5.725 1.00 0.00 C ATOM 1926 O LYS A 118 6.901 6.813 6.635 1.00 0.00 O ATOM 1927 CB LYS A 118 7.465 4.311 4.199 1.00 0.00 C ATOM 1928 CG LYS A 118 8.985 4.142 4.241 1.00 0.00 C ATOM 1929 CD LYS A 118 9.555 3.958 2.833 1.00 0.00 C ATOM 1930 CE LYS A 118 10.819 3.096 2.862 1.00 0.00 C ATOM 1931 NZ LYS A 118 10.837 2.163 1.713 1.00 0.00 N ATOM 0 H LYS A 118 5.288 3.415 5.122 1.00 0.00 H new ATOM 0 HA LYS A 118 7.741 4.508 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.003 3.393 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.202 5.099 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.439 5.015 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.242 3.280 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.807 3.492 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.784 4.931 2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.702 3.734 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.862 2.534 3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.701 1.586 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.004 1.542 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.818 2.705 0.826 1.00 0.00 H new ATOM 1945 N MET A 119 5.597 6.519 4.810 1.00 0.00 N ATOM 1946 CA MET A 119 5.084 7.878 4.820 1.00 0.00 C ATOM 1947 C MET A 119 3.719 7.944 5.507 1.00 0.00 C ATOM 1948 O MET A 119 3.567 8.603 6.534 1.00 0.00 O ATOM 1949 CB MET A 119 4.958 8.387 3.383 1.00 0.00 C ATOM 1950 CG MET A 119 5.427 9.839 3.272 1.00 0.00 C ATOM 1951 SD MET A 119 7.157 9.956 3.694 1.00 0.00 S ATOM 1952 CE MET A 119 7.189 11.583 4.427 1.00 0.00 C ATOM 0 H MET A 119 5.237 5.933 4.057 1.00 0.00 H new ATOM 0 HA MET A 119 5.780 8.505 5.377 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.550 7.758 2.718 1.00 0.00 H new ATOM 0 HB3 MET A 119 3.921 8.310 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 119 5.266 10.205 2.258 1.00 0.00 H new ATOM 0 HG3 MET A 119 4.839 10.472 3.937 1.00 0.00 H new ATOM 0 HE1 MET A 119 8.204 11.817 4.748 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.862 12.319 3.693 1.00 0.00 H new ATOM 0 HE3 MET A 119 6.521 11.607 5.288 1.00 0.00 H new ATOM 1962 N ILE A 120 2.759 7.251 4.912 1.00 0.00 N ATOM 1963 CA ILE A 120 1.411 7.222 5.454 1.00 0.00 C ATOM 1964 C ILE A 120 1.479 7.248 6.982 1.00 0.00 C ATOM 1965 O ILE A 120 1.051 8.215 7.610 1.00 0.00 O ATOM 1966 CB ILE A 120 0.634 6.029 4.894 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.080 6.341 3.502 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.465 5.587 5.862 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.187 6.833 2.568 1.00 0.00 C ATOM 0 H ILE A 120 2.888 6.705 4.060 1.00 0.00 H new ATOM 0 HA ILE A 120 0.857 8.108 5.144 1.00 0.00 H new ATOM 0 HB ILE A 120 1.324 5.192 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.384 5.448 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.699 7.099 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.002 4.738 5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.017 5.297 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.160 6.411 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.766 7.047 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.632 7.740 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.953 6.063 2.474 1.00 0.00 H new ATOM 1981 N HIS A 121 2.021 6.173 7.537 1.00 0.00 N ATOM 1982 CA HIS A 121 2.151 6.061 8.980 1.00 0.00 C ATOM 1983 C HIS A 121 2.511 7.426 9.571 1.00 0.00 C ATOM 1984 O HIS A 121 1.843 7.906 10.485 1.00 0.00 O ATOM 1985 CB HIS A 121 3.158 4.970 9.351 1.00 0.00 C ATOM 1986 CG HIS A 121 3.826 5.181 10.688 1.00 0.00 C ATOM 1987 ND1 HIS A 121 5.116 5.668 10.813 1.00 0.00 N ATOM 1988 CD2 HIS A 121 3.371 4.967 11.956 1.00 0.00 C ATOM 1989 CE1 HIS A 121 5.413 5.739 12.103 1.00 0.00 C ATOM 1990 NE2 HIS A 121 4.331 5.304 12.809 1.00 0.00 N ATOM 0 H HIS A 121 2.375 5.372 7.013 1.00 0.00 H new ATOM 0 HA HIS A 121 1.198 5.757 9.412 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.648 4.007 9.359 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.924 4.919 8.577 1.00 0.00 H new ATOM 0 HD1 HIS A 121 5.733 5.928 10.043 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.395 4.588 12.221 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.348 6.081 12.521 1.00 0.00 H new ATOM 1998 N GLN A 122 3.566 8.012 9.024 1.00 0.00 N ATOM 1999 CA GLN A 122 4.023 9.312 9.485 1.00 0.00 C ATOM 2000 C GLN A 122 2.830 10.181 9.888 1.00 0.00 C ATOM 2001 O GLN A 122 2.921 10.967 10.830 1.00 0.00 O ATOM 2002 CB GLN A 122 4.872 10.005 8.418 1.00 0.00 C ATOM 2003 CG GLN A 122 5.959 9.069 7.888 1.00 0.00 C ATOM 2004 CD GLN A 122 6.743 8.433 9.038 1.00 0.00 C ATOM 2005 OE1 GLN A 122 6.224 7.653 9.820 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.018 8.807 9.097 1.00 0.00 N ATOM 0 H GLN A 122 4.117 7.610 8.266 1.00 0.00 H new ATOM 0 HA GLN A 122 4.653 9.164 10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.235 10.330 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 122 5.331 10.900 8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.506 8.289 7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.639 9.625 7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.389 9.464 8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.625 8.437 9.829 1.00 0.00 H new