USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 57 TYR OH : rot 180:sc= 0.973 USER MOD Set 1.2: A 97 GLN : amide:sc= -9.65! C(o=-9.1!,f=-15!) USER MOD Set 1.3: A 107 MET CE :methyl -153:sc= -0.436 (180deg=-1.63) USER MOD Set 2.1: A 87 THR OG1 : rot 103:sc= 0.712 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 0.641 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0373 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc=-0.00634 (180deg=-0.0754) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 40 ASN : amide:sc= -0.565 K(o=-0.57,f=-5.8!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.276 K(o=-0.28,f=-0.83) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 130:sc= -0.491 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 48:sc= 1.1 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.257 F(o=-0.99,f=-0.26) USER MOD Single : A 67 HIS :FLIP no HE2:sc= -5.42! C(o=-8!,f=-5.4!) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.14! C(o=-1.8!,f=-1.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 81 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.72) USER MOD Single : A 82 GLN : amide:sc=-0.00385 K(o=-0.0038,f=-1.2) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 90 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 0.757 (180deg=0.755) USER MOD Single : A 100 ASN : amide:sc= 0.408 K(o=0.41,f=-10!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -84:sc= 0.369 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 115 THR OG1 : rot -159:sc= 0.353 USER MOD Single : A 117 LYS NZ :NH3+ -126:sc= -3.11! (180deg=-5.68!) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -23.122 -4.305 -3.751 1.00 0.00 N ATOM 179 CA LEU A 16 -22.296 -4.886 -4.804 1.00 0.00 C ATOM 180 C LEU A 16 -20.847 -4.426 -4.674 1.00 0.00 C ATOM 181 O LEU A 16 -20.532 -3.259 -4.903 1.00 0.00 O ATOM 182 CB LEU A 16 -22.843 -4.501 -6.179 1.00 0.00 C ATOM 183 CG LEU A 16 -24.218 -5.067 -6.536 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.296 -6.544 -6.182 1.00 0.00 C ATOM 185 CD2 LEU A 16 -25.316 -4.288 -5.826 1.00 0.00 C ATOM 0 HA LEU A 16 -22.325 -5.971 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.894 -3.414 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -22.130 -4.827 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.364 -4.964 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.282 -6.929 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -23.534 -7.092 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.129 -6.671 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.288 -4.704 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -25.173 -4.359 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.274 -3.242 -6.129 1.00 0.00 H new ATOM 197 N VAL A 17 -19.968 -5.354 -4.308 1.00 0.00 N ATOM 198 CA VAL A 17 -18.551 -5.045 -4.151 1.00 0.00 C ATOM 199 C VAL A 17 -18.003 -4.338 -5.386 1.00 0.00 C ATOM 200 O VAL A 17 -18.506 -4.497 -6.498 1.00 0.00 O ATOM 201 CB VAL A 17 -17.725 -6.319 -3.894 1.00 0.00 C ATOM 202 CG1 VAL A 17 -18.025 -6.881 -2.513 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.997 -7.357 -4.972 1.00 0.00 C ATOM 0 H VAL A 17 -20.212 -6.325 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.464 -4.384 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.667 -6.059 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.432 -7.781 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.774 -6.138 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.085 -7.127 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.405 -8.251 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.056 -7.615 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.725 -6.950 -5.946 1.00 0.00 H new ATOM 213 N PRO A 18 -16.947 -3.536 -5.187 1.00 0.00 N ATOM 214 CA PRO A 18 -16.306 -2.788 -6.273 1.00 0.00 C ATOM 215 C PRO A 18 -15.558 -3.698 -7.241 1.00 0.00 C ATOM 216 O PRO A 18 -14.399 -4.047 -7.013 1.00 0.00 O ATOM 217 CB PRO A 18 -15.327 -1.867 -5.540 1.00 0.00 C ATOM 218 CG PRO A 18 -15.034 -2.569 -4.259 1.00 0.00 C ATOM 219 CD PRO A 18 -16.295 -3.298 -3.888 1.00 0.00 C ATOM 0 HA PRO A 18 -17.034 -2.257 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.419 -1.710 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.765 -0.885 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.202 -3.263 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.750 -1.860 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.081 -4.232 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.924 -2.702 -3.226 1.00 0.00 H new ATOM 227 N THR A 19 -16.227 -4.079 -8.325 1.00 0.00 N ATOM 228 CA THR A 19 -15.626 -4.949 -9.328 1.00 0.00 C ATOM 229 C THR A 19 -14.652 -4.179 -10.211 1.00 0.00 C ATOM 230 O THR A 19 -14.151 -4.705 -11.205 1.00 0.00 O ATOM 231 CB THR A 19 -16.698 -5.606 -10.217 1.00 0.00 C ATOM 232 OG1 THR A 19 -17.182 -4.662 -11.179 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.857 -6.121 -9.377 1.00 0.00 C ATOM 0 H THR A 19 -17.186 -3.798 -8.531 1.00 0.00 H new ATOM 0 HA THR A 19 -15.086 -5.727 -8.788 1.00 0.00 H new ATOM 0 HB THR A 19 -16.242 -6.450 -10.734 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.862 -5.088 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.601 -6.581 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.490 -6.861 -8.665 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.311 -5.291 -8.836 1.00 0.00 H new ATOM 241 N SER A 20 -14.386 -2.930 -9.842 1.00 0.00 N ATOM 242 CA SER A 20 -13.473 -2.085 -10.604 1.00 0.00 C ATOM 243 C SER A 20 -12.248 -1.720 -9.771 1.00 0.00 C ATOM 244 O SER A 20 -12.344 -1.401 -8.585 1.00 0.00 O ATOM 245 CB SER A 20 -14.187 -0.813 -11.066 1.00 0.00 C ATOM 246 OG SER A 20 -13.295 0.054 -11.745 1.00 0.00 O ATOM 0 H SER A 20 -14.790 -2.481 -9.020 1.00 0.00 H new ATOM 0 HA SER A 20 -13.143 -2.646 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.015 -1.076 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.614 -0.299 -10.205 1.00 0.00 H new ATOM 0 HG SER A 20 -13.775 0.859 -12.032 1.00 0.00 H new ATOM 252 N PRO A 21 -11.067 -1.768 -10.405 1.00 0.00 N ATOM 253 CA PRO A 21 -9.800 -1.446 -9.743 1.00 0.00 C ATOM 254 C PRO A 21 -9.676 0.039 -9.418 1.00 0.00 C ATOM 255 O PRO A 21 -10.425 0.874 -9.927 1.00 0.00 O ATOM 256 CB PRO A 21 -8.746 -1.858 -10.774 1.00 0.00 C ATOM 257 CG PRO A 21 -9.446 -1.770 -12.086 1.00 0.00 C ATOM 258 CD PRO A 21 -10.878 -2.141 -11.817 1.00 0.00 C ATOM 0 HA PRO A 21 -9.700 -1.955 -8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.881 -1.196 -10.742 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.382 -2.868 -10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.375 -0.764 -12.500 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.998 -2.446 -12.814 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.563 -1.601 -12.471 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.055 -3.204 -11.979 1.00 0.00 H new ATOM 266 N PRO A 22 -8.709 0.378 -8.553 1.00 0.00 N ATOM 267 CA PRO A 22 -8.465 1.764 -8.142 1.00 0.00 C ATOM 268 C PRO A 22 -7.885 2.609 -9.272 1.00 0.00 C ATOM 269 O PRO A 22 -7.414 2.080 -10.278 1.00 0.00 O ATOM 270 CB PRO A 22 -7.450 1.623 -7.005 1.00 0.00 C ATOM 271 CG PRO A 22 -6.755 0.334 -7.275 1.00 0.00 C ATOM 272 CD PRO A 22 -7.781 -0.565 -7.908 1.00 0.00 C ATOM 0 HA PRO A 22 -9.385 2.271 -7.850 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.748 2.457 -6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.943 1.611 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.903 0.482 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.370 -0.102 -6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.329 -1.243 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.287 -1.182 -7.166 1.00 0.00 H new ATOM 280 N LYS A 23 -7.923 3.926 -9.098 1.00 0.00 N ATOM 281 CA LYS A 23 -7.400 4.846 -10.102 1.00 0.00 C ATOM 282 C LYS A 23 -6.399 5.815 -9.482 1.00 0.00 C ATOM 283 O LYS A 23 -6.130 5.761 -8.281 1.00 0.00 O ATOM 284 CB LYS A 23 -8.544 5.625 -10.754 1.00 0.00 C ATOM 285 CG LYS A 23 -9.770 4.777 -11.045 1.00 0.00 C ATOM 286 CD LYS A 23 -10.846 5.579 -11.758 1.00 0.00 C ATOM 287 CE LYS A 23 -10.661 5.543 -13.267 1.00 0.00 C ATOM 288 NZ LYS A 23 -11.342 6.685 -13.937 1.00 0.00 N ATOM 0 H LYS A 23 -8.311 4.380 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.887 4.260 -10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.830 6.449 -10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.188 6.065 -11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.485 3.922 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.169 4.380 -10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.828 5.181 -11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.820 6.612 -11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.597 5.566 -13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.055 4.605 -13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.192 6.624 -14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.361 6.649 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.949 7.580 -13.582 1.00 0.00 H new ATOM 302 N ASP A 24 -5.851 6.700 -10.307 1.00 0.00 N ATOM 303 CA ASP A 24 -4.880 7.683 -9.839 1.00 0.00 C ATOM 304 C ASP A 24 -3.777 7.013 -9.026 1.00 0.00 C ATOM 305 O ASP A 24 -3.290 7.572 -8.042 1.00 0.00 O ATOM 306 CB ASP A 24 -5.574 8.754 -8.997 1.00 0.00 C ATOM 307 CG ASP A 24 -4.841 10.081 -9.030 1.00 0.00 C ATOM 308 OD1 ASP A 24 -4.159 10.357 -10.039 1.00 0.00 O ATOM 309 OD2 ASP A 24 -4.951 10.844 -8.047 1.00 0.00 O ATOM 0 H ASP A 24 -6.062 6.757 -11.303 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.427 8.155 -10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.592 8.895 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.649 8.409 -7.966 1.00 0.00 H new ATOM 314 N VAL A 25 -3.388 5.812 -9.441 1.00 0.00 N ATOM 315 CA VAL A 25 -2.343 5.066 -8.752 1.00 0.00 C ATOM 316 C VAL A 25 -0.986 5.741 -8.917 1.00 0.00 C ATOM 317 O VAL A 25 -0.414 5.753 -10.008 1.00 0.00 O ATOM 318 CB VAL A 25 -2.251 3.618 -9.270 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.001 2.937 -8.734 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.499 2.837 -8.891 1.00 0.00 C ATOM 0 H VAL A 25 -3.782 5.335 -10.252 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.611 5.049 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.183 3.643 -10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.953 1.915 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.118 3.486 -9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.034 2.921 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.417 1.816 -9.265 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.601 2.819 -7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.375 3.315 -9.330 1.00 0.00 H new ATOM 330 N THR A 26 -0.473 6.302 -7.826 1.00 0.00 N ATOM 331 CA THR A 26 0.817 6.979 -7.849 1.00 0.00 C ATOM 332 C THR A 26 1.636 6.646 -6.608 1.00 0.00 C ATOM 333 O THR A 26 1.085 6.422 -5.530 1.00 0.00 O ATOM 334 CB THR A 26 0.647 8.507 -7.943 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.254 8.963 -6.928 1.00 0.00 O ATOM 336 CG2 THR A 26 0.122 8.911 -9.313 1.00 0.00 C ATOM 0 H THR A 26 -0.932 6.300 -6.915 1.00 0.00 H new ATOM 0 HA THR A 26 1.344 6.624 -8.734 1.00 0.00 H new ATOM 0 HB THR A 26 1.624 8.968 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.355 9.936 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.010 9.994 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.825 8.589 -10.081 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.846 8.440 -9.485 1.00 0.00 H new ATOM 344 N VAL A 27 2.955 6.614 -6.766 1.00 0.00 N ATOM 345 CA VAL A 27 3.851 6.309 -5.656 1.00 0.00 C ATOM 346 C VAL A 27 4.981 7.329 -5.566 1.00 0.00 C ATOM 347 O VAL A 27 5.858 7.378 -6.428 1.00 0.00 O ATOM 348 CB VAL A 27 4.456 4.900 -5.794 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.394 4.605 -4.633 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.355 3.854 -5.881 1.00 0.00 C ATOM 0 H VAL A 27 3.427 6.795 -7.652 1.00 0.00 H new ATOM 0 HA VAL A 27 3.253 6.352 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 27 5.036 4.861 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.812 3.605 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.202 5.337 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.841 4.662 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.801 2.864 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.746 3.891 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.728 4.057 -6.750 1.00 0.00 H new ATOM 360 N VAL A 28 4.953 8.142 -4.514 1.00 0.00 N ATOM 361 CA VAL A 28 5.976 9.161 -4.309 1.00 0.00 C ATOM 362 C VAL A 28 6.869 8.812 -3.124 1.00 0.00 C ATOM 363 O VAL A 28 6.531 7.954 -2.310 1.00 0.00 O ATOM 364 CB VAL A 28 5.348 10.548 -4.074 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.604 11.014 -5.316 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.422 10.515 -2.868 1.00 0.00 C ATOM 0 H VAL A 28 4.234 8.115 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 28 6.578 9.192 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 28 6.147 11.261 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.167 11.995 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.298 11.078 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.813 10.303 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.987 11.503 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.626 9.790 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.988 10.228 -1.982 1.00 0.00 H new ATOM 376 N SER A 29 8.012 9.485 -3.033 1.00 0.00 N ATOM 377 CA SER A 29 8.957 9.244 -1.949 1.00 0.00 C ATOM 378 C SER A 29 8.939 10.395 -0.947 1.00 0.00 C ATOM 379 O SER A 29 8.612 11.530 -1.293 1.00 0.00 O ATOM 380 CB SER A 29 10.370 9.060 -2.506 1.00 0.00 C ATOM 381 OG SER A 29 10.901 10.291 -2.965 1.00 0.00 O ATOM 0 H SER A 29 8.306 10.201 -3.697 1.00 0.00 H new ATOM 0 HA SER A 29 8.656 8.332 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.018 8.646 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.351 8.341 -3.325 1.00 0.00 H new ATOM 0 HG SER A 29 11.805 10.147 -3.315 1.00 0.00 H new ATOM 387 N LYS A 30 9.293 10.093 0.297 1.00 0.00 N ATOM 388 CA LYS A 30 9.320 11.100 1.351 1.00 0.00 C ATOM 389 C LYS A 30 10.644 11.857 1.347 1.00 0.00 C ATOM 390 O LYS A 30 11.678 11.314 0.961 1.00 0.00 O ATOM 391 CB LYS A 30 9.099 10.445 2.717 1.00 0.00 C ATOM 392 CG LYS A 30 9.009 11.440 3.861 1.00 0.00 C ATOM 393 CD LYS A 30 7.574 11.872 4.112 1.00 0.00 C ATOM 394 CE LYS A 30 7.484 12.865 5.261 1.00 0.00 C ATOM 395 NZ LYS A 30 7.674 12.205 6.582 1.00 0.00 N ATOM 0 H LYS A 30 9.565 9.158 0.600 1.00 0.00 H new ATOM 0 HA LYS A 30 8.515 11.810 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.182 9.857 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.916 9.750 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.419 10.993 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.619 12.314 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.165 12.322 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.964 10.997 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.239 13.640 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.513 13.359 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.605 12.916 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.938 11.483 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.611 11.755 6.614 1.00 0.00 H new ATOM 409 N GLU A 31 10.603 13.114 1.779 1.00 0.00 N ATOM 410 CA GLU A 31 11.801 13.944 1.825 1.00 0.00 C ATOM 411 C GLU A 31 12.560 13.733 3.131 1.00 0.00 C ATOM 412 O GLU A 31 13.708 13.291 3.130 1.00 0.00 O ATOM 413 CB GLU A 31 11.431 15.421 1.670 1.00 0.00 C ATOM 414 CG GLU A 31 12.610 16.365 1.839 1.00 0.00 C ATOM 415 CD GLU A 31 12.261 17.800 1.497 1.00 0.00 C ATOM 416 OE1 GLU A 31 12.363 18.169 0.308 1.00 0.00 O ATOM 417 OE2 GLU A 31 11.886 18.556 2.419 1.00 0.00 O ATOM 0 H GLU A 31 9.754 13.579 2.102 1.00 0.00 H new ATOM 0 HA GLU A 31 12.447 13.650 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.991 15.575 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.666 15.674 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.965 16.317 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.431 16.033 1.203 1.00 0.00 H new ATOM 424 N GLY A 32 11.909 14.053 4.246 1.00 0.00 N ATOM 425 CA GLY A 32 12.537 13.892 5.544 1.00 0.00 C ATOM 426 C GLY A 32 13.237 12.555 5.688 1.00 0.00 C ATOM 427 O GLY A 32 14.229 12.439 6.408 1.00 0.00 O ATOM 0 H GLY A 32 10.958 14.421 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.258 14.695 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.782 13.989 6.324 1.00 0.00 H new ATOM 431 N LYS A 33 12.719 11.541 5.004 1.00 0.00 N ATOM 432 CA LYS A 33 13.299 10.205 5.058 1.00 0.00 C ATOM 433 C LYS A 33 13.207 9.516 3.700 1.00 0.00 C ATOM 434 O LYS A 33 12.149 9.470 3.071 1.00 0.00 O ATOM 435 CB LYS A 33 12.589 9.361 6.119 1.00 0.00 C ATOM 436 CG LYS A 33 13.511 8.400 6.849 1.00 0.00 C ATOM 437 CD LYS A 33 13.494 7.019 6.214 1.00 0.00 C ATOM 438 CE LYS A 33 13.885 5.941 7.213 1.00 0.00 C ATOM 439 NZ LYS A 33 15.348 5.665 7.185 1.00 0.00 N ATOM 0 H LYS A 33 11.897 11.619 4.405 1.00 0.00 H new ATOM 0 HA LYS A 33 14.351 10.304 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.121 10.025 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.789 8.793 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.528 8.793 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.207 8.325 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.499 6.810 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.180 6.998 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.593 6.252 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.338 5.025 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.540 4.762 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.672 5.610 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.855 6.430 7.674 1.00 0.00 H new ATOM 453 N PRO A 34 14.339 8.966 3.236 1.00 0.00 N ATOM 454 CA PRO A 34 14.410 8.267 1.950 1.00 0.00 C ATOM 455 C PRO A 34 13.658 6.942 1.967 1.00 0.00 C ATOM 456 O PRO A 34 12.824 6.677 1.100 1.00 0.00 O ATOM 457 CB PRO A 34 15.910 8.028 1.759 1.00 0.00 C ATOM 458 CG PRO A 34 16.471 8.016 3.139 1.00 0.00 C ATOM 459 CD PRO A 34 15.636 8.983 3.933 1.00 0.00 C ATOM 0 HA PRO A 34 13.950 8.844 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.098 7.084 1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.362 8.814 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.426 7.016 3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.519 8.315 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.538 8.670 4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.075 9.981 3.941 1.00 0.00 H new ATOM 467 N LYS A 35 13.955 6.110 2.960 1.00 0.00 N ATOM 468 CA LYS A 35 13.306 4.812 3.092 1.00 0.00 C ATOM 469 C LYS A 35 11.795 4.970 3.226 1.00 0.00 C ATOM 470 O LYS A 35 11.038 4.026 3.000 1.00 0.00 O ATOM 471 CB LYS A 35 13.860 4.062 4.305 1.00 0.00 C ATOM 472 CG LYS A 35 15.194 3.383 4.044 1.00 0.00 C ATOM 473 CD LYS A 35 15.585 2.463 5.188 1.00 0.00 C ATOM 474 CE LYS A 35 16.711 1.522 4.786 1.00 0.00 C ATOM 475 NZ LYS A 35 18.051 2.128 5.020 1.00 0.00 N ATOM 0 H LYS A 35 14.642 6.313 3.686 1.00 0.00 H new ATOM 0 HA LYS A 35 13.515 4.237 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.974 4.762 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.135 3.311 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.137 2.810 3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.967 4.139 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.896 3.059 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.718 1.882 5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.628 0.594 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.609 1.263 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.791 1.456 4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.140 3.000 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.159 2.352 6.030 1.00 0.00 H new ATOM 489 N THR A 36 11.361 6.172 3.595 1.00 0.00 N ATOM 490 CA THR A 36 9.940 6.454 3.760 1.00 0.00 C ATOM 491 C THR A 36 9.325 6.952 2.457 1.00 0.00 C ATOM 492 O THR A 36 9.849 7.869 1.823 1.00 0.00 O ATOM 493 CB THR A 36 9.700 7.502 4.862 1.00 0.00 C ATOM 494 OG1 THR A 36 10.281 7.060 6.094 1.00 0.00 O ATOM 495 CG2 THR A 36 8.212 7.749 5.058 1.00 0.00 C ATOM 0 H THR A 36 11.973 6.965 3.785 1.00 0.00 H new ATOM 0 HA THR A 36 9.462 5.518 4.050 1.00 0.00 H new ATOM 0 HB THR A 36 10.170 8.436 4.553 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.125 7.733 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.067 8.493 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.778 8.113 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.724 6.818 5.346 1.00 0.00 H new ATOM 503 N ILE A 37 8.210 6.345 2.064 1.00 0.00 N ATOM 504 CA ILE A 37 7.523 6.729 0.838 1.00 0.00 C ATOM 505 C ILE A 37 6.027 6.900 1.077 1.00 0.00 C ATOM 506 O ILE A 37 5.488 6.416 2.072 1.00 0.00 O ATOM 507 CB ILE A 37 7.738 5.690 -0.278 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.118 4.348 0.119 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.222 5.527 -0.572 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.664 3.519 -1.062 1.00 0.00 C ATOM 0 H ILE A 37 7.763 5.585 2.577 1.00 0.00 H new ATOM 0 HA ILE A 37 7.950 7.681 0.523 1.00 0.00 H new ATOM 0 HB ILE A 37 7.245 6.044 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.846 3.777 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.266 4.530 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.357 4.789 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.637 6.483 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.737 5.192 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.235 2.582 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.912 4.071 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.517 3.306 -1.706 1.00 0.00 H new ATOM 522 N ILE A 38 5.361 7.590 0.157 1.00 0.00 N ATOM 523 CA ILE A 38 3.926 7.822 0.266 1.00 0.00 C ATOM 524 C ILE A 38 3.204 7.412 -1.013 1.00 0.00 C ATOM 525 O ILE A 38 3.482 7.936 -2.092 1.00 0.00 O ATOM 526 CB ILE A 38 3.616 9.301 0.565 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.348 9.753 1.830 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.116 9.508 0.712 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.737 10.291 1.566 1.00 0.00 C ATOM 0 H ILE A 38 5.792 7.998 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 38 3.570 7.209 1.094 1.00 0.00 H new ATOM 0 HB ILE A 38 3.967 9.907 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.757 10.523 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.418 8.912 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.913 10.558 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.617 9.220 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.743 8.894 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.196 10.592 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.344 9.516 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.673 11.153 0.902 1.00 0.00 H new ATOM 541 N VAL A 39 2.273 6.471 -0.885 1.00 0.00 N ATOM 542 CA VAL A 39 1.508 5.992 -2.029 1.00 0.00 C ATOM 543 C VAL A 39 0.140 6.661 -2.095 1.00 0.00 C ATOM 544 O VAL A 39 -0.681 6.508 -1.191 1.00 0.00 O ATOM 545 CB VAL A 39 1.319 4.464 -1.977 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.513 3.985 -3.176 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.667 3.762 -1.915 1.00 0.00 C ATOM 0 H VAL A 39 2.031 6.026 0.000 1.00 0.00 H new ATOM 0 HA VAL A 39 2.078 6.250 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 39 0.764 4.214 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.389 2.903 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.467 4.463 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.038 4.245 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.514 2.683 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.251 4.016 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.203 4.083 -1.022 1.00 0.00 H new ATOM 557 N ASN A 40 -0.099 7.403 -3.171 1.00 0.00 N ATOM 558 CA ASN A 40 -1.369 8.096 -3.355 1.00 0.00 C ATOM 559 C ASN A 40 -2.248 7.362 -4.362 1.00 0.00 C ATOM 560 O ASN A 40 -1.748 6.690 -5.265 1.00 0.00 O ATOM 561 CB ASN A 40 -1.126 9.532 -3.824 1.00 0.00 C ATOM 562 CG ASN A 40 0.181 10.098 -3.304 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.260 9.607 -3.639 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.090 11.135 -2.479 1.00 0.00 N ATOM 0 H ASN A 40 0.570 7.540 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.886 8.117 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.122 9.559 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.950 10.164 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.936 11.557 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.825 11.509 -2.229 1.00 0.00 H new ATOM 571 N TRP A 41 -3.560 7.496 -4.202 1.00 0.00 N ATOM 572 CA TRP A 41 -4.510 6.846 -5.098 1.00 0.00 C ATOM 573 C TRP A 41 -5.919 7.383 -4.880 1.00 0.00 C ATOM 574 O TRP A 41 -6.144 8.223 -4.009 1.00 0.00 O ATOM 575 CB TRP A 41 -4.489 5.331 -4.883 1.00 0.00 C ATOM 576 CG TRP A 41 -5.084 4.909 -3.574 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.407 4.705 -3.302 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.376 4.640 -2.359 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.564 4.326 -1.991 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.334 4.278 -1.391 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.027 4.668 -1.994 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -4.983 3.948 -0.084 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.681 4.341 -0.697 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.655 3.985 0.245 1.00 0.00 C ATOM 0 H TRP A 41 -3.990 8.049 -3.460 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.213 7.065 -6.124 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.034 4.848 -5.694 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.459 4.978 -4.937 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.211 4.824 -4.013 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.453 4.115 -1.538 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.269 4.940 -2.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.732 3.673 0.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.642 4.360 -0.404 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.352 3.735 1.251 1.00 0.00 H new ATOM 595 N GLN A 42 -6.865 6.894 -5.676 1.00 0.00 N ATOM 596 CA GLN A 42 -8.253 7.327 -5.569 1.00 0.00 C ATOM 597 C GLN A 42 -9.207 6.170 -5.843 1.00 0.00 C ATOM 598 O GLN A 42 -8.855 5.183 -6.489 1.00 0.00 O ATOM 599 CB GLN A 42 -8.528 8.473 -6.544 1.00 0.00 C ATOM 600 CG GLN A 42 -8.106 9.835 -6.018 1.00 0.00 C ATOM 601 CD GLN A 42 -8.887 10.971 -6.648 1.00 0.00 C ATOM 602 OE1 GLN A 42 -8.899 11.131 -7.869 1.00 0.00 O ATOM 603 NE2 GLN A 42 -9.546 11.770 -5.815 1.00 0.00 N ATOM 0 H GLN A 42 -6.695 6.198 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.420 7.678 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.005 8.276 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.593 8.496 -6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.242 9.861 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.043 9.980 -6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.509 11.601 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.089 12.552 -6.181 1.00 0.00 H new ATOM 612 N PRO A 43 -10.445 6.291 -5.340 1.00 0.00 N ATOM 613 CA PRO A 43 -11.475 5.264 -5.518 1.00 0.00 C ATOM 614 C PRO A 43 -11.964 5.176 -6.959 1.00 0.00 C ATOM 615 O PRO A 43 -11.917 6.147 -7.716 1.00 0.00 O ATOM 616 CB PRO A 43 -12.605 5.732 -4.598 1.00 0.00 C ATOM 617 CG PRO A 43 -12.417 7.206 -4.486 1.00 0.00 C ATOM 618 CD PRO A 43 -10.933 7.440 -4.559 1.00 0.00 C ATOM 0 HA PRO A 43 -11.101 4.267 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.582 5.488 -5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.546 5.250 -3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.935 7.728 -5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.826 7.582 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.699 8.386 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.482 7.473 -3.567 1.00 0.00 H new ATOM 626 N PRO A 44 -12.444 3.987 -7.351 1.00 0.00 N ATOM 627 CA PRO A 44 -12.952 3.745 -8.705 1.00 0.00 C ATOM 628 C PRO A 44 -14.265 4.473 -8.970 1.00 0.00 C ATOM 629 O PRO A 44 -15.090 4.633 -8.071 1.00 0.00 O ATOM 630 CB PRO A 44 -13.164 2.230 -8.739 1.00 0.00 C ATOM 631 CG PRO A 44 -13.375 1.845 -7.315 1.00 0.00 C ATOM 632 CD PRO A 44 -12.530 2.787 -6.503 1.00 0.00 C ATOM 0 HA PRO A 44 -12.266 4.110 -9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.025 1.964 -9.353 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.300 1.719 -9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.426 1.928 -7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.081 0.810 -7.143 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.988 3.008 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.545 2.368 -6.299 1.00 0.00 H new ATOM 640 N SER A 45 -14.453 4.912 -10.211 1.00 0.00 N ATOM 641 CA SER A 45 -15.665 5.627 -10.594 1.00 0.00 C ATOM 642 C SER A 45 -16.891 4.728 -10.459 1.00 0.00 C ATOM 643 O SER A 45 -18.014 5.210 -10.317 1.00 0.00 O ATOM 644 CB SER A 45 -15.549 6.137 -12.031 1.00 0.00 C ATOM 645 OG SER A 45 -16.736 6.798 -12.435 1.00 0.00 O ATOM 0 H SER A 45 -13.781 4.785 -10.968 1.00 0.00 H new ATOM 0 HA SER A 45 -15.783 6.478 -9.923 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.703 6.820 -12.111 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.348 5.302 -12.702 1.00 0.00 H new ATOM 0 HG SER A 45 -16.636 7.116 -13.357 1.00 0.00 H new ATOM 651 N GLU A 46 -16.665 3.419 -10.504 1.00 0.00 N ATOM 652 CA GLU A 46 -17.751 2.452 -10.388 1.00 0.00 C ATOM 653 C GLU A 46 -17.869 1.937 -8.957 1.00 0.00 C ATOM 654 O GLU A 46 -17.764 0.736 -8.708 1.00 0.00 O ATOM 655 CB GLU A 46 -17.525 1.281 -11.347 1.00 0.00 C ATOM 656 CG GLU A 46 -17.958 1.571 -12.774 1.00 0.00 C ATOM 657 CD GLU A 46 -19.329 2.215 -12.849 1.00 0.00 C ATOM 658 OE1 GLU A 46 -20.333 1.493 -12.680 1.00 0.00 O ATOM 659 OE2 GLU A 46 -19.397 3.442 -13.075 1.00 0.00 O ATOM 0 H GLU A 46 -15.741 3.004 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.681 2.954 -10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.467 1.018 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.070 0.411 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.226 2.227 -13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.966 0.641 -13.343 1.00 0.00 H new ATOM 666 N ALA A 47 -18.088 2.853 -8.020 1.00 0.00 N ATOM 667 CA ALA A 47 -18.222 2.492 -6.614 1.00 0.00 C ATOM 668 C ALA A 47 -19.632 2.002 -6.305 1.00 0.00 C ATOM 669 O ALA A 47 -20.337 2.588 -5.485 1.00 0.00 O ATOM 670 CB ALA A 47 -17.867 3.678 -5.728 1.00 0.00 C ATOM 0 H ALA A 47 -18.176 3.851 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.529 1.677 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.972 3.394 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.838 3.981 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.537 4.509 -5.947 1.00 0.00 H new ATOM 676 N ASN A 48 -20.038 0.925 -6.969 1.00 0.00 N ATOM 677 CA ASN A 48 -21.366 0.357 -6.766 1.00 0.00 C ATOM 678 C ASN A 48 -21.809 0.516 -5.314 1.00 0.00 C ATOM 679 O ASN A 48 -22.986 0.741 -5.035 1.00 0.00 O ATOM 680 CB ASN A 48 -21.376 -1.123 -7.154 1.00 0.00 C ATOM 681 CG ASN A 48 -20.736 -1.369 -8.507 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.763 -0.507 -9.386 1.00 0.00 O ATOM 683 ND2 ASN A 48 -20.155 -2.551 -8.680 1.00 0.00 N ATOM 0 H ASN A 48 -19.467 0.428 -7.652 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.066 0.897 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.847 -1.699 -6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.404 -1.485 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.707 -2.774 -9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -20.156 -3.236 -7.924 1.00 0.00 H new ATOM 690 N GLY A 49 -20.857 0.396 -4.394 1.00 0.00 N ATOM 691 CA GLY A 49 -21.169 0.530 -2.983 1.00 0.00 C ATOM 692 C GLY A 49 -20.318 1.581 -2.298 1.00 0.00 C ATOM 693 O GLY A 49 -19.682 2.403 -2.958 1.00 0.00 O ATOM 0 H GLY A 49 -19.876 0.209 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.222 0.789 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.022 -0.430 -2.489 1.00 0.00 H new ATOM 697 N LYS A 50 -20.305 1.556 -0.970 1.00 0.00 N ATOM 698 CA LYS A 50 -19.526 2.514 -0.193 1.00 0.00 C ATOM 699 C LYS A 50 -18.237 1.879 0.319 1.00 0.00 C ATOM 700 O LYS A 50 -18.253 0.775 0.865 1.00 0.00 O ATOM 701 CB LYS A 50 -20.351 3.039 0.984 1.00 0.00 C ATOM 702 CG LYS A 50 -19.645 4.115 1.790 1.00 0.00 C ATOM 703 CD LYS A 50 -20.587 4.779 2.780 1.00 0.00 C ATOM 704 CE LYS A 50 -21.488 5.796 2.096 1.00 0.00 C ATOM 705 NZ LYS A 50 -22.044 6.783 3.063 1.00 0.00 N ATOM 0 H LYS A 50 -20.825 0.882 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.266 3.347 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.293 3.438 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.599 2.207 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.803 3.676 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.236 4.867 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.198 4.020 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.008 5.272 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.924 6.321 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -22.306 5.278 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.652 7.459 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.604 6.285 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.265 7.296 3.523 1.00 0.00 H new ATOM 719 N ILE A 51 -17.124 2.582 0.139 1.00 0.00 N ATOM 720 CA ILE A 51 -15.828 2.088 0.586 1.00 0.00 C ATOM 721 C ILE A 51 -15.609 2.379 2.066 1.00 0.00 C ATOM 722 O ILE A 51 -15.916 3.469 2.549 1.00 0.00 O ATOM 723 CB ILE A 51 -14.677 2.713 -0.225 1.00 0.00 C ATOM 724 CG1 ILE A 51 -14.995 2.669 -1.721 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.371 1.991 0.067 1.00 0.00 C ATOM 726 CD1 ILE A 51 -14.922 1.279 -2.313 1.00 0.00 C ATOM 0 H ILE A 51 -17.094 3.496 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.830 1.010 0.427 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.567 3.756 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.994 3.073 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.299 3.318 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.567 2.444 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.141 2.071 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.467 0.940 -0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.159 1.323 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.916 0.880 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.638 0.631 -1.808 1.00 0.00 H new ATOM 738 N THR A 52 -15.074 1.396 2.784 1.00 0.00 N ATOM 739 CA THR A 52 -14.812 1.546 4.210 1.00 0.00 C ATOM 740 C THR A 52 -13.315 1.617 4.490 1.00 0.00 C ATOM 741 O THR A 52 -12.881 2.272 5.436 1.00 0.00 O ATOM 742 CB THR A 52 -15.420 0.384 5.018 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.562 -0.761 4.950 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.800 0.021 4.491 1.00 0.00 C ATOM 0 H THR A 52 -14.814 0.487 2.401 1.00 0.00 H new ATOM 0 HA THR A 52 -15.281 2.479 4.521 1.00 0.00 H new ATOM 0 HB THR A 52 -15.518 0.704 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.954 -1.495 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.209 -0.802 5.078 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.459 0.886 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.723 -0.281 3.447 1.00 0.00 H new ATOM 752 N GLY A 53 -12.530 0.938 3.660 1.00 0.00 N ATOM 753 CA GLY A 53 -11.089 0.937 3.835 1.00 0.00 C ATOM 754 C GLY A 53 -10.363 0.306 2.665 1.00 0.00 C ATOM 755 O GLY A 53 -10.989 -0.133 1.700 1.00 0.00 O ATOM 0 H GLY A 53 -12.866 0.388 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.741 1.962 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.838 0.398 4.748 1.00 0.00 H new ATOM 759 N TYR A 54 -9.038 0.261 2.747 1.00 0.00 N ATOM 760 CA TYR A 54 -8.225 -0.318 1.685 1.00 0.00 C ATOM 761 C TYR A 54 -7.054 -1.108 2.263 1.00 0.00 C ATOM 762 O TYR A 54 -6.683 -0.928 3.423 1.00 0.00 O ATOM 763 CB TYR A 54 -7.704 0.781 0.756 1.00 0.00 C ATOM 764 CG TYR A 54 -8.780 1.728 0.277 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.430 2.578 1.163 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.147 1.774 -1.063 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.415 3.445 0.729 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.129 2.639 -1.506 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.760 3.472 -0.606 1.00 0.00 C ATOM 770 OH TYR A 54 -11.739 4.335 -1.042 1.00 0.00 O ATOM 0 H TYR A 54 -8.504 0.619 3.539 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.853 -1.001 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.935 1.351 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.227 0.319 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.161 2.561 2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.656 1.122 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.912 4.098 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.401 2.663 -2.551 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.411 4.838 -1.816 1.00 0.00 H new ATOM 780 N ILE A 55 -6.477 -1.981 1.444 1.00 0.00 N ATOM 781 CA ILE A 55 -5.347 -2.797 1.873 1.00 0.00 C ATOM 782 C ILE A 55 -4.289 -2.888 0.779 1.00 0.00 C ATOM 783 O ILE A 55 -4.547 -3.411 -0.306 1.00 0.00 O ATOM 784 CB ILE A 55 -5.795 -4.219 2.258 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.954 -4.160 3.255 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.628 -5.002 2.841 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.507 -5.520 3.620 1.00 0.00 C ATOM 0 H ILE A 55 -6.773 -2.142 0.481 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.919 -2.310 2.749 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.139 -4.731 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.617 -3.658 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.755 -3.552 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.960 -6.005 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.830 -5.069 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.257 -4.493 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.325 -5.401 4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.875 -6.016 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.720 -6.124 4.071 1.00 0.00 H new ATOM 799 N ILE A 56 -3.098 -2.378 1.072 1.00 0.00 N ATOM 800 CA ILE A 56 -1.999 -2.405 0.114 1.00 0.00 C ATOM 801 C ILE A 56 -1.090 -3.605 0.354 1.00 0.00 C ATOM 802 O ILE A 56 -0.907 -4.042 1.490 1.00 0.00 O ATOM 803 CB ILE A 56 -1.159 -1.116 0.185 1.00 0.00 C ATOM 804 CG1 ILE A 56 -2.012 0.097 -0.192 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.052 -1.223 -0.729 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.545 1.386 0.445 1.00 0.00 C ATOM 0 H ILE A 56 -2.869 -1.941 1.965 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.446 -2.484 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.808 -0.985 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.005 0.213 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.045 -0.090 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.636 -0.305 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.669 -2.066 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.280 -1.375 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.196 2.203 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.579 1.289 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.523 1.597 0.132 1.00 0.00 H new ATOM 818 N TYR A 57 -0.520 -4.133 -0.724 1.00 0.00 N ATOM 819 CA TYR A 57 0.370 -5.284 -0.631 1.00 0.00 C ATOM 820 C TYR A 57 1.675 -5.024 -1.378 1.00 0.00 C ATOM 821 O TYR A 57 1.677 -4.804 -2.589 1.00 0.00 O ATOM 822 CB TYR A 57 -0.313 -6.531 -1.194 1.00 0.00 C ATOM 823 CG TYR A 57 -1.755 -6.677 -0.765 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.781 -6.086 -1.493 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.093 -7.406 0.369 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.100 -6.216 -1.104 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.409 -7.543 0.765 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.409 -6.946 0.025 1.00 0.00 C ATOM 829 OH TYR A 57 -5.722 -7.078 0.417 1.00 0.00 O ATOM 0 H TYR A 57 -0.659 -3.782 -1.672 1.00 0.00 H new ATOM 0 HA TYR A 57 0.601 -5.449 0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.268 -6.499 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.243 -7.414 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.543 -5.515 -2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.313 -7.874 0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.885 -5.749 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.654 -8.114 1.648 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.767 -7.623 1.230 1.00 0.00 H new ATOM 839 N TYR A 58 2.783 -5.053 -0.646 1.00 0.00 N ATOM 840 CA TYR A 58 4.096 -4.819 -1.237 1.00 0.00 C ATOM 841 C TYR A 58 5.008 -6.024 -1.031 1.00 0.00 C ATOM 842 O TYR A 58 4.902 -6.734 -0.031 1.00 0.00 O ATOM 843 CB TYR A 58 4.736 -3.570 -0.630 1.00 0.00 C ATOM 844 CG TYR A 58 5.152 -3.743 0.813 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.282 -4.479 1.148 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.415 -3.170 1.842 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.664 -4.641 2.466 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.791 -3.325 3.162 1.00 0.00 C ATOM 849 CZ TYR A 58 5.916 -4.061 3.469 1.00 0.00 C ATOM 850 OH TYR A 58 6.294 -4.219 4.783 1.00 0.00 O ATOM 0 H TYR A 58 2.799 -5.236 0.357 1.00 0.00 H new ATOM 0 HA TYR A 58 3.963 -4.666 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.610 -3.296 -1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.032 -2.741 -0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.872 -4.932 0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.533 -2.593 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.543 -5.219 2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.207 -2.872 3.950 1.00 0.00 H new ATOM 0 HH TYR A 58 5.662 -3.747 5.364 1.00 0.00 H new ATOM 860 N SER A 59 5.907 -6.248 -1.985 1.00 0.00 N ATOM 861 CA SER A 59 6.837 -7.369 -1.911 1.00 0.00 C ATOM 862 C SER A 59 7.881 -7.282 -3.020 1.00 0.00 C ATOM 863 O SER A 59 7.597 -6.808 -4.121 1.00 0.00 O ATOM 864 CB SER A 59 6.080 -8.695 -2.010 1.00 0.00 C ATOM 865 OG SER A 59 5.706 -9.164 -0.726 1.00 0.00 O ATOM 0 H SER A 59 6.011 -5.668 -2.818 1.00 0.00 H new ATOM 0 HA SER A 59 7.348 -7.322 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.191 -8.565 -2.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.705 -9.438 -2.505 1.00 0.00 H new ATOM 0 HG SER A 59 5.286 -8.436 -0.221 1.00 0.00 H new ATOM 871 N THR A 60 9.092 -7.743 -2.723 1.00 0.00 N ATOM 872 CA THR A 60 10.179 -7.717 -3.692 1.00 0.00 C ATOM 873 C THR A 60 9.943 -8.726 -4.811 1.00 0.00 C ATOM 874 O THR A 60 10.592 -8.672 -5.855 1.00 0.00 O ATOM 875 CB THR A 60 11.535 -8.017 -3.024 1.00 0.00 C ATOM 876 OG1 THR A 60 11.563 -9.371 -2.559 1.00 0.00 O ATOM 877 CG2 THR A 60 11.785 -7.070 -1.861 1.00 0.00 C ATOM 0 H THR A 60 9.344 -8.139 -1.818 1.00 0.00 H new ATOM 0 HA THR A 60 10.203 -6.711 -4.112 1.00 0.00 H new ATOM 0 HB THR A 60 12.321 -7.872 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.428 -9.554 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.748 -7.300 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.792 -6.042 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.995 -7.188 -1.120 1.00 0.00 H new ATOM 885 N ASP A 61 9.010 -9.644 -4.585 1.00 0.00 N ATOM 886 CA ASP A 61 8.686 -10.665 -5.575 1.00 0.00 C ATOM 887 C ASP A 61 7.418 -10.298 -6.339 1.00 0.00 C ATOM 888 O ASP A 61 6.350 -10.134 -5.748 1.00 0.00 O ATOM 889 CB ASP A 61 8.514 -12.026 -4.898 1.00 0.00 C ATOM 890 CG ASP A 61 9.814 -12.802 -4.820 1.00 0.00 C ATOM 891 OD1 ASP A 61 10.183 -13.444 -5.825 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.462 -12.768 -3.752 1.00 0.00 O ATOM 0 H ASP A 61 8.465 -9.702 -3.725 1.00 0.00 H new ATOM 0 HA ASP A 61 9.511 -10.723 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.120 -11.881 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.777 -12.612 -5.448 1.00 0.00 H new ATOM 897 N VAL A 62 7.542 -10.170 -7.656 1.00 0.00 N ATOM 898 CA VAL A 62 6.406 -9.823 -8.501 1.00 0.00 C ATOM 899 C VAL A 62 5.634 -11.068 -8.923 1.00 0.00 C ATOM 900 O VAL A 62 4.663 -10.984 -9.673 1.00 0.00 O ATOM 901 CB VAL A 62 6.856 -9.059 -9.761 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.655 -9.970 -10.681 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.654 -8.476 -10.487 1.00 0.00 C ATOM 0 H VAL A 62 8.418 -10.302 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 62 5.756 -9.180 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 62 7.501 -8.236 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.964 -9.413 -11.566 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.537 -10.335 -10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.037 -10.816 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.990 -7.940 -11.374 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.982 -9.281 -10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.128 -7.788 -9.825 1.00 0.00 H new ATOM 913 N ASN A 63 6.074 -12.224 -8.436 1.00 0.00 N ATOM 914 CA ASN A 63 5.424 -13.488 -8.763 1.00 0.00 C ATOM 915 C ASN A 63 4.941 -14.194 -7.499 1.00 0.00 C ATOM 916 O ASN A 63 4.097 -15.088 -7.560 1.00 0.00 O ATOM 917 CB ASN A 63 6.386 -14.396 -9.531 1.00 0.00 C ATOM 918 CG ASN A 63 6.773 -13.819 -10.879 1.00 0.00 C ATOM 919 OD1 ASN A 63 7.869 -13.069 -10.909 1.00 0.00 O flip ATOM 920 ND2 ASN A 63 6.094 -14.044 -11.881 1.00 0.00 N flip ATOM 0 H ASN A 63 6.878 -12.311 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 63 4.559 -13.272 -9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.285 -14.555 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.923 -15.372 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.259 -14.626 -11.811 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.366 -13.648 -12.781 1.00 0.00 H new ATOM 927 N ALA A 64 5.481 -13.785 -6.356 1.00 0.00 N ATOM 928 CA ALA A 64 5.104 -14.376 -5.078 1.00 0.00 C ATOM 929 C ALA A 64 3.588 -14.484 -4.950 1.00 0.00 C ATOM 930 O ALA A 64 2.856 -13.586 -5.364 1.00 0.00 O ATOM 931 CB ALA A 64 5.675 -13.558 -3.929 1.00 0.00 C ATOM 0 H ALA A 64 6.181 -13.046 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 64 5.520 -15.383 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.385 -14.011 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.762 -13.536 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.287 -12.541 -3.979 1.00 0.00 H new ATOM 937 N GLU A 65 3.125 -15.590 -4.375 1.00 0.00 N ATOM 938 CA GLU A 65 1.696 -15.815 -4.194 1.00 0.00 C ATOM 939 C GLU A 65 1.001 -14.544 -3.714 1.00 0.00 C ATOM 940 O GLU A 65 1.433 -13.915 -2.748 1.00 0.00 O ATOM 941 CB GLU A 65 1.457 -16.948 -3.194 1.00 0.00 C ATOM 942 CG GLU A 65 1.365 -18.320 -3.840 1.00 0.00 C ATOM 943 CD GLU A 65 2.636 -18.709 -4.569 1.00 0.00 C ATOM 944 OE1 GLU A 65 3.730 -18.509 -4.000 1.00 0.00 O ATOM 945 OE2 GLU A 65 2.538 -19.212 -5.708 1.00 0.00 O ATOM 0 H GLU A 65 3.718 -16.343 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 65 1.275 -16.097 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.266 -16.953 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.535 -16.750 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.148 -19.064 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.531 -18.332 -4.541 1.00 0.00 H new ATOM 952 N ILE A 66 -0.077 -14.172 -4.397 1.00 0.00 N ATOM 953 CA ILE A 66 -0.831 -12.977 -4.040 1.00 0.00 C ATOM 954 C ILE A 66 -1.010 -12.870 -2.530 1.00 0.00 C ATOM 955 O ILE A 66 -1.071 -11.771 -1.977 1.00 0.00 O ATOM 956 CB ILE A 66 -2.217 -12.965 -4.712 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.952 -11.661 -4.392 1.00 0.00 C ATOM 958 CG2 ILE A 66 -3.035 -14.165 -4.260 1.00 0.00 C ATOM 959 CD1 ILE A 66 -2.096 -10.426 -4.566 1.00 0.00 C ATOM 0 H ILE A 66 -0.447 -14.681 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.255 -12.123 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.082 -13.028 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.828 -11.580 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.314 -11.700 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.012 -14.142 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.516 -15.083 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.165 -14.130 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.682 -9.540 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.233 -10.485 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.755 -10.362 -5.599 1.00 0.00 H new ATOM 971 N HIS A 67 -1.092 -14.019 -1.866 1.00 0.00 N ATOM 972 CA HIS A 67 -1.262 -14.055 -0.418 1.00 0.00 C ATOM 973 C HIS A 67 0.082 -13.914 0.290 1.00 0.00 C ATOM 974 O HIS A 67 0.158 -13.388 1.401 1.00 0.00 O ATOM 975 CB HIS A 67 -1.939 -15.359 0.005 1.00 0.00 C ATOM 976 CG HIS A 67 -1.582 -16.528 -0.861 1.00 0.00 C ATOM 977 ND1 HIS A 67 -1.998 -16.869 -2.103 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 -0.697 -17.510 -0.471 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 -1.362 -18.039 -2.438 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 -0.583 -18.405 -1.436 1.00 0.00 N flip ATOM 0 H HIS A 67 -1.043 -14.937 -2.308 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.895 -13.216 -0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.664 -15.584 1.036 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.020 -15.220 -0.014 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.660 -16.353 -2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.178 -17.543 0.475 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.480 -18.573 -3.369 1.00 0.00 H new ATOM 989 N ASP A 68 1.140 -14.386 -0.360 1.00 0.00 N ATOM 990 CA ASP A 68 2.482 -14.312 0.207 1.00 0.00 C ATOM 991 C ASP A 68 2.874 -12.865 0.486 1.00 0.00 C ATOM 992 O ASP A 68 3.687 -12.591 1.370 1.00 0.00 O ATOM 993 CB ASP A 68 3.495 -14.955 -0.741 1.00 0.00 C ATOM 994 CG ASP A 68 3.622 -16.450 -0.525 1.00 0.00 C ATOM 995 OD1 ASP A 68 2.684 -17.051 0.039 1.00 0.00 O ATOM 996 OD2 ASP A 68 4.660 -17.020 -0.921 1.00 0.00 O ATOM 0 H ASP A 68 1.095 -14.824 -1.280 1.00 0.00 H new ATOM 0 HA ASP A 68 2.483 -14.858 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.196 -14.764 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.469 -14.486 -0.600 1.00 0.00 H new ATOM 1001 N TRP A 69 2.294 -11.943 -0.273 1.00 0.00 N ATOM 1002 CA TRP A 69 2.584 -10.523 -0.107 1.00 0.00 C ATOM 1003 C TRP A 69 2.163 -10.039 1.276 1.00 0.00 C ATOM 1004 O TRP A 69 1.280 -10.621 1.906 1.00 0.00 O ATOM 1005 CB TRP A 69 1.871 -9.707 -1.186 1.00 0.00 C ATOM 1006 CG TRP A 69 2.481 -9.858 -2.547 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.707 -11.026 -3.217 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.943 -8.806 -3.400 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.283 -10.763 -4.437 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.438 -9.409 -4.574 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.987 -7.414 -3.289 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.969 -8.667 -5.625 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.514 -6.678 -4.333 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.999 -7.305 -5.489 1.00 0.00 C ATOM 0 H TRP A 69 1.620 -12.153 -1.009 1.00 0.00 H new ATOM 0 HA TRP A 69 3.660 -10.383 -0.207 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.825 -10.011 -1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.886 -8.654 -0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.468 -12.011 -2.844 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.552 -11.463 -5.129 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.615 -6.922 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.344 -9.148 -6.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.553 -5.601 -4.257 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.404 -6.702 -6.288 1.00 0.00 H new ATOM 1025 N VAL A 70 2.800 -8.970 1.743 1.00 0.00 N ATOM 1026 CA VAL A 70 2.490 -8.407 3.052 1.00 0.00 C ATOM 1027 C VAL A 70 1.167 -7.651 3.026 1.00 0.00 C ATOM 1028 O VAL A 70 0.802 -7.052 2.013 1.00 0.00 O ATOM 1029 CB VAL A 70 3.603 -7.455 3.531 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.693 -6.239 2.622 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.360 -7.036 4.973 1.00 0.00 C ATOM 0 H VAL A 70 3.534 -8.476 1.235 1.00 0.00 H new ATOM 0 HA VAL A 70 2.413 -9.244 3.746 1.00 0.00 H new ATOM 0 HB VAL A 70 4.555 -7.984 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.484 -5.578 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.917 -6.561 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.743 -5.705 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.155 -6.364 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.400 -6.524 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.350 -7.919 5.612 1.00 0.00 H new ATOM 1041 N ILE A 71 0.451 -7.683 4.145 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.832 -7.000 4.251 1.00 0.00 C ATOM 1043 C ILE A 71 -0.682 -5.655 4.953 1.00 0.00 C ATOM 1044 O ILE A 71 -0.248 -5.589 6.102 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.863 -7.853 5.013 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.076 -9.191 4.303 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.179 -7.101 5.145 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.928 -10.163 5.088 1.00 0.00 C ATOM 0 H ILE A 71 0.738 -8.175 4.991 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.188 -6.838 3.234 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.479 -8.052 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.544 -9.009 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.106 -9.647 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.897 -7.717 5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.014 -6.172 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.570 -6.874 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.037 -11.089 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.451 -10.375 6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.912 -9.727 5.262 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.046 -4.584 4.253 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.953 -3.240 4.811 1.00 0.00 C ATOM 1062 C GLU A 72 -2.302 -2.530 4.748 1.00 0.00 C ATOM 1063 O GLU A 72 -2.596 -1.782 3.815 1.00 0.00 O ATOM 1064 CB GLU A 72 0.101 -2.424 4.059 1.00 0.00 C ATOM 1065 CG GLU A 72 1.502 -2.565 4.631 1.00 0.00 C ATOM 1066 CD GLU A 72 1.927 -4.012 4.782 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.530 -4.839 3.935 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.658 -4.318 5.747 1.00 0.00 O ATOM 0 H GLU A 72 -1.407 -4.621 3.300 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.657 -3.328 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.111 -2.734 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.185 -1.372 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.209 -2.048 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.545 -2.074 5.603 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.144 -2.769 5.765 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.476 -2.163 5.849 1.00 0.00 C ATOM 1077 C PRO A 73 -4.414 -0.664 6.124 1.00 0.00 C ATOM 1078 O PRO A 73 -3.499 -0.183 6.791 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.126 -2.896 7.025 1.00 0.00 C ATOM 1080 CG PRO A 73 -3.983 -3.352 7.865 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.860 -3.650 6.911 1.00 0.00 C ATOM 0 HA PRO A 73 -5.027 -2.258 4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.790 -2.237 7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.727 -3.739 6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.693 -2.582 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.251 -4.238 8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.888 -3.433 7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.849 -4.700 6.618 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.395 0.068 5.606 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.453 1.513 5.797 1.00 0.00 C ATOM 1091 C VAL A 74 -6.735 1.921 6.512 1.00 0.00 C ATOM 1092 O VAL A 74 -7.837 1.691 6.014 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.367 2.261 4.453 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.424 3.764 4.674 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.100 1.871 3.707 1.00 0.00 C ATOM 0 H VAL A 74 -6.160 -0.315 5.051 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.595 1.786 6.411 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.223 1.975 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.362 4.276 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.362 4.024 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.589 4.071 5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.055 2.409 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.229 2.126 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.106 0.798 3.515 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.584 2.530 7.684 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.731 2.973 8.469 1.00 0.00 C ATOM 1107 C VAL A 75 -8.291 4.285 7.931 1.00 0.00 C ATOM 1108 O VAL A 75 -7.635 4.982 7.159 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.358 3.157 9.952 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -7.150 1.807 10.622 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.116 4.024 10.086 1.00 0.00 C ATOM 0 H VAL A 75 -5.679 2.728 8.111 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.491 2.196 8.386 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.182 3.663 10.455 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.887 1.957 11.669 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.069 1.224 10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.345 1.271 10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.867 4.143 11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.283 3.549 9.568 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.306 5.003 9.645 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.511 4.615 8.345 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.140 5.843 7.895 1.00 0.00 C ATOM 1123 C GLY A 76 -10.112 5.989 6.386 1.00 0.00 C ATOM 1124 O GLY A 76 -9.980 7.096 5.866 1.00 0.00 O ATOM 0 H GLY A 76 -10.075 4.054 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.174 5.866 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.633 6.695 8.349 1.00 0.00 H new ATOM 1128 N ASN A 77 -10.237 4.869 5.683 1.00 0.00 N ATOM 1129 CA ASN A 77 -10.223 4.877 4.224 1.00 0.00 C ATOM 1130 C ASN A 77 -9.276 5.949 3.695 1.00 0.00 C ATOM 1131 O ASN A 77 -9.670 6.802 2.899 1.00 0.00 O ATOM 1132 CB ASN A 77 -11.634 5.114 3.682 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.473 5.972 4.609 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -12.302 7.286 4.516 1.00 0.00 O flip ATOM 1135 ND2 ASN A 77 -13.266 5.459 5.400 1.00 0.00 N flip ATOM 0 H ASN A 77 -10.349 3.944 6.099 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.868 3.904 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.569 5.595 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.129 4.154 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.365 4.444 5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.824 6.049 6.018 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.025 5.898 4.142 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.021 6.865 3.713 1.00 0.00 C ATOM 1144 C ARG A 78 -6.546 6.564 2.295 1.00 0.00 C ATOM 1145 O ARG A 78 -6.067 5.465 2.010 1.00 0.00 O ATOM 1146 CB ARG A 78 -5.831 6.856 4.675 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.122 8.197 4.778 1.00 0.00 C ATOM 1148 CD ARG A 78 -5.716 9.058 5.882 1.00 0.00 C ATOM 1149 NE ARG A 78 -5.287 10.450 5.781 1.00 0.00 N ATOM 1150 CZ ARG A 78 -5.975 11.469 6.284 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -7.118 11.253 6.919 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -5.519 12.708 6.151 1.00 0.00 N ATOM 0 H ARG A 78 -7.683 5.198 4.800 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.479 7.854 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.177 6.560 5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.116 6.101 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.062 8.035 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.195 8.723 3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.804 9.010 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.422 8.657 6.852 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.411 10.651 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.472 10.302 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.644 12.038 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.640 12.878 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.048 13.490 6.537 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.682 7.545 1.410 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.267 7.384 0.021 1.00 0.00 C ATOM 1168 C LEU A 79 -4.748 7.449 -0.105 1.00 0.00 C ATOM 1169 O LEU A 79 -4.194 7.259 -1.188 1.00 0.00 O ATOM 1170 CB LEU A 79 -6.908 8.465 -0.852 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.430 8.401 -0.989 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -8.927 9.489 -1.928 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -8.864 7.029 -1.482 1.00 0.00 C ATOM 0 H LEU A 79 -7.076 8.460 1.629 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.600 6.404 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.640 9.440 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.471 8.406 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.872 8.568 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.012 9.428 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.648 10.466 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.477 9.354 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.950 7.002 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.413 6.832 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.541 6.268 -0.772 1.00 0.00 H new ATOM 1185 N THR A 80 -4.078 7.717 1.012 1.00 0.00 N ATOM 1186 CA THR A 80 -2.623 7.805 1.028 1.00 0.00 C ATOM 1187 C THR A 80 -2.044 7.116 2.258 1.00 0.00 C ATOM 1188 O THR A 80 -2.575 7.244 3.362 1.00 0.00 O ATOM 1189 CB THR A 80 -2.149 9.271 1.004 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.728 9.329 1.173 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.829 10.078 2.099 1.00 0.00 C ATOM 0 H THR A 80 -4.520 7.877 1.917 1.00 0.00 H new ATOM 0 HA THR A 80 -2.266 7.300 0.130 1.00 0.00 H new ATOM 0 HB THR A 80 -2.417 9.701 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.434 10.264 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.478 11.109 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.909 10.056 1.950 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.588 9.648 3.071 1.00 0.00 H new ATOM 1199 N HIS A 81 -0.951 6.385 2.061 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.299 5.676 3.156 1.00 0.00 C ATOM 1201 C HIS A 81 1.179 6.045 3.238 1.00 0.00 C ATOM 1202 O HIS A 81 1.767 6.510 2.262 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.449 4.165 2.975 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.195 3.384 4.227 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.564 3.828 5.480 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.393 2.179 4.415 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.212 2.931 6.384 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.370 1.921 5.764 1.00 0.00 N ATOM 0 H HIS A 81 -0.499 6.268 1.154 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.783 5.973 4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.456 3.948 2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.241 3.830 2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.804 1.540 3.647 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.373 3.010 7.449 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.742 1.085 6.214 1.00 0.00 H new ATOM 1217 N GLN A 82 1.773 5.836 4.409 1.00 0.00 N ATOM 1218 CA GLN A 82 3.181 6.149 4.618 1.00 0.00 C ATOM 1219 C GLN A 82 3.963 4.901 5.016 1.00 0.00 C ATOM 1220 O GLN A 82 3.974 4.510 6.184 1.00 0.00 O ATOM 1221 CB GLN A 82 3.332 7.225 5.695 1.00 0.00 C ATOM 1222 CG GLN A 82 3.309 8.642 5.146 1.00 0.00 C ATOM 1223 CD GLN A 82 3.280 9.691 6.240 1.00 0.00 C ATOM 1224 OE1 GLN A 82 2.919 9.404 7.382 1.00 0.00 O ATOM 1225 NE2 GLN A 82 3.662 10.916 5.897 1.00 0.00 N ATOM 0 H GLN A 82 1.301 5.451 5.227 1.00 0.00 H new ATOM 0 HA GLN A 82 3.587 6.526 3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.529 7.113 6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.270 7.066 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.187 8.799 4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.435 8.766 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.954 11.110 4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.664 11.663 6.592 1.00 0.00 H new ATOM 1234 N ILE A 83 4.615 4.281 4.038 1.00 0.00 N ATOM 1235 CA ILE A 83 5.399 3.078 4.287 1.00 0.00 C ATOM 1236 C ILE A 83 6.882 3.407 4.425 1.00 0.00 C ATOM 1237 O ILE A 83 7.497 3.938 3.501 1.00 0.00 O ATOM 1238 CB ILE A 83 5.217 2.043 3.161 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.746 1.639 3.043 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.088 0.823 3.417 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.457 0.750 1.854 1.00 0.00 C ATOM 0 H ILE A 83 4.616 4.592 3.067 1.00 0.00 H new ATOM 0 HA ILE A 83 5.035 2.653 5.222 1.00 0.00 H new ATOM 0 HB ILE A 83 5.527 2.495 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.445 1.122 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.135 2.539 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.948 0.101 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.135 1.125 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.806 0.368 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.395 0.503 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.726 1.272 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.041 -0.167 1.935 1.00 0.00 H new ATOM 1253 N GLN A 84 7.449 3.086 5.583 1.00 0.00 N ATOM 1254 CA GLN A 84 8.860 3.348 5.841 1.00 0.00 C ATOM 1255 C GLN A 84 9.588 2.066 6.233 1.00 0.00 C ATOM 1256 O GLN A 84 9.005 0.982 6.222 1.00 0.00 O ATOM 1257 CB GLN A 84 9.014 4.394 6.946 1.00 0.00 C ATOM 1258 CG GLN A 84 8.087 4.168 8.130 1.00 0.00 C ATOM 1259 CD GLN A 84 8.675 4.668 9.435 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.449 5.625 9.454 1.00 0.00 O ATOM 1261 NE2 GLN A 84 8.310 4.021 10.535 1.00 0.00 N ATOM 0 H GLN A 84 6.953 2.644 6.357 1.00 0.00 H new ATOM 0 HA GLN A 84 9.306 3.732 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.046 4.391 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.823 5.383 6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.139 4.673 7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.869 3.104 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.666 3.233 10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.674 4.312 11.442 1.00 0.00 H new ATOM 1270 N GLU A 85 10.865 2.198 6.577 1.00 0.00 N ATOM 1271 CA GLU A 85 11.672 1.050 6.971 1.00 0.00 C ATOM 1272 C GLU A 85 11.791 0.049 5.825 1.00 0.00 C ATOM 1273 O GLU A 85 11.549 -1.146 6.002 1.00 0.00 O ATOM 1274 CB GLU A 85 11.064 0.367 8.198 1.00 0.00 C ATOM 1275 CG GLU A 85 11.241 1.156 9.484 1.00 0.00 C ATOM 1276 CD GLU A 85 11.120 0.289 10.722 1.00 0.00 C ATOM 1277 OE1 GLU A 85 9.982 -0.080 11.080 1.00 0.00 O ATOM 1278 OE2 GLU A 85 12.165 -0.021 11.333 1.00 0.00 O ATOM 0 H GLU A 85 11.363 3.088 6.591 1.00 0.00 H new ATOM 0 HA GLU A 85 12.670 1.410 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.000 0.206 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.519 -0.616 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.218 1.639 9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.494 1.948 9.525 1.00 0.00 H new ATOM 1285 N LEU A 86 12.163 0.545 4.651 1.00 0.00 N ATOM 1286 CA LEU A 86 12.313 -0.304 3.474 1.00 0.00 C ATOM 1287 C LEU A 86 13.749 -0.276 2.962 1.00 0.00 C ATOM 1288 O LEU A 86 14.583 0.482 3.459 1.00 0.00 O ATOM 1289 CB LEU A 86 11.356 0.148 2.369 1.00 0.00 C ATOM 1290 CG LEU A 86 9.867 0.106 2.711 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.070 0.953 1.732 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.361 -1.330 2.712 1.00 0.00 C ATOM 0 H LEU A 86 12.367 1.531 4.488 1.00 0.00 H new ATOM 0 HA LEU A 86 12.069 -1.327 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.615 1.169 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.524 -0.477 1.492 1.00 0.00 H new ATOM 0 HG LEU A 86 9.731 0.519 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.012 0.911 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.414 1.986 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.211 0.570 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.299 -1.341 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.510 -1.769 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.911 -1.909 3.454 1.00 0.00 H new ATOM 1304 N THR A 87 14.032 -1.107 1.963 1.00 0.00 N ATOM 1305 CA THR A 87 15.367 -1.177 1.383 1.00 0.00 C ATOM 1306 C THR A 87 15.544 -0.137 0.283 1.00 0.00 C ATOM 1307 O THR A 87 14.598 0.189 -0.435 1.00 0.00 O ATOM 1308 CB THR A 87 15.655 -2.575 0.803 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.341 -3.581 1.773 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.114 -2.700 0.390 1.00 0.00 C ATOM 0 H THR A 87 13.354 -1.741 1.539 1.00 0.00 H new ATOM 0 HA THR A 87 16.072 -0.973 2.189 1.00 0.00 H new ATOM 0 HB THR A 87 15.031 -2.714 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.481 -3.994 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.293 -3.695 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.343 -1.952 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.753 -2.543 1.259 1.00 0.00 H new ATOM 1318 N LEU A 88 16.761 0.381 0.154 1.00 0.00 N ATOM 1319 CA LEU A 88 17.062 1.384 -0.860 1.00 0.00 C ATOM 1320 C LEU A 88 17.677 0.740 -2.098 1.00 0.00 C ATOM 1321 O LEU A 88 18.016 -0.444 -2.091 1.00 0.00 O ATOM 1322 CB LEU A 88 18.013 2.440 -0.295 1.00 0.00 C ATOM 1323 CG LEU A 88 17.564 3.127 0.995 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.707 3.928 1.599 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.362 4.022 0.732 1.00 0.00 C ATOM 0 H LEU A 88 17.555 0.122 0.740 1.00 0.00 H new ATOM 0 HA LEU A 88 16.127 1.864 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.980 1.970 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.167 3.205 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 88 17.269 2.359 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.369 4.410 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.539 3.261 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.034 4.688 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.056 4.503 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.629 4.784 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.538 3.421 0.346 1.00 0.00 H new ATOM 1337 N ASP A 89 17.820 1.526 -3.159 1.00 0.00 N ATOM 1338 CA ASP A 89 18.397 1.033 -4.404 1.00 0.00 C ATOM 1339 C ASP A 89 17.897 -0.374 -4.716 1.00 0.00 C ATOM 1340 O ASP A 89 18.672 -1.248 -5.107 1.00 0.00 O ATOM 1341 CB ASP A 89 19.925 1.038 -4.320 1.00 0.00 C ATOM 1342 CG ASP A 89 20.575 0.448 -5.556 1.00 0.00 C ATOM 1343 OD1 ASP A 89 19.974 0.544 -6.646 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.685 -0.110 -5.432 1.00 0.00 O ATOM 0 H ASP A 89 17.544 2.508 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 89 18.083 1.697 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.275 2.061 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.240 0.473 -3.443 1.00 0.00 H new ATOM 1349 N THR A 90 16.597 -0.587 -4.538 1.00 0.00 N ATOM 1350 CA THR A 90 15.994 -1.888 -4.798 1.00 0.00 C ATOM 1351 C THR A 90 14.599 -1.738 -5.393 1.00 0.00 C ATOM 1352 O THR A 90 13.771 -0.965 -4.911 1.00 0.00 O ATOM 1353 CB THR A 90 15.903 -2.732 -3.512 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.211 -2.941 -2.969 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.244 -4.074 -3.791 1.00 0.00 C ATOM 0 H THR A 90 15.942 0.125 -4.215 1.00 0.00 H new ATOM 0 HA THR A 90 16.639 -2.398 -5.514 1.00 0.00 H new ATOM 0 HB THR A 90 15.293 -2.189 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.527 -2.113 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.191 -4.652 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.237 -3.912 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.831 -4.621 -4.529 1.00 0.00 H new ATOM 1363 N PRO A 91 14.329 -2.495 -6.468 1.00 0.00 N ATOM 1364 CA PRO A 91 13.033 -2.465 -7.152 1.00 0.00 C ATOM 1365 C PRO A 91 11.920 -3.085 -6.314 1.00 0.00 C ATOM 1366 O PRO A 91 11.874 -4.301 -6.127 1.00 0.00 O ATOM 1367 CB PRO A 91 13.278 -3.296 -8.414 1.00 0.00 C ATOM 1368 CG PRO A 91 14.400 -4.207 -8.054 1.00 0.00 C ATOM 1369 CD PRO A 91 15.268 -3.439 -7.097 1.00 0.00 C ATOM 0 HA PRO A 91 12.703 -1.446 -7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.388 -3.857 -8.698 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.539 -2.662 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.027 -5.122 -7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.962 -4.502 -8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.732 -4.095 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.074 -2.919 -7.614 1.00 0.00 H new ATOM 1377 N TYR A 92 11.025 -2.242 -5.811 1.00 0.00 N ATOM 1378 CA TYR A 92 9.913 -2.708 -4.991 1.00 0.00 C ATOM 1379 C TYR A 92 8.590 -2.570 -5.737 1.00 0.00 C ATOM 1380 O TYR A 92 8.394 -1.629 -6.508 1.00 0.00 O ATOM 1381 CB TYR A 92 9.856 -1.922 -3.679 1.00 0.00 C ATOM 1382 CG TYR A 92 10.661 -2.548 -2.563 1.00 0.00 C ATOM 1383 CD1 TYR A 92 12.049 -2.566 -2.606 1.00 0.00 C ATOM 1384 CD2 TYR A 92 10.032 -3.121 -1.464 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.788 -3.138 -1.589 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.763 -3.693 -0.441 1.00 0.00 C ATOM 1387 CZ TYR A 92 12.141 -3.700 -0.508 1.00 0.00 C ATOM 1388 OH TYR A 92 12.874 -4.269 0.508 1.00 0.00 O ATOM 0 H TYR A 92 11.048 -1.233 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 92 10.075 -3.763 -4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.221 -0.910 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.817 -1.836 -3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.559 -2.125 -3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.953 -3.119 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.867 -3.145 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.258 -4.132 0.407 1.00 0.00 H new ATOM 0 HH TYR A 92 12.267 -4.618 1.194 1.00 0.00 H new ATOM 1398 N TYR A 93 7.685 -3.514 -5.503 1.00 0.00 N ATOM 1399 CA TYR A 93 6.381 -3.500 -6.154 1.00 0.00 C ATOM 1400 C TYR A 93 5.264 -3.303 -5.133 1.00 0.00 C ATOM 1401 O TYR A 93 5.318 -3.838 -4.026 1.00 0.00 O ATOM 1402 CB TYR A 93 6.158 -4.803 -6.924 1.00 0.00 C ATOM 1403 CG TYR A 93 7.269 -5.128 -7.898 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.407 -5.807 -7.482 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.178 -4.757 -9.234 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.424 -6.105 -8.368 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.190 -5.053 -10.127 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.311 -5.727 -9.689 1.00 0.00 C ATOM 1409 OH TYR A 93 10.321 -6.023 -10.575 1.00 0.00 O ATOM 0 H TYR A 93 7.831 -4.298 -4.867 1.00 0.00 H new ATOM 0 HA TYR A 93 6.362 -2.664 -6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.058 -5.623 -6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.216 -4.737 -7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.498 -6.107 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.302 -4.229 -9.580 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.303 -6.632 -8.028 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.104 -4.758 -11.162 1.00 0.00 H new ATOM 0 HH TYR A 93 10.084 -5.688 -11.465 1.00 0.00 H new ATOM 1419 N PHE A 94 4.252 -2.531 -5.514 1.00 0.00 N ATOM 1420 CA PHE A 94 3.122 -2.261 -4.633 1.00 0.00 C ATOM 1421 C PHE A 94 1.801 -2.558 -5.337 1.00 0.00 C ATOM 1422 O PHE A 94 1.711 -2.503 -6.564 1.00 0.00 O ATOM 1423 CB PHE A 94 3.148 -0.804 -4.167 1.00 0.00 C ATOM 1424 CG PHE A 94 4.433 -0.412 -3.495 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.491 0.092 -4.234 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.583 -0.549 -2.124 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.675 0.453 -3.619 1.00 0.00 C ATOM 1428 CE2 PHE A 94 5.763 -0.188 -1.503 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.811 0.312 -2.252 1.00 0.00 C ATOM 0 H PHE A 94 4.191 -2.081 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 94 3.206 -2.914 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.983 -0.153 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.321 -0.637 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.389 0.204 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.768 -0.942 -1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.492 0.845 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.866 -0.296 -0.433 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.735 0.592 -1.769 1.00 0.00 H new ATOM 1439 N LYS A 95 0.778 -2.875 -4.551 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.540 -3.181 -5.096 1.00 0.00 C ATOM 1441 C LYS A 95 -1.639 -2.548 -4.250 1.00 0.00 C ATOM 1442 O LYS A 95 -1.643 -2.674 -3.025 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.746 -4.696 -5.167 1.00 0.00 C ATOM 1444 CG LYS A 95 0.017 -5.361 -6.300 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.183 -6.867 -6.299 1.00 0.00 C ATOM 1446 CE LYS A 95 -0.007 -7.454 -7.691 1.00 0.00 C ATOM 1447 NZ LYS A 95 -1.233 -7.295 -8.520 1.00 0.00 N ATOM 0 H LYS A 95 0.836 -2.927 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.595 -2.765 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.437 -5.141 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.809 -4.905 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.314 -4.950 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.079 -5.134 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.529 -7.329 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.180 -7.102 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.832 -6.966 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.242 -8.512 -7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.084 -7.738 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.036 -7.753 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.437 -6.283 -8.648 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.570 -1.868 -4.910 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.676 -1.217 -4.218 1.00 0.00 C ATOM 1463 C ILE A 96 -5.010 -1.857 -4.589 1.00 0.00 C ATOM 1464 O ILE A 96 -5.210 -2.279 -5.728 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.734 0.288 -4.540 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.430 0.971 -4.125 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.922 0.933 -3.842 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.162 2.262 -4.865 1.00 0.00 C ATOM 0 H ILE A 96 -2.581 -1.753 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.499 -1.345 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.859 0.410 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.461 1.175 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.600 0.285 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.950 1.997 -4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.844 0.461 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.825 0.804 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.221 2.691 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.099 2.062 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.973 2.965 -4.675 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.918 -1.923 -3.621 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.233 -2.510 -3.847 1.00 0.00 C ATOM 1482 C GLN A 97 -8.264 -1.920 -2.891 1.00 0.00 C ATOM 1483 O GLN A 97 -7.987 -1.724 -1.708 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.173 -4.029 -3.677 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.522 -4.712 -3.831 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.544 -6.104 -3.229 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.561 -6.264 -2.009 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.543 -7.119 -4.085 1.00 0.00 N ATOM 0 H GLN A 97 -5.767 -1.577 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.536 -2.278 -4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.480 -4.441 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.768 -4.260 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.290 -4.102 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.775 -4.774 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.529 -6.939 -5.089 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.557 -8.078 -3.739 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.454 -1.638 -3.412 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.527 -1.072 -2.604 1.00 0.00 C ATOM 1499 C ALA A 98 -11.531 -2.144 -2.195 1.00 0.00 C ATOM 1500 O ALA A 98 -11.813 -3.067 -2.960 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.225 0.047 -3.363 1.00 0.00 C ATOM 0 H ALA A 98 -9.699 -1.792 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.086 -0.660 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.024 0.461 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.505 0.831 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.646 -0.348 -4.287 1.00 0.00 H new ATOM 1507 N ARG A 99 -12.068 -2.016 -0.986 1.00 0.00 N ATOM 1508 CA ARG A 99 -13.039 -2.976 -0.476 1.00 0.00 C ATOM 1509 C ARG A 99 -14.018 -2.302 0.482 1.00 0.00 C ATOM 1510 O ARG A 99 -13.723 -1.251 1.048 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.326 -4.128 0.234 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.621 -3.711 1.515 1.00 0.00 C ATOM 1513 CD ARG A 99 -10.340 -4.502 1.728 1.00 0.00 C ATOM 1514 NE ARG A 99 -9.321 -4.171 0.735 1.00 0.00 N ATOM 1515 CZ ARG A 99 -8.327 -4.987 0.403 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -8.219 -6.176 0.981 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -7.439 -4.615 -0.510 1.00 0.00 N ATOM 0 H ARG A 99 -11.847 -1.257 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.599 -3.372 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.053 -4.906 0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.596 -4.567 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.390 -2.646 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.288 -3.861 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.952 -4.301 2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.560 -5.568 1.680 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.376 -3.264 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.900 -6.466 1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.455 -6.800 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.519 -3.702 -0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.676 -5.242 -0.764 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.184 -2.916 0.657 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.206 -2.375 1.545 1.00 0.00 C ATOM 1533 C ASN A 100 -16.632 -3.412 2.580 1.00 0.00 C ATOM 1534 O ASN A 100 -16.077 -4.509 2.639 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.422 -1.915 0.737 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.902 -2.973 -0.238 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.429 -4.109 -0.220 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.846 -2.602 -1.095 1.00 0.00 N ATOM 0 H ASN A 100 -15.444 -3.788 0.196 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.781 -1.519 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.233 -1.659 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.168 -1.008 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.209 -3.270 -1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.209 -1.649 -1.073 1.00 0.00 H new ATOM 1545 N SER A 101 -17.621 -3.056 3.393 1.00 0.00 N ATOM 1546 CA SER A 101 -18.120 -3.955 4.428 1.00 0.00 C ATOM 1547 C SER A 101 -18.408 -5.338 3.854 1.00 0.00 C ATOM 1548 O SER A 101 -18.259 -6.351 4.538 1.00 0.00 O ATOM 1549 CB SER A 101 -19.387 -3.380 5.064 1.00 0.00 C ATOM 1550 OG SER A 101 -19.787 -4.147 6.187 1.00 0.00 O ATOM 0 H SER A 101 -18.093 -2.152 3.356 1.00 0.00 H new ATOM 0 HA SER A 101 -17.350 -4.052 5.193 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.209 -2.349 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.191 -3.361 4.328 1.00 0.00 H new ATOM 0 HG SER A 101 -20.598 -3.758 6.577 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.822 -5.374 2.591 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.130 -6.631 1.922 1.00 0.00 C ATOM 1558 C LYS A 102 -17.857 -7.422 1.636 1.00 0.00 C ATOM 1559 O LYS A 102 -17.622 -8.474 2.228 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.883 -6.367 0.616 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.370 -6.124 0.809 1.00 0.00 C ATOM 1562 CD LYS A 102 -22.113 -7.418 1.093 1.00 0.00 C ATOM 1563 CE LYS A 102 -23.339 -7.178 1.961 1.00 0.00 C ATOM 1564 NZ LYS A 102 -24.552 -6.900 1.143 1.00 0.00 N ATOM 0 H LYS A 102 -18.952 -4.545 2.011 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.762 -7.221 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.443 -5.501 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.746 -7.218 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.522 -5.427 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.782 -5.655 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -22.416 -7.879 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.445 -8.121 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -23.516 -8.052 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -23.152 -6.338 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -25.366 -6.742 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -24.393 -6.052 0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -24.746 -7.712 0.523 1.00 0.00 H new ATOM 1578 N GLY A 103 -17.038 -6.907 0.724 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.799 -7.577 0.377 1.00 0.00 C ATOM 1580 C GLY A 103 -14.885 -6.708 -0.463 1.00 0.00 C ATOM 1581 O GLY A 103 -15.129 -5.513 -0.623 1.00 0.00 O ATOM 0 H GLY A 103 -17.211 -6.038 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.280 -7.869 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.026 -8.493 -0.168 1.00 0.00 H new ATOM 1585 N MET A 104 -13.828 -7.309 -1.001 1.00 0.00 N ATOM 1586 CA MET A 104 -12.874 -6.581 -1.829 1.00 0.00 C ATOM 1587 C MET A 104 -13.096 -6.883 -3.308 1.00 0.00 C ATOM 1588 O MET A 104 -13.824 -7.810 -3.659 1.00 0.00 O ATOM 1589 CB MET A 104 -11.441 -6.943 -1.432 1.00 0.00 C ATOM 1590 CG MET A 104 -11.276 -7.233 0.051 1.00 0.00 C ATOM 1591 SD MET A 104 -11.646 -8.947 0.468 1.00 0.00 S ATOM 1592 CE MET A 104 -9.994 -9.613 0.659 1.00 0.00 C ATOM 0 H MET A 104 -13.611 -8.298 -0.878 1.00 0.00 H new ATOM 0 HA MET A 104 -13.030 -5.514 -1.667 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.124 -7.816 -2.002 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.778 -6.124 -1.710 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.254 -7.003 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.931 -6.575 0.621 1.00 0.00 H new ATOM 0 HE1 MET A 104 -10.056 -10.670 0.919 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.446 -9.501 -0.276 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.474 -9.074 1.451 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.465 -6.092 -4.170 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.607 -6.291 -5.601 1.00 0.00 C ATOM 1604 C GLY A 105 -11.316 -6.742 -6.255 1.00 0.00 C ATOM 1605 O GLY A 105 -10.440 -7.321 -5.613 1.00 0.00 O ATOM 0 H GLY A 105 -11.858 -5.317 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.383 -7.034 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.939 -5.361 -6.063 1.00 0.00 H new ATOM 1609 N PRO A 106 -11.187 -6.477 -7.563 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.998 -6.852 -8.333 1.00 0.00 C ATOM 1611 C PRO A 106 -8.773 -6.030 -7.946 1.00 0.00 C ATOM 1612 O PRO A 106 -8.879 -4.837 -7.662 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.404 -6.557 -9.779 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.455 -5.507 -9.671 1.00 0.00 C ATOM 1615 CD PRO A 106 -12.192 -5.790 -8.391 1.00 0.00 C ATOM 0 HA PRO A 106 -9.711 -7.889 -8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.554 -6.208 -10.365 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.786 -7.450 -10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.012 -4.511 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -12.130 -5.541 -10.526 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.543 -4.873 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -13.068 -6.416 -8.562 1.00 0.00 H new ATOM 1623 N MET A 107 -7.612 -6.676 -7.936 1.00 0.00 N ATOM 1624 CA MET A 107 -6.367 -6.003 -7.585 1.00 0.00 C ATOM 1625 C MET A 107 -5.792 -5.260 -8.787 1.00 0.00 C ATOM 1626 O MET A 107 -6.035 -5.635 -9.934 1.00 0.00 O ATOM 1627 CB MET A 107 -5.346 -7.014 -7.059 1.00 0.00 C ATOM 1628 CG MET A 107 -5.840 -7.811 -5.863 1.00 0.00 C ATOM 1629 SD MET A 107 -5.684 -6.904 -4.312 1.00 0.00 S ATOM 1630 CE MET A 107 -5.872 -8.231 -3.124 1.00 0.00 C ATOM 0 H MET A 107 -7.507 -7.664 -8.167 1.00 0.00 H new ATOM 0 HA MET A 107 -6.585 -5.277 -6.802 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.083 -7.704 -7.861 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.434 -6.486 -6.781 1.00 0.00 H new ATOM 0 HG2 MET A 107 -6.884 -8.081 -6.018 1.00 0.00 H new ATOM 0 HG3 MET A 107 -5.277 -8.742 -5.794 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.272 -7.831 -2.192 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.557 -8.981 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 107 -4.902 -8.690 -2.935 1.00 0.00 H new ATOM 1640 N SER A 108 -5.029 -4.206 -8.516 1.00 0.00 N ATOM 1641 CA SER A 108 -4.424 -3.408 -9.576 1.00 0.00 C ATOM 1642 C SER A 108 -3.105 -4.024 -10.033 1.00 0.00 C ATOM 1643 O SER A 108 -2.517 -4.848 -9.333 1.00 0.00 O ATOM 1644 CB SER A 108 -4.191 -1.975 -9.095 1.00 0.00 C ATOM 1645 OG SER A 108 -3.306 -1.946 -7.989 1.00 0.00 O ATOM 0 H SER A 108 -4.815 -3.885 -7.572 1.00 0.00 H new ATOM 0 HA SER A 108 -5.111 -3.392 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.781 -1.377 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.142 -1.523 -8.815 1.00 0.00 H new ATOM 0 HG SER A 108 -3.808 -2.111 -7.164 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.647 -3.618 -11.213 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.398 -4.130 -11.764 1.00 0.00 C ATOM 1653 C GLU A 109 -0.202 -3.638 -10.953 1.00 0.00 C ATOM 1654 O GLU A 109 -0.018 -2.436 -10.766 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.246 -3.703 -13.226 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.301 -2.199 -13.429 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.647 -1.815 -14.855 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -2.844 -1.857 -15.208 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -0.719 -1.473 -15.618 1.00 0.00 O ATOM 0 H GLU A 109 -3.122 -2.937 -11.805 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.428 -5.218 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.297 -4.078 -13.609 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.035 -4.170 -13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.041 -1.772 -12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.337 -1.765 -13.163 1.00 0.00 H new ATOM 1666 N ALA A 110 0.606 -4.577 -10.473 1.00 0.00 N ATOM 1667 CA ALA A 110 1.784 -4.240 -9.683 1.00 0.00 C ATOM 1668 C ALA A 110 2.422 -2.945 -10.175 1.00 0.00 C ATOM 1669 O ALA A 110 2.432 -2.661 -11.372 1.00 0.00 O ATOM 1670 CB ALA A 110 2.793 -5.378 -9.728 1.00 0.00 C ATOM 0 H ALA A 110 0.467 -5.577 -10.617 1.00 0.00 H new ATOM 0 HA ALA A 110 1.468 -4.090 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.667 -5.113 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.340 -6.282 -9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.096 -5.555 -10.760 1.00 0.00 H new ATOM 1676 N VAL A 111 2.954 -2.161 -9.241 1.00 0.00 N ATOM 1677 CA VAL A 111 3.595 -0.896 -9.580 1.00 0.00 C ATOM 1678 C VAL A 111 5.070 -0.908 -9.197 1.00 0.00 C ATOM 1679 O VAL A 111 5.420 -0.745 -8.028 1.00 0.00 O ATOM 1680 CB VAL A 111 2.903 0.288 -8.878 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.631 1.588 -9.183 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.443 0.375 -9.295 1.00 0.00 C ATOM 0 H VAL A 111 2.953 -2.380 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 111 3.504 -0.773 -10.659 1.00 0.00 H new ATOM 0 HB VAL A 111 2.940 0.122 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.128 2.413 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.660 1.520 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.627 1.763 -10.259 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.970 1.217 -8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.381 0.518 -10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.931 -0.547 -9.021 1.00 0.00 H new ATOM 1692 N GLN A 112 5.932 -1.101 -10.191 1.00 0.00 N ATOM 1693 CA GLN A 112 7.371 -1.134 -9.958 1.00 0.00 C ATOM 1694 C GLN A 112 7.909 0.265 -9.679 1.00 0.00 C ATOM 1695 O GLN A 112 8.133 1.050 -10.601 1.00 0.00 O ATOM 1696 CB GLN A 112 8.090 -1.740 -11.164 1.00 0.00 C ATOM 1697 CG GLN A 112 9.581 -1.941 -10.945 1.00 0.00 C ATOM 1698 CD GLN A 112 10.308 -2.347 -12.213 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.683 -2.662 -13.226 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.635 -2.340 -12.163 1.00 0.00 N ATOM 0 H GLN A 112 5.659 -1.237 -11.164 1.00 0.00 H new ATOM 0 HA GLN A 112 7.558 -1.756 -9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.634 -2.700 -11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.942 -1.092 -12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 112 10.016 -1.018 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.733 -2.706 -10.183 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.112 -2.072 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.178 -2.603 -12.986 1.00 0.00 H new ATOM 1709 N PHE A 113 8.115 0.571 -8.402 1.00 0.00 N ATOM 1710 CA PHE A 113 8.626 1.877 -8.002 1.00 0.00 C ATOM 1711 C PHE A 113 10.001 1.747 -7.353 1.00 0.00 C ATOM 1712 O PHE A 113 10.138 1.174 -6.272 1.00 0.00 O ATOM 1713 CB PHE A 113 7.654 2.554 -7.033 1.00 0.00 C ATOM 1714 CG PHE A 113 8.260 3.706 -6.284 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.963 3.492 -5.109 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.126 5.002 -6.753 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.522 4.550 -4.416 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.683 6.064 -6.066 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.381 5.838 -4.895 1.00 0.00 C ATOM 0 H PHE A 113 7.936 -0.067 -7.627 1.00 0.00 H new ATOM 0 HA PHE A 113 8.722 2.491 -8.897 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.787 2.909 -7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.293 1.815 -6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.076 2.487 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.580 5.185 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.068 4.370 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.573 7.070 -6.444 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.815 6.667 -4.355 1.00 0.00 H new ATOM 1729 N ARG A 114 11.017 2.284 -8.021 1.00 0.00 N ATOM 1730 CA ARG A 114 12.382 2.227 -7.512 1.00 0.00 C ATOM 1731 C ARG A 114 12.549 3.142 -6.302 1.00 0.00 C ATOM 1732 O ARG A 114 12.146 4.305 -6.329 1.00 0.00 O ATOM 1733 CB ARG A 114 13.375 2.623 -8.606 1.00 0.00 C ATOM 1734 CG ARG A 114 14.823 2.324 -8.252 1.00 0.00 C ATOM 1735 CD ARG A 114 15.742 2.535 -9.445 1.00 0.00 C ATOM 1736 NE ARG A 114 15.721 3.917 -9.915 1.00 0.00 N ATOM 1737 CZ ARG A 114 16.424 4.351 -10.955 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.200 3.514 -11.630 1.00 0.00 N ATOM 1739 NH2 ARG A 114 16.352 5.624 -11.322 1.00 0.00 N ATOM 0 H ARG A 114 10.920 2.764 -8.916 1.00 0.00 H new ATOM 0 HA ARG A 114 12.585 1.202 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.119 2.097 -9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.272 3.689 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.138 2.967 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.909 1.295 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.761 2.261 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.441 1.872 -10.256 1.00 0.00 H new ATOM 0 HE ARG A 114 15.134 4.586 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 114 17.258 2.535 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 114 17.739 3.850 -12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 114 15.756 6.271 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 114 16.892 5.956 -12.121 1.00 0.00 H new ATOM 1753 N THR A 115 13.147 2.609 -5.241 1.00 0.00 N ATOM 1754 CA THR A 115 13.366 3.376 -4.021 1.00 0.00 C ATOM 1755 C THR A 115 14.422 4.454 -4.232 1.00 0.00 C ATOM 1756 O THR A 115 15.345 4.305 -5.034 1.00 0.00 O ATOM 1757 CB THR A 115 13.802 2.467 -2.856 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.852 1.593 -3.284 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.629 1.646 -2.343 1.00 0.00 C ATOM 0 H THR A 115 13.488 1.649 -5.202 1.00 0.00 H new ATOM 0 HA THR A 115 12.416 3.846 -3.769 1.00 0.00 H new ATOM 0 HB THR A 115 14.164 3.100 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.898 0.819 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.961 1.012 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.843 2.314 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.241 1.022 -3.149 1.00 0.00 H new ATOM 1767 N PRO A 116 14.288 5.567 -3.496 1.00 0.00 N ATOM 1768 CA PRO A 116 15.224 6.692 -3.585 1.00 0.00 C ATOM 1769 C PRO A 116 16.593 6.355 -3.003 1.00 0.00 C ATOM 1770 O PRO A 116 16.923 5.186 -2.803 1.00 0.00 O ATOM 1771 CB PRO A 116 14.545 7.785 -2.755 1.00 0.00 C ATOM 1772 CG PRO A 116 13.676 7.047 -1.796 1.00 0.00 C ATOM 1773 CD PRO A 116 13.213 5.813 -2.521 1.00 0.00 C ATOM 0 HA PRO A 116 15.417 6.980 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.279 8.399 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 116 13.960 8.455 -3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.227 6.785 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.829 7.659 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.087 4.971 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.253 5.972 -3.013 1.00 0.00 H new ATOM 1781 N LYS A 117 17.386 7.386 -2.734 1.00 0.00 N ATOM 1782 CA LYS A 117 18.719 7.201 -2.173 1.00 0.00 C ATOM 1783 C LYS A 117 19.038 8.291 -1.155 1.00 0.00 C ATOM 1784 O LYS A 117 18.594 9.430 -1.292 1.00 0.00 O ATOM 1785 CB LYS A 117 19.768 7.206 -3.287 1.00 0.00 C ATOM 1786 CG LYS A 117 19.654 6.025 -4.235 1.00 0.00 C ATOM 1787 CD LYS A 117 20.547 4.874 -3.803 1.00 0.00 C ATOM 1788 CE LYS A 117 20.021 4.203 -2.543 1.00 0.00 C ATOM 1789 NZ LYS A 117 20.535 4.860 -1.309 1.00 0.00 N ATOM 0 H LYS A 117 17.128 8.360 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 117 18.741 6.237 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.675 8.130 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.762 7.207 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.618 5.688 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 117 19.926 6.339 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.612 4.141 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.557 5.243 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 117 18.931 4.233 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 117 20.311 3.152 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.985 4.148 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.234 5.586 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 19.746 5.305 -0.798 1.00 0.00 H new ATOM 1803 N ALA A 118 19.810 7.933 -0.134 1.00 0.00 N ATOM 1804 CA ALA A 118 20.191 8.882 0.905 1.00 0.00 C ATOM 1805 C ALA A 118 21.215 9.885 0.384 1.00 0.00 C ATOM 1806 O ALA A 118 22.407 9.775 0.670 1.00 0.00 O ATOM 1807 CB ALA A 118 20.741 8.145 2.117 1.00 0.00 C ATOM 0 H ALA A 118 20.184 6.993 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 118 19.300 9.434 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.021 8.866 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 118 19.979 7.473 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.618 7.567 1.824 1.00 0.00 H new