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 -14:sc= 0.227 USER MOD Set 1.2: A 97 GLN : amide:sc= -1.43! C(o=-1.9!,f=-6!) USER MOD Set 1.3: A 107 MET CE :methyl -158:sc= -0.687 (180deg=-0.597) USER MOD Set 2.1: A 93 TYR OH : rot -135:sc= 1.19 USER MOD Set 2.2: A 112 GLN : amide:sc= -1.31! C(o=-0.12!,f=-3.5!) USER MOD Set 3.1: A 87 THR OG1 : rot 82:sc= 1.19 USER MOD Set 3.2: A 92 TYR OH : rot 180:sc= 0.995 USER MOD Set 4.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 82 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 19 THR OG1 : rot -53:sc= 1.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.021 (180deg=-0.238) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 29 SER OG : rot 180:sc= -0.229 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -1.31 (180deg=-1.51) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0732 USER MOD Single : A 40 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.21 F(o=-1.1,f=-0.21) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00777) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -171:sc= -0.487 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.017) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -5.35! C(o=-7.2!,f=-5.4!) USER MOD Single : A 77 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= 0.189 K(o=0.19,f=-0.82) USER MOD Single : A 84 GLN : amide:sc= -0.662 K(o=-0.66,f=-6.1!) USER MOD Single : A 90 THR OG1 : rot 68:sc= 0.488 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.02 K(o=-1,f=-11!) 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 -90:sc= -0.609! USER MOD Single : A 115 THR OG1 : rot -160:sc= 0.304 USER MOD Single : A 117 LYS NZ :NH3+ -118:sc= -1.81 (180deg=-4.15) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -22.762 -4.635 -4.070 1.00 0.00 N ATOM 179 CA LEU A 16 -21.847 -5.359 -4.945 1.00 0.00 C ATOM 180 C LEU A 16 -20.410 -4.892 -4.737 1.00 0.00 C ATOM 181 O LEU A 16 -20.085 -3.727 -4.965 1.00 0.00 O ATOM 182 CB LEU A 16 -22.250 -5.167 -6.408 1.00 0.00 C ATOM 183 CG LEU A 16 -23.715 -5.447 -6.743 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.154 -4.629 -7.947 1.00 0.00 C ATOM 185 CD2 LEU A 16 -23.929 -6.932 -6.998 1.00 0.00 C ATOM 0 HA LEU A 16 -21.906 -6.418 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.022 -4.140 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.627 -5.816 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.325 -5.153 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.199 -4.842 -8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.039 -3.568 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.539 -4.890 -8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -24.977 -7.113 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.308 -7.251 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -23.656 -7.497 -6.107 1.00 0.00 H new ATOM 197 N VAL A 17 -19.551 -5.810 -4.303 1.00 0.00 N ATOM 198 CA VAL A 17 -18.148 -5.493 -4.067 1.00 0.00 C ATOM 199 C VAL A 17 -17.483 -4.967 -5.333 1.00 0.00 C ATOM 200 O VAL A 17 -17.861 -5.312 -6.453 1.00 0.00 O ATOM 201 CB VAL A 17 -17.371 -6.726 -3.566 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.807 -7.096 -2.157 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.562 -7.897 -4.517 1.00 0.00 C ATOM 0 H VAL A 17 -19.803 -6.779 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.123 -4.720 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.310 -6.479 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.247 -7.969 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.614 -6.260 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.873 -7.325 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.007 -8.759 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.621 -8.147 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.195 -7.625 -5.507 1.00 0.00 H new ATOM 213 N PRO A 18 -16.467 -4.109 -5.155 1.00 0.00 N ATOM 214 CA PRO A 18 -15.726 -3.517 -6.273 1.00 0.00 C ATOM 215 C PRO A 18 -14.863 -4.540 -7.004 1.00 0.00 C ATOM 216 O PRO A 18 -13.784 -4.905 -6.537 1.00 0.00 O ATOM 217 CB PRO A 18 -14.846 -2.462 -5.596 1.00 0.00 C ATOM 218 CG PRO A 18 -14.681 -2.948 -4.197 1.00 0.00 C ATOM 219 CD PRO A 18 -15.962 -3.653 -3.849 1.00 0.00 C ATOM 0 HA PRO A 18 -16.393 -3.112 -7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.883 -2.368 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.316 -1.479 -5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.830 -3.624 -4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.495 -2.118 -3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.789 -4.489 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.668 -2.984 -3.357 1.00 0.00 H new ATOM 227 N THR A 19 -15.345 -5.000 -8.154 1.00 0.00 N ATOM 228 CA THR A 19 -14.619 -5.982 -8.949 1.00 0.00 C ATOM 229 C THR A 19 -13.626 -5.304 -9.886 1.00 0.00 C ATOM 230 O THR A 19 -13.230 -5.873 -10.903 1.00 0.00 O ATOM 231 CB THR A 19 -15.579 -6.853 -9.781 1.00 0.00 C ATOM 232 OG1 THR A 19 -14.837 -7.822 -10.530 1.00 0.00 O ATOM 233 CG2 THR A 19 -16.405 -5.995 -10.728 1.00 0.00 C ATOM 0 H THR A 19 -16.236 -4.708 -8.556 1.00 0.00 H new ATOM 0 HA THR A 19 -14.078 -6.618 -8.248 1.00 0.00 H new ATOM 0 HB THR A 19 -16.256 -7.365 -9.097 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.138 -7.370 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.075 -6.632 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.991 -5.279 -10.152 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.741 -5.459 -11.406 1.00 0.00 H new ATOM 241 N SER A 20 -13.226 -4.085 -9.536 1.00 0.00 N ATOM 242 CA SER A 20 -12.280 -3.329 -10.348 1.00 0.00 C ATOM 243 C SER A 20 -11.259 -2.614 -9.468 1.00 0.00 C ATOM 244 O SER A 20 -11.570 -2.130 -8.380 1.00 0.00 O ATOM 245 CB SER A 20 -13.022 -2.311 -11.217 1.00 0.00 C ATOM 246 OG SER A 20 -13.610 -1.295 -10.423 1.00 0.00 O ATOM 0 H SER A 20 -13.542 -3.601 -8.696 1.00 0.00 H new ATOM 0 HA SER A 20 -11.751 -4.030 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.330 -1.864 -11.931 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.794 -2.817 -11.796 1.00 0.00 H new ATOM 0 HG SER A 20 -14.076 -0.656 -11.002 1.00 0.00 H new ATOM 252 N PRO A 21 -10.009 -2.546 -9.950 1.00 0.00 N ATOM 253 CA PRO A 21 -8.915 -1.893 -9.225 1.00 0.00 C ATOM 254 C PRO A 21 -9.080 -0.378 -9.169 1.00 0.00 C ATOM 255 O PRO A 21 -9.825 0.218 -9.946 1.00 0.00 O ATOM 256 CB PRO A 21 -7.675 -2.266 -10.041 1.00 0.00 C ATOM 257 CG PRO A 21 -8.190 -2.523 -11.415 1.00 0.00 C ATOM 258 CD PRO A 21 -9.567 -3.102 -11.240 1.00 0.00 C ATOM 0 HA PRO A 21 -8.868 -2.213 -8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.941 -1.460 -10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.182 -3.148 -9.632 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.225 -1.602 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.541 -3.215 -11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.232 -2.810 -12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.546 -4.192 -11.222 1.00 0.00 H new ATOM 266 N PRO A 22 -8.370 0.261 -8.227 1.00 0.00 N ATOM 267 CA PRO A 22 -8.420 1.715 -8.048 1.00 0.00 C ATOM 268 C PRO A 22 -7.756 2.464 -9.198 1.00 0.00 C ATOM 269 O PRO A 22 -7.240 1.854 -10.135 1.00 0.00 O ATOM 270 CB PRO A 22 -7.647 1.939 -6.746 1.00 0.00 C ATOM 271 CG PRO A 22 -6.729 0.770 -6.645 1.00 0.00 C ATOM 272 CD PRO A 22 -7.462 -0.387 -7.266 1.00 0.00 C ATOM 0 HA PRO A 22 -9.444 2.087 -8.021 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.092 2.877 -6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.320 1.989 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.792 0.964 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.478 0.560 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.778 -1.077 -7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.010 -0.962 -6.520 1.00 0.00 H new ATOM 280 N LYS A 23 -7.770 3.790 -9.121 1.00 0.00 N ATOM 281 CA LYS A 23 -7.167 4.624 -10.154 1.00 0.00 C ATOM 282 C LYS A 23 -6.255 5.680 -9.537 1.00 0.00 C ATOM 283 O LYS A 23 -6.130 5.769 -8.316 1.00 0.00 O ATOM 284 CB LYS A 23 -8.255 5.301 -10.991 1.00 0.00 C ATOM 285 CG LYS A 23 -9.405 4.378 -11.355 1.00 0.00 C ATOM 286 CD LYS A 23 -10.317 5.007 -12.395 1.00 0.00 C ATOM 287 CE LYS A 23 -9.725 4.904 -13.792 1.00 0.00 C ATOM 288 NZ LYS A 23 -9.727 3.501 -14.293 1.00 0.00 N ATOM 0 H LYS A 23 -8.193 4.311 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.567 3.983 -10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.647 6.156 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.808 5.690 -11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.010 3.437 -11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.981 4.142 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.289 4.514 -12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.485 6.055 -12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.294 5.534 -14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.704 5.285 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.611 3.501 -15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.943 2.975 -13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.629 3.046 -14.046 1.00 0.00 H new ATOM 302 N ASP A 24 -5.621 6.478 -10.390 1.00 0.00 N ATOM 303 CA ASP A 24 -4.722 7.529 -9.928 1.00 0.00 C ATOM 304 C ASP A 24 -3.665 6.965 -8.984 1.00 0.00 C ATOM 305 O ASP A 24 -3.243 7.630 -8.039 1.00 0.00 O ATOM 306 CB ASP A 24 -5.513 8.634 -9.226 1.00 0.00 C ATOM 307 CG ASP A 24 -4.826 9.983 -9.314 1.00 0.00 C ATOM 308 OD1 ASP A 24 -4.999 10.671 -10.342 1.00 0.00 O ATOM 309 OD2 ASP A 24 -4.117 10.351 -8.355 1.00 0.00 O ATOM 0 H ASP A 24 -5.713 6.417 -11.404 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.218 7.950 -10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.505 8.705 -9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.652 8.368 -8.178 1.00 0.00 H new ATOM 314 N VAL A 25 -3.242 5.732 -9.246 1.00 0.00 N ATOM 315 CA VAL A 25 -2.234 5.077 -8.421 1.00 0.00 C ATOM 316 C VAL A 25 -0.852 5.671 -8.667 1.00 0.00 C ATOM 317 O VAL A 25 -0.319 5.595 -9.775 1.00 0.00 O ATOM 318 CB VAL A 25 -2.185 3.562 -8.690 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.997 2.931 -7.980 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.487 2.902 -8.259 1.00 0.00 C ATOM 0 H VAL A 25 -3.582 5.167 -10.024 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.519 5.244 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.062 3.405 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.979 1.860 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.074 3.384 -8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.085 3.096 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.435 1.831 -8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.643 3.067 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.317 3.334 -8.819 1.00 0.00 H new ATOM 330 N THR A 26 -0.273 6.263 -7.626 1.00 0.00 N ATOM 331 CA THR A 26 1.047 6.870 -7.729 1.00 0.00 C ATOM 332 C THR A 26 1.904 6.532 -6.514 1.00 0.00 C ATOM 333 O THR A 26 1.395 6.396 -5.401 1.00 0.00 O ATOM 334 CB THR A 26 0.952 8.401 -7.865 1.00 0.00 C ATOM 335 OG1 THR A 26 0.105 8.933 -6.840 1.00 0.00 O ATOM 336 CG2 THR A 26 0.409 8.790 -9.232 1.00 0.00 C ATOM 0 H THR A 26 -0.699 6.334 -6.702 1.00 0.00 H new ATOM 0 HA THR A 26 1.514 6.461 -8.625 1.00 0.00 H new ATOM 0 HB THR A 26 1.954 8.816 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.051 9.907 -6.933 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.351 9.876 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.072 8.409 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.586 8.364 -9.363 1.00 0.00 H new ATOM 344 N VAL A 27 3.208 6.397 -6.734 1.00 0.00 N ATOM 345 CA VAL A 27 4.136 6.077 -5.657 1.00 0.00 C ATOM 346 C VAL A 27 5.325 7.032 -5.652 1.00 0.00 C ATOM 347 O VAL A 27 6.180 6.980 -6.537 1.00 0.00 O ATOM 348 CB VAL A 27 4.654 4.631 -5.774 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.600 4.308 -4.627 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.492 3.650 -5.809 1.00 0.00 C ATOM 0 H VAL A 27 3.645 6.504 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 27 3.585 6.184 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 27 5.208 4.537 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.956 3.282 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.449 4.991 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.074 4.419 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.876 2.633 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.909 3.744 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.857 3.869 -6.667 1.00 0.00 H new ATOM 360 N VAL A 28 5.372 7.904 -4.650 1.00 0.00 N ATOM 361 CA VAL A 28 6.457 8.870 -4.529 1.00 0.00 C ATOM 362 C VAL A 28 7.229 8.670 -3.230 1.00 0.00 C ATOM 363 O VAL A 28 6.810 7.910 -2.357 1.00 0.00 O ATOM 364 CB VAL A 28 5.929 10.316 -4.582 1.00 0.00 C ATOM 365 CG1 VAL A 28 5.151 10.554 -5.867 1.00 0.00 C ATOM 366 CG2 VAL A 28 5.066 10.613 -3.365 1.00 0.00 C ATOM 0 H VAL A 28 4.672 7.961 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 28 7.125 8.703 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 28 6.781 10.996 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.786 11.581 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.803 10.384 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.306 9.867 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.702 11.639 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.219 9.928 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.658 10.486 -2.459 1.00 0.00 H new ATOM 376 N SER A 29 8.360 9.358 -3.108 1.00 0.00 N ATOM 377 CA SER A 29 9.193 9.254 -1.916 1.00 0.00 C ATOM 378 C SER A 29 8.864 10.365 -0.923 1.00 0.00 C ATOM 379 O SER A 29 8.171 11.326 -1.257 1.00 0.00 O ATOM 380 CB SER A 29 10.674 9.317 -2.296 1.00 0.00 C ATOM 381 OG SER A 29 11.053 8.185 -3.060 1.00 0.00 O ATOM 0 H SER A 29 8.720 9.993 -3.820 1.00 0.00 H new ATOM 0 HA SER A 29 8.987 8.294 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.868 10.226 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.282 9.371 -1.393 1.00 0.00 H new ATOM 0 HG SER A 29 12.003 8.250 -3.292 1.00 0.00 H new ATOM 387 N LYS A 30 9.365 10.225 0.299 1.00 0.00 N ATOM 388 CA LYS A 30 9.126 11.215 1.342 1.00 0.00 C ATOM 389 C LYS A 30 10.230 12.268 1.356 1.00 0.00 C ATOM 390 O LYS A 30 11.374 11.984 1.004 1.00 0.00 O ATOM 391 CB LYS A 30 9.039 10.535 2.710 1.00 0.00 C ATOM 392 CG LYS A 30 9.042 11.509 3.876 1.00 0.00 C ATOM 393 CD LYS A 30 8.294 10.947 5.074 1.00 0.00 C ATOM 394 CE LYS A 30 7.711 12.056 5.936 1.00 0.00 C ATOM 395 NZ LYS A 30 6.988 11.515 7.120 1.00 0.00 N ATOM 0 H LYS A 30 9.940 9.435 0.592 1.00 0.00 H new ATOM 0 HA LYS A 30 8.178 11.709 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.130 9.935 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.879 9.849 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.070 11.734 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.584 12.449 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.493 10.293 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.970 10.336 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.512 12.716 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.028 12.660 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.605 12.302 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.208 10.905 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.645 10.960 7.704 1.00 0.00 H new ATOM 409 N GLU A 31 9.878 13.483 1.765 1.00 0.00 N ATOM 410 CA GLU A 31 10.840 14.577 1.824 1.00 0.00 C ATOM 411 C GLU A 31 11.689 14.487 3.088 1.00 0.00 C ATOM 412 O GLU A 31 11.213 14.756 4.190 1.00 0.00 O ATOM 413 CB GLU A 31 10.117 15.925 1.778 1.00 0.00 C ATOM 414 CG GLU A 31 11.053 17.113 1.635 1.00 0.00 C ATOM 415 CD GLU A 31 10.344 18.358 1.138 1.00 0.00 C ATOM 416 OE1 GLU A 31 9.701 19.044 1.960 1.00 0.00 O ATOM 417 OE2 GLU A 31 10.432 18.646 -0.074 1.00 0.00 O ATOM 0 H GLU A 31 8.934 13.734 2.060 1.00 0.00 H new ATOM 0 HA GLU A 31 11.497 14.495 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.416 15.923 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.529 16.044 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.516 17.324 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.856 16.857 0.944 1.00 0.00 H new ATOM 424 N GLY A 32 12.952 14.105 2.920 1.00 0.00 N ATOM 425 CA GLY A 32 13.848 13.984 4.055 1.00 0.00 C ATOM 426 C GLY A 32 14.322 12.561 4.271 1.00 0.00 C ATOM 427 O GLY A 32 15.513 12.317 4.468 1.00 0.00 O ATOM 0 H GLY A 32 13.370 13.877 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.711 14.632 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.340 14.335 4.954 1.00 0.00 H new ATOM 431 N LYS A 33 13.388 11.616 4.237 1.00 0.00 N ATOM 432 CA LYS A 33 13.715 10.209 4.431 1.00 0.00 C ATOM 433 C LYS A 33 13.450 9.408 3.160 1.00 0.00 C ATOM 434 O LYS A 33 12.340 9.395 2.626 1.00 0.00 O ATOM 435 CB LYS A 33 12.901 9.630 5.590 1.00 0.00 C ATOM 436 CG LYS A 33 13.698 8.702 6.490 1.00 0.00 C ATOM 437 CD LYS A 33 13.897 7.338 5.849 1.00 0.00 C ATOM 438 CE LYS A 33 15.014 6.561 6.528 1.00 0.00 C ATOM 439 NZ LYS A 33 16.356 7.111 6.190 1.00 0.00 N ATOM 0 H LYS A 33 12.398 11.800 4.077 1.00 0.00 H new ATOM 0 HA LYS A 33 14.776 10.138 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.503 10.450 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.047 9.086 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.669 9.148 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.181 8.585 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.969 6.769 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.130 7.462 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.871 6.589 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.964 5.515 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.066 6.720 6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.602 6.850 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.339 8.147 6.278 1.00 0.00 H new ATOM 453 N PRO A 34 14.490 8.724 2.662 1.00 0.00 N ATOM 454 CA PRO A 34 14.393 7.906 1.449 1.00 0.00 C ATOM 455 C PRO A 34 13.545 6.656 1.658 1.00 0.00 C ATOM 456 O PRO A 34 12.684 6.333 0.840 1.00 0.00 O ATOM 457 CB PRO A 34 15.847 7.524 1.162 1.00 0.00 C ATOM 458 CG PRO A 34 16.526 7.591 2.486 1.00 0.00 C ATOM 459 CD PRO A 34 15.842 8.694 3.246 1.00 0.00 C ATOM 0 HA PRO A 34 13.910 8.443 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.916 6.525 0.732 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.303 8.210 0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.443 6.642 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.590 7.799 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.813 8.487 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.355 9.647 3.120 1.00 0.00 H new ATOM 467 N LYS A 35 13.793 5.956 2.760 1.00 0.00 N ATOM 468 CA LYS A 35 13.052 4.742 3.079 1.00 0.00 C ATOM 469 C LYS A 35 11.551 5.011 3.098 1.00 0.00 C ATOM 470 O LYS A 35 10.761 4.224 2.574 1.00 0.00 O ATOM 471 CB LYS A 35 13.499 4.188 4.434 1.00 0.00 C ATOM 472 CG LYS A 35 14.947 3.732 4.457 1.00 0.00 C ATOM 473 CD LYS A 35 15.215 2.783 5.613 1.00 0.00 C ATOM 474 CE LYS A 35 16.686 2.780 6.002 1.00 0.00 C ATOM 475 NZ LYS A 35 17.490 1.884 5.126 1.00 0.00 N ATOM 0 H LYS A 35 14.502 6.209 3.448 1.00 0.00 H new ATOM 0 HA LYS A 35 13.262 4.004 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.356 4.955 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.858 3.348 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.189 3.238 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.601 4.600 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.611 3.075 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.909 1.774 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.079 3.795 5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.787 2.460 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.486 1.910 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.131 0.911 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.415 2.204 4.139 1.00 0.00 H new ATOM 489 N THR A 36 11.161 6.129 3.704 1.00 0.00 N ATOM 490 CA THR A 36 9.755 6.501 3.791 1.00 0.00 C ATOM 491 C THR A 36 9.217 6.937 2.432 1.00 0.00 C ATOM 492 O THR A 36 9.817 7.772 1.756 1.00 0.00 O ATOM 493 CB THR A 36 9.537 7.639 4.806 1.00 0.00 C ATOM 494 OG1 THR A 36 10.356 7.428 5.961 1.00 0.00 O ATOM 495 CG2 THR A 36 8.076 7.720 5.221 1.00 0.00 C ATOM 0 H THR A 36 11.800 6.792 4.142 1.00 0.00 H new ATOM 0 HA THR A 36 9.214 5.616 4.127 1.00 0.00 H new ATOM 0 HB THR A 36 9.816 8.580 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.213 8.156 6.601 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.946 8.531 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.458 7.909 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.775 6.778 5.680 1.00 0.00 H new ATOM 503 N ILE A 37 8.083 6.366 2.040 1.00 0.00 N ATOM 504 CA ILE A 37 7.464 6.698 0.763 1.00 0.00 C ATOM 505 C ILE A 37 5.959 6.893 0.916 1.00 0.00 C ATOM 506 O ILE A 37 5.357 6.425 1.883 1.00 0.00 O ATOM 507 CB ILE A 37 7.724 5.604 -0.290 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.131 4.271 0.171 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.216 5.464 -0.551 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.730 3.362 -0.969 1.00 0.00 C ATOM 0 H ILE A 37 7.575 5.672 2.588 1.00 0.00 H new ATOM 0 HA ILE A 37 7.917 7.630 0.426 1.00 0.00 H new ATOM 0 HB ILE A 37 7.238 5.894 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.859 3.756 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.258 4.467 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.384 4.687 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.612 6.411 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.723 5.193 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.318 2.436 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.978 3.858 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.605 3.136 -1.579 1.00 0.00 H new ATOM 522 N ILE A 38 5.357 7.585 -0.046 1.00 0.00 N ATOM 523 CA ILE A 38 3.922 7.840 -0.019 1.00 0.00 C ATOM 524 C ILE A 38 3.243 7.286 -1.267 1.00 0.00 C ATOM 525 O ILE A 38 3.663 7.562 -2.391 1.00 0.00 O ATOM 526 CB ILE A 38 3.619 9.346 0.091 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.281 9.931 1.340 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.117 9.583 0.120 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.724 10.333 1.127 1.00 0.00 C ATOM 0 H ILE A 38 5.841 7.979 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 38 3.528 7.334 0.862 1.00 0.00 H new ATOM 0 HB ILE A 38 4.029 9.850 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.714 10.802 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.232 9.198 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.919 10.652 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.670 9.197 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.684 9.070 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.129 10.739 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.305 9.460 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.779 11.090 0.344 1.00 0.00 H new ATOM 541 N VAL A 39 2.188 6.504 -1.062 1.00 0.00 N ATOM 542 CA VAL A 39 1.447 5.913 -2.170 1.00 0.00 C ATOM 543 C VAL A 39 0.017 6.440 -2.218 1.00 0.00 C ATOM 544 O VAL A 39 -0.839 6.013 -1.445 1.00 0.00 O ATOM 545 CB VAL A 39 1.413 4.376 -2.067 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.501 3.789 -3.133 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.818 3.804 -2.180 1.00 0.00 C ATOM 0 H VAL A 39 1.827 6.265 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 39 1.967 6.197 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 39 1.012 4.103 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.490 2.703 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.510 4.174 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.868 4.069 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.776 2.717 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.249 4.085 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.438 4.199 -1.375 1.00 0.00 H new ATOM 557 N ASN A 40 -0.234 7.371 -3.133 1.00 0.00 N ATOM 558 CA ASN A 40 -1.561 7.957 -3.283 1.00 0.00 C ATOM 559 C ASN A 40 -2.378 7.195 -4.322 1.00 0.00 C ATOM 560 O ASN A 40 -1.823 6.542 -5.206 1.00 0.00 O ATOM 561 CB ASN A 40 -1.449 9.429 -3.686 1.00 0.00 C ATOM 562 CG ASN A 40 -0.452 10.188 -2.830 1.00 0.00 C ATOM 563 OD1 ASN A 40 -0.824 10.835 -1.851 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.821 10.112 -3.198 1.00 0.00 N ATOM 0 H ASN A 40 0.464 7.736 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.072 7.888 -2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.150 9.495 -4.732 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.428 9.901 -3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.537 10.602 -2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.083 9.563 -4.017 1.00 0.00 H new ATOM 571 N TRP A 41 -3.698 7.283 -4.209 1.00 0.00 N ATOM 572 CA TRP A 41 -4.592 6.603 -5.138 1.00 0.00 C ATOM 573 C TRP A 41 -6.020 7.119 -4.998 1.00 0.00 C ATOM 574 O TRP A 41 -6.282 8.041 -4.225 1.00 0.00 O ATOM 575 CB TRP A 41 -4.558 5.093 -4.898 1.00 0.00 C ATOM 576 CG TRP A 41 -5.205 4.681 -3.611 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.538 4.489 -3.388 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.546 4.413 -2.368 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.748 4.117 -2.082 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.542 4.062 -1.436 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.212 4.432 -1.953 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.244 3.737 -0.115 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.917 4.109 -0.642 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.929 3.764 0.264 1.00 0.00 C ATOM 0 H TRP A 41 -4.173 7.819 -3.483 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.248 6.812 -6.151 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.058 4.590 -5.725 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.522 4.755 -4.900 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.314 4.612 -4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.655 3.915 -1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.425 4.695 -2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.023 3.473 0.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.889 4.123 -0.310 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.666 3.514 1.281 1.00 0.00 H new ATOM 595 N GLN A 42 -6.938 6.520 -5.749 1.00 0.00 N ATOM 596 CA GLN A 42 -8.339 6.922 -5.708 1.00 0.00 C ATOM 597 C GLN A 42 -9.255 5.729 -5.957 1.00 0.00 C ATOM 598 O GLN A 42 -8.851 4.712 -6.522 1.00 0.00 O ATOM 599 CB GLN A 42 -8.610 8.014 -6.744 1.00 0.00 C ATOM 600 CG GLN A 42 -8.364 9.421 -6.225 1.00 0.00 C ATOM 601 CD GLN A 42 -9.187 10.465 -6.953 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.258 10.469 -8.183 1.00 0.00 O ATOM 603 NE2 GLN A 42 -9.816 11.357 -6.197 1.00 0.00 N ATOM 0 H GLN A 42 -6.737 5.755 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.548 7.316 -4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.978 7.842 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.644 7.936 -7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.597 9.457 -5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.306 9.662 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.729 11.316 -5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.386 12.083 -6.632 1.00 0.00 H new ATOM 612 N PRO A 43 -10.520 5.853 -5.528 1.00 0.00 N ATOM 613 CA PRO A 43 -11.520 4.794 -5.694 1.00 0.00 C ATOM 614 C PRO A 43 -11.930 4.607 -7.151 1.00 0.00 C ATOM 615 O PRO A 43 -11.925 5.546 -7.947 1.00 0.00 O ATOM 616 CB PRO A 43 -12.706 5.292 -4.865 1.00 0.00 C ATOM 617 CG PRO A 43 -12.552 6.774 -4.836 1.00 0.00 C ATOM 618 CD PRO A 43 -11.071 7.036 -4.847 1.00 0.00 C ATOM 0 HA PRO A 43 -11.140 3.822 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.655 5.001 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.690 4.872 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.036 7.234 -5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.017 7.197 -3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.830 7.955 -5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.674 7.140 -3.837 1.00 0.00 H new ATOM 626 N PRO A 44 -12.294 3.367 -7.510 1.00 0.00 N ATOM 627 CA PRO A 44 -12.714 3.028 -8.873 1.00 0.00 C ATOM 628 C PRO A 44 -14.067 3.635 -9.229 1.00 0.00 C ATOM 629 O PRO A 44 -14.923 3.819 -8.363 1.00 0.00 O ATOM 630 CB PRO A 44 -12.803 1.501 -8.847 1.00 0.00 C ATOM 631 CG PRO A 44 -13.050 1.159 -7.419 1.00 0.00 C ATOM 632 CD PRO A 44 -12.324 2.200 -6.612 1.00 0.00 C ATOM 0 HA PRO A 44 -12.023 3.415 -9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.610 1.141 -9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.882 1.045 -9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.117 1.166 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.682 0.159 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.845 2.423 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.319 1.873 -6.344 1.00 0.00 H new ATOM 640 N SER A 45 -14.254 3.942 -10.509 1.00 0.00 N ATOM 641 CA SER A 45 -15.503 4.531 -10.979 1.00 0.00 C ATOM 642 C SER A 45 -16.698 3.682 -10.554 1.00 0.00 C ATOM 643 O SER A 45 -17.645 4.183 -9.950 1.00 0.00 O ATOM 644 CB SER A 45 -15.481 4.676 -12.502 1.00 0.00 C ATOM 645 OG SER A 45 -16.474 5.586 -12.941 1.00 0.00 O ATOM 0 H SER A 45 -13.557 3.793 -11.239 1.00 0.00 H new ATOM 0 HA SER A 45 -15.603 5.518 -10.529 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.499 5.022 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.644 3.703 -12.966 1.00 0.00 H new ATOM 0 HG SER A 45 -16.439 5.663 -13.917 1.00 0.00 H new ATOM 651 N GLU A 46 -16.644 2.393 -10.876 1.00 0.00 N ATOM 652 CA GLU A 46 -17.722 1.474 -10.529 1.00 0.00 C ATOM 653 C GLU A 46 -18.325 1.830 -9.173 1.00 0.00 C ATOM 654 O GLU A 46 -19.535 2.018 -9.051 1.00 0.00 O ATOM 655 CB GLU A 46 -17.206 0.033 -10.508 1.00 0.00 C ATOM 656 CG GLU A 46 -16.912 -0.528 -11.888 1.00 0.00 C ATOM 657 CD GLU A 46 -18.171 -0.795 -12.690 1.00 0.00 C ATOM 658 OE1 GLU A 46 -19.097 -1.431 -12.145 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.230 -0.368 -13.863 1.00 0.00 O ATOM 0 H GLU A 46 -15.866 1.962 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.500 1.563 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.298 -0.010 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.944 -0.601 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.280 0.173 -12.434 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.347 -1.455 -11.787 1.00 0.00 H new ATOM 666 N ALA A 47 -17.472 1.921 -8.158 1.00 0.00 N ATOM 667 CA ALA A 47 -17.919 2.255 -6.812 1.00 0.00 C ATOM 668 C ALA A 47 -19.302 1.675 -6.533 1.00 0.00 C ATOM 669 O ALA A 47 -20.212 2.389 -6.114 1.00 0.00 O ATOM 670 CB ALA A 47 -17.929 3.765 -6.619 1.00 0.00 C ATOM 0 H ALA A 47 -16.467 1.768 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.219 1.813 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.265 4.001 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.923 4.157 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.606 4.220 -7.342 1.00 0.00 H new ATOM 676 N ASN A 48 -19.451 0.376 -6.768 1.00 0.00 N ATOM 677 CA ASN A 48 -20.724 -0.300 -6.543 1.00 0.00 C ATOM 678 C ASN A 48 -20.962 -0.529 -5.053 1.00 0.00 C ATOM 679 O ASN A 48 -21.303 -1.633 -4.631 1.00 0.00 O ATOM 680 CB ASN A 48 -20.754 -1.637 -7.287 1.00 0.00 C ATOM 681 CG ASN A 48 -20.127 -1.546 -8.665 1.00 0.00 C ATOM 682 OD1 ASN A 48 -19.136 -2.392 -8.920 1.00 0.00 O flip ATOM 683 ND2 ASN A 48 -20.529 -0.724 -9.489 1.00 0.00 N flip ATOM 0 H ASN A 48 -18.707 -0.230 -7.114 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.519 0.339 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.226 -2.388 -6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -21.786 -1.974 -7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -21.294 -0.093 -9.249 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -20.097 -0.674 -10.412 1.00 0.00 H new ATOM 690 N GLY A 49 -20.781 0.524 -4.262 1.00 0.00 N ATOM 691 CA GLY A 49 -20.981 0.417 -2.828 1.00 0.00 C ATOM 692 C GLY A 49 -20.192 1.454 -2.054 1.00 0.00 C ATOM 693 O GLY A 49 -19.368 2.171 -2.623 1.00 0.00 O ATOM 0 H GLY A 49 -20.500 1.449 -4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.042 0.529 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.688 -0.579 -2.497 1.00 0.00 H new ATOM 697 N LYS A 50 -20.445 1.537 -0.752 1.00 0.00 N ATOM 698 CA LYS A 50 -19.753 2.495 0.102 1.00 0.00 C ATOM 699 C LYS A 50 -18.420 1.929 0.585 1.00 0.00 C ATOM 700 O LYS A 50 -18.385 0.968 1.353 1.00 0.00 O ATOM 701 CB LYS A 50 -20.627 2.863 1.303 1.00 0.00 C ATOM 702 CG LYS A 50 -20.052 3.982 2.154 1.00 0.00 C ATOM 703 CD LYS A 50 -20.914 4.253 3.376 1.00 0.00 C ATOM 704 CE LYS A 50 -20.171 5.088 4.407 1.00 0.00 C ATOM 705 NZ LYS A 50 -19.195 4.273 5.182 1.00 0.00 N ATOM 0 H LYS A 50 -21.124 0.952 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.556 3.392 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.613 3.159 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.765 1.979 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.043 3.718 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.971 4.890 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.824 4.772 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.220 3.308 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.647 5.902 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.888 5.543 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.746 4.867 5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.690 3.481 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.466 3.901 4.540 1.00 0.00 H new ATOM 719 N ILE A 51 -17.328 2.533 0.129 1.00 0.00 N ATOM 720 CA ILE A 51 -15.994 2.090 0.517 1.00 0.00 C ATOM 721 C ILE A 51 -15.739 2.345 1.999 1.00 0.00 C ATOM 722 O ILE A 51 -16.137 3.377 2.540 1.00 0.00 O ATOM 723 CB ILE A 51 -14.904 2.799 -0.309 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.189 2.649 -1.805 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.532 2.237 0.033 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.133 1.218 -2.291 1.00 0.00 C ATOM 0 H ILE A 51 -17.340 3.329 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.948 1.019 0.322 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.913 3.860 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.175 3.059 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.467 3.243 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.772 2.748 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.330 2.390 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.510 1.170 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.345 1.188 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.139 0.810 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.874 0.623 -1.757 1.00 0.00 H new ATOM 738 N THR A 52 -15.071 1.398 2.650 1.00 0.00 N ATOM 739 CA THR A 52 -14.762 1.520 4.069 1.00 0.00 C ATOM 740 C THR A 52 -13.266 1.712 4.292 1.00 0.00 C ATOM 741 O THR A 52 -12.851 2.453 5.181 1.00 0.00 O ATOM 742 CB THR A 52 -15.232 0.281 4.855 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.640 -0.901 4.305 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.748 0.159 4.818 1.00 0.00 C ATOM 0 H THR A 52 -14.734 0.538 2.217 1.00 0.00 H new ATOM 0 HA THR A 52 -15.296 2.397 4.434 1.00 0.00 H new ATOM 0 HB THR A 52 -14.918 0.396 5.892 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.942 -1.684 4.811 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.056 -0.723 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.195 1.047 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.080 0.065 3.784 1.00 0.00 H new ATOM 752 N GLY A 53 -12.460 1.038 3.477 1.00 0.00 N ATOM 753 CA GLY A 53 -11.018 1.148 3.601 1.00 0.00 C ATOM 754 C GLY A 53 -10.290 0.634 2.375 1.00 0.00 C ATOM 755 O GLY A 53 -10.891 0.459 1.315 1.00 0.00 O ATOM 0 H GLY A 53 -12.780 0.418 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.749 2.191 3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.688 0.589 4.477 1.00 0.00 H new ATOM 759 N TYR A 54 -8.992 0.392 2.519 1.00 0.00 N ATOM 760 CA TYR A 54 -8.179 -0.101 1.414 1.00 0.00 C ATOM 761 C TYR A 54 -6.969 -0.873 1.929 1.00 0.00 C ATOM 762 O TYR A 54 -6.384 -0.521 2.955 1.00 0.00 O ATOM 763 CB TYR A 54 -7.719 1.062 0.533 1.00 0.00 C ATOM 764 CG TYR A 54 -8.828 2.024 0.172 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.281 2.967 1.086 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.421 1.990 -1.084 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.295 3.847 0.760 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.434 2.867 -1.419 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.868 3.794 -0.494 1.00 0.00 C ATOM 770 OH TYR A 54 -11.877 4.670 -0.822 1.00 0.00 O ATOM 0 H TYR A 54 -8.480 0.529 3.391 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.792 -0.778 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.930 1.608 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.283 0.663 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.833 3.013 2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.084 1.266 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.637 4.573 1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.884 2.827 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.268 4.411 -1.683 1.00 0.00 H new ATOM 780 N ILE A 55 -6.598 -1.928 1.211 1.00 0.00 N ATOM 781 CA ILE A 55 -5.456 -2.749 1.594 1.00 0.00 C ATOM 782 C ILE A 55 -4.315 -2.605 0.593 1.00 0.00 C ATOM 783 O ILE A 55 -4.536 -2.592 -0.618 1.00 0.00 O ATOM 784 CB ILE A 55 -5.844 -4.236 1.702 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.890 -4.434 2.802 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.612 -5.086 1.977 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.681 -5.715 2.659 1.00 0.00 C ATOM 0 H ILE A 55 -7.072 -2.234 0.361 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.126 -2.395 2.571 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.277 -4.553 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.391 -4.431 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.578 -3.589 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.902 -6.134 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.897 -4.964 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.153 -4.770 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.403 -5.789 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.208 -5.713 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.003 -6.568 2.697 1.00 0.00 H new ATOM 799 N ILE A 56 -3.094 -2.499 1.108 1.00 0.00 N ATOM 800 CA ILE A 56 -1.917 -2.359 0.259 1.00 0.00 C ATOM 801 C ILE A 56 -1.011 -3.580 0.369 1.00 0.00 C ATOM 802 O ILE A 56 -0.782 -4.099 1.462 1.00 0.00 O ATOM 803 CB ILE A 56 -1.109 -1.099 0.621 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.880 0.161 0.224 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.252 -1.130 -0.058 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.269 1.438 0.758 1.00 0.00 C ATOM 0 H ILE A 56 -2.894 -2.507 2.108 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.276 -2.268 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.955 -1.082 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.930 0.219 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.905 0.079 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.811 -0.233 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.803 -2.012 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.118 -1.168 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.868 2.290 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.244 1.402 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.254 1.544 0.375 1.00 0.00 H new ATOM 818 N TYR A 57 -0.497 -4.033 -0.768 1.00 0.00 N ATOM 819 CA TYR A 57 0.384 -5.194 -0.800 1.00 0.00 C ATOM 820 C TYR A 57 1.699 -4.861 -1.498 1.00 0.00 C ATOM 821 O TYR A 57 1.709 -4.382 -2.633 1.00 0.00 O ATOM 822 CB TYR A 57 -0.302 -6.362 -1.510 1.00 0.00 C ATOM 823 CG TYR A 57 -1.747 -6.551 -1.108 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.764 -5.860 -1.755 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.095 -7.419 -0.081 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.086 -6.028 -1.390 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.414 -7.595 0.289 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.406 -6.897 -0.368 1.00 0.00 C ATOM 829 OH TYR A 57 -5.721 -7.069 -0.001 1.00 0.00 O ATOM 0 H TYR A 57 -0.675 -3.614 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 57 0.602 -5.481 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.251 -6.202 -2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.248 -7.279 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.517 -5.180 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.321 -7.966 0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.864 -5.482 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.667 -8.275 1.088 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.266 -6.356 -0.394 1.00 0.00 H new ATOM 839 N TYR A 58 2.807 -5.119 -0.813 1.00 0.00 N ATOM 840 CA TYR A 58 4.129 -4.845 -1.365 1.00 0.00 C ATOM 841 C TYR A 58 5.111 -5.956 -1.004 1.00 0.00 C ATOM 842 O TYR A 58 5.057 -6.515 0.091 1.00 0.00 O ATOM 843 CB TYR A 58 4.651 -3.502 -0.852 1.00 0.00 C ATOM 844 CG TYR A 58 5.131 -3.546 0.581 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.305 -4.204 0.921 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.409 -2.927 1.594 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.747 -4.248 2.230 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.844 -2.963 2.905 1.00 0.00 C ATOM 849 CZ TYR A 58 6.013 -3.625 3.218 1.00 0.00 C ATOM 850 OH TYR A 58 6.450 -3.665 4.522 1.00 0.00 O ATOM 0 H TYR A 58 2.817 -5.518 0.126 1.00 0.00 H new ATOM 0 HA TYR A 58 4.039 -4.802 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.470 -3.172 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.860 -2.757 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.883 -4.690 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.493 -2.409 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.661 -4.767 2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.272 -2.475 3.680 1.00 0.00 H new ATOM 0 HH TYR A 58 5.820 -3.178 5.093 1.00 0.00 H new ATOM 860 N SER A 59 6.007 -6.270 -1.934 1.00 0.00 N ATOM 861 CA SER A 59 7.000 -7.315 -1.717 1.00 0.00 C ATOM 862 C SER A 59 8.133 -7.207 -2.732 1.00 0.00 C ATOM 863 O SER A 59 7.962 -6.647 -3.816 1.00 0.00 O ATOM 864 CB SER A 59 6.346 -8.696 -1.811 1.00 0.00 C ATOM 865 OG SER A 59 7.195 -9.699 -1.279 1.00 0.00 O ATOM 0 H SER A 59 6.066 -5.815 -2.845 1.00 0.00 H new ATOM 0 HA SER A 59 7.417 -7.185 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.400 -8.691 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.117 -8.923 -2.852 1.00 0.00 H new ATOM 0 HG SER A 59 6.754 -10.572 -1.349 1.00 0.00 H new ATOM 871 N THR A 60 9.294 -7.748 -2.374 1.00 0.00 N ATOM 872 CA THR A 60 10.457 -7.712 -3.251 1.00 0.00 C ATOM 873 C THR A 60 10.349 -8.762 -4.350 1.00 0.00 C ATOM 874 O THR A 60 11.247 -8.898 -5.183 1.00 0.00 O ATOM 875 CB THR A 60 11.762 -7.941 -2.464 1.00 0.00 C ATOM 876 OG1 THR A 60 11.710 -9.201 -1.787 1.00 0.00 O ATOM 877 CG2 THR A 60 11.987 -6.826 -1.454 1.00 0.00 C ATOM 0 H THR A 60 9.453 -8.216 -1.482 1.00 0.00 H new ATOM 0 HA THR A 60 10.483 -6.720 -3.701 1.00 0.00 H new ATOM 0 HB THR A 60 12.592 -7.942 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.543 -9.340 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.914 -7.009 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.055 -5.871 -1.975 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.154 -6.798 -0.752 1.00 0.00 H new ATOM 885 N ASP A 61 9.246 -9.503 -4.349 1.00 0.00 N ATOM 886 CA ASP A 61 9.021 -10.541 -5.348 1.00 0.00 C ATOM 887 C ASP A 61 7.756 -10.255 -6.151 1.00 0.00 C ATOM 888 O ASP A 61 6.660 -10.175 -5.596 1.00 0.00 O ATOM 889 CB ASP A 61 8.915 -11.911 -4.676 1.00 0.00 C ATOM 890 CG ASP A 61 9.010 -13.052 -5.670 1.00 0.00 C ATOM 891 OD1 ASP A 61 8.333 -12.984 -6.716 1.00 0.00 O ATOM 892 OD2 ASP A 61 9.761 -14.012 -5.400 1.00 0.00 O ATOM 0 H ASP A 61 8.494 -9.404 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 61 9.871 -10.545 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.708 -12.011 -3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.968 -11.977 -4.140 1.00 0.00 H new ATOM 897 N VAL A 62 7.915 -10.102 -7.462 1.00 0.00 N ATOM 898 CA VAL A 62 6.787 -9.825 -8.343 1.00 0.00 C ATOM 899 C VAL A 62 6.062 -11.110 -8.727 1.00 0.00 C ATOM 900 O VAL A 62 4.849 -11.113 -8.930 1.00 0.00 O ATOM 901 CB VAL A 62 7.239 -9.100 -9.624 1.00 0.00 C ATOM 902 CG1 VAL A 62 8.012 -10.048 -10.529 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.041 -8.511 -10.354 1.00 0.00 C ATOM 0 H VAL A 62 8.815 -10.165 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 62 6.106 -9.178 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 62 7.902 -8.282 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.323 -9.518 -11.429 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.892 -10.417 -10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.375 -10.888 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.379 -8.002 -11.257 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.351 -9.310 -10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.534 -7.798 -9.704 1.00 0.00 H new ATOM 913 N ASN A 63 6.815 -12.201 -8.825 1.00 0.00 N ATOM 914 CA ASN A 63 6.244 -13.494 -9.185 1.00 0.00 C ATOM 915 C ASN A 63 5.804 -14.260 -7.941 1.00 0.00 C ATOM 916 O ASN A 63 5.539 -15.460 -8.001 1.00 0.00 O ATOM 917 CB ASN A 63 7.260 -14.321 -9.975 1.00 0.00 C ATOM 918 CG ASN A 63 7.461 -13.799 -11.384 1.00 0.00 C ATOM 919 OD1 ASN A 63 6.683 -14.104 -12.288 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.510 -13.007 -11.578 1.00 0.00 N ATOM 0 H ASN A 63 7.822 -12.215 -8.660 1.00 0.00 H new ATOM 0 HA ASN A 63 5.368 -13.316 -9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.215 -14.317 -9.449 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.925 -15.357 -10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.696 -12.626 -12.505 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.129 -12.780 -10.799 1.00 0.00 H new ATOM 927 N ALA A 64 5.728 -13.557 -6.816 1.00 0.00 N ATOM 928 CA ALA A 64 5.318 -14.170 -5.559 1.00 0.00 C ATOM 929 C ALA A 64 3.799 -14.190 -5.428 1.00 0.00 C ATOM 930 O ALA A 64 3.118 -13.256 -5.851 1.00 0.00 O ATOM 931 CB ALA A 64 5.940 -13.431 -4.384 1.00 0.00 C ATOM 0 H ALA A 64 5.945 -12.563 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 64 5.671 -15.201 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.625 -13.900 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.026 -13.472 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.615 -12.391 -4.395 1.00 0.00 H new ATOM 937 N GLU A 65 3.274 -15.262 -4.842 1.00 0.00 N ATOM 938 CA GLU A 65 1.835 -15.403 -4.658 1.00 0.00 C ATOM 939 C GLU A 65 1.269 -14.228 -3.866 1.00 0.00 C ATOM 940 O GLU A 65 1.836 -13.818 -2.853 1.00 0.00 O ATOM 941 CB GLU A 65 1.517 -16.716 -3.939 1.00 0.00 C ATOM 942 CG GLU A 65 1.358 -17.901 -4.877 1.00 0.00 C ATOM 943 CD GLU A 65 2.682 -18.380 -5.440 1.00 0.00 C ATOM 944 OE1 GLU A 65 3.124 -17.827 -6.469 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.276 -19.308 -4.852 1.00 0.00 O ATOM 0 H GLU A 65 3.824 -16.044 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 65 1.368 -15.413 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.313 -16.932 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.599 -16.593 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.877 -18.720 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.697 -17.624 -5.698 1.00 0.00 H new ATOM 952 N ILE A 66 0.149 -13.689 -4.337 1.00 0.00 N ATOM 953 CA ILE A 66 -0.494 -12.562 -3.674 1.00 0.00 C ATOM 954 C ILE A 66 -0.510 -12.750 -2.161 1.00 0.00 C ATOM 955 O ILE A 66 -0.383 -11.788 -1.403 1.00 0.00 O ATOM 956 CB ILE A 66 -1.938 -12.365 -4.171 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.497 -11.032 -3.667 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.817 -13.520 -3.716 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.782 -9.825 -4.233 1.00 0.00 C ATOM 0 H ILE A 66 -0.332 -14.015 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 66 0.090 -11.676 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.932 -12.346 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.555 -10.971 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.430 -11.007 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.835 -13.366 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.427 -14.455 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.820 -13.568 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.231 -8.916 -3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.729 -9.863 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.871 -9.826 -5.319 1.00 0.00 H new ATOM 971 N HIS A 67 -0.666 -13.997 -1.727 1.00 0.00 N ATOM 972 CA HIS A 67 -0.696 -14.312 -0.303 1.00 0.00 C ATOM 973 C HIS A 67 0.630 -13.954 0.361 1.00 0.00 C ATOM 974 O HIS A 67 0.656 -13.437 1.477 1.00 0.00 O ATOM 975 CB HIS A 67 -1.000 -15.796 -0.095 1.00 0.00 C ATOM 976 CG HIS A 67 0.196 -16.682 -0.263 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.357 -16.744 0.432 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 0.287 -17.647 -1.244 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 2.119 -17.735 -0.136 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 1.450 -18.265 -1.144 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.773 -14.805 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.485 -13.718 0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.409 -15.938 0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.771 -16.103 -0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.474 -17.864 -1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.105 -18.033 0.189 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.776 -19.023 -1.744 1.00 0.00 H new ATOM 989 N ASP A 68 1.728 -14.234 -0.333 1.00 0.00 N ATOM 990 CA ASP A 68 3.058 -13.941 0.190 1.00 0.00 C ATOM 991 C ASP A 68 3.238 -12.442 0.406 1.00 0.00 C ATOM 992 O ASP A 68 3.934 -12.018 1.329 1.00 0.00 O ATOM 993 CB ASP A 68 4.131 -14.464 -0.766 1.00 0.00 C ATOM 994 CG ASP A 68 5.452 -14.723 -0.068 1.00 0.00 C ATOM 995 OD1 ASP A 68 5.819 -13.925 0.820 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.119 -15.722 -0.410 1.00 0.00 O ATOM 0 H ASP A 68 1.724 -14.663 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 68 3.163 -14.444 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.782 -15.386 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.283 -13.741 -1.568 1.00 0.00 H new ATOM 1001 N TRP A 69 2.609 -11.646 -0.451 1.00 0.00 N ATOM 1002 CA TRP A 69 2.702 -10.194 -0.354 1.00 0.00 C ATOM 1003 C TRP A 69 2.188 -9.704 0.996 1.00 0.00 C ATOM 1004 O TRP A 69 1.134 -10.135 1.463 1.00 0.00 O ATOM 1005 CB TRP A 69 1.909 -9.535 -1.484 1.00 0.00 C ATOM 1006 CG TRP A 69 2.526 -9.732 -2.836 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.935 -10.913 -3.386 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.805 -8.717 -3.806 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.452 -10.694 -4.640 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.383 -9.355 -4.921 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.622 -7.332 -3.843 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.778 -8.654 -6.057 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.015 -6.638 -4.971 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.587 -7.299 -6.066 1.00 0.00 C ATOM 0 H TRP A 69 2.029 -11.981 -1.220 1.00 0.00 H new ATOM 0 HA TRP A 69 3.752 -9.916 -0.445 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.897 -9.940 -1.492 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.824 -8.467 -1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.863 -11.878 -2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.826 -11.412 -5.261 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.181 -6.813 -3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.220 -9.162 -6.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.879 -5.567 -5.009 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.883 -6.728 -6.934 1.00 0.00 H new ATOM 1025 N VAL A 70 2.940 -8.802 1.618 1.00 0.00 N ATOM 1026 CA VAL A 70 2.560 -8.253 2.914 1.00 0.00 C ATOM 1027 C VAL A 70 1.211 -7.546 2.838 1.00 0.00 C ATOM 1028 O VAL A 70 0.844 -6.998 1.798 1.00 0.00 O ATOM 1029 CB VAL A 70 3.617 -7.262 3.436 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.453 -5.905 2.768 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.527 -7.135 4.949 1.00 0.00 C ATOM 0 H VAL A 70 3.816 -8.436 1.245 1.00 0.00 H new ATOM 0 HA VAL A 70 2.488 -9.094 3.604 1.00 0.00 H new ATOM 0 HB VAL A 70 4.606 -7.647 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.208 -5.218 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.572 -6.013 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.461 -5.510 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.281 -6.431 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.536 -6.774 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.699 -8.109 5.407 1.00 0.00 H new ATOM 1041 N ILE A 71 0.477 -7.563 3.945 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.831 -6.922 4.004 1.00 0.00 C ATOM 1043 C ILE A 71 -0.774 -5.629 4.810 1.00 0.00 C ATOM 1044 O ILE A 71 -0.501 -5.647 6.010 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.887 -7.855 4.624 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.107 -9.078 3.731 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.195 -7.107 4.837 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.869 -10.193 4.411 1.00 0.00 C ATOM 0 H ILE A 71 0.766 -8.014 4.813 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.118 -6.694 2.977 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.524 -8.197 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.649 -8.772 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.139 -9.457 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.932 -7.780 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.027 -6.265 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.564 -6.740 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.988 -11.027 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.318 -10.527 5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.851 -9.830 4.714 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.035 -4.509 4.143 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.015 -3.207 4.799 1.00 0.00 C ATOM 1062 C GLU A 72 -2.394 -2.556 4.758 1.00 0.00 C ATOM 1063 O GLU A 72 -2.705 -1.759 3.873 1.00 0.00 O ATOM 1064 CB GLU A 72 0.014 -2.292 4.132 1.00 0.00 C ATOM 1065 CG GLU A 72 1.401 -2.384 4.748 1.00 0.00 C ATOM 1066 CD GLU A 72 1.369 -2.352 6.264 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.411 -1.241 6.834 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.303 -3.436 6.880 1.00 0.00 O ATOM 0 H GLU A 72 -1.263 -4.477 3.149 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.735 -3.358 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.079 -2.543 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.334 -1.261 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.881 -3.305 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.012 -1.558 4.384 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.241 -2.902 5.739 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.600 -2.363 5.837 1.00 0.00 C ATOM 1077 C PRO A 73 -4.612 -0.886 6.216 1.00 0.00 C ATOM 1078 O PRO A 73 -3.824 -0.442 7.051 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.236 -3.204 6.947 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.088 -3.666 7.777 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.936 -3.846 6.827 1.00 0.00 C ATOM 0 HA PRO A 73 -5.129 -2.417 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.939 -2.615 7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.792 -4.047 6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.846 -2.936 8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.325 -4.601 8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.983 -3.616 7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.872 -4.871 6.463 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.511 -0.128 5.596 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.627 1.300 5.868 1.00 0.00 C ATOM 1091 C VAL A 74 -6.914 1.612 6.624 1.00 0.00 C ATOM 1092 O VAL A 74 -7.976 1.076 6.310 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.595 2.124 4.568 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.760 3.606 4.870 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.302 1.868 3.807 1.00 0.00 C ATOM 0 H VAL A 74 -6.170 -0.479 4.901 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.771 1.576 6.484 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.429 1.811 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.735 4.172 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.715 3.771 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.949 3.938 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.296 2.458 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.452 2.152 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.230 0.809 3.557 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.811 2.485 7.621 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.967 2.872 8.421 1.00 0.00 C ATOM 1107 C VAL A 75 -8.452 4.267 8.047 1.00 0.00 C ATOM 1108 O VAL A 75 -7.730 5.039 7.417 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.643 2.839 9.927 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -7.286 1.427 10.366 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.516 3.808 10.251 1.00 0.00 C ATOM 0 H VAL A 75 -5.939 2.938 7.894 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.755 2.149 8.210 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.530 3.152 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.060 1.424 11.432 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.127 0.762 10.171 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.414 1.082 9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.300 3.771 11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.624 3.529 9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.815 4.819 9.976 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.682 4.586 8.441 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.243 5.889 8.138 1.00 0.00 C ATOM 1123 C GLY A 76 -10.385 6.128 6.648 1.00 0.00 C ATOM 1124 O GLY A 76 -10.213 7.250 6.173 1.00 0.00 O ATOM 0 H GLY A 76 -10.299 3.965 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.220 5.979 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.608 6.663 8.568 1.00 0.00 H new ATOM 1128 N ASN A 77 -10.698 5.069 5.908 1.00 0.00 N ATOM 1129 CA ASN A 77 -10.860 5.169 4.462 1.00 0.00 C ATOM 1130 C ASN A 77 -9.847 6.142 3.867 1.00 0.00 C ATOM 1131 O ASN A 77 -10.216 7.087 3.169 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.281 5.619 4.117 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.791 6.694 5.057 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -13.085 6.427 6.222 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -12.898 7.918 4.553 1.00 0.00 N ATOM 0 H ASN A 77 -10.844 4.133 6.285 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.684 4.183 4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.302 5.995 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.951 4.760 4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.235 8.683 5.138 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.643 8.093 3.581 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.570 5.904 4.147 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.504 6.759 3.640 1.00 0.00 C ATOM 1144 C ARG A 78 -7.085 6.332 2.236 1.00 0.00 C ATOM 1145 O ARG A 78 -6.959 5.141 1.950 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.297 6.717 4.578 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.501 8.012 4.605 1.00 0.00 C ATOM 1148 CD ARG A 78 -6.038 8.975 5.651 1.00 0.00 C ATOM 1149 NE ARG A 78 -5.040 9.964 6.048 1.00 0.00 N ATOM 1150 CZ ARG A 78 -5.320 11.042 6.773 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -6.562 11.267 7.178 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -4.357 11.896 7.094 1.00 0.00 N ATOM 0 H ARG A 78 -8.248 5.126 4.723 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.884 7.780 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.640 6.490 5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.639 5.903 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.454 7.792 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.537 8.483 3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.917 9.485 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.361 8.414 6.528 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.074 9.820 5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.305 10.612 6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.775 12.095 7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.400 11.726 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.573 12.723 7.650 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.872 7.311 1.364 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.467 7.037 -0.010 1.00 0.00 C ATOM 1168 C LEU A 79 -4.949 7.071 -0.148 1.00 0.00 C ATOM 1169 O LEU A 79 -4.411 6.936 -1.248 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.100 8.055 -0.961 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.620 7.979 -1.111 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.142 9.188 -1.873 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.023 6.690 -1.812 1.00 0.00 C ATOM 0 H LEU A 79 -6.973 8.302 1.584 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.814 6.038 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.839 9.056 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.651 7.930 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.065 7.982 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.225 9.117 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.885 10.098 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.690 9.216 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.108 6.653 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.568 6.657 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.682 5.836 -1.227 1.00 0.00 H new ATOM 1185 N THR A 80 -4.261 7.250 0.975 1.00 0.00 N ATOM 1186 CA THR A 80 -2.805 7.301 0.981 1.00 0.00 C ATOM 1187 C THR A 80 -2.233 6.541 2.172 1.00 0.00 C ATOM 1188 O THR A 80 -2.846 6.486 3.238 1.00 0.00 O ATOM 1189 CB THR A 80 -2.293 8.753 1.018 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.861 8.767 1.047 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.837 9.487 2.234 1.00 0.00 C ATOM 0 H THR A 80 -4.690 7.362 1.894 1.00 0.00 H new ATOM 0 HA THR A 80 -2.469 6.829 0.058 1.00 0.00 H new ATOM 0 HB THR A 80 -2.643 9.262 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.543 9.694 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.462 10.510 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.926 9.500 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.513 8.977 3.142 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.053 5.957 1.985 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.397 5.202 3.046 1.00 0.00 C ATOM 1201 C HIS A 81 1.107 5.456 3.045 1.00 0.00 C ATOM 1202 O HIS A 81 1.730 5.541 1.986 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.674 3.707 2.882 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.378 2.905 4.112 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.902 3.206 5.351 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.392 1.805 4.288 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.466 2.328 6.237 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.320 1.467 5.617 1.00 0.00 N ATOM 0 H HIS A 81 -0.532 5.992 1.109 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.803 5.537 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.720 3.567 2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.076 3.323 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.957 1.290 3.525 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.711 2.317 7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.797 0.678 6.054 1.00 0.00 H new ATOM 1217 N GLN A 82 1.683 5.578 4.236 1.00 0.00 N ATOM 1218 CA GLN A 82 3.114 5.824 4.371 1.00 0.00 C ATOM 1219 C GLN A 82 3.845 4.561 4.813 1.00 0.00 C ATOM 1220 O GLN A 82 3.426 3.888 5.755 1.00 0.00 O ATOM 1221 CB GLN A 82 3.367 6.951 5.374 1.00 0.00 C ATOM 1222 CG GLN A 82 3.377 8.335 4.744 1.00 0.00 C ATOM 1223 CD GLN A 82 3.676 9.431 5.748 1.00 0.00 C ATOM 1224 OE1 GLN A 82 3.508 9.246 6.954 1.00 0.00 O ATOM 1225 NE2 GLN A 82 4.122 10.580 5.255 1.00 0.00 N ATOM 0 H GLN A 82 1.181 5.511 5.121 1.00 0.00 H new ATOM 0 HA GLN A 82 3.499 6.122 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.599 6.918 6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.323 6.779 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.122 8.363 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.409 8.526 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.246 10.689 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.340 11.354 5.883 1.00 0.00 H new ATOM 1234 N ILE A 83 4.938 4.245 4.126 1.00 0.00 N ATOM 1235 CA ILE A 83 5.727 3.062 4.449 1.00 0.00 C ATOM 1236 C ILE A 83 7.211 3.399 4.537 1.00 0.00 C ATOM 1237 O ILE A 83 7.785 3.964 3.607 1.00 0.00 O ATOM 1238 CB ILE A 83 5.526 1.949 3.404 1.00 0.00 C ATOM 1239 CG1 ILE A 83 4.055 1.530 3.349 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.411 0.754 3.726 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.701 0.726 2.117 1.00 0.00 C ATOM 0 H ILE A 83 5.297 4.791 3.343 1.00 0.00 H new ATOM 0 HA ILE A 83 5.379 2.706 5.419 1.00 0.00 H new ATOM 0 HB ILE A 83 5.811 2.334 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.820 0.942 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.430 2.422 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.258 -0.024 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.456 1.063 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.154 0.366 4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.643 0.464 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.904 1.319 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.300 -0.184 2.092 1.00 0.00 H new ATOM 1253 N GLN A 84 7.826 3.047 5.662 1.00 0.00 N ATOM 1254 CA GLN A 84 9.245 3.312 5.871 1.00 0.00 C ATOM 1255 C GLN A 84 9.987 2.033 6.247 1.00 0.00 C ATOM 1256 O GLN A 84 9.399 0.954 6.292 1.00 0.00 O ATOM 1257 CB GLN A 84 9.433 4.365 6.964 1.00 0.00 C ATOM 1258 CG GLN A 84 8.693 4.045 8.252 1.00 0.00 C ATOM 1259 CD GLN A 84 9.347 4.665 9.471 1.00 0.00 C ATOM 1260 OE1 GLN A 84 10.195 4.048 10.116 1.00 0.00 O ATOM 1261 NE2 GLN A 84 8.956 5.893 9.792 1.00 0.00 N ATOM 0 H GLN A 84 7.365 2.578 6.442 1.00 0.00 H new ATOM 0 HA GLN A 84 9.660 3.691 4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.496 4.465 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.092 5.330 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.666 4.402 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.646 2.964 8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.250 6.367 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.362 6.362 10.602 1.00 0.00 H new ATOM 1270 N GLU A 85 11.282 2.165 6.517 1.00 0.00 N ATOM 1271 CA GLU A 85 12.104 1.019 6.889 1.00 0.00 C ATOM 1272 C GLU A 85 12.193 0.018 5.740 1.00 0.00 C ATOM 1273 O GLU A 85 11.967 -1.179 5.926 1.00 0.00 O ATOM 1274 CB GLU A 85 11.533 0.335 8.133 1.00 0.00 C ATOM 1275 CG GLU A 85 11.262 1.292 9.282 1.00 0.00 C ATOM 1276 CD GLU A 85 10.381 0.680 10.354 1.00 0.00 C ATOM 1277 OE1 GLU A 85 10.876 -0.188 11.103 1.00 0.00 O ATOM 1278 OE2 GLU A 85 9.198 1.069 10.444 1.00 0.00 O ATOM 0 H GLU A 85 11.784 3.052 6.485 1.00 0.00 H new ATOM 0 HA GLU A 85 13.108 1.381 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.605 -0.171 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.230 -0.433 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.209 1.598 9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.785 2.193 8.895 1.00 0.00 H new ATOM 1285 N LEU A 86 12.522 0.515 4.554 1.00 0.00 N ATOM 1286 CA LEU A 86 12.641 -0.334 3.374 1.00 0.00 C ATOM 1287 C LEU A 86 14.056 -0.286 2.807 1.00 0.00 C ATOM 1288 O LEU A 86 14.881 0.523 3.235 1.00 0.00 O ATOM 1289 CB LEU A 86 11.636 0.101 2.305 1.00 0.00 C ATOM 1290 CG LEU A 86 10.159 -0.050 2.671 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.288 0.745 1.711 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.756 -1.517 2.670 1.00 0.00 C ATOM 0 H LEU A 86 12.711 1.503 4.383 1.00 0.00 H new ATOM 0 HA LEU A 86 12.425 -1.360 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.824 1.147 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.826 -0.476 1.400 1.00 0.00 H new ATOM 0 HG LEU A 86 10.011 0.345 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.240 0.626 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.559 1.800 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.440 0.380 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.702 -1.605 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.919 -1.938 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.358 -2.060 3.399 1.00 0.00 H new ATOM 1304 N THR A 87 14.331 -1.156 1.841 1.00 0.00 N ATOM 1305 CA THR A 87 15.646 -1.212 1.215 1.00 0.00 C ATOM 1306 C THR A 87 15.801 -0.120 0.162 1.00 0.00 C ATOM 1307 O THR A 87 14.816 0.352 -0.407 1.00 0.00 O ATOM 1308 CB THR A 87 15.898 -2.582 0.558 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.202 -3.606 1.278 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.385 -2.901 0.523 1.00 0.00 C ATOM 0 H THR A 87 13.660 -1.832 1.475 1.00 0.00 H new ATOM 0 HA THR A 87 16.379 -1.057 2.006 1.00 0.00 H new ATOM 0 HB THR A 87 15.527 -2.542 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.264 -3.626 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.538 -3.873 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.908 -2.136 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.776 -2.923 1.540 1.00 0.00 H new ATOM 1318 N LEU A 88 17.043 0.276 -0.094 1.00 0.00 N ATOM 1319 CA LEU A 88 17.327 1.313 -1.080 1.00 0.00 C ATOM 1320 C LEU A 88 17.890 0.706 -2.361 1.00 0.00 C ATOM 1321 O LEU A 88 18.347 -0.437 -2.370 1.00 0.00 O ATOM 1322 CB LEU A 88 18.314 2.332 -0.508 1.00 0.00 C ATOM 1323 CG LEU A 88 17.949 2.930 0.851 1.00 0.00 C ATOM 1324 CD1 LEU A 88 19.153 3.624 1.469 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.785 3.900 0.712 1.00 0.00 C ATOM 0 H LEU A 88 17.869 -0.105 0.367 1.00 0.00 H new ATOM 0 HA LEU A 88 16.391 1.818 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.290 1.854 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.420 3.147 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 88 17.643 2.120 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.875 4.044 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.959 2.903 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.490 4.424 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.539 4.316 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.063 4.707 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.918 3.373 0.313 1.00 0.00 H new ATOM 1337 N ASP A 89 17.856 1.480 -3.441 1.00 0.00 N ATOM 1338 CA ASP A 89 18.366 1.020 -4.727 1.00 0.00 C ATOM 1339 C ASP A 89 17.834 -0.371 -5.057 1.00 0.00 C ATOM 1340 O ASP A 89 18.582 -1.247 -5.492 1.00 0.00 O ATOM 1341 CB ASP A 89 19.896 1.005 -4.717 1.00 0.00 C ATOM 1342 CG ASP A 89 20.482 0.896 -6.111 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.667 -0.243 -6.589 1.00 0.00 O ATOM 1344 OD2 ASP A 89 20.758 1.949 -6.724 1.00 0.00 O ATOM 0 H ASP A 89 17.481 2.428 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 89 18.022 1.713 -5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.262 1.915 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.245 0.167 -4.113 1.00 0.00 H new ATOM 1349 N THR A 90 16.536 -0.567 -4.847 1.00 0.00 N ATOM 1350 CA THR A 90 15.903 -1.852 -5.120 1.00 0.00 C ATOM 1351 C THR A 90 14.498 -1.664 -5.680 1.00 0.00 C ATOM 1352 O THR A 90 13.697 -0.885 -5.164 1.00 0.00 O ATOM 1353 CB THR A 90 15.826 -2.721 -3.850 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.145 -2.997 -3.365 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.100 -4.028 -4.132 1.00 0.00 C ATOM 0 H THR A 90 15.902 0.148 -4.489 1.00 0.00 H new ATOM 0 HA THR A 90 16.522 -2.359 -5.861 1.00 0.00 H new ATOM 0 HB THR A 90 15.268 -2.170 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.553 -2.169 -3.037 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.058 -4.625 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.087 -3.815 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.634 -4.582 -4.904 1.00 0.00 H new ATOM 1363 N PRO A 91 14.188 -2.396 -6.761 1.00 0.00 N ATOM 1364 CA PRO A 91 12.878 -2.328 -7.413 1.00 0.00 C ATOM 1365 C PRO A 91 11.773 -2.942 -6.560 1.00 0.00 C ATOM 1366 O PRO A 91 11.625 -4.164 -6.505 1.00 0.00 O ATOM 1367 CB PRO A 91 13.077 -3.140 -8.695 1.00 0.00 C ATOM 1368 CG PRO A 91 14.190 -4.080 -8.379 1.00 0.00 C ATOM 1369 CD PRO A 91 15.094 -3.345 -7.428 1.00 0.00 C ATOM 0 HA PRO A 91 12.563 -1.299 -7.588 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.169 -3.678 -8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.330 -2.495 -9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.811 -4.997 -7.927 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.726 -4.368 -9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.563 -4.023 -6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.898 -2.831 -7.954 1.00 0.00 H new ATOM 1377 N TYR A 92 11.000 -2.089 -5.898 1.00 0.00 N ATOM 1378 CA TYR A 92 9.909 -2.549 -5.046 1.00 0.00 C ATOM 1379 C TYR A 92 8.562 -2.363 -5.738 1.00 0.00 C ATOM 1380 O TYR A 92 8.319 -1.345 -6.386 1.00 0.00 O ATOM 1381 CB TYR A 92 9.920 -1.793 -3.716 1.00 0.00 C ATOM 1382 CG TYR A 92 10.746 -2.468 -2.644 1.00 0.00 C ATOM 1383 CD1 TYR A 92 12.131 -2.365 -2.638 1.00 0.00 C ATOM 1384 CD2 TYR A 92 10.140 -3.207 -1.635 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.889 -2.980 -1.660 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.890 -3.824 -0.653 1.00 0.00 C ATOM 1387 CZ TYR A 92 12.264 -3.708 -0.670 1.00 0.00 C ATOM 1388 OH TYR A 92 13.016 -4.321 0.306 1.00 0.00 O ATOM 0 H TYR A 92 11.108 -1.075 -5.935 1.00 0.00 H new ATOM 0 HA TYR A 92 10.055 -3.612 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.307 -0.788 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.895 -1.686 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.624 -1.794 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.064 -3.300 -1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.965 -2.891 -1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.403 -4.394 0.124 1.00 0.00 H new ATOM 0 HH TYR A 92 12.423 -4.792 0.928 1.00 0.00 H new ATOM 1398 N TYR A 93 7.690 -3.355 -5.595 1.00 0.00 N ATOM 1399 CA TYR A 93 6.368 -3.304 -6.207 1.00 0.00 C ATOM 1400 C TYR A 93 5.285 -3.113 -5.149 1.00 0.00 C ATOM 1401 O TYR A 93 5.317 -3.741 -4.090 1.00 0.00 O ATOM 1402 CB TYR A 93 6.100 -4.584 -7.001 1.00 0.00 C ATOM 1403 CG TYR A 93 7.244 -4.986 -7.904 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.331 -5.694 -7.407 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.237 -4.659 -9.254 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.379 -6.063 -8.228 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.280 -5.025 -10.083 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.348 -5.727 -9.566 1.00 0.00 C ATOM 1409 OH TYR A 93 10.389 -6.094 -10.387 1.00 0.00 O ATOM 0 H TYR A 93 7.875 -4.204 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 93 6.343 -2.451 -6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.894 -5.397 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.203 -4.446 -7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.357 -5.961 -6.361 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.402 -4.109 -9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.218 -6.611 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.259 -4.763 -11.130 1.00 0.00 H new ATOM 0 HH TYR A 93 10.640 -5.336 -10.956 1.00 0.00 H new ATOM 1419 N PHE A 94 4.327 -2.241 -5.444 1.00 0.00 N ATOM 1420 CA PHE A 94 3.233 -1.965 -4.519 1.00 0.00 C ATOM 1421 C PHE A 94 1.884 -2.250 -5.172 1.00 0.00 C ATOM 1422 O PHE A 94 1.772 -2.301 -6.397 1.00 0.00 O ATOM 1423 CB PHE A 94 3.288 -0.510 -4.050 1.00 0.00 C ATOM 1424 CG PHE A 94 4.608 -0.125 -3.444 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.649 0.319 -4.243 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.807 -0.208 -2.075 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.864 0.675 -3.688 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.019 0.146 -1.515 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.050 0.587 -2.322 1.00 0.00 C ATOM 0 H PHE A 94 4.286 -1.713 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 94 3.345 -2.622 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.081 0.144 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.498 -0.343 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.510 0.388 -5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.005 -0.553 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.667 1.022 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.161 0.078 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.999 0.862 -1.886 1.00 0.00 H new ATOM 1439 N LYS A 95 0.860 -2.435 -4.345 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.483 -2.715 -4.840 1.00 0.00 C ATOM 1441 C LYS A 95 -1.537 -2.086 -3.935 1.00 0.00 C ATOM 1442 O LYS A 95 -1.327 -1.938 -2.730 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.710 -4.225 -4.933 1.00 0.00 C ATOM 1444 CG LYS A 95 0.037 -4.883 -6.080 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.194 -6.385 -6.107 1.00 0.00 C ATOM 1446 CE LYS A 95 0.229 -6.990 -7.437 1.00 0.00 C ATOM 1447 NZ LYS A 95 -0.232 -8.399 -7.577 1.00 0.00 N ATOM 0 H LYS A 95 0.935 -2.396 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.576 -2.279 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.401 -4.689 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.777 -4.417 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.288 -4.447 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.104 -4.680 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.365 -6.855 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.249 -6.595 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.177 -6.392 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.315 -6.953 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.076 -8.775 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.175 -8.975 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.270 -8.432 -7.520 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.671 -1.718 -4.522 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.759 -1.108 -3.767 1.00 0.00 C ATOM 1463 C ILE A 96 -5.082 -1.813 -4.043 1.00 0.00 C ATOM 1464 O ILE A 96 -5.352 -2.228 -5.169 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.907 0.388 -4.103 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.558 1.097 -3.977 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.940 1.035 -3.193 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.417 2.296 -4.890 1.00 0.00 C ATOM 0 H ILE A 96 -2.860 -1.832 -5.518 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.508 -1.212 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.250 0.482 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.421 1.419 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.761 0.387 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.033 2.092 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.903 0.543 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.624 0.934 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.436 2.749 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.522 1.978 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.192 3.026 -4.654 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.904 -1.943 -3.006 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.201 -2.597 -3.138 1.00 0.00 C ATOM 1482 C GLN A 97 -8.271 -1.848 -2.351 1.00 0.00 C ATOM 1483 O GLN A 97 -7.988 -1.251 -1.312 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.116 -4.046 -2.653 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.471 -4.721 -2.513 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.395 -6.029 -1.751 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.171 -6.044 -0.541 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.582 -7.138 -2.458 1.00 0.00 N ATOM 0 H GLN A 97 -5.695 -1.605 -2.067 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.478 -2.589 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.504 -4.619 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.607 -4.069 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.158 -4.046 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.885 -4.906 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.765 -7.079 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.542 -8.048 -1.999 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.501 -1.882 -2.853 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.613 -1.208 -2.197 1.00 0.00 C ATOM 1499 C ALA A 98 -11.664 -2.209 -1.729 1.00 0.00 C ATOM 1500 O ALA A 98 -11.959 -3.182 -2.423 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.237 -0.184 -3.134 1.00 0.00 C ATOM 0 H ALA A 98 -9.752 -2.370 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.225 -0.692 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.067 0.312 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.488 0.557 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.604 -0.686 -4.029 1.00 0.00 H new ATOM 1507 N ARG A 99 -12.224 -1.964 -0.549 1.00 0.00 N ATOM 1508 CA ARG A 99 -13.240 -2.846 0.012 1.00 0.00 C ATOM 1509 C ARG A 99 -14.364 -2.040 0.657 1.00 0.00 C ATOM 1510 O ARG A 99 -14.145 -0.933 1.145 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.616 -3.787 1.044 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.654 -3.245 2.464 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.632 -3.937 3.352 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.351 -3.235 3.363 1.00 0.00 N ATOM 1515 CZ ARG A 99 -10.089 -2.196 4.147 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -11.014 -1.741 4.981 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -8.899 -1.610 4.099 1.00 0.00 N ATOM 0 H ARG A 99 -11.991 -1.162 0.037 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.661 -3.437 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.139 -4.743 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.580 -3.982 0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.459 -2.173 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.652 -3.382 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.019 -4.000 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.482 -4.959 3.004 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.617 -3.561 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.929 -2.189 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.810 -0.943 5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.185 -1.958 3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.699 -0.812 4.702 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.567 -2.605 0.653 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.726 -1.938 1.237 1.00 0.00 C ATOM 1533 C ASN A 100 -17.325 -2.775 2.362 1.00 0.00 C ATOM 1534 O ASN A 100 -16.893 -3.900 2.611 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.783 -1.675 0.163 1.00 0.00 C ATOM 1536 CG ASN A 100 -18.176 -2.936 -0.583 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.728 -4.033 -0.249 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -19.018 -2.784 -1.599 1.00 0.00 N ATOM 0 H ASN A 100 -15.765 -3.522 0.252 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.396 -0.986 1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.668 -1.240 0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.401 -0.941 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.319 -3.596 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.364 -1.855 -1.840 1.00 0.00 H new ATOM 1545 N SER A 101 -18.324 -2.217 3.040 1.00 0.00 N ATOM 1546 CA SER A 101 -18.981 -2.910 4.141 1.00 0.00 C ATOM 1547 C SER A 101 -19.194 -4.383 3.806 1.00 0.00 C ATOM 1548 O SER A 101 -19.302 -5.226 4.697 1.00 0.00 O ATOM 1549 CB SER A 101 -20.323 -2.249 4.460 1.00 0.00 C ATOM 1550 OG SER A 101 -20.860 -2.743 5.674 1.00 0.00 O ATOM 0 H SER A 101 -18.695 -1.287 2.845 1.00 0.00 H new ATOM 0 HA SER A 101 -18.335 -2.844 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.192 -1.169 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.025 -2.433 3.647 1.00 0.00 H new ATOM 0 HG SER A 101 -21.717 -2.303 5.856 1.00 0.00 H new ATOM 1556 N LYS A 102 -19.254 -4.687 2.514 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.453 -6.057 2.058 1.00 0.00 C ATOM 1558 C LYS A 102 -18.146 -6.842 2.105 1.00 0.00 C ATOM 1559 O LYS A 102 -17.964 -7.714 2.953 1.00 0.00 O ATOM 1560 CB LYS A 102 -20.015 -6.067 0.634 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.525 -5.913 0.575 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.981 -4.625 1.241 1.00 0.00 C ATOM 1563 CE LYS A 102 -23.482 -4.625 1.486 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.834 -5.290 2.771 1.00 0.00 N ATOM 0 H LYS A 102 -19.167 -4.002 1.763 1.00 0.00 H new ATOM 0 HA LYS A 102 -20.168 -6.535 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.553 -5.260 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.734 -7.001 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.852 -5.922 -0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.998 -6.764 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.457 -4.499 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.714 -3.775 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -23.848 -3.598 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -23.984 -5.135 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -24.866 -5.269 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -23.507 -6.277 2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.376 -4.789 3.558 1.00 0.00 H new ATOM 1578 N GLY A 103 -17.237 -6.524 1.188 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.958 -7.207 1.143 1.00 0.00 C ATOM 1580 C GLY A 103 -14.940 -6.479 0.288 1.00 0.00 C ATOM 1581 O GLY A 103 -15.137 -5.317 -0.067 1.00 0.00 O ATOM 0 H GLY A 103 -17.364 -5.805 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.569 -7.310 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.101 -8.214 0.752 1.00 0.00 H new ATOM 1585 N MET A 104 -13.850 -7.162 -0.043 1.00 0.00 N ATOM 1586 CA MET A 104 -12.797 -6.572 -0.862 1.00 0.00 C ATOM 1587 C MET A 104 -12.882 -7.073 -2.300 1.00 0.00 C ATOM 1588 O MET A 104 -13.598 -8.029 -2.593 1.00 0.00 O ATOM 1589 CB MET A 104 -11.422 -6.898 -0.276 1.00 0.00 C ATOM 1590 CG MET A 104 -11.424 -7.036 1.237 1.00 0.00 C ATOM 1591 SD MET A 104 -11.850 -8.700 1.783 1.00 0.00 S ATOM 1592 CE MET A 104 -10.233 -9.341 2.211 1.00 0.00 C ATOM 0 H MET A 104 -13.672 -8.125 0.243 1.00 0.00 H new ATOM 0 HA MET A 104 -12.935 -5.491 -0.864 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.059 -7.826 -0.717 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.720 -6.114 -0.560 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.439 -6.772 1.623 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.134 -6.326 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 104 -10.331 -10.366 2.568 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.590 -9.323 1.331 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.793 -8.725 2.995 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.146 -6.419 -3.194 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.153 -6.813 -4.591 1.00 0.00 C ATOM 1604 C GLY A 105 -10.861 -7.486 -5.011 1.00 0.00 C ATOM 1605 O GLY A 105 -10.114 -8.012 -4.186 1.00 0.00 O ATOM 0 H GLY A 105 -11.545 -5.624 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.987 -7.492 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.319 -5.933 -5.212 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.583 -7.476 -6.323 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.372 -8.086 -6.880 1.00 0.00 C ATOM 1611 C PRO A 106 -8.110 -7.317 -6.506 1.00 0.00 C ATOM 1612 O PRO A 106 -8.123 -6.491 -5.594 1.00 0.00 O ATOM 1613 CB PRO A 106 -9.608 -8.026 -8.391 1.00 0.00 C ATOM 1614 CG PRO A 106 -10.549 -6.886 -8.583 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.428 -6.866 -7.363 1.00 0.00 C ATOM 0 HA PRO A 106 -9.212 -9.095 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.675 -7.865 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.034 -8.958 -8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.007 -5.946 -8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.141 -7.017 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.723 -5.851 -7.097 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.345 -7.434 -7.519 1.00 0.00 H new ATOM 1623 N MET A 107 -7.022 -7.593 -7.217 1.00 0.00 N ATOM 1624 CA MET A 107 -5.752 -6.925 -6.961 1.00 0.00 C ATOM 1625 C MET A 107 -5.311 -6.110 -8.173 1.00 0.00 C ATOM 1626 O MET A 107 -5.456 -6.550 -9.313 1.00 0.00 O ATOM 1627 CB MET A 107 -4.675 -7.950 -6.602 1.00 0.00 C ATOM 1628 CG MET A 107 -4.970 -8.720 -5.325 1.00 0.00 C ATOM 1629 SD MET A 107 -5.379 -7.639 -3.941 1.00 0.00 S ATOM 1630 CE MET A 107 -5.781 -8.843 -2.677 1.00 0.00 C ATOM 0 H MET A 107 -6.995 -8.275 -7.975 1.00 0.00 H new ATOM 0 HA MET A 107 -5.891 -6.246 -6.120 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.568 -8.656 -7.426 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.719 -7.438 -6.495 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.798 -9.406 -5.502 1.00 0.00 H new ATOM 0 HG3 MET A 107 -4.104 -9.327 -5.063 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.410 -8.378 -1.918 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.315 -9.679 -3.128 1.00 0.00 H new ATOM 0 HE3 MET A 107 -4.863 -9.206 -2.215 1.00 0.00 H new ATOM 1640 N SER A 108 -4.772 -4.922 -7.918 1.00 0.00 N ATOM 1641 CA SER A 108 -4.314 -4.045 -8.989 1.00 0.00 C ATOM 1642 C SER A 108 -2.983 -4.529 -9.555 1.00 0.00 C ATOM 1643 O SER A 108 -2.410 -5.506 -9.074 1.00 0.00 O ATOM 1644 CB SER A 108 -4.173 -2.610 -8.477 1.00 0.00 C ATOM 1645 OG SER A 108 -3.335 -1.846 -9.326 1.00 0.00 O ATOM 0 H SER A 108 -4.642 -4.545 -6.979 1.00 0.00 H new ATOM 0 HA SER A 108 -5.057 -4.067 -9.786 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.156 -2.144 -8.416 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.762 -2.619 -7.468 1.00 0.00 H new ATOM 0 HG SER A 108 -2.407 -1.919 -9.021 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.496 -3.836 -10.580 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.232 -4.195 -11.213 1.00 0.00 C ATOM 1653 C GLU A 109 -0.050 -3.762 -10.351 1.00 0.00 C ATOM 1654 O GLU A 109 -0.032 -2.654 -9.815 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.130 -3.554 -12.599 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.905 -4.298 -13.673 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.357 -4.052 -15.065 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.134 -2.874 -15.414 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.151 -5.036 -15.804 1.00 0.00 O ATOM 0 H GLU A 109 -2.957 -3.024 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.203 -5.279 -11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.496 -2.529 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.081 -3.503 -12.890 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.879 -5.367 -13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.951 -3.992 -13.639 1.00 0.00 H new ATOM 1666 N ALA A 110 0.936 -4.644 -10.222 1.00 0.00 N ATOM 1667 CA ALA A 110 2.122 -4.353 -9.427 1.00 0.00 C ATOM 1668 C ALA A 110 2.787 -3.060 -9.887 1.00 0.00 C ATOM 1669 O ALA A 110 3.307 -2.979 -11.000 1.00 0.00 O ATOM 1670 CB ALA A 110 3.106 -5.511 -9.504 1.00 0.00 C ATOM 0 H ALA A 110 0.936 -5.566 -10.658 1.00 0.00 H new ATOM 0 HA ALA A 110 1.812 -4.223 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.987 -5.280 -8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.634 -6.416 -9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.403 -5.668 -10.541 1.00 0.00 H new ATOM 1676 N VAL A 111 2.767 -2.050 -9.023 1.00 0.00 N ATOM 1677 CA VAL A 111 3.369 -0.760 -9.340 1.00 0.00 C ATOM 1678 C VAL A 111 4.849 -0.739 -8.975 1.00 0.00 C ATOM 1679 O VAL A 111 5.207 -0.611 -7.805 1.00 0.00 O ATOM 1680 CB VAL A 111 2.654 0.389 -8.605 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.332 1.717 -8.902 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.183 0.434 -8.991 1.00 0.00 C ATOM 0 H VAL A 111 2.340 -2.100 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 111 3.261 -0.617 -10.415 1.00 0.00 H new ATOM 0 HB VAL A 111 2.720 0.207 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.813 2.517 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.370 1.678 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.300 1.910 -9.974 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.693 1.252 -8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.094 0.591 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.707 -0.509 -8.722 1.00 0.00 H new ATOM 1692 N GLN A 112 5.704 -0.866 -9.985 1.00 0.00 N ATOM 1693 CA GLN A 112 7.146 -0.862 -9.770 1.00 0.00 C ATOM 1694 C GLN A 112 7.659 0.557 -9.548 1.00 0.00 C ATOM 1695 O GLN A 112 7.499 1.427 -10.405 1.00 0.00 O ATOM 1696 CB GLN A 112 7.863 -1.496 -10.963 1.00 0.00 C ATOM 1697 CG GLN A 112 9.370 -1.590 -10.787 1.00 0.00 C ATOM 1698 CD GLN A 112 10.009 -2.575 -11.746 1.00 0.00 C ATOM 1699 OE1 GLN A 112 10.281 -3.721 -11.387 1.00 0.00 O ATOM 1700 NE2 GLN A 112 10.252 -2.134 -12.974 1.00 0.00 N ATOM 0 H GLN A 112 5.423 -0.973 -10.960 1.00 0.00 H new ATOM 0 HA GLN A 112 7.356 -1.449 -8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.462 -2.496 -11.128 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.646 -0.914 -11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.812 -0.605 -10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.595 -1.888 -9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.010 -1.176 -13.229 1.00 0.00 H new ATOM 0 HE22 GLN A 112 10.680 -2.753 -13.663 1.00 0.00 H new ATOM 1709 N PHE A 113 8.277 0.784 -8.394 1.00 0.00 N ATOM 1710 CA PHE A 113 8.812 2.099 -8.059 1.00 0.00 C ATOM 1711 C PHE A 113 10.215 1.980 -7.471 1.00 0.00 C ATOM 1712 O PHE A 113 10.412 1.355 -6.429 1.00 0.00 O ATOM 1713 CB PHE A 113 7.890 2.812 -7.068 1.00 0.00 C ATOM 1714 CG PHE A 113 8.515 4.020 -6.431 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.512 5.243 -7.082 1.00 0.00 C ATOM 1716 CD2 PHE A 113 9.104 3.933 -5.180 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.087 6.356 -6.498 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.680 5.043 -4.590 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.670 6.256 -5.250 1.00 0.00 C ATOM 0 H PHE A 113 8.420 0.075 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 113 8.869 2.685 -8.976 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.979 3.114 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.597 2.110 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.055 5.328 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.113 2.987 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.080 7.303 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.137 4.961 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.117 7.125 -4.791 1.00 0.00 H new ATOM 1729 N ARG A 114 11.187 2.585 -8.147 1.00 0.00 N ATOM 1730 CA ARG A 114 12.572 2.546 -7.693 1.00 0.00 C ATOM 1731 C ARG A 114 12.762 3.414 -6.453 1.00 0.00 C ATOM 1732 O ARG A 114 12.421 4.597 -6.450 1.00 0.00 O ATOM 1733 CB ARG A 114 13.509 3.018 -8.807 1.00 0.00 C ATOM 1734 CG ARG A 114 14.910 2.436 -8.711 1.00 0.00 C ATOM 1735 CD ARG A 114 15.696 2.663 -9.992 1.00 0.00 C ATOM 1736 NE ARG A 114 16.882 1.813 -10.065 1.00 0.00 N ATOM 1737 CZ ARG A 114 16.850 0.537 -10.431 1.00 0.00 C ATOM 1738 NH1 ARG A 114 15.699 -0.034 -10.756 1.00 0.00 N ATOM 1739 NH2 ARG A 114 17.972 -0.171 -10.472 1.00 0.00 N ATOM 0 H ARG A 114 11.041 3.108 -9.011 1.00 0.00 H new ATOM 0 HA ARG A 114 12.815 1.515 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.078 2.749 -9.771 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.574 4.106 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.438 2.892 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.848 1.367 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.055 2.465 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.996 3.709 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 114 17.784 2.222 -9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 114 14.835 0.507 -10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 114 15.677 -1.014 -11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 114 18.860 0.265 -10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 114 17.947 -1.151 -10.753 1.00 0.00 H new ATOM 1753 N THR A 115 13.308 2.818 -5.397 1.00 0.00 N ATOM 1754 CA THR A 115 13.542 3.534 -4.150 1.00 0.00 C ATOM 1755 C THR A 115 14.616 4.602 -4.323 1.00 0.00 C ATOM 1756 O THR A 115 15.515 4.484 -5.156 1.00 0.00 O ATOM 1757 CB THR A 115 13.965 2.575 -3.022 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.996 1.696 -3.486 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.778 1.759 -2.532 1.00 0.00 C ATOM 0 H THR A 115 13.597 1.840 -5.381 1.00 0.00 H new ATOM 0 HA THR A 115 12.600 4.010 -3.877 1.00 0.00 H new ATOM 0 HB THR A 115 14.344 3.171 -2.192 1.00 0.00 H new ATOM 0 HG1 THR A 115 15.039 0.907 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.101 1.089 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.008 2.430 -2.152 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.374 1.173 -3.357 1.00 0.00 H new ATOM 1767 N PRO A 116 14.524 5.671 -3.518 1.00 0.00 N ATOM 1768 CA PRO A 116 15.481 6.780 -3.562 1.00 0.00 C ATOM 1769 C PRO A 116 16.856 6.381 -3.038 1.00 0.00 C ATOM 1770 O PRO A 116 17.166 5.196 -2.916 1.00 0.00 O ATOM 1771 CB PRO A 116 14.846 7.834 -2.651 1.00 0.00 C ATOM 1772 CG PRO A 116 13.986 7.056 -1.716 1.00 0.00 C ATOM 1773 CD PRO A 116 13.479 5.878 -2.502 1.00 0.00 C ATOM 0 HA PRO A 116 15.655 7.127 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.605 8.401 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.259 8.552 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.553 6.729 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.160 7.664 -1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.352 4.998 -1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.511 6.086 -2.958 1.00 0.00 H new ATOM 1781 N LYS A 117 17.679 7.378 -2.728 1.00 0.00 N ATOM 1782 CA LYS A 117 19.021 7.132 -2.214 1.00 0.00 C ATOM 1783 C LYS A 117 19.392 8.158 -1.149 1.00 0.00 C ATOM 1784 O LYS A 117 18.915 9.292 -1.174 1.00 0.00 O ATOM 1785 CB LYS A 117 20.041 7.172 -3.355 1.00 0.00 C ATOM 1786 CG LYS A 117 19.916 6.009 -4.324 1.00 0.00 C ATOM 1787 CD LYS A 117 20.855 4.873 -3.955 1.00 0.00 C ATOM 1788 CE LYS A 117 20.404 4.166 -2.686 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.007 4.776 -1.468 1.00 0.00 N ATOM 0 H LYS A 117 17.439 8.365 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 117 19.033 6.142 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.923 8.106 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.046 7.176 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.888 5.646 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.137 6.351 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.901 4.157 -4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.863 5.263 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 117 19.317 4.208 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 117 20.680 3.113 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.599 4.071 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.593 5.591 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 20.251 5.092 -0.828 1.00 0.00 H new ATOM 1803 N ALA A 118 20.248 7.753 -0.216 1.00 0.00 N ATOM 1804 CA ALA A 118 20.686 8.639 0.855 1.00 0.00 C ATOM 1805 C ALA A 118 21.760 9.604 0.365 1.00 0.00 C ATOM 1806 O ALA A 118 22.770 9.816 1.035 1.00 0.00 O ATOM 1807 CB ALA A 118 21.202 7.827 2.034 1.00 0.00 C ATOM 0 H ALA A 118 20.652 6.817 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 118 19.828 9.227 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.526 8.502 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.406 7.183 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.044 7.214 1.713 1.00 0.00 H new