USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 50 THR OG1 : rot -170:sc= 1.13 USER MOD Set 1.2: A 69 THR OG1 : rot -61:sc= 1.23 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 160:sc= 1.74 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= -1.07 (180deg=-2!) USER MOD Single : A 47 ASN : amide:sc= -0.0386 K(o=-0.039,f=-0.79) USER MOD Single : A 49 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.11) USER MOD Single : A 52 THR OG1 : rot 123:sc= 0.00753! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.7!) USER MOD Single : A 67 ASN : amide:sc= -3.15! C(o=-3.2!,f=-8.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 73 SER OG : rot -160:sc= -1.02 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.37) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 175:sc= -0.859 (180deg=-0.885) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.64! C(o=-1.6!,f=-11!) USER MOD Single : A 102 SER OG : rot 23:sc= 0.31 USER MOD Single : A 103 SER OG : rot -84:sc= 0.907 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -112:sc= 0.279 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -152:sc= -0.301 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.110 22.061 3.575 1.00 0.00 N ATOM 179 CA VAL A 16 -3.870 21.996 2.333 1.00 0.00 C ATOM 180 C VAL A 16 -3.853 20.587 1.751 1.00 0.00 C ATOM 181 O VAL A 16 -4.481 20.320 0.725 1.00 0.00 O ATOM 182 CB VAL A 16 -3.316 22.980 1.285 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.561 24.417 1.719 1.00 0.00 C ATOM 184 CG2 VAL A 16 -1.834 22.729 1.051 1.00 0.00 C ATOM 0 HA VAL A 16 -4.896 22.273 2.574 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.842 22.816 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.163 25.097 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.632 24.586 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.064 24.599 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.459 23.433 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.290 22.864 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.690 21.710 0.691 1.00 0.00 H new ATOM 194 N LEU A 17 -3.132 19.689 2.412 1.00 0.00 N ATOM 195 CA LEU A 17 -3.034 18.305 1.961 1.00 0.00 C ATOM 196 C LEU A 17 -4.320 17.542 2.260 1.00 0.00 C ATOM 197 O LEU A 17 -5.058 17.862 3.192 1.00 0.00 O ATOM 198 CB LEU A 17 -1.847 17.612 2.633 1.00 0.00 C ATOM 199 CG LEU A 17 -0.461 18.012 2.125 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.366 17.815 0.620 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.153 19.455 2.497 1.00 0.00 C ATOM 0 H LEU A 17 -2.607 19.894 3.262 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.880 18.310 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.892 17.814 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.961 16.535 2.507 1.00 0.00 H new ATOM 0 HG LEU A 17 0.279 17.369 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.627 18.105 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.542 16.767 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.115 18.432 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.837 19.723 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.898 20.113 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.178 19.564 3.581 1.00 0.00 H new ATOM 213 N PRO A 18 -4.595 16.506 1.454 1.00 0.00 N ATOM 214 CA PRO A 18 -5.790 15.673 1.615 1.00 0.00 C ATOM 215 C PRO A 18 -5.729 14.807 2.869 1.00 0.00 C ATOM 216 O PRO A 18 -4.710 14.178 3.151 1.00 0.00 O ATOM 217 CB PRO A 18 -5.784 14.797 0.359 1.00 0.00 C ATOM 218 CG PRO A 18 -4.355 14.739 -0.055 1.00 0.00 C ATOM 219 CD PRO A 18 -3.759 16.067 0.323 1.00 0.00 C ATOM 0 HA PRO A 18 -6.693 16.273 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.176 13.802 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.407 15.226 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.836 13.922 0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.266 14.563 -1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.712 15.970 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.798 16.775 -0.505 1.00 0.00 H new ATOM 227 N SER A 19 -6.828 14.779 3.617 1.00 0.00 N ATOM 228 CA SER A 19 -6.898 13.992 4.843 1.00 0.00 C ATOM 229 C SER A 19 -6.752 12.504 4.542 1.00 0.00 C ATOM 230 O SER A 19 -7.328 11.994 3.581 1.00 0.00 O ATOM 231 CB SER A 19 -8.221 14.251 5.565 1.00 0.00 C ATOM 232 OG SER A 19 -8.110 15.348 6.456 1.00 0.00 O ATOM 0 H SER A 19 -7.681 15.292 3.396 1.00 0.00 H new ATOM 0 HA SER A 19 -6.074 14.296 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.005 14.450 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.519 13.359 6.117 1.00 0.00 H new ATOM 0 HG SER A 19 -8.969 15.494 6.904 1.00 0.00 H new ATOM 238 N ALA A 20 -5.978 11.812 5.372 1.00 0.00 N ATOM 239 CA ALA A 20 -5.757 10.382 5.197 1.00 0.00 C ATOM 240 C ALA A 20 -7.072 9.612 5.261 1.00 0.00 C ATOM 241 O ALA A 20 -7.986 9.959 6.008 1.00 0.00 O ATOM 242 CB ALA A 20 -4.788 9.865 6.250 1.00 0.00 C ATOM 0 H ALA A 20 -5.494 12.219 6.172 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.322 10.224 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.632 8.796 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.835 10.386 6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.201 10.042 7.243 1.00 0.00 H new ATOM 248 N PRO A 21 -7.171 8.542 4.459 1.00 0.00 N ATOM 249 CA PRO A 21 -8.370 7.700 4.406 1.00 0.00 C ATOM 250 C PRO A 21 -8.563 6.885 5.680 1.00 0.00 C ATOM 251 O PRO A 21 -7.751 6.956 6.602 1.00 0.00 O ATOM 252 CB PRO A 21 -8.104 6.776 3.215 1.00 0.00 C ATOM 253 CG PRO A 21 -6.619 6.720 3.104 1.00 0.00 C ATOM 254 CD PRO A 21 -6.120 8.070 3.541 1.00 0.00 C ATOM 0 HA PRO A 21 -9.279 8.293 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.526 5.785 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.555 7.166 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.210 5.930 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.312 6.503 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.153 7.999 4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.993 8.745 2.694 1.00 0.00 H new ATOM 262 N ARG A 22 -9.643 6.112 5.725 1.00 0.00 N ATOM 263 CA ARG A 22 -9.942 5.284 6.887 1.00 0.00 C ATOM 264 C ARG A 22 -8.961 4.119 6.992 1.00 0.00 C ATOM 265 O ARG A 22 -8.065 3.973 6.160 1.00 0.00 O ATOM 266 CB ARG A 22 -11.374 4.752 6.805 1.00 0.00 C ATOM 267 CG ARG A 22 -11.554 3.641 5.784 1.00 0.00 C ATOM 268 CD ARG A 22 -12.661 2.681 6.194 1.00 0.00 C ATOM 269 NE ARG A 22 -13.222 1.971 5.048 1.00 0.00 N ATOM 270 CZ ARG A 22 -14.103 0.983 5.155 1.00 0.00 C ATOM 271 NH1 ARG A 22 -14.522 0.591 6.351 1.00 0.00 N ATOM 272 NH2 ARG A 22 -14.568 0.385 4.066 1.00 0.00 N ATOM 0 H ARG A 22 -10.325 6.042 4.970 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.841 5.903 7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.672 4.384 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.044 5.575 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.788 4.074 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.618 3.093 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.268 1.960 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.452 3.235 6.700 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.921 2.249 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.168 1.049 7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.199 -0.168 6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.249 0.684 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.245 -0.374 4.150 1.00 0.00 H new ATOM 286 N ASP A 23 -9.137 3.295 8.019 1.00 0.00 N ATOM 287 CA ASP A 23 -8.268 2.144 8.233 1.00 0.00 C ATOM 288 C ASP A 23 -8.354 1.173 7.059 1.00 0.00 C ATOM 289 O ASP A 23 -9.104 0.198 7.100 1.00 0.00 O ATOM 290 CB ASP A 23 -8.644 1.429 9.531 1.00 0.00 C ATOM 291 CG ASP A 23 -7.980 0.071 9.658 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.733 0.016 9.633 1.00 0.00 O ATOM 293 OD2 ASP A 23 -8.709 -0.935 9.781 1.00 0.00 O ATOM 0 H ASP A 23 -9.874 3.403 8.716 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.242 2.503 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.359 2.050 10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.726 1.306 9.574 1.00 0.00 H new ATOM 298 N VAL A 24 -7.581 1.448 6.013 1.00 0.00 N ATOM 299 CA VAL A 24 -7.569 0.599 4.827 1.00 0.00 C ATOM 300 C VAL A 24 -7.634 -0.876 5.207 1.00 0.00 C ATOM 301 O VAL A 24 -6.797 -1.372 5.961 1.00 0.00 O ATOM 302 CB VAL A 24 -6.310 0.843 3.975 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.290 -0.089 2.773 1.00 0.00 C ATOM 304 CG2 VAL A 24 -6.240 2.297 3.533 1.00 0.00 C ATOM 0 H VAL A 24 -6.955 2.252 5.963 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.451 0.860 4.242 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.432 0.629 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.393 0.098 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.290 -1.124 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.172 0.090 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.344 2.452 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.122 2.540 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.204 2.943 4.410 1.00 0.00 H new ATOM 314 N VAL A 25 -8.636 -1.574 4.680 1.00 0.00 N ATOM 315 CA VAL A 25 -8.810 -2.994 4.962 1.00 0.00 C ATOM 316 C VAL A 25 -8.718 -3.823 3.686 1.00 0.00 C ATOM 317 O VAL A 25 -9.313 -3.495 2.659 1.00 0.00 O ATOM 318 CB VAL A 25 -10.164 -3.269 5.644 1.00 0.00 C ATOM 319 CG1 VAL A 25 -10.227 -2.586 7.001 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.310 -2.812 4.754 1.00 0.00 C ATOM 0 H VAL A 25 -9.339 -1.179 4.056 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.006 -3.283 5.638 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.261 -4.343 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.190 -2.792 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.428 -2.966 7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.108 -1.510 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.259 -3.014 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.219 -1.742 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.274 -3.352 3.808 1.00 0.00 H new ATOM 330 N PRO A 26 -7.955 -4.924 3.750 1.00 0.00 N ATOM 331 CA PRO A 26 -7.768 -5.824 2.608 1.00 0.00 C ATOM 332 C PRO A 26 -9.035 -6.603 2.270 1.00 0.00 C ATOM 333 O PRO A 26 -9.197 -7.752 2.680 1.00 0.00 O ATOM 334 CB PRO A 26 -6.667 -6.776 3.083 1.00 0.00 C ATOM 335 CG PRO A 26 -6.770 -6.762 4.570 1.00 0.00 C ATOM 336 CD PRO A 26 -7.217 -5.376 4.941 1.00 0.00 C ATOM 0 HA PRO A 26 -7.517 -5.280 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.813 -7.780 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.684 -6.442 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.484 -7.509 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.811 -6.999 5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.851 -5.382 5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.370 -4.726 5.159 1.00 0.00 H new ATOM 344 N VAL A 27 -9.930 -5.970 1.518 1.00 0.00 N ATOM 345 CA VAL A 27 -11.182 -6.604 1.123 1.00 0.00 C ATOM 346 C VAL A 27 -10.942 -8.015 0.599 1.00 0.00 C ATOM 347 O VAL A 27 -11.657 -8.952 0.957 1.00 0.00 O ATOM 348 CB VAL A 27 -11.910 -5.783 0.042 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.547 -4.544 0.651 1.00 0.00 C ATOM 350 CG2 VAL A 27 -10.950 -5.404 -1.075 1.00 0.00 C ATOM 0 H VAL A 27 -9.811 -5.019 1.170 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.807 -6.652 2.014 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.703 -6.398 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.057 -3.977 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.267 -4.842 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.774 -3.924 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.481 -4.824 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.134 -4.807 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.546 -6.308 -1.530 1.00 0.00 H new ATOM 360 N LEU A 28 -9.931 -8.160 -0.251 1.00 0.00 N ATOM 361 CA LEU A 28 -9.595 -9.459 -0.825 1.00 0.00 C ATOM 362 C LEU A 28 -8.088 -9.690 -0.802 1.00 0.00 C ATOM 363 O LEU A 28 -7.303 -8.742 -0.804 1.00 0.00 O ATOM 364 CB LEU A 28 -10.115 -9.553 -2.260 1.00 0.00 C ATOM 365 CG LEU A 28 -10.069 -10.941 -2.901 1.00 0.00 C ATOM 366 CD1 LEU A 28 -11.369 -11.689 -2.649 1.00 0.00 C ATOM 367 CD2 LEU A 28 -9.795 -10.831 -4.394 1.00 0.00 C ATOM 0 H LEU A 28 -9.330 -7.395 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.072 -10.231 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.147 -9.202 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.536 -8.869 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.255 -11.504 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.318 -12.674 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.522 -11.800 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.200 -11.129 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.766 -11.828 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.586 -10.249 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.837 -10.337 -4.553 1.00 0.00 H new ATOM 379 N VAL A 29 -7.689 -10.959 -0.782 1.00 0.00 N ATOM 380 CA VAL A 29 -6.276 -11.316 -0.762 1.00 0.00 C ATOM 381 C VAL A 29 -6.044 -12.678 -1.406 1.00 0.00 C ATOM 382 O VAL A 29 -6.624 -13.680 -0.988 1.00 0.00 O ATOM 383 CB VAL A 29 -5.723 -11.339 0.676 1.00 0.00 C ATOM 384 CG1 VAL A 29 -6.554 -12.263 1.553 1.00 0.00 C ATOM 385 CG2 VAL A 29 -4.262 -11.761 0.677 1.00 0.00 C ATOM 0 H VAL A 29 -8.325 -11.756 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.749 -10.553 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.787 -10.332 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.148 -12.266 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.586 -11.912 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.524 -13.274 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.887 -11.772 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.171 -12.758 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.679 -11.056 0.085 1.00 0.00 H new ATOM 395 N SER A 30 -5.192 -12.707 -2.425 1.00 0.00 N ATOM 396 CA SER A 30 -4.885 -13.946 -3.130 1.00 0.00 C ATOM 397 C SER A 30 -3.518 -14.482 -2.718 1.00 0.00 C ATOM 398 O SER A 30 -2.870 -13.939 -1.823 1.00 0.00 O ATOM 399 CB SER A 30 -4.922 -13.720 -4.643 1.00 0.00 C ATOM 400 OG SER A 30 -6.218 -13.959 -5.163 1.00 0.00 O ATOM 0 H SER A 30 -4.702 -11.887 -2.781 1.00 0.00 H new ATOM 0 HA SER A 30 -5.641 -14.684 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.619 -12.697 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.204 -14.380 -5.130 1.00 0.00 H new ATOM 0 HG SER A 30 -6.306 -13.521 -6.035 1.00 0.00 H new ATOM 406 N SER A 31 -3.085 -15.552 -3.377 1.00 0.00 N ATOM 407 CA SER A 31 -1.796 -16.165 -3.077 1.00 0.00 C ATOM 408 C SER A 31 -0.693 -15.560 -3.940 1.00 0.00 C ATOM 409 O SER A 31 0.493 -15.795 -3.707 1.00 0.00 O ATOM 410 CB SER A 31 -1.862 -17.677 -3.300 1.00 0.00 C ATOM 411 OG SER A 31 -2.193 -17.980 -4.644 1.00 0.00 O ATOM 0 H SER A 31 -3.608 -16.012 -4.122 1.00 0.00 H new ATOM 0 HA SER A 31 -1.563 -15.969 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.902 -18.127 -3.048 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.604 -18.114 -2.632 1.00 0.00 H new ATOM 0 HG SER A 31 -2.227 -18.952 -4.761 1.00 0.00 H new ATOM 417 N ARG A 32 -1.092 -14.778 -4.938 1.00 0.00 N ATOM 418 CA ARG A 32 -0.139 -14.140 -5.837 1.00 0.00 C ATOM 419 C ARG A 32 -0.348 -12.629 -5.868 1.00 0.00 C ATOM 420 O ARG A 32 0.546 -11.875 -6.252 1.00 0.00 O ATOM 421 CB ARG A 32 -0.274 -14.713 -7.249 1.00 0.00 C ATOM 422 CG ARG A 32 0.986 -14.573 -8.087 1.00 0.00 C ATOM 423 CD ARG A 32 0.695 -14.760 -9.568 1.00 0.00 C ATOM 424 NE ARG A 32 0.760 -16.164 -9.966 1.00 0.00 N ATOM 425 CZ ARG A 32 0.377 -16.608 -11.157 1.00 0.00 C ATOM 426 NH1 ARG A 32 -0.096 -15.764 -12.063 1.00 0.00 N ATOM 427 NH2 ARG A 32 0.467 -17.901 -11.445 1.00 0.00 N ATOM 0 H ARG A 32 -2.069 -14.571 -5.144 1.00 0.00 H new ATOM 0 HA ARG A 32 0.865 -14.343 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.539 -15.768 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.096 -14.211 -7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.426 -13.589 -7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.722 -15.309 -7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.295 -14.364 -9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.411 -14.184 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 32 1.119 -16.840 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.167 -14.770 -11.846 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.389 -16.109 -12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.831 -18.554 -10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.172 -18.241 -12.360 1.00 0.00 H new ATOM 441 N PHE A 33 -1.536 -12.193 -5.461 1.00 0.00 N ATOM 442 CA PHE A 33 -1.864 -10.772 -5.444 1.00 0.00 C ATOM 443 C PHE A 33 -2.780 -10.440 -4.270 1.00 0.00 C ATOM 444 O PHE A 33 -3.288 -11.333 -3.591 1.00 0.00 O ATOM 445 CB PHE A 33 -2.532 -10.365 -6.758 1.00 0.00 C ATOM 446 CG PHE A 33 -3.953 -10.837 -6.880 1.00 0.00 C ATOM 447 CD1 PHE A 33 -4.965 -10.221 -6.161 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.277 -11.896 -7.712 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.273 -10.654 -6.271 1.00 0.00 C ATOM 450 CE2 PHE A 33 -5.583 -12.333 -7.826 1.00 0.00 C ATOM 451 CZ PHE A 33 -6.583 -11.710 -7.105 1.00 0.00 C ATOM 0 H PHE A 33 -2.287 -12.803 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.936 -10.212 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.510 -9.279 -6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.952 -10.765 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.729 -9.394 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.499 -12.386 -8.279 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.053 -10.166 -5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.821 -13.160 -8.478 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.605 -12.048 -7.193 1.00 0.00 H new ATOM 461 N VAL A 34 -2.988 -9.148 -4.035 1.00 0.00 N ATOM 462 CA VAL A 34 -3.843 -8.696 -2.944 1.00 0.00 C ATOM 463 C VAL A 34 -4.605 -7.434 -3.330 1.00 0.00 C ATOM 464 O VAL A 34 -4.092 -6.585 -4.059 1.00 0.00 O ATOM 465 CB VAL A 34 -3.026 -8.419 -1.668 1.00 0.00 C ATOM 466 CG1 VAL A 34 -3.945 -8.036 -0.519 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.180 -9.630 -1.305 1.00 0.00 C ATOM 0 H VAL A 34 -2.575 -8.395 -4.586 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.553 -9.499 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.356 -7.581 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.350 -7.844 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.503 -7.138 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.641 -8.851 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.609 -9.417 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.829 -10.488 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.495 -9.853 -2.123 1.00 0.00 H new ATOM 477 N ARG A 35 -5.834 -7.317 -2.836 1.00 0.00 N ATOM 478 CA ARG A 35 -6.668 -6.158 -3.130 1.00 0.00 C ATOM 479 C ARG A 35 -6.971 -5.370 -1.859 1.00 0.00 C ATOM 480 O ARG A 35 -7.181 -5.948 -0.792 1.00 0.00 O ATOM 481 CB ARG A 35 -7.975 -6.598 -3.793 1.00 0.00 C ATOM 482 CG ARG A 35 -8.730 -5.463 -4.464 1.00 0.00 C ATOM 483 CD ARG A 35 -10.180 -5.838 -4.727 1.00 0.00 C ATOM 484 NE ARG A 35 -10.311 -6.762 -5.851 1.00 0.00 N ATOM 485 CZ ARG A 35 -11.458 -7.329 -6.207 1.00 0.00 C ATOM 486 NH1 ARG A 35 -12.568 -7.067 -5.530 1.00 0.00 N ATOM 487 NH2 ARG A 35 -11.497 -8.159 -7.241 1.00 0.00 N ATOM 0 H ARG A 35 -6.274 -8.010 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.120 -5.512 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.756 -7.366 -4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.618 -7.056 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.691 -4.575 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.243 -5.206 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.605 -6.293 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.757 -4.936 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.475 -6.984 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.542 -6.429 -4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.448 -7.503 -5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.645 -8.363 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.379 -8.594 -7.513 1.00 0.00 H new ATOM 501 N LEU A 36 -6.991 -4.047 -1.980 1.00 0.00 N ATOM 502 CA LEU A 36 -7.267 -3.179 -0.841 1.00 0.00 C ATOM 503 C LEU A 36 -8.332 -2.144 -1.191 1.00 0.00 C ATOM 504 O LEU A 36 -8.295 -1.538 -2.262 1.00 0.00 O ATOM 505 CB LEU A 36 -5.986 -2.476 -0.388 1.00 0.00 C ATOM 506 CG LEU A 36 -4.742 -3.357 -0.274 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.480 -2.520 -0.417 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.738 -4.108 1.050 1.00 0.00 C ATOM 0 H LEU A 36 -6.819 -3.552 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.642 -3.798 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.772 -1.668 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.171 -2.016 0.583 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.763 -4.087 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.605 -3.164 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.477 -2.029 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.452 -1.766 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.845 -4.730 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.742 -3.394 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.625 -4.739 1.113 1.00 0.00 H new ATOM 520 N SER A 37 -9.278 -1.945 -0.279 1.00 0.00 N ATOM 521 CA SER A 37 -10.355 -0.984 -0.492 1.00 0.00 C ATOM 522 C SER A 37 -10.331 0.104 0.577 1.00 0.00 C ATOM 523 O SER A 37 -10.251 -0.186 1.771 1.00 0.00 O ATOM 524 CB SER A 37 -11.710 -1.694 -0.483 1.00 0.00 C ATOM 525 OG SER A 37 -12.768 -0.776 -0.692 1.00 0.00 O ATOM 0 H SER A 37 -9.321 -2.436 0.614 1.00 0.00 H new ATOM 0 HA SER A 37 -10.204 -0.517 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.729 -2.458 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.850 -2.205 0.470 1.00 0.00 H new ATOM 0 HG SER A 37 -13.623 -1.255 -0.684 1.00 0.00 H new ATOM 531 N TRP A 38 -10.400 1.356 0.140 1.00 0.00 N ATOM 532 CA TRP A 38 -10.386 2.488 1.059 1.00 0.00 C ATOM 533 C TRP A 38 -11.394 3.549 0.630 1.00 0.00 C ATOM 534 O TRP A 38 -12.030 3.427 -0.417 1.00 0.00 O ATOM 535 CB TRP A 38 -8.985 3.097 1.129 1.00 0.00 C ATOM 536 CG TRP A 38 -8.485 3.592 -0.194 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.674 4.835 -0.728 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.715 2.855 -1.149 1.00 0.00 C ATOM 539 NE1 TRP A 38 -8.068 4.914 -1.959 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.472 3.713 -2.240 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.205 1.554 -1.189 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.743 3.310 -3.356 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.483 1.156 -2.298 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.257 2.031 -3.368 1.00 0.00 C ATOM 0 H TRP A 38 -10.466 1.613 -0.845 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.666 2.125 2.048 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.991 3.924 1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -8.291 2.350 1.515 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.219 5.637 -0.253 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.063 5.734 -2.565 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.372 0.872 -0.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.568 3.983 -4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.086 0.153 -2.340 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.688 1.689 -4.220 1.00 0.00 H new ATOM 555 N ARG A 39 -11.533 4.590 1.444 1.00 0.00 N ATOM 556 CA ARG A 39 -12.465 5.672 1.149 1.00 0.00 C ATOM 557 C ARG A 39 -11.719 6.921 0.689 1.00 0.00 C ATOM 558 O ARG A 39 -10.563 7.150 1.045 1.00 0.00 O ATOM 559 CB ARG A 39 -13.312 5.996 2.381 1.00 0.00 C ATOM 560 CG ARG A 39 -12.577 6.820 3.425 1.00 0.00 C ATOM 561 CD ARG A 39 -13.545 7.484 4.392 1.00 0.00 C ATOM 562 NE ARG A 39 -14.394 6.509 5.072 1.00 0.00 N ATOM 563 CZ ARG A 39 -15.235 6.824 6.051 1.00 0.00 C ATOM 564 NH1 ARG A 39 -15.340 8.080 6.462 1.00 0.00 N ATOM 565 NH2 ARG A 39 -15.974 5.880 6.621 1.00 0.00 N ATOM 0 H ARG A 39 -11.012 4.707 2.313 1.00 0.00 H new ATOM 0 HA ARG A 39 -13.121 5.343 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -14.205 6.537 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.648 5.064 2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.890 6.180 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.974 7.582 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.984 8.055 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.170 8.193 3.849 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.338 5.533 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.774 8.808 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.987 8.318 7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.896 4.913 6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.620 6.122 7.373 1.00 0.00 H new ATOM 579 N PRO A 40 -12.394 7.750 -0.122 1.00 0.00 N ATOM 580 CA PRO A 40 -11.815 8.989 -0.648 1.00 0.00 C ATOM 581 C PRO A 40 -11.625 10.046 0.436 1.00 0.00 C ATOM 582 O PRO A 40 -12.331 10.069 1.444 1.00 0.00 O ATOM 583 CB PRO A 40 -12.850 9.456 -1.675 1.00 0.00 C ATOM 584 CG PRO A 40 -14.135 8.857 -1.218 1.00 0.00 C ATOM 585 CD PRO A 40 -13.776 7.540 -0.586 1.00 0.00 C ATOM 0 HA PRO A 40 -10.821 8.829 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.911 10.544 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.591 9.119 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.637 9.509 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.819 8.715 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.444 7.295 0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.840 6.720 -1.302 1.00 0.00 H new ATOM 593 N PRO A 41 -10.651 10.943 0.224 1.00 0.00 N ATOM 594 CA PRO A 41 -10.347 12.019 1.172 1.00 0.00 C ATOM 595 C PRO A 41 -11.444 13.077 1.219 1.00 0.00 C ATOM 596 O PRO A 41 -11.637 13.828 0.263 1.00 0.00 O ATOM 597 CB PRO A 41 -9.050 12.619 0.623 1.00 0.00 C ATOM 598 CG PRO A 41 -9.071 12.301 -0.833 1.00 0.00 C ATOM 599 CD PRO A 41 -9.771 10.975 -0.956 1.00 0.00 C ATOM 0 HA PRO A 41 -10.263 11.650 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.009 13.695 0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.176 12.186 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.597 13.074 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.060 12.247 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.340 10.905 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.064 10.145 -0.953 1.00 0.00 H new ATOM 607 N ALA A 42 -12.160 13.130 2.338 1.00 0.00 N ATOM 608 CA ALA A 42 -13.237 14.098 2.510 1.00 0.00 C ATOM 609 C ALA A 42 -12.887 15.430 1.857 1.00 0.00 C ATOM 610 O ALA A 42 -13.718 16.038 1.182 1.00 0.00 O ATOM 611 CB ALA A 42 -13.537 14.295 3.989 1.00 0.00 C ATOM 0 H ALA A 42 -12.014 12.515 3.138 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.127 13.706 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.343 15.020 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.839 13.344 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.644 14.662 4.496 1.00 0.00 H new ATOM 617 N GLU A 43 -11.652 15.879 2.062 1.00 0.00 N ATOM 618 CA GLU A 43 -11.195 17.141 1.493 1.00 0.00 C ATOM 619 C GLU A 43 -9.828 16.977 0.833 1.00 0.00 C ATOM 620 O GLU A 43 -8.894 16.452 1.438 1.00 0.00 O ATOM 621 CB GLU A 43 -11.123 18.219 2.577 1.00 0.00 C ATOM 622 CG GLU A 43 -10.738 17.681 3.945 1.00 0.00 C ATOM 623 CD GLU A 43 -11.938 17.227 4.753 1.00 0.00 C ATOM 624 OE1 GLU A 43 -13.071 17.615 4.400 1.00 0.00 O ATOM 625 OE2 GLU A 43 -11.744 16.484 5.738 1.00 0.00 O ATOM 0 H GLU A 43 -10.951 15.388 2.617 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.913 17.448 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.399 18.977 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.091 18.714 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.050 16.844 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.204 18.454 4.498 1.00 0.00 H new ATOM 632 N ALA A 44 -9.721 17.430 -0.412 1.00 0.00 N ATOM 633 CA ALA A 44 -8.470 17.334 -1.154 1.00 0.00 C ATOM 634 C ALA A 44 -8.089 18.680 -1.761 1.00 0.00 C ATOM 635 O ALA A 44 -7.200 18.761 -2.609 1.00 0.00 O ATOM 636 CB ALA A 44 -8.580 16.275 -2.240 1.00 0.00 C ATOM 0 H ALA A 44 -10.485 17.867 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.684 17.043 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.638 16.214 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.799 15.309 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.382 16.542 -2.928 1.00 0.00 H new ATOM 642 N LYS A 45 -8.767 19.735 -1.323 1.00 0.00 N ATOM 643 CA LYS A 45 -8.499 21.079 -1.823 1.00 0.00 C ATOM 644 C LYS A 45 -8.304 21.068 -3.335 1.00 0.00 C ATOM 645 O LYS A 45 -7.419 21.741 -3.862 1.00 0.00 O ATOM 646 CB LYS A 45 -7.258 21.661 -1.142 1.00 0.00 C ATOM 647 CG LYS A 45 -7.568 22.431 0.130 1.00 0.00 C ATOM 648 CD LYS A 45 -7.509 21.533 1.355 1.00 0.00 C ATOM 649 CE LYS A 45 -8.866 20.918 1.660 1.00 0.00 C ATOM 650 NZ LYS A 45 -9.053 20.682 3.118 1.00 0.00 N ATOM 0 H LYS A 45 -9.507 19.686 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.361 21.705 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.569 20.850 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.746 22.322 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.857 23.249 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.559 22.878 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.778 20.741 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.168 22.110 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.654 21.577 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.966 19.974 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.069 20.658 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.620 19.773 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.600 21.449 3.655 1.00 0.00 H new ATOM 664 N GLY A 46 -9.137 20.299 -4.030 1.00 0.00 N ATOM 665 CA GLY A 46 -9.039 20.216 -5.475 1.00 0.00 C ATOM 666 C GLY A 46 -9.371 18.833 -6.001 1.00 0.00 C ATOM 667 O GLY A 46 -10.320 18.200 -5.543 1.00 0.00 O ATOM 0 H GLY A 46 -9.878 19.732 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.715 20.944 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.029 20.486 -5.784 1.00 0.00 H new ATOM 671 N ASN A 47 -8.586 18.365 -6.966 1.00 0.00 N ATOM 672 CA ASN A 47 -8.802 17.049 -7.556 1.00 0.00 C ATOM 673 C ASN A 47 -7.542 16.194 -7.457 1.00 0.00 C ATOM 674 O ASN A 47 -6.436 16.670 -7.714 1.00 0.00 O ATOM 675 CB ASN A 47 -9.225 17.187 -9.020 1.00 0.00 C ATOM 676 CG ASN A 47 -9.679 15.869 -9.617 1.00 0.00 C ATOM 677 OD1 ASN A 47 -8.869 14.978 -9.872 1.00 0.00 O ATOM 678 ND2 ASN A 47 -10.982 15.739 -9.843 1.00 0.00 N ATOM 0 H ASN A 47 -7.795 18.877 -7.356 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.599 16.555 -6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.033 17.914 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.390 17.578 -9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.346 14.874 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.618 16.504 -9.616 1.00 0.00 H new ATOM 685 N ILE A 48 -7.718 14.932 -7.084 1.00 0.00 N ATOM 686 CA ILE A 48 -6.596 14.011 -6.953 1.00 0.00 C ATOM 687 C ILE A 48 -6.490 13.097 -8.169 1.00 0.00 C ATOM 688 O ILE A 48 -7.475 12.489 -8.588 1.00 0.00 O ATOM 689 CB ILE A 48 -6.722 13.146 -5.684 1.00 0.00 C ATOM 690 CG1 ILE A 48 -6.684 14.028 -4.434 1.00 0.00 C ATOM 691 CG2 ILE A 48 -5.612 12.107 -5.639 1.00 0.00 C ATOM 692 CD1 ILE A 48 -6.733 13.245 -3.141 1.00 0.00 C ATOM 0 H ILE A 48 -8.627 14.523 -6.867 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.695 14.620 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.679 12.626 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.775 14.629 -4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.525 14.721 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.715 11.504 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.681 11.463 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.644 12.609 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.702 13.934 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.655 12.664 -3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.877 12.572 -3.091 1.00 0.00 H new ATOM 704 N GLN A 49 -5.289 13.003 -8.730 1.00 0.00 N ATOM 705 CA GLN A 49 -5.054 12.162 -9.897 1.00 0.00 C ATOM 706 C GLN A 49 -5.334 10.697 -9.578 1.00 0.00 C ATOM 707 O GLN A 49 -6.133 10.045 -10.251 1.00 0.00 O ATOM 708 CB GLN A 49 -3.614 12.323 -10.387 1.00 0.00 C ATOM 709 CG GLN A 49 -3.245 13.757 -10.730 1.00 0.00 C ATOM 710 CD GLN A 49 -4.297 14.443 -11.580 1.00 0.00 C ATOM 711 OE1 GLN A 49 -4.292 14.329 -12.806 1.00 0.00 O ATOM 712 NE2 GLN A 49 -5.206 15.162 -10.932 1.00 0.00 N ATOM 0 H GLN A 49 -4.463 13.499 -8.395 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.736 12.480 -10.685 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.934 11.956 -9.618 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.467 11.698 -11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.103 14.322 -9.809 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.292 13.766 -11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.173 15.229 -9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.938 15.647 -11.451 1.00 0.00 H new ATOM 721 N THR A 50 -4.672 10.184 -8.545 1.00 0.00 N ATOM 722 CA THR A 50 -4.848 8.797 -8.137 1.00 0.00 C ATOM 723 C THR A 50 -4.211 8.538 -6.776 1.00 0.00 C ATOM 724 O THR A 50 -3.685 9.453 -6.143 1.00 0.00 O ATOM 725 CB THR A 50 -4.240 7.826 -9.168 1.00 0.00 C ATOM 726 OG1 THR A 50 -4.735 6.501 -8.945 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.722 7.827 -9.082 1.00 0.00 C ATOM 0 H THR A 50 -4.009 10.710 -7.976 1.00 0.00 H new ATOM 0 HA THR A 50 -5.922 8.622 -8.072 1.00 0.00 H new ATOM 0 HB THR A 50 -4.532 8.159 -10.164 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.230 5.866 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.315 7.134 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.347 8.831 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.414 7.517 -8.084 1.00 0.00 H new ATOM 735 N PHE A 51 -4.263 7.287 -6.332 1.00 0.00 N ATOM 736 CA PHE A 51 -3.691 6.909 -5.045 1.00 0.00 C ATOM 737 C PHE A 51 -2.503 5.969 -5.233 1.00 0.00 C ATOM 738 O PHE A 51 -2.521 5.090 -6.095 1.00 0.00 O ATOM 739 CB PHE A 51 -4.751 6.239 -4.169 1.00 0.00 C ATOM 740 CG PHE A 51 -5.890 7.148 -3.805 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.805 7.552 -4.765 1.00 0.00 C ATOM 742 CD2 PHE A 51 -6.046 7.599 -2.505 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.853 8.389 -4.433 1.00 0.00 C ATOM 744 CE2 PHE A 51 -7.093 8.436 -2.167 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.998 8.831 -3.132 1.00 0.00 C ATOM 0 H PHE A 51 -4.695 6.518 -6.844 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.341 7.815 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.145 5.368 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.280 5.877 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.697 7.209 -5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.341 7.293 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.559 8.698 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.203 8.781 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.817 9.484 -2.870 1.00 0.00 H new ATOM 755 N THR A 52 -1.469 6.163 -4.420 1.00 0.00 N ATOM 756 CA THR A 52 -0.271 5.335 -4.497 1.00 0.00 C ATOM 757 C THR A 52 -0.346 4.168 -3.519 1.00 0.00 C ATOM 758 O THR A 52 -0.906 4.292 -2.430 1.00 0.00 O ATOM 759 CB THR A 52 0.998 6.156 -4.202 1.00 0.00 C ATOM 760 OG1 THR A 52 1.024 7.330 -5.023 1.00 0.00 O ATOM 761 CG2 THR A 52 2.249 5.328 -4.454 1.00 0.00 C ATOM 0 H THR A 52 -1.437 6.886 -3.701 1.00 0.00 H new ATOM 0 HA THR A 52 -0.217 4.950 -5.515 1.00 0.00 H new ATOM 0 HB THR A 52 0.979 6.447 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.091 8.125 -4.454 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.133 5.929 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.241 4.450 -3.808 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.271 5.010 -5.496 1.00 0.00 H new ATOM 769 N VAL A 53 0.223 3.034 -3.915 1.00 0.00 N ATOM 770 CA VAL A 53 0.222 1.844 -3.072 1.00 0.00 C ATOM 771 C VAL A 53 1.611 1.220 -3.000 1.00 0.00 C ATOM 772 O VAL A 53 2.117 0.689 -3.989 1.00 0.00 O ATOM 773 CB VAL A 53 -0.775 0.790 -3.589 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.737 -0.455 -2.717 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.181 1.369 -3.644 1.00 0.00 C ATOM 0 H VAL A 53 0.690 2.914 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.082 2.163 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.483 0.505 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.448 -1.188 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.266 -0.880 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.002 -0.190 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.873 0.611 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.484 1.683 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.195 2.228 -4.315 1.00 0.00 H new ATOM 785 N PHE A 54 2.224 1.288 -1.823 1.00 0.00 N ATOM 786 CA PHE A 54 3.557 0.731 -1.621 1.00 0.00 C ATOM 787 C PHE A 54 3.475 -0.673 -1.029 1.00 0.00 C ATOM 788 O PHE A 54 2.569 -0.980 -0.254 1.00 0.00 O ATOM 789 CB PHE A 54 4.378 1.637 -0.702 1.00 0.00 C ATOM 790 CG PHE A 54 4.707 2.970 -1.313 1.00 0.00 C ATOM 791 CD1 PHE A 54 5.812 3.117 -2.135 1.00 0.00 C ATOM 792 CD2 PHE A 54 3.910 4.076 -1.063 1.00 0.00 C ATOM 793 CE1 PHE A 54 6.117 4.342 -2.699 1.00 0.00 C ATOM 794 CE2 PHE A 54 4.210 5.303 -1.624 1.00 0.00 C ATOM 795 CZ PHE A 54 5.315 5.436 -2.442 1.00 0.00 C ATOM 0 H PHE A 54 1.819 1.723 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 54 4.049 0.669 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.827 1.797 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.305 1.129 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.443 2.264 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.045 3.978 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.981 4.443 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.581 6.157 -1.423 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.551 6.395 -2.880 1.00 0.00 H new ATOM 805 N PHE A 55 4.427 -1.522 -1.400 1.00 0.00 N ATOM 806 CA PHE A 55 4.463 -2.894 -0.908 1.00 0.00 C ATOM 807 C PHE A 55 5.898 -3.409 -0.836 1.00 0.00 C ATOM 808 O PHE A 55 6.621 -3.402 -1.832 1.00 0.00 O ATOM 809 CB PHE A 55 3.627 -3.804 -1.810 1.00 0.00 C ATOM 810 CG PHE A 55 3.967 -3.679 -3.267 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.475 -2.624 -4.019 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.778 -4.617 -3.886 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.786 -2.507 -5.361 1.00 0.00 C ATOM 814 CE2 PHE A 55 5.092 -4.505 -5.227 1.00 0.00 C ATOM 815 CZ PHE A 55 4.596 -3.448 -5.965 1.00 0.00 C ATOM 0 H PHE A 55 5.184 -1.284 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 55 4.041 -2.904 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.768 -4.839 -1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.572 -3.571 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.841 -1.885 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.169 -5.445 -3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.396 -1.680 -5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.725 -5.243 -5.698 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.841 -3.358 -7.013 1.00 0.00 H new ATOM 825 N SER A 56 6.303 -3.853 0.349 1.00 0.00 N ATOM 826 CA SER A 56 7.652 -4.368 0.553 1.00 0.00 C ATOM 827 C SER A 56 7.621 -5.679 1.332 1.00 0.00 C ATOM 828 O SER A 56 6.789 -5.867 2.219 1.00 0.00 O ATOM 829 CB SER A 56 8.506 -3.339 1.297 1.00 0.00 C ATOM 830 OG SER A 56 7.957 -3.046 2.570 1.00 0.00 O ATOM 0 H SER A 56 5.716 -3.867 1.183 1.00 0.00 H new ATOM 0 HA SER A 56 8.094 -4.558 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.521 -3.720 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.575 -2.425 0.708 1.00 0.00 H new ATOM 0 HG SER A 56 8.522 -2.388 3.026 1.00 0.00 H new ATOM 836 N ARG A 57 8.535 -6.583 0.993 1.00 0.00 N ATOM 837 CA ARG A 57 8.613 -7.877 1.659 1.00 0.00 C ATOM 838 C ARG A 57 9.223 -7.737 3.050 1.00 0.00 C ATOM 839 O ARG A 57 10.336 -7.234 3.202 1.00 0.00 O ATOM 840 CB ARG A 57 9.441 -8.856 0.823 1.00 0.00 C ATOM 841 CG ARG A 57 9.811 -10.129 1.566 1.00 0.00 C ATOM 842 CD ARG A 57 9.937 -11.311 0.617 1.00 0.00 C ATOM 843 NE ARG A 57 11.248 -11.358 -0.026 1.00 0.00 N ATOM 844 CZ ARG A 57 11.780 -12.467 -0.528 1.00 0.00 C ATOM 845 NH1 ARG A 57 11.117 -13.613 -0.463 1.00 0.00 N ATOM 846 NH2 ARG A 57 12.978 -12.430 -1.098 1.00 0.00 N ATOM 0 H ARG A 57 9.231 -6.443 0.261 1.00 0.00 H new ATOM 0 HA ARG A 57 7.600 -8.265 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.881 -9.119 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.354 -8.359 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.753 -9.983 2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.054 -10.345 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.769 -12.237 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.161 -11.248 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 57 11.784 -10.493 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.196 -13.645 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.528 -14.463 -0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.491 -11.550 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.386 -13.282 -1.483 1.00 0.00 H new ATOM 860 N GLU A 58 8.487 -8.186 4.062 1.00 0.00 N ATOM 861 CA GLU A 58 8.956 -8.108 5.440 1.00 0.00 C ATOM 862 C GLU A 58 10.405 -8.575 5.549 1.00 0.00 C ATOM 863 O GLU A 58 10.675 -9.762 5.727 1.00 0.00 O ATOM 864 CB GLU A 58 8.067 -8.954 6.354 1.00 0.00 C ATOM 865 CG GLU A 58 6.922 -8.176 6.980 1.00 0.00 C ATOM 866 CD GLU A 58 6.481 -8.756 8.310 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.361 -9.995 8.407 1.00 0.00 O ATOM 868 OE2 GLU A 58 6.256 -7.970 9.254 1.00 0.00 O ATOM 0 H GLU A 58 7.564 -8.607 3.953 1.00 0.00 H new ATOM 0 HA GLU A 58 8.903 -7.066 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.659 -9.786 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.680 -9.383 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.227 -7.140 7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.076 -8.167 6.293 1.00 0.00 H new ATOM 875 N GLY A 59 11.335 -7.630 5.440 1.00 0.00 N ATOM 876 CA GLY A 59 12.744 -7.964 5.527 1.00 0.00 C ATOM 877 C GLY A 59 13.618 -6.994 4.757 1.00 0.00 C ATOM 878 O GLY A 59 14.699 -6.623 5.215 1.00 0.00 O ATOM 0 H GLY A 59 11.137 -6.640 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.049 -7.971 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.900 -8.972 5.143 1.00 0.00 H new ATOM 882 N ASP A 60 13.151 -6.583 3.583 1.00 0.00 N ATOM 883 CA ASP A 60 13.898 -5.651 2.746 1.00 0.00 C ATOM 884 C ASP A 60 13.890 -4.251 3.352 1.00 0.00 C ATOM 885 O ASP A 60 13.231 -4.005 4.361 1.00 0.00 O ATOM 886 CB ASP A 60 13.308 -5.613 1.336 1.00 0.00 C ATOM 887 CG ASP A 60 14.316 -5.159 0.299 1.00 0.00 C ATOM 888 OD1 ASP A 60 15.229 -5.946 -0.024 1.00 0.00 O ATOM 889 OD2 ASP A 60 14.191 -4.016 -0.190 1.00 0.00 O ATOM 0 H ASP A 60 12.258 -6.881 3.189 1.00 0.00 H new ATOM 0 HA ASP A 60 14.930 -5.998 2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.941 -6.605 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.450 -4.941 1.322 1.00 0.00 H new ATOM 894 N ASN A 61 14.628 -3.338 2.729 1.00 0.00 N ATOM 895 CA ASN A 61 14.707 -1.963 3.208 1.00 0.00 C ATOM 896 C ASN A 61 13.886 -1.030 2.323 1.00 0.00 C ATOM 897 O ASN A 61 13.291 -0.066 2.803 1.00 0.00 O ATOM 898 CB ASN A 61 16.164 -1.497 3.246 1.00 0.00 C ATOM 899 CG ASN A 61 16.372 -0.325 4.185 1.00 0.00 C ATOM 900 OD1 ASN A 61 15.554 -0.070 5.069 1.00 0.00 O ATOM 901 ND2 ASN A 61 17.472 0.396 3.997 1.00 0.00 N ATOM 0 H ASN A 61 15.180 -3.525 1.892 1.00 0.00 H new ATOM 0 HA ASN A 61 14.296 -1.932 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.800 -2.326 3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 61 16.478 -1.214 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.666 1.197 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.123 0.148 3.252 1.00 0.00 H new ATOM 908 N ARG A 62 13.859 -1.325 1.027 1.00 0.00 N ATOM 909 CA ARG A 62 13.111 -0.513 0.074 1.00 0.00 C ATOM 910 C ARG A 62 11.711 -1.080 -0.143 1.00 0.00 C ATOM 911 O ARG A 62 11.351 -2.105 0.435 1.00 0.00 O ATOM 912 CB ARG A 62 13.856 -0.440 -1.260 1.00 0.00 C ATOM 913 CG ARG A 62 15.217 0.228 -1.162 1.00 0.00 C ATOM 914 CD ARG A 62 16.081 -0.087 -2.373 1.00 0.00 C ATOM 915 NE ARG A 62 16.731 -1.389 -2.258 1.00 0.00 N ATOM 916 CZ ARG A 62 17.412 -1.961 -3.245 1.00 0.00 C ATOM 917 NH1 ARG A 62 17.530 -1.348 -4.415 1.00 0.00 N ATOM 918 NH2 ARG A 62 17.975 -3.149 -3.063 1.00 0.00 N ATOM 0 H ARG A 62 14.346 -2.120 0.613 1.00 0.00 H new ATOM 0 HA ARG A 62 13.017 0.492 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.984 -1.449 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.244 0.105 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.089 1.307 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.723 -0.106 -0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.465 -0.067 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.839 0.688 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 62 16.658 -1.887 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.097 -0.435 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.053 -1.789 -5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.885 -3.624 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.498 -3.587 -3.821 1.00 0.00 H new ATOM 932 N GLU A 63 10.928 -0.405 -0.978 1.00 0.00 N ATOM 933 CA GLU A 63 9.567 -0.841 -1.269 1.00 0.00 C ATOM 934 C GLU A 63 9.163 -0.453 -2.688 1.00 0.00 C ATOM 935 O GLU A 63 9.663 0.527 -3.241 1.00 0.00 O ATOM 936 CB GLU A 63 8.587 -0.233 -0.264 1.00 0.00 C ATOM 937 CG GLU A 63 8.293 1.237 -0.513 1.00 0.00 C ATOM 938 CD GLU A 63 9.224 2.156 0.255 1.00 0.00 C ATOM 939 OE1 GLU A 63 9.024 2.316 1.477 1.00 0.00 O ATOM 940 OE2 GLU A 63 10.152 2.714 -0.367 1.00 0.00 O ATOM 0 H GLU A 63 11.212 0.445 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 63 9.535 -1.927 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.652 -0.792 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.992 -0.349 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.380 1.446 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.262 1.451 -0.230 1.00 0.00 H new ATOM 947 N ARG A 64 8.257 -1.229 -3.273 1.00 0.00 N ATOM 948 CA ARG A 64 7.787 -0.968 -4.628 1.00 0.00 C ATOM 949 C ARG A 64 6.730 0.133 -4.634 1.00 0.00 C ATOM 950 O ARG A 64 6.133 0.440 -3.603 1.00 0.00 O ATOM 951 CB ARG A 64 7.212 -2.244 -5.246 1.00 0.00 C ATOM 952 CG ARG A 64 8.273 -3.194 -5.778 1.00 0.00 C ATOM 953 CD ARG A 64 8.770 -2.762 -7.148 1.00 0.00 C ATOM 954 NE ARG A 64 9.844 -1.777 -7.056 1.00 0.00 N ATOM 955 CZ ARG A 64 11.048 -2.046 -6.563 1.00 0.00 C ATOM 956 NH1 ARG A 64 11.330 -3.264 -6.122 1.00 0.00 N ATOM 957 NH2 ARG A 64 11.973 -1.095 -6.512 1.00 0.00 N ATOM 0 H ARG A 64 7.833 -2.044 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 64 8.638 -0.635 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.614 -2.763 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.539 -1.973 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.110 -3.233 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.863 -4.202 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.125 -3.635 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.941 -2.342 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 64 9.660 -0.830 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.622 -3.997 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.255 -3.468 -5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.759 -0.157 -6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.897 -1.302 -6.133 1.00 0.00 H new ATOM 971 N ALA A 65 6.505 0.723 -5.804 1.00 0.00 N ATOM 972 CA ALA A 65 5.520 1.788 -5.945 1.00 0.00 C ATOM 973 C ALA A 65 4.559 1.498 -7.092 1.00 0.00 C ATOM 974 O ALA A 65 4.968 1.031 -8.156 1.00 0.00 O ATOM 975 CB ALA A 65 6.215 3.124 -6.161 1.00 0.00 C ATOM 0 H ALA A 65 6.992 0.481 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 65 4.940 1.837 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.467 3.910 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.856 3.343 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.820 3.077 -7.066 1.00 0.00 H new ATOM 981 N LEU A 66 3.279 1.777 -6.870 1.00 0.00 N ATOM 982 CA LEU A 66 2.258 1.546 -7.886 1.00 0.00 C ATOM 983 C LEU A 66 1.038 2.429 -7.644 1.00 0.00 C ATOM 984 O LEU A 66 0.340 2.278 -6.643 1.00 0.00 O ATOM 985 CB LEU A 66 1.842 0.074 -7.893 1.00 0.00 C ATOM 986 CG LEU A 66 0.810 -0.327 -8.948 1.00 0.00 C ATOM 987 CD1 LEU A 66 1.428 -0.301 -10.337 1.00 0.00 C ATOM 988 CD2 LEU A 66 0.241 -1.705 -8.641 1.00 0.00 C ATOM 0 H LEU A 66 2.924 2.163 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 66 2.682 1.803 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.735 -0.534 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.442 -0.175 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.006 0.395 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.679 -0.589 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.786 0.705 -10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.263 -1.000 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.492 -1.974 -9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.047 -2.439 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.240 -1.690 -7.663 1.00 0.00 H new ATOM 1000 N ASN A 67 0.788 3.350 -8.569 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.348 4.257 -8.456 1.00 0.00 C ATOM 1002 C ASN A 67 -1.221 4.193 -9.706 1.00 0.00 C ATOM 1003 O ASN A 67 -0.809 4.615 -10.787 1.00 0.00 O ATOM 1004 CB ASN A 67 0.137 5.691 -8.232 1.00 0.00 C ATOM 1005 CG ASN A 67 0.530 6.377 -9.526 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -0.076 7.373 -9.922 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.549 5.846 -10.191 1.00 0.00 N ATOM 0 H ASN A 67 1.357 3.488 -9.405 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.946 3.945 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.650 6.266 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.991 5.681 -7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.859 6.264 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.022 5.020 -9.825 1.00 0.00 H new ATOM 1014 N THR A 68 -2.430 3.664 -9.550 1.00 0.00 N ATOM 1015 CA THR A 68 -3.361 3.544 -10.665 1.00 0.00 C ATOM 1016 C THR A 68 -4.714 3.018 -10.198 1.00 0.00 C ATOM 1017 O THR A 68 -4.846 1.849 -9.835 1.00 0.00 O ATOM 1018 CB THR A 68 -2.811 2.610 -11.759 1.00 0.00 C ATOM 1019 OG1 THR A 68 -3.892 1.986 -12.460 1.00 0.00 O ATOM 1020 CG2 THR A 68 -1.908 1.544 -11.157 1.00 0.00 C ATOM 0 H THR A 68 -2.788 3.312 -8.662 1.00 0.00 H new ATOM 0 HA THR A 68 -3.486 4.544 -11.080 1.00 0.00 H new ATOM 0 HB THR A 68 -2.225 3.209 -12.456 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.534 1.395 -13.155 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.532 0.896 -11.949 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.070 2.021 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.475 0.949 -10.441 1.00 0.00 H new ATOM 1028 N THR A 69 -5.718 3.889 -10.209 1.00 0.00 N ATOM 1029 CA THR A 69 -7.061 3.513 -9.786 1.00 0.00 C ATOM 1030 C THR A 69 -8.111 4.033 -10.761 1.00 0.00 C ATOM 1031 O THR A 69 -8.054 5.184 -11.191 1.00 0.00 O ATOM 1032 CB THR A 69 -7.377 4.048 -8.376 1.00 0.00 C ATOM 1033 OG1 THR A 69 -7.147 5.461 -8.326 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.520 3.352 -7.329 1.00 0.00 C ATOM 0 H THR A 69 -5.626 4.860 -10.506 1.00 0.00 H new ATOM 0 HA THR A 69 -7.093 2.424 -9.769 1.00 0.00 H new ATOM 0 HB THR A 69 -8.425 3.843 -8.159 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.204 5.646 -8.518 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.760 3.746 -6.342 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.718 2.280 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.466 3.530 -7.544 1.00 0.00 H new ATOM 1042 N GLN A 70 -9.067 3.177 -11.105 1.00 0.00 N ATOM 1043 CA GLN A 70 -10.130 3.551 -12.030 1.00 0.00 C ATOM 1044 C GLN A 70 -10.730 4.902 -11.653 1.00 0.00 C ATOM 1045 O GLN A 70 -10.579 5.384 -10.530 1.00 0.00 O ATOM 1046 CB GLN A 70 -11.223 2.481 -12.045 1.00 0.00 C ATOM 1047 CG GLN A 70 -11.000 1.398 -13.088 1.00 0.00 C ATOM 1048 CD GLN A 70 -10.165 0.246 -12.564 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -8.959 0.382 -12.359 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -10.805 -0.896 -12.343 1.00 0.00 N ATOM 0 H GLN A 70 -9.127 2.220 -10.757 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.697 3.632 -13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.281 2.018 -11.060 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.185 2.959 -12.230 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.965 1.019 -13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.507 1.833 -13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.806 -0.964 -12.527 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.296 -1.706 -11.989 1.00 0.00 H new ATOM 1059 N PRO A 71 -11.426 5.530 -12.612 1.00 0.00 N ATOM 1060 CA PRO A 71 -12.062 6.834 -12.404 1.00 0.00 C ATOM 1061 C PRO A 71 -13.254 6.753 -11.456 1.00 0.00 C ATOM 1062 O PRO A 71 -14.403 6.690 -11.891 1.00 0.00 O ATOM 1063 CB PRO A 71 -12.523 7.232 -13.809 1.00 0.00 C ATOM 1064 CG PRO A 71 -12.691 5.941 -14.533 1.00 0.00 C ATOM 1065 CD PRO A 71 -11.647 5.014 -13.974 1.00 0.00 C ATOM 0 HA PRO A 71 -11.381 7.551 -11.945 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.458 7.791 -13.775 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.788 7.869 -14.301 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.692 5.537 -14.383 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.559 6.076 -15.607 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.993 3.980 -13.961 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.732 5.036 -14.566 1.00 0.00 H new ATOM 1073 N GLY A 72 -12.971 6.755 -10.156 1.00 0.00 N ATOM 1074 CA GLY A 72 -14.030 6.681 -9.167 1.00 0.00 C ATOM 1075 C GLY A 72 -13.882 5.486 -8.246 1.00 0.00 C ATOM 1076 O GLY A 72 -14.565 5.391 -7.227 1.00 0.00 O ATOM 0 H GLY A 72 -12.028 6.807 -9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.033 7.595 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.993 6.628 -9.674 1.00 0.00 H new ATOM 1080 N SER A 73 -12.988 4.571 -8.607 1.00 0.00 N ATOM 1081 CA SER A 73 -12.756 3.373 -7.808 1.00 0.00 C ATOM 1082 C SER A 73 -11.637 3.602 -6.797 1.00 0.00 C ATOM 1083 O SER A 73 -10.547 4.052 -7.152 1.00 0.00 O ATOM 1084 CB SER A 73 -12.406 2.191 -8.714 1.00 0.00 C ATOM 1085 OG SER A 73 -13.174 2.215 -9.904 1.00 0.00 O ATOM 0 H SER A 73 -12.413 4.636 -9.447 1.00 0.00 H new ATOM 0 HA SER A 73 -13.673 3.146 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.345 2.221 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.583 1.256 -8.182 1.00 0.00 H new ATOM 0 HG SER A 73 -13.178 1.322 -10.309 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.915 3.291 -5.536 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.933 3.462 -4.471 1.00 0.00 C ATOM 1093 C LEU A 74 -10.213 2.150 -4.177 1.00 0.00 C ATOM 1094 O LEU A 74 -9.504 2.030 -3.179 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.612 3.980 -3.202 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.955 5.470 -3.184 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -10.714 6.306 -3.457 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -13.043 5.779 -4.202 1.00 0.00 C ATOM 0 H LEU A 74 -12.813 2.919 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.196 4.192 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.531 3.414 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.962 3.767 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.330 5.725 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.977 7.364 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.965 6.106 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.310 6.048 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.274 6.844 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.696 5.508 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.939 5.207 -3.962 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.400 1.169 -5.055 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.767 -0.134 -4.890 1.00 0.00 C ATOM 1112 C GLN A 75 -8.696 -0.358 -5.952 1.00 0.00 C ATOM 1113 O GLN A 75 -8.923 -0.115 -7.139 1.00 0.00 O ATOM 1114 CB GLN A 75 -10.815 -1.246 -4.962 1.00 0.00 C ATOM 1115 CG GLN A 75 -11.963 -1.065 -3.983 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.230 -1.765 -4.433 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -14.204 -1.121 -4.825 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -13.224 -3.092 -4.379 1.00 0.00 N ATOM 0 H GLN A 75 -10.984 1.252 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.290 -0.157 -3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.216 -1.291 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.331 -2.203 -4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.667 -1.450 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.165 -0.001 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.395 -3.585 -4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.048 -3.618 -4.669 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.529 -0.821 -5.520 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.422 -1.078 -6.435 1.00 0.00 C ATOM 1129 C LEU A 76 -5.796 -2.442 -6.162 1.00 0.00 C ATOM 1130 O LEU A 76 -5.343 -2.720 -5.051 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.362 0.017 -6.304 1.00 0.00 C ATOM 1132 CG LEU A 76 -4.121 -0.142 -7.182 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -4.518 -0.451 -8.617 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -3.262 1.113 -7.124 1.00 0.00 C ATOM 0 H LEU A 76 -7.324 -1.026 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.815 -1.076 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.827 0.975 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.042 0.063 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.535 -0.978 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.621 -0.561 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.091 -1.378 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.126 0.364 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.383 0.982 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.840 1.966 -7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.947 1.291 -6.096 1.00 0.00 H new ATOM 1146 N THR A 77 -5.771 -3.291 -7.185 1.00 0.00 N ATOM 1147 CA THR A 77 -5.200 -4.626 -7.057 1.00 0.00 C ATOM 1148 C THR A 77 -3.680 -4.587 -7.177 1.00 0.00 C ATOM 1149 O THR A 77 -3.136 -3.983 -8.101 1.00 0.00 O ATOM 1150 CB THR A 77 -5.763 -5.583 -8.124 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.189 -5.655 -8.013 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.167 -6.974 -7.972 1.00 0.00 C ATOM 0 H THR A 77 -6.140 -3.077 -8.112 1.00 0.00 H new ATOM 0 HA THR A 77 -5.475 -4.994 -6.069 1.00 0.00 H new ATOM 0 HB THR A 77 -5.494 -5.195 -9.107 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.540 -6.264 -8.696 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.580 -7.632 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.084 -6.920 -8.085 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.409 -7.368 -6.985 1.00 0.00 H new ATOM 1160 N VAL A 78 -3.000 -5.237 -6.238 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.543 -5.278 -6.240 1.00 0.00 C ATOM 1162 C VAL A 78 -1.034 -6.707 -6.396 1.00 0.00 C ATOM 1163 O VAL A 78 -0.995 -7.472 -5.433 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.963 -4.676 -4.946 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.558 -4.693 -4.984 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.484 -3.263 -4.736 1.00 0.00 C ATOM 0 H VAL A 78 -3.435 -5.742 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.210 -4.682 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.288 -5.287 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.950 -4.264 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.908 -5.720 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.907 -4.107 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.064 -2.853 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.191 -2.638 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.571 -3.284 -4.660 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.644 -7.061 -7.616 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.142 -8.397 -7.877 1.00 0.00 C ATOM 1178 C GLY A 79 1.372 -8.468 -7.828 1.00 0.00 C ATOM 1179 O GLY A 79 2.028 -7.542 -7.353 1.00 0.00 O ATOM 0 H GLY A 79 -0.667 -6.446 -8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.559 -9.088 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.486 -8.726 -8.857 1.00 0.00 H new ATOM 1183 N ASN A 80 1.927 -9.570 -8.321 1.00 0.00 N ATOM 1184 CA ASN A 80 3.373 -9.759 -8.330 1.00 0.00 C ATOM 1185 C ASN A 80 3.902 -9.979 -6.916 1.00 0.00 C ATOM 1186 O ASN A 80 4.896 -9.375 -6.511 1.00 0.00 O ATOM 1187 CB ASN A 80 4.063 -8.547 -8.961 1.00 0.00 C ATOM 1188 CG ASN A 80 3.384 -8.097 -10.240 1.00 0.00 C ATOM 1189 OD1 ASN A 80 2.717 -7.063 -10.271 1.00 0.00 O ATOM 1190 ND2 ASN A 80 3.551 -8.874 -11.304 1.00 0.00 N ATOM 0 H ASN A 80 1.398 -10.346 -8.719 1.00 0.00 H new ATOM 0 HA ASN A 80 3.594 -10.646 -8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.070 -7.723 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.103 -8.794 -9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.118 -8.622 -12.192 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.112 -9.723 -11.233 1.00 0.00 H new ATOM 1197 N LEU A 81 3.231 -10.849 -6.168 1.00 0.00 N ATOM 1198 CA LEU A 81 3.633 -11.151 -4.799 1.00 0.00 C ATOM 1199 C LEU A 81 3.937 -12.636 -4.636 1.00 0.00 C ATOM 1200 O LEU A 81 3.603 -13.448 -5.499 1.00 0.00 O ATOM 1201 CB LEU A 81 2.534 -10.732 -3.820 1.00 0.00 C ATOM 1202 CG LEU A 81 2.056 -9.284 -3.927 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.762 -9.091 -3.152 1.00 0.00 C ATOM 1204 CD2 LEU A 81 3.129 -8.330 -3.424 1.00 0.00 C ATOM 0 H LEU A 81 2.406 -11.357 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 81 4.540 -10.588 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.676 -11.388 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.896 -10.900 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 81 1.863 -9.061 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.437 -8.054 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.007 -9.748 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.927 -9.332 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.772 -7.304 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.353 -8.552 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.032 -8.450 -4.023 1.00 0.00 H new ATOM 1216 N LYS A 82 4.570 -12.987 -3.521 1.00 0.00 N ATOM 1217 CA LYS A 82 4.916 -14.375 -3.241 1.00 0.00 C ATOM 1218 C LYS A 82 4.034 -14.943 -2.134 1.00 0.00 C ATOM 1219 O LYS A 82 3.749 -14.284 -1.134 1.00 0.00 O ATOM 1220 CB LYS A 82 6.389 -14.484 -2.840 1.00 0.00 C ATOM 1221 CG LYS A 82 6.853 -15.912 -2.610 1.00 0.00 C ATOM 1222 CD LYS A 82 8.090 -15.961 -1.729 1.00 0.00 C ATOM 1223 CE LYS A 82 8.354 -17.369 -1.218 1.00 0.00 C ATOM 1224 NZ LYS A 82 9.062 -18.202 -2.229 1.00 0.00 N ATOM 0 H LYS A 82 4.854 -12.328 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 82 4.749 -14.955 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.003 -14.032 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.553 -13.907 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.051 -16.486 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.069 -16.384 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.954 -15.609 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.964 -15.284 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.950 -17.319 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.408 -17.843 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.223 -19.154 -1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.482 -18.271 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.976 -17.763 -2.462 1.00 0.00 H new ATOM 1238 N PRO A 83 3.590 -16.196 -2.315 1.00 0.00 N ATOM 1239 CA PRO A 83 2.736 -16.881 -1.340 1.00 0.00 C ATOM 1240 C PRO A 83 3.481 -17.225 -0.056 1.00 0.00 C ATOM 1241 O PRO A 83 4.711 -17.208 -0.018 1.00 0.00 O ATOM 1242 CB PRO A 83 2.315 -18.158 -2.073 1.00 0.00 C ATOM 1243 CG PRO A 83 3.400 -18.400 -3.065 1.00 0.00 C ATOM 1244 CD PRO A 83 3.890 -17.041 -3.483 1.00 0.00 C ATOM 0 HA PRO A 83 1.899 -16.259 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.215 -18.996 -1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.350 -18.033 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.206 -18.987 -2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.027 -18.961 -3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.956 -17.050 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.378 -16.687 -4.377 1.00 0.00 H new ATOM 1252 N GLU A 84 2.729 -17.537 0.995 1.00 0.00 N ATOM 1253 CA GLU A 84 3.321 -17.885 2.281 1.00 0.00 C ATOM 1254 C GLU A 84 4.331 -16.829 2.719 1.00 0.00 C ATOM 1255 O GLU A 84 5.487 -17.140 3.002 1.00 0.00 O ATOM 1256 CB GLU A 84 3.999 -19.254 2.202 1.00 0.00 C ATOM 1257 CG GLU A 84 3.105 -20.345 1.638 1.00 0.00 C ATOM 1258 CD GLU A 84 3.893 -21.515 1.080 1.00 0.00 C ATOM 1259 OE1 GLU A 84 4.281 -21.458 -0.105 1.00 0.00 O ATOM 1260 OE2 GLU A 84 4.122 -22.487 1.830 1.00 0.00 O ATOM 0 H GLU A 84 1.709 -17.556 0.981 1.00 0.00 H new ATOM 0 HA GLU A 84 2.521 -17.926 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.892 -19.172 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.328 -19.545 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.436 -20.703 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.478 -19.925 0.851 1.00 0.00 H new ATOM 1267 N ALA A 85 3.885 -15.578 2.770 1.00 0.00 N ATOM 1268 CA ALA A 85 4.749 -14.475 3.174 1.00 0.00 C ATOM 1269 C ALA A 85 3.928 -13.274 3.631 1.00 0.00 C ATOM 1270 O ALA A 85 2.754 -13.146 3.287 1.00 0.00 O ATOM 1271 CB ALA A 85 5.673 -14.082 2.031 1.00 0.00 C ATOM 0 H ALA A 85 2.931 -15.303 2.537 1.00 0.00 H new ATOM 0 HA ALA A 85 5.354 -14.810 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.312 -13.258 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.292 -14.935 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.078 -13.771 1.172 1.00 0.00 H new ATOM 1277 N MET A 86 4.555 -12.396 4.407 1.00 0.00 N ATOM 1278 CA MET A 86 3.881 -11.204 4.910 1.00 0.00 C ATOM 1279 C MET A 86 4.309 -9.967 4.127 1.00 0.00 C ATOM 1280 O MET A 86 5.501 -9.695 3.979 1.00 0.00 O ATOM 1281 CB MET A 86 4.184 -11.010 6.397 1.00 0.00 C ATOM 1282 CG MET A 86 3.422 -9.856 7.027 1.00 0.00 C ATOM 1283 SD MET A 86 1.675 -9.852 6.583 1.00 0.00 S ATOM 1284 CE MET A 86 0.952 -10.589 8.047 1.00 0.00 C ATOM 0 H MET A 86 5.527 -12.487 4.701 1.00 0.00 H new ATOM 0 HA MET A 86 2.808 -11.342 4.780 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.943 -11.929 6.931 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.253 -10.840 6.522 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.517 -9.912 8.111 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.874 -8.914 6.716 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.135 -10.574 7.963 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.294 -11.619 8.143 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.256 -10.023 8.927 1.00 0.00 H new ATOM 1294 N TYR A 87 3.330 -9.221 3.628 1.00 0.00 N ATOM 1295 CA TYR A 87 3.605 -8.014 2.857 1.00 0.00 C ATOM 1296 C TYR A 87 2.910 -6.804 3.474 1.00 0.00 C ATOM 1297 O TYR A 87 1.758 -6.884 3.901 1.00 0.00 O ATOM 1298 CB TYR A 87 3.150 -8.194 1.408 1.00 0.00 C ATOM 1299 CG TYR A 87 4.160 -8.911 0.540 1.00 0.00 C ATOM 1300 CD1 TYR A 87 4.335 -10.286 0.636 1.00 0.00 C ATOM 1301 CD2 TYR A 87 4.939 -8.213 -0.374 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.257 -10.945 -0.154 1.00 0.00 C ATOM 1303 CE2 TYR A 87 5.862 -8.865 -1.169 1.00 0.00 C ATOM 1304 CZ TYR A 87 6.018 -10.230 -1.055 1.00 0.00 C ATOM 1305 OH TYR A 87 6.937 -10.882 -1.844 1.00 0.00 O ATOM 0 H TYR A 87 2.338 -9.431 3.744 1.00 0.00 H new ATOM 0 HA TYR A 87 4.681 -7.840 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.213 -8.751 1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.943 -7.215 0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.740 -10.849 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.821 -7.143 -0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.381 -12.014 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.458 -8.308 -1.876 1.00 0.00 H new ATOM 0 HH TYR A 87 7.388 -10.234 -2.424 1.00 0.00 H new ATOM 1315 N THR A 88 3.620 -5.680 3.516 1.00 0.00 N ATOM 1316 CA THR A 88 3.074 -4.452 4.080 1.00 0.00 C ATOM 1317 C THR A 88 2.586 -3.513 2.983 1.00 0.00 C ATOM 1318 O THR A 88 3.379 -2.997 2.196 1.00 0.00 O ATOM 1319 CB THR A 88 4.118 -3.718 4.942 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.986 -4.665 5.574 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.439 -2.860 6.000 1.00 0.00 C ATOM 0 H THR A 88 4.574 -5.595 3.166 1.00 0.00 H new ATOM 0 HA THR A 88 2.232 -4.740 4.709 1.00 0.00 H new ATOM 0 HB THR A 88 4.703 -3.069 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.648 -4.190 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.196 -2.351 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 88 2.802 -2.120 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.832 -3.493 6.647 1.00 0.00 H new ATOM 1329 N PHE A 89 1.276 -3.295 2.937 1.00 0.00 N ATOM 1330 CA PHE A 89 0.682 -2.417 1.936 1.00 0.00 C ATOM 1331 C PHE A 89 0.287 -1.078 2.552 1.00 0.00 C ATOM 1332 O PHE A 89 -0.447 -1.029 3.539 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.543 -3.082 1.306 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.234 -4.383 0.622 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.064 -5.516 1.362 1.00 0.00 C ATOM 1336 CD2 PHE A 89 -0.242 -4.474 -0.760 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.350 -6.714 0.736 1.00 0.00 C ATOM 1338 CE2 PHE A 89 0.043 -5.669 -1.393 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.338 -6.791 -0.643 1.00 0.00 C ATOM 0 H PHE A 89 0.606 -3.714 3.581 1.00 0.00 H new ATOM 0 HA PHE A 89 1.427 -2.235 1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.290 -3.256 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.987 -2.397 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.073 -5.462 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.474 -3.600 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.583 -7.589 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.035 -5.726 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.559 -7.727 -1.134 1.00 0.00 H new ATOM 1349 N ARG A 90 0.780 0.006 1.962 1.00 0.00 N ATOM 1350 CA ARG A 90 0.481 1.346 2.453 1.00 0.00 C ATOM 1351 C ARG A 90 -0.271 2.156 1.401 1.00 0.00 C ATOM 1352 O ARG A 90 0.019 2.065 0.208 1.00 0.00 O ATOM 1353 CB ARG A 90 1.771 2.070 2.842 1.00 0.00 C ATOM 1354 CG ARG A 90 2.713 1.225 3.684 1.00 0.00 C ATOM 1355 CD ARG A 90 3.556 0.301 2.820 1.00 0.00 C ATOM 1356 NE ARG A 90 4.681 -0.266 3.559 1.00 0.00 N ATOM 1357 CZ ARG A 90 5.804 0.397 3.811 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.951 1.644 3.386 1.00 0.00 N ATOM 1359 NH2 ARG A 90 6.782 -0.187 4.491 1.00 0.00 N ATOM 0 H ARG A 90 1.388 -0.017 1.143 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.153 1.249 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.289 2.383 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.517 2.975 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.365 1.876 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.136 0.634 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.932 -0.506 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.930 0.853 1.958 1.00 0.00 H new ATOM 0 HE ARG A 90 4.600 -1.224 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.201 2.097 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.814 2.151 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.672 -1.146 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.644 0.323 4.684 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.240 2.946 1.851 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.034 3.772 0.949 1.00 0.00 C ATOM 1375 C VAL A 91 -1.768 5.255 1.184 1.00 0.00 C ATOM 1376 O VAL A 91 -1.676 5.707 2.325 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.541 3.499 1.118 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.355 4.428 0.231 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -3.856 2.043 0.811 1.00 0.00 C ATOM 0 H VAL A 91 -1.494 3.032 2.835 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.736 3.509 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.814 3.695 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.417 4.220 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.151 5.463 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.082 4.267 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.925 1.868 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.568 1.817 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.301 1.399 1.493 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.646 6.008 0.096 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.392 7.441 0.182 1.00 0.00 C ATOM 1391 C VAL A 92 -2.131 8.198 -0.916 1.00 0.00 C ATOM 1392 O VAL A 92 -2.234 7.726 -2.047 1.00 0.00 O ATOM 1393 CB VAL A 92 0.114 7.751 0.080 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.353 9.253 0.115 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.878 7.055 1.196 1.00 0.00 C ATOM 0 H VAL A 92 -1.719 5.649 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.758 7.769 1.155 1.00 0.00 H new ATOM 0 HB VAL A 92 0.482 7.371 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.422 9.453 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.162 9.723 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.029 9.661 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.940 7.285 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.510 7.403 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.733 5.977 1.119 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.643 9.375 -0.573 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.371 10.199 -1.530 1.00 0.00 C ATOM 1407 C ALA A 93 -2.457 11.245 -2.161 1.00 0.00 C ATOM 1408 O ALA A 93 -1.908 12.102 -1.469 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.557 10.871 -0.854 1.00 0.00 C ATOM 0 H ALA A 93 -2.567 9.779 0.360 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.740 9.550 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.091 11.483 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.229 10.110 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.202 11.502 -0.039 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.299 11.168 -3.478 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.449 12.106 -4.201 1.00 0.00 C ATOM 1417 C TYR A 94 -2.288 13.149 -4.932 1.00 0.00 C ATOM 1418 O TYR A 94 -2.822 12.889 -6.009 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.563 11.358 -5.199 1.00 0.00 C ATOM 1420 CG TYR A 94 0.766 10.924 -4.622 1.00 0.00 C ATOM 1421 CD1 TYR A 94 0.885 9.729 -3.924 1.00 0.00 C ATOM 1422 CD2 TYR A 94 1.902 11.709 -4.775 1.00 0.00 C ATOM 1423 CE1 TYR A 94 2.096 9.329 -3.394 1.00 0.00 C ATOM 1424 CE2 TYR A 94 3.118 11.316 -4.251 1.00 0.00 C ATOM 1425 CZ TYR A 94 3.210 10.125 -3.561 1.00 0.00 C ATOM 1426 OH TYR A 94 4.419 9.731 -3.036 1.00 0.00 O ATOM 0 H TYR A 94 -2.748 10.466 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.817 12.618 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.098 10.479 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.383 11.998 -6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.016 9.102 -3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.833 12.643 -5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 94 2.170 8.398 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.992 11.937 -4.381 1.00 0.00 H new ATOM 0 HH TYR A 94 5.101 10.404 -3.244 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.400 14.332 -4.336 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.174 15.417 -4.929 1.00 0.00 C ATOM 1438 C ASN A 95 -2.259 16.418 -5.629 1.00 0.00 C ATOM 1439 O ASN A 95 -1.044 16.232 -5.681 1.00 0.00 O ATOM 1440 CB ASN A 95 -3.999 16.128 -3.855 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.250 17.283 -3.219 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -2.019 17.296 -3.187 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -3.991 18.260 -2.710 1.00 0.00 N ATOM 0 H ASN A 95 -1.965 14.564 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.848 14.987 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.924 16.498 -4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.279 15.412 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.543 19.064 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.008 18.207 -2.759 1.00 0.00 H new ATOM 1450 N GLU A 96 -2.854 17.479 -6.166 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.092 18.509 -6.863 1.00 0.00 C ATOM 1452 C GLU A 96 -0.741 18.734 -6.192 1.00 0.00 C ATOM 1453 O GLU A 96 0.305 18.660 -6.838 1.00 0.00 O ATOM 1454 CB GLU A 96 -2.881 19.820 -6.900 1.00 0.00 C ATOM 1455 CG GLU A 96 -4.076 19.785 -7.837 1.00 0.00 C ATOM 1456 CD GLU A 96 -5.035 20.937 -7.604 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -4.641 22.096 -7.848 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -6.179 20.677 -7.176 1.00 0.00 O ATOM 0 H GLU A 96 -3.859 17.648 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.918 18.169 -7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.226 20.055 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.215 20.627 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.725 19.813 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.608 18.843 -7.706 1.00 0.00 H new ATOM 1465 N TRP A 97 -0.771 19.011 -4.893 1.00 0.00 N ATOM 1466 CA TRP A 97 0.452 19.248 -4.134 1.00 0.00 C ATOM 1467 C TRP A 97 1.313 17.991 -4.082 1.00 0.00 C ATOM 1468 O TRP A 97 2.344 17.905 -4.748 1.00 0.00 O ATOM 1469 CB TRP A 97 0.114 19.708 -2.715 1.00 0.00 C ATOM 1470 CG TRP A 97 -0.677 20.981 -2.676 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -1.891 21.173 -2.080 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -0.311 22.236 -3.259 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -2.301 22.472 -2.257 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -1.349 23.145 -2.977 1.00 0.00 C ATOM 1475 CE3 TRP A 97 0.794 22.681 -3.990 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -1.313 24.471 -3.401 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 0.828 23.997 -4.411 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -0.220 24.879 -4.116 1.00 0.00 C ATOM 0 H TRP A 97 -1.628 19.077 -4.344 1.00 0.00 H new ATOM 0 HA TRP A 97 1.017 20.032 -4.638 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.449 18.923 -2.211 1.00 0.00 H new ATOM 0 HB3 TRP A 97 1.039 19.846 -2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.447 20.415 -1.548 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.173 22.871 -1.909 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.607 22.009 -4.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.119 25.153 -3.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 1.677 24.352 -4.977 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -0.164 25.901 -4.460 1.00 0.00 H new ATOM 1489 N GLY A 98 0.883 17.016 -3.287 1.00 0.00 N ATOM 1490 CA GLY A 98 1.627 15.776 -3.164 1.00 0.00 C ATOM 1491 C GLY A 98 0.913 14.755 -2.300 1.00 0.00 C ATOM 1492 O GLY A 98 -0.301 14.816 -2.104 1.00 0.00 O ATOM 0 H GLY A 98 0.033 17.063 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.793 15.356 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.608 15.985 -2.738 1.00 0.00 H new ATOM 1496 N PRO A 99 1.676 13.788 -1.768 1.00 0.00 N ATOM 1497 CA PRO A 99 1.130 12.730 -0.913 1.00 0.00 C ATOM 1498 C PRO A 99 0.679 13.257 0.445 1.00 0.00 C ATOM 1499 O PRO A 99 1.495 13.479 1.338 1.00 0.00 O ATOM 1500 CB PRO A 99 2.306 11.765 -0.748 1.00 0.00 C ATOM 1501 CG PRO A 99 3.518 12.606 -0.953 1.00 0.00 C ATOM 1502 CD PRO A 99 3.130 13.654 -1.960 1.00 0.00 C ATOM 0 HA PRO A 99 0.242 12.271 -1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.305 11.306 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.259 10.955 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.838 13.064 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.352 12.006 -1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.648 14.596 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.375 13.345 -2.976 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.628 13.455 0.594 1.00 0.00 N ATOM 1511 CA GLY A 100 -1.164 13.955 1.846 1.00 0.00 C ATOM 1512 C GLY A 100 -0.834 13.053 3.019 1.00 0.00 C ATOM 1513 O GLY A 100 0.186 12.365 3.012 1.00 0.00 O ATOM 0 H GLY A 100 -1.324 13.278 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.767 14.952 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.246 14.054 1.761 1.00 0.00 H new ATOM 1517 N GLU A 101 -1.697 13.059 4.029 1.00 0.00 N ATOM 1518 CA GLU A 101 -1.489 12.237 5.216 1.00 0.00 C ATOM 1519 C GLU A 101 -1.222 10.784 4.831 1.00 0.00 C ATOM 1520 O GLU A 101 -1.650 10.322 3.774 1.00 0.00 O ATOM 1521 CB GLU A 101 -2.707 12.316 6.138 1.00 0.00 C ATOM 1522 CG GLU A 101 -2.604 13.408 7.190 1.00 0.00 C ATOM 1523 CD GLU A 101 -1.977 12.919 8.480 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -0.732 12.923 8.574 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -2.732 12.531 9.397 1.00 0.00 O ATOM 0 H GLU A 101 -2.546 13.623 4.050 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.617 12.621 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.598 12.487 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.839 11.355 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.013 14.234 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.599 13.800 7.400 1.00 0.00 H new ATOM 1532 N SER A 102 -0.510 10.070 5.697 1.00 0.00 N ATOM 1533 CA SER A 102 -0.182 8.671 5.447 1.00 0.00 C ATOM 1534 C SER A 102 -1.030 7.750 6.318 1.00 0.00 C ATOM 1535 O SER A 102 -1.039 7.870 7.543 1.00 0.00 O ATOM 1536 CB SER A 102 1.303 8.419 5.714 1.00 0.00 C ATOM 1537 OG SER A 102 1.644 8.744 7.051 1.00 0.00 O ATOM 0 H SER A 102 -0.149 10.437 6.578 1.00 0.00 H new ATOM 0 HA SER A 102 -0.399 8.454 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.538 7.373 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.905 9.014 5.027 1.00 0.00 H new ATOM 0 HG SER A 102 0.842 8.703 7.612 1.00 0.00 H new ATOM 1543 N SER A 103 -1.743 6.830 5.676 1.00 0.00 N ATOM 1544 CA SER A 103 -2.599 5.890 6.390 1.00 0.00 C ATOM 1545 C SER A 103 -1.764 4.903 7.201 1.00 0.00 C ATOM 1546 O SER A 103 -0.563 4.759 6.975 1.00 0.00 O ATOM 1547 CB SER A 103 -3.492 5.132 5.406 1.00 0.00 C ATOM 1548 OG SER A 103 -2.724 4.289 4.565 1.00 0.00 O ATOM 0 H SER A 103 -1.745 6.716 4.662 1.00 0.00 H new ATOM 0 HA SER A 103 -3.227 6.458 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.220 4.536 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.054 5.842 4.799 1.00 0.00 H new ATOM 0 HG SER A 103 -2.382 4.807 3.807 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.410 4.227 8.145 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.727 3.254 8.990 1.00 0.00 C ATOM 1556 C GLN A 104 -1.279 2.045 8.175 1.00 0.00 C ATOM 1557 O GLN A 104 -1.993 1.557 7.299 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.643 2.805 10.129 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.948 1.928 11.159 1.00 0.00 C ATOM 1560 CD GLN A 104 -2.914 1.332 12.164 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -3.468 0.254 11.946 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -3.120 2.031 13.274 1.00 0.00 N ATOM 0 H GLN A 104 -3.405 4.335 8.344 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.843 3.733 9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.047 3.686 10.628 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -3.489 2.259 9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.419 1.124 10.648 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.199 2.518 11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.640 2.920 13.413 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.759 1.679 13.987 1.00 0.00 H new ATOM 1571 N PRO A 105 -0.067 1.549 8.468 1.00 0.00 N ATOM 1572 CA PRO A 105 0.503 0.391 7.774 1.00 0.00 C ATOM 1573 C PRO A 105 -0.219 -0.906 8.121 1.00 0.00 C ATOM 1574 O PRO A 105 -0.480 -1.189 9.291 1.00 0.00 O ATOM 1575 CB PRO A 105 1.947 0.351 8.281 1.00 0.00 C ATOM 1576 CG PRO A 105 1.903 1.025 9.608 1.00 0.00 C ATOM 1577 CD PRO A 105 0.839 2.082 9.500 1.00 0.00 C ATOM 0 HA PRO A 105 0.418 0.482 6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.307 -0.674 8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.621 0.867 7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.667 0.314 10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.869 1.467 9.854 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.324 2.232 10.449 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.258 3.045 9.209 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.540 -1.691 7.098 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.231 -2.959 7.295 1.00 0.00 C ATOM 1587 C ILE A 106 -0.368 -4.132 6.843 1.00 0.00 C ATOM 1588 O ILE A 106 0.402 -4.019 5.889 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.568 -2.996 6.532 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.324 -2.892 5.026 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.479 -1.873 7.005 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.442 -3.476 4.190 1.00 0.00 C ATOM 0 H ILE A 106 -0.332 -1.471 6.124 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.429 -3.047 8.363 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.060 -3.947 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.192 -1.843 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.393 -3.403 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.420 -1.912 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.675 -1.988 8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.995 -0.913 6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.201 -3.367 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.560 -4.533 4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.371 -2.949 4.406 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.502 -5.259 7.534 1.00 0.00 N ATOM 1605 CA LYS A 107 0.263 -6.455 7.203 1.00 0.00 C ATOM 1606 C LYS A 107 -0.664 -7.602 6.811 1.00 0.00 C ATOM 1607 O LYS A 107 -1.296 -8.222 7.666 1.00 0.00 O ATOM 1608 CB LYS A 107 1.135 -6.873 8.389 1.00 0.00 C ATOM 1609 CG LYS A 107 2.475 -6.159 8.440 1.00 0.00 C ATOM 1610 CD LYS A 107 3.475 -6.912 9.301 1.00 0.00 C ATOM 1611 CE LYS A 107 3.276 -6.613 10.779 1.00 0.00 C ATOM 1612 NZ LYS A 107 4.394 -7.142 11.608 1.00 0.00 N ATOM 0 H LYS A 107 -1.134 -5.369 8.327 1.00 0.00 H new ATOM 0 HA LYS A 107 0.904 -6.222 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.593 -6.678 9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.307 -7.948 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.870 -6.053 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.337 -5.153 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.371 -7.983 9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.488 -6.639 9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.195 -5.536 10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.336 -7.051 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.047 -7.921 12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.151 -7.492 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.766 -6.383 12.214 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.739 -7.879 5.513 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.586 -8.953 5.009 1.00 0.00 C ATOM 1628 C VAL A 108 -0.750 -10.143 4.550 1.00 0.00 C ATOM 1629 O VAL A 108 0.158 -9.998 3.731 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.463 -8.473 3.837 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.382 -9.590 3.365 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.265 -7.246 4.241 1.00 0.00 C ATOM 0 H VAL A 108 -0.223 -7.374 4.792 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.230 -9.261 5.833 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.812 -8.197 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.994 -9.232 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.783 -10.438 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.028 -9.901 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.879 -6.920 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.908 -7.493 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.584 -6.444 4.526 1.00 0.00 H new ATOM 1642 N ALA A 109 -1.063 -11.320 5.082 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.343 -12.535 4.725 1.00 0.00 C ATOM 1644 C ALA A 109 -1.051 -13.283 3.600 1.00 0.00 C ATOM 1645 O ALA A 109 -2.212 -13.673 3.734 1.00 0.00 O ATOM 1646 CB ALA A 109 -0.187 -13.434 5.943 1.00 0.00 C ATOM 0 H ALA A 109 -1.811 -11.457 5.762 1.00 0.00 H new ATOM 0 HA ALA A 109 0.647 -12.249 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.353 -14.338 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.370 -12.905 6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.172 -13.704 6.325 1.00 0.00 H new ATOM 1652 N THR A 110 -0.346 -13.481 2.491 1.00 0.00 N ATOM 1653 CA THR A 110 -0.908 -14.181 1.342 1.00 0.00 C ATOM 1654 C THR A 110 -1.426 -15.559 1.738 1.00 0.00 C ATOM 1655 O THR A 110 -1.059 -16.092 2.784 1.00 0.00 O ATOM 1656 CB THR A 110 0.132 -14.338 0.217 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.354 -14.861 0.749 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.398 -13.005 -0.465 1.00 0.00 C ATOM 0 H THR A 110 0.616 -13.166 2.364 1.00 0.00 H new ATOM 0 HA THR A 110 -1.738 -13.576 0.977 1.00 0.00 H new ATOM 0 HB THR A 110 -0.268 -15.032 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.107 -14.556 0.200 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.136 -13.142 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.529 -12.625 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.778 -12.292 0.266 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.279 -16.130 0.894 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.847 -17.447 1.156 1.00 0.00 C ATOM 1668 C GLN A 111 -1.846 -18.548 0.820 1.00 0.00 C ATOM 1669 O GLN A 111 -1.056 -18.436 -0.117 1.00 0.00 O ATOM 1670 CB GLN A 111 -4.130 -17.643 0.347 1.00 0.00 C ATOM 1671 CG GLN A 111 -5.114 -16.491 0.478 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.449 -16.787 -0.176 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.561 -16.811 -1.402 1.00 0.00 O ATOM 1674 NE2 GLN A 111 -7.471 -17.016 0.640 1.00 0.00 N ATOM 0 H GLN A 111 -2.592 -15.701 0.023 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.084 -17.508 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.871 -17.771 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.616 -18.564 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -5.272 -16.271 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.683 -15.597 0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.334 -16.986 1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.394 -17.222 0.257 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.879 -19.637 1.602 1.00 0.00 N ATOM 1684 CA PRO A 112 -0.982 -20.779 1.406 1.00 0.00 C ATOM 1685 C PRO A 112 -1.306 -21.560 0.137 1.00 0.00 C ATOM 1686 O PRO A 112 -2.286 -22.303 0.088 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.232 -21.643 2.645 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.612 -21.290 3.080 1.00 0.00 C ATOM 1689 CD PRO A 112 -2.796 -19.837 2.737 1.00 0.00 C ATOM 0 HA PRO A 112 0.056 -20.467 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.150 -22.704 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.504 -21.432 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.352 -21.908 2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -2.739 -21.458 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.828 -19.616 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.543 -19.190 3.577 1.00 0.00 H new