USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 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 96 ASN : amide:sc= -8.54! C(o=-12!,f=-15!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -3.2! K(o=-12!,f=-9.2) USER MOD Set 2.1: A 52 TYR OH : rot 52:sc= -1.3 USER MOD Set 2.2: A 75 MET CE :methyl -167:sc= -3.92! (180deg=-4.26!) USER MOD Set 3.1: A 53 SER OG : rot 121:sc= 0.0175 USER MOD Set 3.2: A 93 MET CE :methyl -107:sc= -1.08 (180deg=-3.37!) USER MOD Set 4.1: A 35 LYS NZ :NH3+ 161:sc= 0.421 (180deg=0) USER MOD Set 4.2: A 76 GLN : amide:sc= 0.343 K(o=0.76,f=-0.4) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 176:sc= 0.741 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 160:sc= 0 USER MOD Single : A 40 THR OG1 : rot 175:sc= 0.135 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.054) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00323 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0986 X(o=-0.099,f=-0.099) USER MOD Single : A 69 THR OG1 : rot 135:sc= 1.14 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.037) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0024 K(o=-0.0024,f=-1.2) USER MOD Single : A 81 ASN : amide:sc= -0.929 K(o=-0.93,f=-0.03) USER MOD Single : A 83 MET CE :methyl -168:sc= -0.0177 (180deg=-0.24) USER MOD Single : A 86 THR OG1 : rot -157:sc= 1.25 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.336 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 32:sc= 0.574 USER MOD Single : A 103 SER OG : rot 43:sc= 0.208 USER MOD Single : A 104 SER OG : rot -48:sc= 0.0949 USER MOD Single : A 111 THR OG1 : rot -162:sc= 2.04 USER MOD Single : A 112 GLN : amide:sc= -0.0838 K(o=-0.084,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.746 11.474 -5.534 1.00 0.00 N ATOM 183 CA LEU A 17 14.345 11.072 -5.453 1.00 0.00 C ATOM 184 C LEU A 17 13.947 10.772 -4.012 1.00 0.00 C ATOM 185 O LEU A 17 14.776 10.416 -3.174 1.00 0.00 O ATOM 186 CB LEU A 17 14.096 9.844 -6.330 1.00 0.00 C ATOM 187 CG LEU A 17 14.011 10.099 -7.835 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.094 8.790 -8.604 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.727 10.841 -8.179 1.00 0.00 C ATOM 0 HA LEU A 17 13.733 11.899 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.895 9.125 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.166 9.375 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 17 14.857 10.722 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.032 8.992 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.041 8.297 -8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.269 8.142 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.684 11.014 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.868 10.244 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.708 11.798 -7.657 1.00 0.00 H new ATOM 201 N PRO A 18 12.647 10.917 -3.715 1.00 0.00 N ATOM 202 CA PRO A 18 12.108 10.664 -2.375 1.00 0.00 C ATOM 203 C PRO A 18 12.126 9.183 -2.013 1.00 0.00 C ATOM 204 O PRO A 18 12.727 8.370 -2.716 1.00 0.00 O ATOM 205 CB PRO A 18 10.668 11.173 -2.470 1.00 0.00 C ATOM 206 CG PRO A 18 10.325 11.073 -3.917 1.00 0.00 C ATOM 207 CD PRO A 18 11.603 11.338 -4.664 1.00 0.00 C ATOM 0 HA PRO A 18 12.698 11.153 -1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.994 10.570 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.587 12.200 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.930 10.086 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.557 11.798 -4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.651 10.769 -5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.702 12.390 -4.930 1.00 0.00 H new ATOM 215 N SER A 19 11.465 8.839 -0.913 1.00 0.00 N ATOM 216 CA SER A 19 11.408 7.455 -0.456 1.00 0.00 C ATOM 217 C SER A 19 9.980 7.062 -0.091 1.00 0.00 C ATOM 218 O SER A 19 9.255 7.831 0.539 1.00 0.00 O ATOM 219 CB SER A 19 12.328 7.256 0.750 1.00 0.00 C ATOM 220 OG SER A 19 12.337 5.902 1.167 1.00 0.00 O ATOM 0 H SER A 19 10.961 9.499 -0.321 1.00 0.00 H new ATOM 0 HA SER A 19 11.745 6.815 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.341 7.568 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.997 7.891 1.572 1.00 0.00 H new ATOM 0 HG SER A 19 12.934 5.801 1.938 1.00 0.00 H new ATOM 226 N ALA A 20 9.584 5.858 -0.492 1.00 0.00 N ATOM 227 CA ALA A 20 8.244 5.360 -0.206 1.00 0.00 C ATOM 228 C ALA A 20 7.782 5.793 1.182 1.00 0.00 C ATOM 229 O ALA A 20 8.585 6.017 2.088 1.00 0.00 O ATOM 230 CB ALA A 20 8.208 3.844 -0.327 1.00 0.00 C ATOM 0 H ALA A 20 10.172 5.210 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 20 7.560 5.789 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.202 3.486 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.487 3.553 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.910 3.406 0.383 1.00 0.00 H new ATOM 236 N PRO A 21 6.458 5.915 1.354 1.00 0.00 N ATOM 237 CA PRO A 21 5.860 6.322 2.629 1.00 0.00 C ATOM 238 C PRO A 21 5.999 5.250 3.703 1.00 0.00 C ATOM 239 O PRO A 21 6.433 4.132 3.425 1.00 0.00 O ATOM 240 CB PRO A 21 4.386 6.538 2.276 1.00 0.00 C ATOM 241 CG PRO A 21 4.150 5.672 1.087 1.00 0.00 C ATOM 242 CD PRO A 21 5.442 5.665 0.317 1.00 0.00 C ATOM 0 HA PRO A 21 6.347 7.204 3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.735 6.258 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.182 7.585 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.870 4.663 1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.334 6.060 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.606 4.711 -0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.455 6.436 -0.453 1.00 0.00 H new ATOM 250 N ARG A 22 5.628 5.597 4.931 1.00 0.00 N ATOM 251 CA ARG A 22 5.712 4.663 6.048 1.00 0.00 C ATOM 252 C ARG A 22 4.329 4.382 6.627 1.00 0.00 C ATOM 253 O ARG A 22 3.324 4.901 6.141 1.00 0.00 O ATOM 254 CB ARG A 22 6.630 5.221 7.138 1.00 0.00 C ATOM 255 CG ARG A 22 7.774 6.064 6.599 1.00 0.00 C ATOM 256 CD ARG A 22 8.687 5.251 5.695 1.00 0.00 C ATOM 257 NE ARG A 22 9.270 4.108 6.392 1.00 0.00 N ATOM 258 CZ ARG A 22 10.338 3.448 5.957 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.936 3.816 4.832 1.00 0.00 N ATOM 260 NH2 ARG A 22 10.809 2.417 6.647 1.00 0.00 N ATOM 0 H ARG A 22 5.266 6.518 5.178 1.00 0.00 H new ATOM 0 HA ARG A 22 6.128 3.727 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.038 5.825 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.041 4.392 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.373 6.912 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.351 6.470 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.123 4.900 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.485 5.890 5.316 1.00 0.00 H new ATOM 0 HE ARG A 22 8.833 3.799 7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.576 4.607 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.756 3.308 4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.351 2.130 7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.629 1.911 6.312 1.00 0.00 H new ATOM 274 N ASP A 23 4.286 3.556 7.667 1.00 0.00 N ATOM 275 CA ASP A 23 3.026 3.205 8.313 1.00 0.00 C ATOM 276 C ASP A 23 1.989 2.771 7.282 1.00 0.00 C ATOM 277 O ASP A 23 0.807 3.093 7.401 1.00 0.00 O ATOM 278 CB ASP A 23 2.495 4.391 9.120 1.00 0.00 C ATOM 279 CG ASP A 23 1.367 3.997 10.053 1.00 0.00 C ATOM 280 OD1 ASP A 23 1.244 2.793 10.360 1.00 0.00 O ATOM 281 OD2 ASP A 23 0.606 4.893 10.475 1.00 0.00 O ATOM 0 H ASP A 23 5.109 3.117 8.081 1.00 0.00 H new ATOM 0 HA ASP A 23 3.212 2.370 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.309 4.825 9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.144 5.164 8.436 1.00 0.00 H new ATOM 286 N VAL A 24 2.441 2.038 6.269 1.00 0.00 N ATOM 287 CA VAL A 24 1.552 1.559 5.216 1.00 0.00 C ATOM 288 C VAL A 24 0.614 0.477 5.740 1.00 0.00 C ATOM 289 O VAL A 24 1.012 -0.676 5.911 1.00 0.00 O ATOM 290 CB VAL A 24 2.348 0.999 4.022 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.405 0.432 2.971 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.239 2.078 3.424 1.00 0.00 C ATOM 0 H VAL A 24 3.417 1.763 6.155 1.00 0.00 H new ATOM 0 HA VAL A 24 0.965 2.415 4.883 1.00 0.00 H new ATOM 0 HB VAL A 24 2.985 0.190 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.985 0.041 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.813 -0.371 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.741 1.220 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.794 1.666 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.623 2.909 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.938 2.433 4.181 1.00 0.00 H new ATOM 302 N VAL A 25 -0.635 0.855 5.992 1.00 0.00 N ATOM 303 CA VAL A 25 -1.632 -0.083 6.494 1.00 0.00 C ATOM 304 C VAL A 25 -2.992 0.166 5.853 1.00 0.00 C ATOM 305 O VAL A 25 -3.173 1.129 5.109 1.00 0.00 O ATOM 306 CB VAL A 25 -1.772 0.014 8.025 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.411 -0.094 8.694 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.466 1.310 8.415 1.00 0.00 C ATOM 0 H VAL A 25 -0.981 1.805 5.857 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.288 -1.083 6.231 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.386 -0.818 8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.530 -0.023 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.044 -1.052 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.231 0.716 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.557 1.362 9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.881 2.158 8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.459 1.340 7.966 1.00 0.00 H new ATOM 318 N ALA A 26 -3.948 -0.710 6.147 1.00 0.00 N ATOM 319 CA ALA A 26 -5.294 -0.585 5.601 1.00 0.00 C ATOM 320 C ALA A 26 -6.285 -0.160 6.679 1.00 0.00 C ATOM 321 O ALA A 26 -6.669 -0.960 7.532 1.00 0.00 O ATOM 322 CB ALA A 26 -5.730 -1.897 4.967 1.00 0.00 C ATOM 0 H ALA A 26 -3.815 -1.514 6.760 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.279 0.189 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.737 -1.789 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.043 -2.158 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.723 -2.685 5.720 1.00 0.00 H new ATOM 328 N SER A 27 -6.696 1.103 6.635 1.00 0.00 N ATOM 329 CA SER A 27 -7.640 1.635 7.610 1.00 0.00 C ATOM 330 C SER A 27 -8.921 0.807 7.634 1.00 0.00 C ATOM 331 O SER A 27 -9.566 0.669 8.674 1.00 0.00 O ATOM 332 CB SER A 27 -7.968 3.095 7.291 1.00 0.00 C ATOM 333 OG SER A 27 -9.174 3.495 7.918 1.00 0.00 O ATOM 0 H SER A 27 -6.390 1.777 5.934 1.00 0.00 H new ATOM 0 HA SER A 27 -7.175 1.582 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.151 3.736 7.624 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.055 3.224 6.212 1.00 0.00 H new ATOM 0 HG SER A 27 -9.361 4.432 7.700 1.00 0.00 H new ATOM 339 N LEU A 28 -9.284 0.258 6.480 1.00 0.00 N ATOM 340 CA LEU A 28 -10.489 -0.557 6.366 1.00 0.00 C ATOM 341 C LEU A 28 -10.380 -1.528 5.195 1.00 0.00 C ATOM 342 O LEU A 28 -9.688 -1.258 4.213 1.00 0.00 O ATOM 343 CB LEU A 28 -11.718 0.336 6.190 1.00 0.00 C ATOM 344 CG LEU A 28 -12.945 -0.327 5.564 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.222 0.331 6.066 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.871 -0.260 4.046 1.00 0.00 C ATOM 0 H LEU A 28 -8.762 0.362 5.610 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.596 -1.134 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.000 0.728 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.437 1.190 5.573 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.959 -1.375 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.085 -0.154 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.281 0.231 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.216 1.388 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.753 -0.737 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.832 0.782 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.975 -0.777 3.702 1.00 0.00 H new ATOM 358 N VAL A 29 -11.071 -2.659 5.304 1.00 0.00 N ATOM 359 CA VAL A 29 -11.055 -3.669 4.253 1.00 0.00 C ATOM 360 C VAL A 29 -12.470 -4.029 3.816 1.00 0.00 C ATOM 361 O VAL A 29 -13.164 -4.790 4.490 1.00 0.00 O ATOM 362 CB VAL A 29 -10.330 -4.948 4.714 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.528 -6.067 3.704 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.851 -4.671 4.933 1.00 0.00 C ATOM 0 H VAL A 29 -11.649 -2.898 6.110 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.515 -3.239 3.409 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.761 -5.268 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.009 -6.962 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.592 -6.281 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.125 -5.761 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.354 -5.585 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.403 -4.327 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.734 -3.903 5.697 1.00 0.00 H new ATOM 374 N SER A 30 -12.892 -3.479 2.682 1.00 0.00 N ATOM 375 CA SER A 30 -14.227 -3.740 2.156 1.00 0.00 C ATOM 376 C SER A 30 -14.231 -4.991 1.283 1.00 0.00 C ATOM 377 O SER A 30 -13.179 -5.472 0.860 1.00 0.00 O ATOM 378 CB SER A 30 -14.723 -2.539 1.348 1.00 0.00 C ATOM 379 OG SER A 30 -15.720 -2.926 0.418 1.00 0.00 O ATOM 0 H SER A 30 -12.329 -2.850 2.110 1.00 0.00 H new ATOM 0 HA SER A 30 -14.898 -3.904 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.125 -1.784 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.886 -2.082 0.820 1.00 0.00 H new ATOM 0 HG SER A 30 -16.064 -2.132 -0.042 1.00 0.00 H new ATOM 385 N THR A 31 -15.424 -5.515 1.016 1.00 0.00 N ATOM 386 CA THR A 31 -15.568 -6.710 0.196 1.00 0.00 C ATOM 387 C THR A 31 -15.351 -6.394 -1.280 1.00 0.00 C ATOM 388 O THR A 31 -14.954 -7.261 -2.059 1.00 0.00 O ATOM 389 CB THR A 31 -16.958 -7.350 0.373 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.977 -6.425 -0.025 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.181 -7.767 1.819 1.00 0.00 C ATOM 0 H THR A 31 -16.305 -5.129 1.357 1.00 0.00 H new ATOM 0 HA THR A 31 -14.807 -7.415 0.530 1.00 0.00 H new ATOM 0 HB THR A 31 -17.008 -8.238 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.858 -6.840 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.169 -8.216 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.421 -8.492 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.113 -6.892 2.465 1.00 0.00 H new ATOM 399 N ARG A 32 -15.614 -5.147 -1.657 1.00 0.00 N ATOM 400 CA ARG A 32 -15.447 -4.716 -3.040 1.00 0.00 C ATOM 401 C ARG A 32 -14.324 -3.691 -3.159 1.00 0.00 C ATOM 402 O ARG A 32 -14.004 -3.228 -4.255 1.00 0.00 O ATOM 403 CB ARG A 32 -16.753 -4.122 -3.572 1.00 0.00 C ATOM 404 CG ARG A 32 -17.909 -5.109 -3.589 1.00 0.00 C ATOM 405 CD ARG A 32 -19.095 -4.564 -4.368 1.00 0.00 C ATOM 406 NE ARG A 32 -20.352 -5.186 -3.958 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.880 -5.045 -2.748 1.00 0.00 C ATOM 408 NH1 ARG A 32 -20.265 -4.308 -1.833 1.00 0.00 N ATOM 409 NH2 ARG A 32 -22.027 -5.642 -2.450 1.00 0.00 N ATOM 0 H ARG A 32 -15.943 -4.418 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.183 -5.589 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.028 -3.264 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.588 -3.751 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.580 -6.048 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.215 -5.331 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.160 -3.486 -4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.938 -4.733 -5.433 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.851 -5.760 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.383 -3.847 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.674 -4.202 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.504 -6.210 -3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.432 -5.533 -1.520 1.00 0.00 H new ATOM 423 N PHE A 33 -13.728 -3.339 -2.025 1.00 0.00 N ATOM 424 CA PHE A 33 -12.641 -2.367 -2.001 1.00 0.00 C ATOM 425 C PHE A 33 -11.844 -2.474 -0.705 1.00 0.00 C ATOM 426 O PHE A 33 -12.162 -3.283 0.167 1.00 0.00 O ATOM 427 CB PHE A 33 -13.193 -0.949 -2.157 1.00 0.00 C ATOM 428 CG PHE A 33 -13.614 -0.323 -0.858 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.693 0.345 -0.066 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.929 -0.402 -0.429 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.076 0.922 1.130 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.318 0.174 0.765 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.390 0.836 1.546 1.00 0.00 C ATOM 0 H PHE A 33 -13.979 -3.713 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.975 -2.584 -2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.434 -0.322 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -14.047 -0.973 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.664 0.415 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.658 -0.920 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.349 1.439 1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.346 0.107 1.088 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.692 1.286 2.480 1.00 0.00 H new ATOM 443 N ILE A 34 -10.805 -1.654 -0.586 1.00 0.00 N ATOM 444 CA ILE A 34 -9.963 -1.656 0.603 1.00 0.00 C ATOM 445 C ILE A 34 -9.406 -0.264 0.884 1.00 0.00 C ATOM 446 O ILE A 34 -8.791 0.358 0.018 1.00 0.00 O ATOM 447 CB ILE A 34 -8.791 -2.646 0.461 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.317 -4.052 0.166 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.942 -2.646 1.724 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.246 -5.011 -0.305 1.00 0.00 C ATOM 0 H ILE A 34 -10.527 -0.980 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.593 -1.968 1.436 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.165 -2.330 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.782 -4.453 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.096 -3.988 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.118 -3.350 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.543 -1.646 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.556 -2.942 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.690 -5.988 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.796 -4.632 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.478 -5.105 0.463 1.00 0.00 H new ATOM 462 N LYS A 35 -9.624 0.219 2.103 1.00 0.00 N ATOM 463 CA LYS A 35 -9.142 1.536 2.502 1.00 0.00 C ATOM 464 C LYS A 35 -7.686 1.469 2.954 1.00 0.00 C ATOM 465 O LYS A 35 -7.329 0.659 3.811 1.00 0.00 O ATOM 466 CB LYS A 35 -10.011 2.100 3.628 1.00 0.00 C ATOM 467 CG LYS A 35 -9.814 3.588 3.861 1.00 0.00 C ATOM 468 CD LYS A 35 -10.384 4.411 2.718 1.00 0.00 C ATOM 469 CE LYS A 35 -9.950 5.866 2.808 1.00 0.00 C ATOM 470 NZ LYS A 35 -10.906 6.681 3.607 1.00 0.00 N ATOM 0 H LYS A 35 -10.132 -0.282 2.832 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.205 2.196 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.059 1.913 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.789 1.564 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.296 3.878 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.751 3.803 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.057 3.991 1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.472 4.353 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.959 5.922 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.867 6.283 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.440 7.557 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.733 6.917 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.214 6.138 4.439 1.00 0.00 H new ATOM 484 N LEU A 36 -6.852 2.324 2.374 1.00 0.00 N ATOM 485 CA LEU A 36 -5.435 2.363 2.719 1.00 0.00 C ATOM 486 C LEU A 36 -5.095 3.639 3.483 1.00 0.00 C ATOM 487 O LEU A 36 -5.762 4.663 3.332 1.00 0.00 O ATOM 488 CB LEU A 36 -4.579 2.269 1.454 1.00 0.00 C ATOM 489 CG LEU A 36 -4.220 0.857 0.991 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.456 0.116 2.077 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.474 0.088 0.600 1.00 0.00 C ATOM 0 H LEU A 36 -7.132 3.000 1.663 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.219 1.509 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.107 2.772 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.654 2.821 1.623 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.578 0.937 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.209 -0.887 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.538 0.656 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.072 0.047 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.199 -0.915 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.141 0.019 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.981 0.608 -0.213 1.00 0.00 H new ATOM 503 N THR A 37 -4.051 3.571 4.303 1.00 0.00 N ATOM 504 CA THR A 37 -3.621 4.720 5.090 1.00 0.00 C ATOM 505 C THR A 37 -2.150 4.605 5.474 1.00 0.00 C ATOM 506 O THR A 37 -1.720 3.588 6.018 1.00 0.00 O ATOM 507 CB THR A 37 -4.464 4.871 6.370 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.661 3.591 6.981 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.812 5.503 6.059 1.00 0.00 C ATOM 0 H THR A 37 -3.487 2.732 4.439 1.00 0.00 H new ATOM 0 HA THR A 37 -3.762 5.602 4.465 1.00 0.00 H new ATOM 0 HB THR A 37 -3.925 5.522 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.903 3.712 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.389 5.599 6.978 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.659 6.490 5.621 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.355 4.874 5.354 1.00 0.00 H new ATOM 517 N TRP A 38 -1.385 5.652 5.188 1.00 0.00 N ATOM 518 CA TRP A 38 0.038 5.667 5.505 1.00 0.00 C ATOM 519 C TRP A 38 0.470 7.042 6.004 1.00 0.00 C ATOM 520 O TRP A 38 -0.314 7.991 5.991 1.00 0.00 O ATOM 521 CB TRP A 38 0.860 5.276 4.275 1.00 0.00 C ATOM 522 CG TRP A 38 0.601 6.151 3.085 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.197 7.347 2.803 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.322 5.899 2.021 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.699 7.853 1.626 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.233 6.983 1.126 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.213 4.861 1.734 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -1.003 7.058 -0.032 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.977 4.937 0.585 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.867 6.029 -0.287 1.00 0.00 C ATOM 0 H TRP A 38 -1.726 6.501 4.737 1.00 0.00 H new ATOM 0 HA TRP A 38 0.216 4.941 6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.920 5.320 4.526 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.638 4.242 4.012 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.948 7.825 3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.978 8.734 1.195 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.303 4.014 2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.921 7.899 -0.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.671 4.142 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.477 6.058 -1.178 1.00 0.00 H new ATOM 541 N ARG A 39 1.721 7.141 6.442 1.00 0.00 N ATOM 542 CA ARG A 39 2.255 8.400 6.947 1.00 0.00 C ATOM 543 C ARG A 39 3.242 9.009 5.954 1.00 0.00 C ATOM 544 O ARG A 39 3.513 8.434 4.899 1.00 0.00 O ATOM 545 CB ARG A 39 2.942 8.183 8.296 1.00 0.00 C ATOM 546 CG ARG A 39 2.030 7.585 9.354 1.00 0.00 C ATOM 547 CD ARG A 39 1.265 8.663 10.105 1.00 0.00 C ATOM 548 NE ARG A 39 2.154 9.535 10.867 1.00 0.00 N ATOM 549 CZ ARG A 39 1.766 10.681 11.416 1.00 0.00 C ATOM 550 NH1 ARG A 39 0.512 11.090 11.288 1.00 0.00 N ATOM 551 NH2 ARG A 39 2.634 11.420 12.096 1.00 0.00 N ATOM 0 H ARG A 39 2.383 6.365 6.457 1.00 0.00 H new ATOM 0 HA ARG A 39 1.423 9.092 7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.801 7.527 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.326 9.137 8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.326 6.899 8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.622 7.000 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.691 9.260 9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.549 8.195 10.781 1.00 0.00 H new ATOM 0 HE ARG A 39 3.126 9.249 10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.158 10.525 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.217 11.970 11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.600 11.108 12.197 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.335 12.300 12.517 1.00 0.00 H new ATOM 565 N THR A 40 3.775 10.177 6.298 1.00 0.00 N ATOM 566 CA THR A 40 4.730 10.864 5.437 1.00 0.00 C ATOM 567 C THR A 40 6.075 10.148 5.426 1.00 0.00 C ATOM 568 O THR A 40 6.545 9.642 6.446 1.00 0.00 O ATOM 569 CB THR A 40 4.941 12.323 5.885 1.00 0.00 C ATOM 570 OG1 THR A 40 4.793 12.425 7.306 1.00 0.00 O ATOM 571 CG2 THR A 40 3.948 13.249 5.199 1.00 0.00 C ATOM 0 H THR A 40 3.562 10.667 7.167 1.00 0.00 H new ATOM 0 HA THR A 40 4.310 10.857 4.431 1.00 0.00 H new ATOM 0 HB THR A 40 5.950 12.625 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.007 13.337 7.593 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.116 14.273 5.531 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.083 13.191 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.932 12.947 5.455 1.00 0.00 H new ATOM 579 N PRO A 41 6.713 10.103 4.247 1.00 0.00 N ATOM 580 CA PRO A 41 8.015 9.452 4.076 1.00 0.00 C ATOM 581 C PRO A 41 9.140 10.215 4.767 1.00 0.00 C ATOM 582 O PRO A 41 9.055 11.428 4.957 1.00 0.00 O ATOM 583 CB PRO A 41 8.218 9.458 2.559 1.00 0.00 C ATOM 584 CG PRO A 41 7.400 10.604 2.072 1.00 0.00 C ATOM 585 CD PRO A 41 6.213 10.685 2.991 1.00 0.00 C ATOM 0 HA PRO A 41 8.034 8.456 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.269 9.584 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.890 8.519 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.974 11.530 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.085 10.448 1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.881 11.714 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.363 10.126 2.600 1.00 0.00 H new ATOM 593 N ALA A 42 10.194 9.497 5.139 1.00 0.00 N ATOM 594 CA ALA A 42 11.338 10.107 5.807 1.00 0.00 C ATOM 595 C ALA A 42 11.897 11.266 4.988 1.00 0.00 C ATOM 596 O ALA A 42 12.326 12.279 5.541 1.00 0.00 O ATOM 597 CB ALA A 42 12.419 9.067 6.060 1.00 0.00 C ATOM 0 H ALA A 42 10.280 8.492 4.989 1.00 0.00 H new ATOM 0 HA ALA A 42 11.000 10.502 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.266 9.537 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.020 8.274 6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.746 8.644 5.110 1.00 0.00 H new ATOM 603 N SER A 43 11.889 11.110 3.668 1.00 0.00 N ATOM 604 CA SER A 43 12.400 12.142 2.773 1.00 0.00 C ATOM 605 C SER A 43 11.508 13.379 2.805 1.00 0.00 C ATOM 606 O SER A 43 11.995 14.510 2.796 1.00 0.00 O ATOM 607 CB SER A 43 12.496 11.605 1.344 1.00 0.00 C ATOM 608 OG SER A 43 13.384 10.503 1.272 1.00 0.00 O ATOM 0 H SER A 43 11.534 10.279 3.195 1.00 0.00 H new ATOM 0 HA SER A 43 13.396 12.425 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.507 11.303 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.838 12.396 0.677 1.00 0.00 H new ATOM 0 HG SER A 43 13.427 10.177 0.349 1.00 0.00 H new ATOM 614 N ASP A 44 10.199 13.156 2.843 1.00 0.00 N ATOM 615 CA ASP A 44 9.237 14.251 2.877 1.00 0.00 C ATOM 616 C ASP A 44 8.299 14.113 4.072 1.00 0.00 C ATOM 617 O ASP A 44 7.301 13.393 4.029 1.00 0.00 O ATOM 618 CB ASP A 44 8.429 14.289 1.580 1.00 0.00 C ATOM 619 CG ASP A 44 9.129 15.067 0.483 1.00 0.00 C ATOM 620 OD1 ASP A 44 9.951 14.465 -0.239 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.855 16.278 0.347 1.00 0.00 O ATOM 0 H ASP A 44 9.780 12.226 2.851 1.00 0.00 H new ATOM 0 HA ASP A 44 9.790 15.185 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.247 13.270 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.455 14.738 1.775 1.00 0.00 H new ATOM 626 N PRO A 45 8.625 14.818 5.166 1.00 0.00 N ATOM 627 CA PRO A 45 7.825 14.790 6.393 1.00 0.00 C ATOM 628 C PRO A 45 6.480 15.489 6.225 1.00 0.00 C ATOM 629 O PRO A 45 5.643 15.473 7.128 1.00 0.00 O ATOM 630 CB PRO A 45 8.696 15.542 7.402 1.00 0.00 C ATOM 631 CG PRO A 45 9.549 16.438 6.572 1.00 0.00 C ATOM 632 CD PRO A 45 9.801 15.696 5.288 1.00 0.00 C ATOM 0 HA PRO A 45 7.580 13.772 6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.087 16.113 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.301 14.854 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.049 17.388 6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.485 16.667 7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.885 16.376 4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.728 15.123 5.330 1.00 0.00 H new ATOM 640 N HIS A 46 6.279 16.102 5.063 1.00 0.00 N ATOM 641 CA HIS A 46 5.034 16.806 4.775 1.00 0.00 C ATOM 642 C HIS A 46 4.313 16.173 3.589 1.00 0.00 C ATOM 643 O HIS A 46 3.092 16.267 3.470 1.00 0.00 O ATOM 644 CB HIS A 46 5.313 18.282 4.489 1.00 0.00 C ATOM 645 CG HIS A 46 5.454 19.116 5.725 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.388 19.741 6.337 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.545 19.423 6.466 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.818 20.399 7.399 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.123 20.222 7.500 1.00 0.00 N ATOM 0 H HIS A 46 6.962 16.126 4.306 1.00 0.00 H new ATOM 0 HA HIS A 46 4.391 16.729 5.651 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.227 18.363 3.900 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.504 18.685 3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.558 19.100 6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.206 20.983 8.071 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.720 20.615 8.228 1.00 0.00 H new ATOM 658 N GLY A 47 5.078 15.528 2.713 1.00 0.00 N ATOM 659 CA GLY A 47 4.494 14.891 1.547 1.00 0.00 C ATOM 660 C GLY A 47 3.280 15.633 1.027 1.00 0.00 C ATOM 661 O GLY A 47 2.284 15.018 0.643 1.00 0.00 O ATOM 0 H GLY A 47 6.091 15.435 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.243 14.829 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.211 13.869 1.799 1.00 0.00 H new ATOM 665 N ASP A 48 3.359 16.959 1.015 1.00 0.00 N ATOM 666 CA ASP A 48 2.258 17.787 0.538 1.00 0.00 C ATOM 667 C ASP A 48 2.495 18.232 -0.901 1.00 0.00 C ATOM 668 O ASP A 48 1.558 18.590 -1.614 1.00 0.00 O ATOM 669 CB ASP A 48 2.083 19.010 1.440 1.00 0.00 C ATOM 670 CG ASP A 48 1.209 18.721 2.645 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.026 18.650 2.477 1.00 0.00 O ATOM 672 OD2 ASP A 48 1.760 18.566 3.755 1.00 0.00 O ATOM 0 H ASP A 48 4.175 17.484 1.330 1.00 0.00 H new ATOM 0 HA ASP A 48 1.348 17.189 0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.061 19.351 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.643 19.824 0.863 1.00 0.00 H new ATOM 677 N ASN A 49 3.756 18.207 -1.323 1.00 0.00 N ATOM 678 CA ASN A 49 4.117 18.610 -2.677 1.00 0.00 C ATOM 679 C ASN A 49 4.471 17.395 -3.529 1.00 0.00 C ATOM 680 O ASN A 49 5.229 17.499 -4.495 1.00 0.00 O ATOM 681 CB ASN A 49 5.296 19.585 -2.645 1.00 0.00 C ATOM 682 CG ASN A 49 6.228 19.326 -1.477 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.552 20.236 -0.714 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.664 18.080 -1.332 1.00 0.00 N ATOM 0 H ASN A 49 4.544 17.912 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 49 3.256 19.107 -3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.855 19.506 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.918 20.606 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.293 17.846 -0.564 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.369 17.357 -1.988 1.00 0.00 H new ATOM 691 N LEU A 50 3.917 16.243 -3.167 1.00 0.00 N ATOM 692 CA LEU A 50 4.173 15.007 -3.898 1.00 0.00 C ATOM 693 C LEU A 50 2.977 14.064 -3.809 1.00 0.00 C ATOM 694 O LEU A 50 2.405 13.867 -2.736 1.00 0.00 O ATOM 695 CB LEU A 50 5.423 14.317 -3.350 1.00 0.00 C ATOM 696 CG LEU A 50 5.640 14.421 -1.840 1.00 0.00 C ATOM 697 CD1 LEU A 50 4.924 13.291 -1.118 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.126 14.409 -1.513 1.00 0.00 C ATOM 0 H LEU A 50 3.287 16.139 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 50 4.335 15.260 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.378 13.262 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.295 14.737 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 50 5.220 15.366 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.090 13.382 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.855 13.346 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.312 12.334 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.262 14.484 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.570 13.480 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.612 15.255 -1.999 1.00 0.00 H new ATOM 710 N THR A 51 2.603 13.481 -4.944 1.00 0.00 N ATOM 711 CA THR A 51 1.477 12.558 -4.995 1.00 0.00 C ATOM 712 C THR A 51 1.885 11.166 -4.527 1.00 0.00 C ATOM 713 O THR A 51 3.069 10.829 -4.511 1.00 0.00 O ATOM 714 CB THR A 51 0.895 12.460 -6.417 1.00 0.00 C ATOM 715 OG1 THR A 51 1.084 13.698 -7.111 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.587 12.118 -6.374 1.00 0.00 C ATOM 0 H THR A 51 3.065 13.632 -5.841 1.00 0.00 H new ATOM 0 HA THR A 51 0.714 12.954 -4.325 1.00 0.00 H new ATOM 0 HB THR A 51 1.420 11.664 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.713 13.626 -8.015 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.975 12.054 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.725 11.160 -5.872 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.124 12.894 -5.828 1.00 0.00 H new ATOM 724 N TYR A 52 0.899 10.361 -4.148 1.00 0.00 N ATOM 725 CA TYR A 52 1.156 9.005 -3.679 1.00 0.00 C ATOM 726 C TYR A 52 0.491 7.978 -4.590 1.00 0.00 C ATOM 727 O TYR A 52 -0.688 8.097 -4.923 1.00 0.00 O ATOM 728 CB TYR A 52 0.650 8.835 -2.245 1.00 0.00 C ATOM 729 CG TYR A 52 1.490 9.558 -1.217 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.797 9.163 -0.957 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.977 10.634 -0.504 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.568 9.820 -0.018 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.742 11.298 0.436 1.00 0.00 C ATOM 734 CZ TYR A 52 3.036 10.887 0.676 1.00 0.00 C ATOM 735 OH TYR A 52 3.800 11.544 1.612 1.00 0.00 O ATOM 0 H TYR A 52 -0.086 10.624 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 52 2.233 8.838 -3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.376 9.199 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.626 7.773 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.217 8.328 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.037 10.957 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.582 9.500 0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.328 12.134 0.980 1.00 0.00 H new ATOM 0 HH TYR A 52 4.656 11.803 1.212 1.00 0.00 H new ATOM 745 N SER A 53 1.258 6.968 -4.990 1.00 0.00 N ATOM 746 CA SER A 53 0.746 5.920 -5.865 1.00 0.00 C ATOM 747 C SER A 53 0.365 4.679 -5.063 1.00 0.00 C ATOM 748 O SER A 53 0.804 4.503 -3.926 1.00 0.00 O ATOM 749 CB SER A 53 1.788 5.556 -6.924 1.00 0.00 C ATOM 750 OG SER A 53 2.602 4.480 -6.490 1.00 0.00 O ATOM 0 H SER A 53 2.236 6.854 -4.722 1.00 0.00 H new ATOM 0 HA SER A 53 -0.148 6.300 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.287 5.285 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.411 6.424 -7.139 1.00 0.00 H new ATOM 0 HG SER A 53 2.519 3.733 -7.119 1.00 0.00 H new ATOM 756 N VAL A 54 -0.454 3.822 -5.663 1.00 0.00 N ATOM 757 CA VAL A 54 -0.894 2.597 -5.006 1.00 0.00 C ATOM 758 C VAL A 54 -1.018 1.452 -6.005 1.00 0.00 C ATOM 759 O VAL A 54 -1.962 1.401 -6.794 1.00 0.00 O ATOM 760 CB VAL A 54 -2.248 2.795 -4.299 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.761 1.472 -3.748 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.123 3.830 -3.191 1.00 0.00 C ATOM 0 H VAL A 54 -0.827 3.953 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.137 2.347 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.970 3.162 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.718 1.631 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.889 0.763 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.043 1.073 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.089 3.958 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.388 3.494 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.803 4.781 -3.616 1.00 0.00 H new ATOM 772 N PHE A 55 -0.057 0.534 -5.966 1.00 0.00 N ATOM 773 CA PHE A 55 -0.058 -0.612 -6.869 1.00 0.00 C ATOM 774 C PHE A 55 -0.666 -1.837 -6.192 1.00 0.00 C ATOM 775 O PHE A 55 -0.146 -2.328 -5.190 1.00 0.00 O ATOM 776 CB PHE A 55 1.367 -0.925 -7.331 1.00 0.00 C ATOM 777 CG PHE A 55 2.067 0.250 -7.952 1.00 0.00 C ATOM 778 CD1 PHE A 55 1.978 0.484 -9.315 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.813 1.120 -7.174 1.00 0.00 C ATOM 780 CE1 PHE A 55 2.622 1.563 -9.890 1.00 0.00 C ATOM 781 CE2 PHE A 55 3.459 2.201 -7.744 1.00 0.00 C ATOM 782 CZ PHE A 55 3.362 2.424 -9.103 1.00 0.00 C ATOM 0 H PHE A 55 0.732 0.561 -5.320 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.667 -0.359 -7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.948 -1.275 -6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.336 -1.742 -8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.399 -0.184 -9.935 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.891 0.952 -6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.547 1.733 -10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.039 2.871 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.864 3.270 -9.550 1.00 0.00 H new ATOM 792 N TYR A 56 -1.770 -2.324 -6.746 1.00 0.00 N ATOM 793 CA TYR A 56 -2.452 -3.489 -6.196 1.00 0.00 C ATOM 794 C TYR A 56 -2.471 -4.635 -7.202 1.00 0.00 C ATOM 795 O TYR A 56 -2.448 -4.415 -8.414 1.00 0.00 O ATOM 796 CB TYR A 56 -3.882 -3.126 -5.791 1.00 0.00 C ATOM 797 CG TYR A 56 -4.669 -2.450 -6.891 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.606 -1.073 -7.071 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.476 -3.186 -7.749 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.323 -0.451 -8.074 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.195 -2.572 -8.756 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.116 -1.204 -8.914 1.00 0.00 C ATOM 803 OH TYR A 56 -6.833 -0.589 -9.914 1.00 0.00 O ATOM 0 H TYR A 56 -2.212 -1.930 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.904 -3.815 -5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.405 -4.032 -5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.849 -2.468 -4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.986 -0.480 -6.415 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.543 -4.257 -7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.263 0.620 -8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.816 -3.160 -9.416 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.339 -1.262 -10.416 1.00 0.00 H new ATOM 813 N THR A 57 -2.515 -5.862 -6.692 1.00 0.00 N ATOM 814 CA THR A 57 -2.538 -7.044 -7.544 1.00 0.00 C ATOM 815 C THR A 57 -2.774 -8.308 -6.726 1.00 0.00 C ATOM 816 O THR A 57 -2.373 -8.392 -5.565 1.00 0.00 O ATOM 817 CB THR A 57 -1.222 -7.194 -8.331 1.00 0.00 C ATOM 818 OG1 THR A 57 -1.141 -8.504 -8.904 1.00 0.00 O ATOM 819 CG2 THR A 57 -0.021 -6.955 -7.428 1.00 0.00 C ATOM 0 H THR A 57 -2.535 -6.063 -5.692 1.00 0.00 H new ATOM 0 HA THR A 57 -3.361 -6.911 -8.247 1.00 0.00 H new ATOM 0 HB THR A 57 -1.213 -6.448 -9.126 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.303 -8.591 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.897 -7.066 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.070 -5.947 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.028 -7.680 -6.614 1.00 0.00 H new ATOM 827 N LYS A 58 -3.427 -9.290 -7.338 1.00 0.00 N ATOM 828 CA LYS A 58 -3.715 -10.552 -6.667 1.00 0.00 C ATOM 829 C LYS A 58 -2.472 -11.434 -6.608 1.00 0.00 C ATOM 830 O LYS A 58 -1.790 -11.627 -7.614 1.00 0.00 O ATOM 831 CB LYS A 58 -4.844 -11.291 -7.389 1.00 0.00 C ATOM 832 CG LYS A 58 -5.697 -12.148 -6.469 1.00 0.00 C ATOM 833 CD LYS A 58 -5.005 -13.456 -6.125 1.00 0.00 C ATOM 834 CE LYS A 58 -4.987 -14.406 -7.313 1.00 0.00 C ATOM 835 NZ LYS A 58 -4.818 -15.823 -6.887 1.00 0.00 N ATOM 0 H LYS A 58 -3.767 -9.236 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.029 -10.329 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.483 -10.562 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.414 -11.923 -8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.912 -11.597 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.654 -12.356 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.983 -13.255 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.516 -13.930 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.916 -14.304 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.176 -14.130 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.811 -16.439 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.920 -15.926 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.606 -16.095 -6.265 1.00 0.00 H new ATOM 924 N GLU A 64 -0.402 -5.688 -11.880 1.00 0.00 N ATOM 925 CA GLU A 64 -0.799 -4.692 -10.891 1.00 0.00 C ATOM 926 C GLU A 64 -1.029 -3.334 -11.548 1.00 0.00 C ATOM 927 O GLU A 64 -0.348 -2.974 -12.509 1.00 0.00 O ATOM 928 CB GLU A 64 0.269 -4.570 -9.802 1.00 0.00 C ATOM 929 CG GLU A 64 1.381 -3.595 -10.146 1.00 0.00 C ATOM 930 CD GLU A 64 2.694 -3.946 -9.474 1.00 0.00 C ATOM 931 OE1 GLU A 64 3.463 -4.741 -10.054 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.953 -3.426 -8.368 1.00 0.00 O ATOM 0 HA GLU A 64 -1.735 -5.020 -10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.206 -4.253 -8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.703 -5.553 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.523 -3.579 -11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.082 -2.590 -9.849 1.00 0.00 H new ATOM 939 N ARG A 65 -1.993 -2.585 -11.022 1.00 0.00 N ATOM 940 CA ARG A 65 -2.315 -1.268 -11.558 1.00 0.00 C ATOM 941 C ARG A 65 -2.042 -0.180 -10.524 1.00 0.00 C ATOM 942 O ARG A 65 -2.174 -0.405 -9.320 1.00 0.00 O ATOM 943 CB ARG A 65 -3.779 -1.216 -11.996 1.00 0.00 C ATOM 944 CG ARG A 65 -4.065 -2.006 -13.262 1.00 0.00 C ATOM 945 CD ARG A 65 -5.344 -1.534 -13.936 1.00 0.00 C ATOM 946 NE ARG A 65 -5.298 -1.715 -15.385 1.00 0.00 N ATOM 947 CZ ARG A 65 -4.487 -1.033 -16.185 1.00 0.00 C ATOM 948 NH1 ARG A 65 -3.658 -0.129 -15.681 1.00 0.00 N ATOM 949 NH2 ARG A 65 -4.503 -1.254 -17.494 1.00 0.00 N ATOM 0 H ARG A 65 -2.564 -2.868 -10.226 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.678 -1.090 -12.425 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.404 -1.599 -11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.065 -0.176 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.229 -1.903 -13.953 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.150 -3.065 -13.020 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.193 -2.084 -13.529 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.507 -0.481 -13.707 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.923 -2.403 -15.805 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.642 0.044 -14.676 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.036 0.393 -16.298 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.139 -1.948 -17.886 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.879 -0.729 -18.107 1.00 0.00 H new ATOM 963 N VAL A 66 -1.662 1.001 -11.001 1.00 0.00 N ATOM 964 CA VAL A 66 -1.372 2.125 -10.119 1.00 0.00 C ATOM 965 C VAL A 66 -2.589 3.029 -9.962 1.00 0.00 C ATOM 966 O VAL A 66 -3.301 3.302 -10.928 1.00 0.00 O ATOM 967 CB VAL A 66 -0.190 2.961 -10.645 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.633 3.844 -11.801 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.411 3.797 -9.525 1.00 0.00 C ATOM 0 H VAL A 66 -1.548 1.204 -11.994 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.107 1.705 -9.149 1.00 0.00 H new ATOM 0 HB VAL A 66 0.578 2.281 -11.013 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.215 4.427 -12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.013 3.220 -12.610 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.420 4.518 -11.463 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.245 4.381 -9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.348 4.469 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.768 3.140 -8.732 1.00 0.00 H new ATOM 979 N GLU A 67 -2.823 3.491 -8.737 1.00 0.00 N ATOM 980 CA GLU A 67 -3.955 4.365 -8.454 1.00 0.00 C ATOM 981 C GLU A 67 -3.497 5.639 -7.750 1.00 0.00 C ATOM 982 O GLU A 67 -3.189 5.626 -6.559 1.00 0.00 O ATOM 983 CB GLU A 67 -4.987 3.635 -7.591 1.00 0.00 C ATOM 984 CG GLU A 67 -6.412 4.115 -7.810 1.00 0.00 C ATOM 985 CD GLU A 67 -7.077 3.447 -8.998 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.569 3.605 -10.128 1.00 0.00 O ATOM 987 OE2 GLU A 67 -8.104 2.766 -8.798 1.00 0.00 O ATOM 0 H GLU A 67 -2.244 3.274 -7.926 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.415 4.641 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.936 2.567 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.726 3.764 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.999 3.920 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.409 5.195 -7.960 1.00 0.00 H new ATOM 994 N ASN A 68 -3.454 6.738 -8.497 1.00 0.00 N ATOM 995 CA ASN A 68 -3.032 8.020 -7.945 1.00 0.00 C ATOM 996 C ASN A 68 -4.085 8.575 -6.991 1.00 0.00 C ATOM 997 O ASN A 68 -5.251 8.729 -7.357 1.00 0.00 O ATOM 998 CB ASN A 68 -2.770 9.022 -9.072 1.00 0.00 C ATOM 999 CG ASN A 68 -2.048 8.393 -10.248 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -2.587 8.316 -11.352 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -0.822 7.939 -10.016 1.00 0.00 N ATOM 0 H ASN A 68 -3.706 6.766 -9.485 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.110 7.861 -7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.718 9.439 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.177 9.852 -8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.288 7.505 -10.769 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.414 8.024 -9.085 1.00 0.00 H new ATOM 1008 N THR A 69 -3.667 8.875 -5.766 1.00 0.00 N ATOM 1009 CA THR A 69 -4.573 9.413 -4.759 1.00 0.00 C ATOM 1010 C THR A 69 -5.397 10.566 -5.320 1.00 0.00 C ATOM 1011 O THR A 69 -4.849 11.538 -5.838 1.00 0.00 O ATOM 1012 CB THR A 69 -3.805 9.902 -3.516 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.875 10.926 -3.887 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.063 8.753 -2.851 1.00 0.00 C ATOM 0 H THR A 69 -2.706 8.754 -5.447 1.00 0.00 H new ATOM 0 HA THR A 69 -5.240 8.601 -4.469 1.00 0.00 H new ATOM 0 HB THR A 69 -4.527 10.306 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.931 11.666 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.528 9.123 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.777 7.988 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.351 8.323 -3.556 1.00 0.00 H new ATOM 1022 N SER A 70 -6.717 10.451 -5.212 1.00 0.00 N ATOM 1023 CA SER A 70 -7.617 11.483 -5.712 1.00 0.00 C ATOM 1024 C SER A 70 -7.012 12.871 -5.523 1.00 0.00 C ATOM 1025 O SER A 70 -7.245 13.777 -6.322 1.00 0.00 O ATOM 1026 CB SER A 70 -8.968 11.402 -4.998 1.00 0.00 C ATOM 1027 OG SER A 70 -9.653 10.209 -5.337 1.00 0.00 O ATOM 0 H SER A 70 -7.186 9.654 -4.783 1.00 0.00 H new ATOM 0 HA SER A 70 -7.767 11.313 -6.778 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.816 11.444 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.578 12.264 -5.268 1.00 0.00 H new ATOM 0 HG SER A 70 -10.512 10.180 -4.867 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.232 13.028 -4.458 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.591 14.305 -4.162 1.00 0.00 C ATOM 1035 C HIS A 71 -4.127 14.103 -3.783 1.00 0.00 C ATOM 1036 O HIS A 71 -3.752 13.106 -3.167 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.329 15.019 -3.029 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.813 15.072 -3.221 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.436 16.008 -4.019 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.800 14.296 -2.713 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.742 15.807 -3.993 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.988 14.774 -3.208 1.00 0.00 N ATOM 0 H HIS A 71 -6.029 12.288 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.634 14.922 -5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.110 14.513 -2.089 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.946 16.036 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.676 13.458 -2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.482 16.388 -4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.912 14.393 -3.003 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.279 15.071 -4.161 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.842 15.022 -3.872 1.00 0.00 C ATOM 1053 C PRO A 72 -1.543 15.203 -2.388 1.00 0.00 C ATOM 1054 O PRO A 72 -1.972 16.179 -1.773 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.278 16.194 -4.678 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.420 17.140 -4.821 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.656 16.288 -4.898 1.00 0.00 C ATOM 0 HA PRO A 72 -1.406 14.058 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.439 16.661 -4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.912 15.866 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.469 17.823 -3.973 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.311 17.751 -5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.514 16.783 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.926 16.065 -5.930 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.803 14.257 -1.818 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.459 14.332 -0.410 1.00 0.00 C ATOM 1067 C GLY A 73 -1.350 13.460 0.452 1.00 0.00 C ATOM 1068 O GLY A 73 -0.916 12.946 1.483 1.00 0.00 O ATOM 0 H GLY A 73 -0.436 13.440 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.579 14.029 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.535 15.367 -0.075 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.600 13.294 0.030 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.554 12.479 0.773 1.00 0.00 C ATOM 1074 C GLU A 74 -2.864 11.277 1.411 1.00 0.00 C ATOM 1075 O GLU A 74 -2.227 10.478 0.725 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.680 12.005 -0.149 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.918 11.533 0.596 1.00 0.00 C ATOM 1078 CD GLU A 74 -7.047 11.143 -0.338 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.758 10.782 -1.499 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -8.218 11.200 0.090 1.00 0.00 O ATOM 0 H GLU A 74 -2.975 13.713 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.978 13.095 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.957 12.819 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.309 11.192 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.658 10.679 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.260 12.324 1.263 1.00 0.00 H new ATOM 1087 N MET A 75 -2.995 11.157 2.728 1.00 0.00 N ATOM 1088 CA MET A 75 -2.384 10.053 3.458 1.00 0.00 C ATOM 1089 C MET A 75 -3.327 8.856 3.523 1.00 0.00 C ATOM 1090 O MET A 75 -3.254 8.046 4.447 1.00 0.00 O ATOM 1091 CB MET A 75 -2.006 10.496 4.873 1.00 0.00 C ATOM 1092 CG MET A 75 -0.850 11.482 4.912 1.00 0.00 C ATOM 1093 SD MET A 75 0.753 10.669 5.045 1.00 0.00 S ATOM 1094 CE MET A 75 1.297 10.713 3.339 1.00 0.00 C ATOM 0 H MET A 75 -3.518 11.810 3.311 1.00 0.00 H new ATOM 0 HA MET A 75 -1.481 9.754 2.925 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.876 10.950 5.348 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.744 9.617 5.462 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.869 12.094 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.982 12.157 5.758 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.155 10.053 3.214 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.486 10.382 2.690 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.581 11.731 3.074 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.212 8.751 2.536 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.170 7.653 2.483 1.00 0.00 C ATOM 1106 C GLN A 76 -5.867 7.604 1.127 1.00 0.00 C ATOM 1107 O GLN A 76 -6.155 8.640 0.528 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.207 7.799 3.598 1.00 0.00 C ATOM 1109 CG GLN A 76 -7.139 8.985 3.411 1.00 0.00 C ATOM 1110 CD GLN A 76 -8.072 9.186 4.588 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -9.294 9.172 4.436 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -7.500 9.374 5.772 1.00 0.00 N ATOM 0 H GLN A 76 -4.285 9.413 1.763 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.624 6.720 2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.800 6.886 3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.690 7.901 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.546 9.888 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.729 8.840 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.483 9.378 5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.078 9.514 6.601 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.135 6.394 0.649 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.799 6.209 -0.636 1.00 0.00 C ATOM 1123 C VAL A 77 -7.730 5.003 -0.606 1.00 0.00 C ATOM 1124 O VAL A 77 -7.656 4.170 0.298 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.778 6.027 -1.775 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.072 4.685 -1.650 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.460 6.156 -3.128 1.00 0.00 C ATOM 0 H VAL A 77 -5.903 5.526 1.132 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.383 7.110 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.028 6.814 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.355 4.574 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.549 4.637 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.806 3.881 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.723 6.025 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.233 5.393 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.914 7.143 -3.214 1.00 0.00 H new ATOM 1137 N THR A 78 -8.608 4.913 -1.601 1.00 0.00 N ATOM 1138 CA THR A 78 -9.554 3.809 -1.688 1.00 0.00 C ATOM 1139 C THR A 78 -9.369 3.027 -2.983 1.00 0.00 C ATOM 1140 O THR A 78 -9.277 3.611 -4.064 1.00 0.00 O ATOM 1141 CB THR A 78 -11.009 4.308 -1.607 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.199 5.071 -0.410 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.984 3.141 -1.631 1.00 0.00 C ATOM 0 H THR A 78 -8.683 5.593 -2.358 1.00 0.00 H new ATOM 0 HA THR A 78 -9.354 3.154 -0.840 1.00 0.00 H new ATOM 0 HB THR A 78 -11.202 4.939 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.126 5.386 -0.367 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.005 3.519 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.857 2.580 -2.557 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.790 2.487 -0.781 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.316 1.704 -2.868 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.144 0.843 -4.031 1.00 0.00 C ATOM 1153 C ILE A 79 -10.390 0.001 -4.281 1.00 0.00 C ATOM 1154 O ILE A 79 -10.540 -1.084 -3.721 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.931 -0.092 -3.865 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.719 0.694 -3.362 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.612 -0.784 -5.181 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.175 1.679 -4.374 1.00 0.00 C ATOM 0 H ILE A 79 -9.390 1.206 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.974 1.498 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.177 -0.855 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.996 1.232 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.930 -0.006 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.753 -1.441 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.472 -1.372 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.382 -0.036 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.317 2.200 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.867 1.145 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.949 2.403 -4.630 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.281 0.508 -5.128 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.514 -0.198 -5.453 1.00 0.00 C ATOM 1172 C GLN A 80 -12.296 -1.172 -6.607 1.00 0.00 C ATOM 1173 O GLN A 80 -11.173 -1.351 -7.076 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.618 0.798 -5.812 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.851 1.858 -4.748 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.804 2.944 -5.205 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.153 3.025 -6.383 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -15.232 3.788 -4.272 1.00 0.00 N ATOM 0 H GLN A 80 -11.171 1.405 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.819 -0.767 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.362 1.288 -6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.547 0.253 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.249 1.385 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.897 2.309 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.917 3.684 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.875 4.540 -4.521 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.377 -1.797 -7.059 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.304 -2.753 -8.158 1.00 0.00 C ATOM 1189 C ASN A 81 -12.423 -3.942 -7.787 1.00 0.00 C ATOM 1190 O ASN A 81 -11.597 -4.390 -8.583 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.760 -2.075 -9.417 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.479 -0.777 -9.731 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.468 -0.764 -10.464 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.984 0.323 -9.175 1.00 0.00 N ATOM 0 H ASN A 81 -14.315 -1.659 -6.682 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.312 -3.117 -8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.696 -1.876 -9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.857 -2.755 -10.263 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.426 1.226 -9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.162 0.265 -8.574 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.604 -4.449 -6.572 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.826 -5.587 -6.094 1.00 0.00 C ATOM 1203 C LEU A 82 -12.731 -6.778 -5.795 1.00 0.00 C ATOM 1204 O LEU A 82 -13.950 -6.636 -5.704 1.00 0.00 O ATOM 1205 CB LEU A 82 -11.040 -5.202 -4.840 1.00 0.00 C ATOM 1206 CG LEU A 82 -10.082 -4.019 -4.985 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.420 -3.701 -3.653 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -9.033 -4.310 -6.048 1.00 0.00 C ATOM 0 H LEU A 82 -13.282 -4.090 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.127 -5.873 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.751 -4.973 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.467 -6.070 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.656 -3.147 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.742 -2.857 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.184 -3.449 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.859 -4.570 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.360 -3.457 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.463 -5.194 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.524 -4.487 -7.005 1.00 0.00 H new ATOM 1220 N MET A 83 -12.125 -7.951 -5.641 1.00 0.00 N ATOM 1221 CA MET A 83 -12.877 -9.166 -5.348 1.00 0.00 C ATOM 1222 C MET A 83 -12.767 -9.530 -3.871 1.00 0.00 C ATOM 1223 O MET A 83 -11.697 -9.457 -3.267 1.00 0.00 O ATOM 1224 CB MET A 83 -12.370 -10.324 -6.211 1.00 0.00 C ATOM 1225 CG MET A 83 -12.860 -11.686 -5.747 1.00 0.00 C ATOM 1226 SD MET A 83 -12.035 -13.047 -6.595 1.00 0.00 S ATOM 1227 CE MET A 83 -12.572 -12.769 -8.281 1.00 0.00 C ATOM 0 H MET A 83 -11.117 -8.086 -5.714 1.00 0.00 H new ATOM 0 HA MET A 83 -13.926 -8.981 -5.580 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.687 -10.164 -7.242 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.280 -10.319 -6.208 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.697 -11.780 -4.673 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.935 -11.757 -5.914 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.326 -13.639 -8.889 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.650 -12.608 -8.298 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.068 -11.890 -8.683 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.899 -9.933 -3.274 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.955 -10.317 -1.861 1.00 0.00 C ATOM 1239 C PRO A 84 -13.229 -11.629 -1.588 1.00 0.00 C ATOM 1240 O PRO A 84 -12.974 -12.411 -2.503 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.455 -10.469 -1.594 1.00 0.00 C ATOM 1242 CG PRO A 84 -16.046 -10.783 -2.925 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.211 -10.044 -3.934 1.00 0.00 C ATOM 0 HA PRO A 84 -13.466 -9.584 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.651 -11.265 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.878 -9.554 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.030 -11.856 -3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.088 -10.466 -2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.143 -10.589 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.630 -9.064 -4.163 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.900 -11.865 -0.322 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.205 -13.085 0.072 1.00 0.00 C ATOM 1253 C ALA A 85 -11.044 -13.384 -0.870 1.00 0.00 C ATOM 1254 O ALA A 85 -10.806 -14.537 -1.233 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.175 -14.257 0.107 1.00 0.00 C ATOM 0 H ALA A 85 -13.103 -11.228 0.448 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.798 -12.935 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.643 -15.161 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.968 -14.051 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.610 -14.399 -0.882 1.00 0.00 H new ATOM 1261 N THR A 86 -10.324 -12.339 -1.266 1.00 0.00 N ATOM 1262 CA THR A 86 -9.189 -12.490 -2.167 1.00 0.00 C ATOM 1263 C THR A 86 -8.025 -11.604 -1.739 1.00 0.00 C ATOM 1264 O THR A 86 -8.151 -10.381 -1.678 1.00 0.00 O ATOM 1265 CB THR A 86 -9.575 -12.145 -3.618 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.622 -13.013 -4.066 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.373 -12.272 -4.543 1.00 0.00 C ATOM 0 H THR A 86 -10.507 -11.378 -0.976 1.00 0.00 H new ATOM 0 HA THR A 86 -8.883 -13.535 -2.118 1.00 0.00 H new ATOM 0 HB THR A 86 -9.924 -11.113 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.620 -13.050 -5.045 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.670 -12.024 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.589 -11.589 -4.217 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.998 -13.295 -4.514 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.890 -12.229 -1.443 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.701 -11.497 -1.021 1.00 0.00 C ATOM 1277 C VAL A 87 -5.232 -10.538 -2.109 1.00 0.00 C ATOM 1278 O VAL A 87 -5.397 -10.805 -3.300 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.549 -12.455 -0.665 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.244 -11.688 -0.516 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.871 -13.227 0.605 1.00 0.00 C ATOM 0 H VAL A 87 -6.768 -13.241 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.978 -10.928 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.431 -13.172 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.441 -12.381 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.008 -11.185 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.346 -10.947 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.046 -13.899 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.017 -12.528 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.781 -13.808 0.457 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.648 -9.420 -1.693 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.156 -8.419 -2.632 1.00 0.00 C ATOM 1293 C TYR A 88 -2.905 -7.733 -2.092 1.00 0.00 C ATOM 1294 O TYR A 88 -2.847 -7.355 -0.921 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.240 -7.377 -2.913 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.304 -7.855 -3.875 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -6.021 -8.032 -5.223 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.594 -8.130 -3.435 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.990 -8.468 -6.106 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.569 -8.567 -4.310 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.262 -8.734 -5.644 1.00 0.00 C ATOM 1302 OH TYR A 88 -9.230 -9.170 -6.520 1.00 0.00 O ATOM 0 H TYR A 88 -4.504 -9.184 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.898 -8.926 -3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.713 -7.094 -1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.773 -6.479 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.026 -7.825 -5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.838 -8.000 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.753 -8.600 -7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.566 -8.777 -3.952 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.810 -9.678 -7.245 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.905 -7.578 -2.953 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.655 -6.937 -2.564 1.00 0.00 C ATOM 1314 C ILE A 89 -0.638 -5.470 -2.979 1.00 0.00 C ATOM 1315 O ILE A 89 -0.490 -5.148 -4.158 1.00 0.00 O ATOM 1316 CB ILE A 89 0.560 -7.649 -3.187 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.259 -9.135 -3.391 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.788 -7.467 -2.308 1.00 0.00 C ATOM 1319 CD1 ILE A 89 -0.034 -9.874 -2.103 1.00 0.00 C ATOM 0 H ILE A 89 -1.936 -7.887 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.589 -7.006 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 89 0.765 -7.203 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.595 -9.236 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.109 -9.605 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.639 -7.976 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.011 -6.405 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.596 -7.890 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.238 -10.922 -2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.828 -9.804 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.903 -9.429 -1.618 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.787 -4.582 -2.000 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.788 -3.148 -2.263 1.00 0.00 C ATOM 1333 C PHE A 90 0.589 -2.546 -1.998 1.00 0.00 C ATOM 1334 O PHE A 90 1.290 -2.955 -1.072 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.837 -2.450 -1.395 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.247 -2.859 -1.714 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.815 -3.967 -1.107 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.004 -2.135 -2.621 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.112 -4.346 -1.398 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.301 -2.509 -2.915 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.856 -3.616 -2.304 1.00 0.00 C ATOM 0 H PHE A 90 -0.908 -4.831 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.036 -2.996 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.632 -2.667 -0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.742 -1.371 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.238 -4.542 -0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.575 -1.269 -3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.543 -5.212 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.881 -1.935 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.869 -3.910 -2.534 1.00 0.00 H new ATOM 1351 N ARG A 91 0.971 -1.573 -2.819 1.00 0.00 N ATOM 1352 CA ARG A 91 2.264 -0.916 -2.676 1.00 0.00 C ATOM 1353 C ARG A 91 2.125 0.597 -2.823 1.00 0.00 C ATOM 1354 O ARG A 91 1.677 1.092 -3.857 1.00 0.00 O ATOM 1355 CB ARG A 91 3.250 -1.451 -3.716 1.00 0.00 C ATOM 1356 CG ARG A 91 3.785 -2.836 -3.391 1.00 0.00 C ATOM 1357 CD ARG A 91 4.492 -3.454 -4.587 1.00 0.00 C ATOM 1358 NE ARG A 91 5.531 -4.398 -4.182 1.00 0.00 N ATOM 1359 CZ ARG A 91 6.763 -4.034 -3.845 1.00 0.00 C ATOM 1360 NH1 ARG A 91 7.109 -2.754 -3.864 1.00 0.00 N ATOM 1361 NH2 ARG A 91 7.653 -4.951 -3.487 1.00 0.00 N ATOM 0 H ARG A 91 0.403 -1.222 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 91 2.645 -1.134 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.759 -1.479 -4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.087 -0.758 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.477 -2.772 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.963 -3.481 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.762 -3.966 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.936 -2.664 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 91 5.297 -5.391 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.428 -2.046 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.056 -2.478 -3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.391 -5.937 -3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.599 -4.670 -3.228 1.00 0.00 H new ATOM 1375 N VAL A 92 2.511 1.325 -1.780 1.00 0.00 N ATOM 1376 CA VAL A 92 2.430 2.781 -1.793 1.00 0.00 C ATOM 1377 C VAL A 92 3.774 3.403 -2.154 1.00 0.00 C ATOM 1378 O VAL A 92 4.825 2.926 -1.727 1.00 0.00 O ATOM 1379 CB VAL A 92 1.972 3.330 -0.428 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.382 4.723 -0.583 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.968 2.385 0.216 1.00 0.00 C ATOM 0 H VAL A 92 2.883 0.931 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 92 1.694 3.050 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 92 2.841 3.401 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.064 5.094 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.135 5.393 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.523 4.682 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.655 2.788 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.099 2.280 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.430 1.409 0.364 1.00 0.00 H new ATOM 1391 N MET A 93 3.732 4.473 -2.941 1.00 0.00 N ATOM 1392 CA MET A 93 4.947 5.162 -3.358 1.00 0.00 C ATOM 1393 C MET A 93 4.725 6.670 -3.416 1.00 0.00 C ATOM 1394 O MET A 93 3.599 7.134 -3.595 1.00 0.00 O ATOM 1395 CB MET A 93 5.407 4.650 -4.725 1.00 0.00 C ATOM 1396 CG MET A 93 6.622 5.382 -5.271 1.00 0.00 C ATOM 1397 SD MET A 93 7.578 4.377 -6.423 1.00 0.00 S ATOM 1398 CE MET A 93 6.309 3.904 -7.594 1.00 0.00 C ATOM 0 H MET A 93 2.870 4.881 -3.302 1.00 0.00 H new ATOM 0 HA MET A 93 5.723 4.955 -2.621 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.638 3.588 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.586 4.746 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.297 6.293 -5.773 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.262 5.685 -4.442 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.058 2.852 -7.454 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.420 4.514 -7.433 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.675 4.058 -8.609 1.00 0.00 H new ATOM 1408 N ALA A 94 5.804 7.430 -3.264 1.00 0.00 N ATOM 1409 CA ALA A 94 5.726 8.885 -3.301 1.00 0.00 C ATOM 1410 C ALA A 94 6.211 9.427 -4.641 1.00 0.00 C ATOM 1411 O ALA A 94 7.093 8.847 -5.273 1.00 0.00 O ATOM 1412 CB ALA A 94 6.537 9.486 -2.162 1.00 0.00 C ATOM 0 H ALA A 94 6.743 7.062 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 94 4.681 9.171 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.470 10.573 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.143 9.133 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.580 9.183 -2.258 1.00 0.00 H new ATOM 1418 N GLN A 95 5.627 10.542 -5.069 1.00 0.00 N ATOM 1419 CA GLN A 95 5.999 11.160 -6.336 1.00 0.00 C ATOM 1420 C GLN A 95 5.990 12.681 -6.223 1.00 0.00 C ATOM 1421 O GLN A 95 4.979 13.280 -5.858 1.00 0.00 O ATOM 1422 CB GLN A 95 5.046 10.714 -7.446 1.00 0.00 C ATOM 1423 CG GLN A 95 5.513 9.471 -8.186 1.00 0.00 C ATOM 1424 CD GLN A 95 4.361 8.628 -8.696 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.289 9.147 -9.011 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.576 7.321 -8.782 1.00 0.00 N ATOM 0 H GLN A 95 4.895 11.035 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 95 7.010 10.838 -6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.064 10.522 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.927 11.529 -8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.141 9.767 -9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.133 8.869 -7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.480 6.934 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.838 6.704 -9.120 1.00 0.00 H new ATOM 1435 N ASN A 96 7.123 13.300 -6.538 1.00 0.00 N ATOM 1436 CA ASN A 96 7.245 14.752 -6.471 1.00 0.00 C ATOM 1437 C ASN A 96 7.583 15.334 -7.840 1.00 0.00 C ATOM 1438 O ASN A 96 7.632 14.614 -8.838 1.00 0.00 O ATOM 1439 CB ASN A 96 8.321 15.148 -5.457 1.00 0.00 C ATOM 1440 CG ASN A 96 9.724 14.935 -5.990 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.403 15.886 -6.379 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.166 13.683 -6.012 1.00 0.00 N ATOM 0 H ASN A 96 7.970 12.819 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 96 6.285 15.157 -6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.193 16.196 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.189 14.565 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.102 13.479 -6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.569 12.926 -5.680 1.00 0.00 H new ATOM 1449 N LYS A 97 7.816 16.641 -7.880 1.00 0.00 N ATOM 1450 CA LYS A 97 8.151 17.321 -9.126 1.00 0.00 C ATOM 1451 C LYS A 97 9.140 16.499 -9.946 1.00 0.00 C ATOM 1452 O LYS A 97 9.225 16.648 -11.165 1.00 0.00 O ATOM 1453 CB LYS A 97 8.739 18.703 -8.834 1.00 0.00 C ATOM 1454 CG LYS A 97 9.943 18.669 -7.907 1.00 0.00 C ATOM 1455 CD LYS A 97 10.057 19.947 -7.094 1.00 0.00 C ATOM 1456 CE LYS A 97 10.697 19.690 -5.738 1.00 0.00 C ATOM 1457 NZ LYS A 97 9.681 19.369 -4.697 1.00 0.00 N ATOM 0 H LYS A 97 7.779 17.251 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 97 7.235 17.437 -9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.028 19.172 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.967 19.331 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.862 17.815 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.851 18.528 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.649 20.678 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.067 20.380 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.405 18.865 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.265 20.568 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.157 19.201 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.020 20.166 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.156 18.516 -4.976 1.00 0.00 H new ATOM 1471 N HIS A 98 9.884 15.630 -9.269 1.00 0.00 N ATOM 1472 CA HIS A 98 10.865 14.782 -9.936 1.00 0.00 C ATOM 1473 C HIS A 98 10.184 13.611 -10.639 1.00 0.00 C ATOM 1474 O HIS A 98 10.112 13.568 -11.866 1.00 0.00 O ATOM 1475 CB HIS A 98 11.889 14.260 -8.927 1.00 0.00 C ATOM 1476 CG HIS A 98 12.553 15.343 -8.133 1.00 0.00 C ATOM 1477 ND1 HIS A 98 12.965 16.537 -8.686 1.00 0.00 N ATOM 1478 CD2 HIS A 98 12.873 15.408 -6.820 1.00 0.00 C ATOM 1479 CE1 HIS A 98 13.512 17.289 -7.748 1.00 0.00 C ATOM 1480 NE2 HIS A 98 13.469 16.627 -6.606 1.00 0.00 N ATOM 0 H HIS A 98 9.826 15.495 -8.260 1.00 0.00 H new ATOM 0 HA HIS A 98 11.378 15.384 -10.686 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.394 13.571 -8.243 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.652 13.690 -9.458 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.693 14.644 -6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.924 18.277 -7.891 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.821 16.966 -5.711 1.00 0.00 H new ATOM 1489 N GLY A 99 9.686 12.662 -9.851 1.00 0.00 N ATOM 1490 CA GLY A 99 9.019 11.504 -10.415 1.00 0.00 C ATOM 1491 C GLY A 99 8.765 10.422 -9.384 1.00 0.00 C ATOM 1492 O GLY A 99 8.442 10.714 -8.234 1.00 0.00 O ATOM 0 H GLY A 99 9.733 12.675 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.070 11.813 -10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.627 11.096 -11.223 1.00 0.00 H new ATOM 1496 N SER A 100 8.911 9.167 -9.798 1.00 0.00 N ATOM 1497 CA SER A 100 8.690 8.037 -8.904 1.00 0.00 C ATOM 1498 C SER A 100 9.970 7.678 -8.155 1.00 0.00 C ATOM 1499 O SER A 100 10.974 7.306 -8.762 1.00 0.00 O ATOM 1500 CB SER A 100 8.191 6.825 -9.693 1.00 0.00 C ATOM 1501 OG SER A 100 9.169 6.379 -10.617 1.00 0.00 O ATOM 0 H SER A 100 9.181 8.908 -10.747 1.00 0.00 H new ATOM 0 HA SER A 100 7.932 8.325 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.941 6.017 -9.005 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.276 7.085 -10.225 1.00 0.00 H new ATOM 0 HG SER A 100 10.063 6.549 -10.254 1.00 0.00 H new ATOM 1507 N GLY A 101 9.926 7.794 -6.831 1.00 0.00 N ATOM 1508 CA GLY A 101 11.088 7.479 -6.020 1.00 0.00 C ATOM 1509 C GLY A 101 11.232 5.991 -5.768 1.00 0.00 C ATOM 1510 O GLY A 101 11.781 5.265 -6.596 1.00 0.00 O ATOM 0 H GLY A 101 9.107 8.100 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.985 7.849 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.014 8.001 -5.066 1.00 0.00 H new ATOM 1514 N GLU A 102 10.740 5.537 -4.619 1.00 0.00 N ATOM 1515 CA GLU A 102 10.820 4.126 -4.260 1.00 0.00 C ATOM 1516 C GLU A 102 9.443 3.578 -3.896 1.00 0.00 C ATOM 1517 O GLU A 102 8.626 4.274 -3.293 1.00 0.00 O ATOM 1518 CB GLU A 102 11.785 3.929 -3.089 1.00 0.00 C ATOM 1519 CG GLU A 102 11.941 2.478 -2.666 1.00 0.00 C ATOM 1520 CD GLU A 102 13.077 2.276 -1.682 1.00 0.00 C ATOM 1521 OE1 GLU A 102 12.928 2.683 -0.511 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.116 1.710 -2.083 1.00 0.00 O ATOM 0 H GLU A 102 10.283 6.125 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 102 11.193 3.578 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.762 4.326 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.433 4.511 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.010 2.132 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.116 1.863 -3.549 1.00 0.00 H new ATOM 1529 N SER A 103 9.193 2.326 -4.267 1.00 0.00 N ATOM 1530 CA SER A 103 7.914 1.686 -3.984 1.00 0.00 C ATOM 1531 C SER A 103 7.927 1.034 -2.604 1.00 0.00 C ATOM 1532 O SER A 103 8.702 0.114 -2.347 1.00 0.00 O ATOM 1533 CB SER A 103 7.597 0.638 -5.052 1.00 0.00 C ATOM 1534 OG SER A 103 8.695 -0.235 -5.252 1.00 0.00 O ATOM 0 H SER A 103 9.859 1.735 -4.764 1.00 0.00 H new ATOM 0 HA SER A 103 7.140 2.454 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.721 0.063 -4.753 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.347 1.134 -5.990 1.00 0.00 H new ATOM 0 HG SER A 103 9.077 -0.484 -4.385 1.00 0.00 H new ATOM 1540 N SER A 104 7.061 1.520 -1.719 1.00 0.00 N ATOM 1541 CA SER A 104 6.974 0.988 -0.364 1.00 0.00 C ATOM 1542 C SER A 104 6.891 -0.535 -0.382 1.00 0.00 C ATOM 1543 O SER A 104 6.783 -1.149 -1.443 1.00 0.00 O ATOM 1544 CB SER A 104 5.756 1.569 0.357 1.00 0.00 C ATOM 1545 OG SER A 104 4.551 1.050 -0.179 1.00 0.00 O ATOM 0 H SER A 104 6.411 2.281 -1.916 1.00 0.00 H new ATOM 0 HA SER A 104 7.877 1.278 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.814 1.337 1.421 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.760 2.655 0.267 1.00 0.00 H new ATOM 0 HG SER A 104 4.575 1.110 -1.157 1.00 0.00 H new ATOM 1551 N ALA A 105 6.941 -1.138 0.801 1.00 0.00 N ATOM 1552 CA ALA A 105 6.869 -2.589 0.922 1.00 0.00 C ATOM 1553 C ALA A 105 5.489 -3.105 0.527 1.00 0.00 C ATOM 1554 O ALA A 105 4.472 -2.439 0.720 1.00 0.00 O ATOM 1555 CB ALA A 105 7.208 -3.017 2.342 1.00 0.00 C ATOM 0 H ALA A 105 7.031 -0.644 1.689 1.00 0.00 H new ATOM 0 HA ALA A 105 7.599 -3.023 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.150 -4.103 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.217 -2.689 2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.499 -2.566 3.037 1.00 0.00 H new ATOM 1561 N PRO A 106 5.451 -4.320 -0.040 1.00 0.00 N ATOM 1562 CA PRO A 106 4.202 -4.952 -0.474 1.00 0.00 C ATOM 1563 C PRO A 106 3.322 -5.365 0.702 1.00 0.00 C ATOM 1564 O PRO A 106 3.649 -6.297 1.438 1.00 0.00 O ATOM 1565 CB PRO A 106 4.677 -6.186 -1.245 1.00 0.00 C ATOM 1566 CG PRO A 106 6.019 -6.495 -0.675 1.00 0.00 C ATOM 1567 CD PRO A 106 6.624 -5.171 -0.300 1.00 0.00 C ATOM 0 HA PRO A 106 3.587 -4.274 -1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.990 -7.022 -1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.738 -5.985 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.933 -7.145 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.641 -7.017 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.262 -5.256 0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.241 -4.769 -1.104 1.00 0.00 H new ATOM 1575 N LEU A 107 2.205 -4.667 0.872 1.00 0.00 N ATOM 1576 CA LEU A 107 1.277 -4.962 1.958 1.00 0.00 C ATOM 1577 C LEU A 107 0.268 -6.026 1.539 1.00 0.00 C ATOM 1578 O LEU A 107 -0.456 -5.857 0.557 1.00 0.00 O ATOM 1579 CB LEU A 107 0.544 -3.690 2.389 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.521 -3.863 3.473 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.119 -4.280 4.788 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.317 -2.578 3.648 1.00 0.00 C ATOM 0 H LEU A 107 1.920 -3.893 0.272 1.00 0.00 H new ATOM 0 HA LEU A 107 1.853 -5.346 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.283 -2.972 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.071 -3.252 1.510 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.206 -4.651 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.654 -4.398 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.643 -5.226 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.827 -3.515 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.070 -2.719 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.645 -1.770 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.807 -2.323 2.708 1.00 0.00 H new ATOM 1594 N ARG A 108 0.224 -7.122 2.290 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.697 -8.213 1.997 1.00 0.00 C ATOM 1596 C ARG A 108 -2.033 -8.001 2.703 1.00 0.00 C ATOM 1597 O ARG A 108 -2.137 -8.159 3.919 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.089 -9.550 2.423 1.00 0.00 C ATOM 1599 CG ARG A 108 -0.936 -10.753 2.041 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.203 -12.058 2.309 1.00 0.00 C ATOM 1601 NE ARG A 108 1.045 -12.149 1.555 1.00 0.00 N ATOM 1602 CZ ARG A 108 2.200 -11.653 1.983 1.00 0.00 C ATOM 1603 NH1 ARG A 108 2.266 -11.034 3.154 1.00 0.00 N ATOM 1604 NH2 ARG A 108 3.293 -11.775 1.240 1.00 0.00 N ATOM 0 H ARG A 108 0.816 -7.278 3.106 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.873 -8.228 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.897 -9.652 1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.055 -9.546 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.869 -10.736 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.200 -10.693 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.010 -12.142 3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -0.848 -12.897 2.046 1.00 0.00 H new ATOM 0 HE ARG A 108 1.028 -12.619 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 108 1.428 -10.938 3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 108 3.154 -10.654 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 108 3.247 -12.250 0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.179 -11.393 1.570 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.055 -7.642 1.931 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.384 -7.410 2.482 1.00 0.00 C ATOM 1620 C VAL A 109 -5.402 -8.378 1.889 1.00 0.00 C ATOM 1621 O VAL A 109 -5.436 -8.593 0.678 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.854 -5.966 2.223 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.173 -5.698 2.932 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.790 -4.972 2.664 1.00 0.00 C ATOM 0 H VAL A 109 -2.987 -7.506 0.922 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.314 -7.575 3.557 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.013 -5.841 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.489 -4.673 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.932 -6.388 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.045 -5.841 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.139 -3.957 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.596 -5.095 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.871 -5.151 2.105 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.231 -8.958 2.752 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.250 -9.904 2.313 1.00 0.00 C ATOM 1636 C GLU A 110 -8.650 -9.351 2.563 1.00 0.00 C ATOM 1637 O GLU A 110 -8.992 -8.981 3.686 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.081 -11.242 3.036 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.102 -12.289 2.625 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.917 -13.604 3.358 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -7.692 -13.573 4.585 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -7.997 -14.664 2.702 1.00 0.00 O ATOM 0 H GLU A 110 -6.217 -8.789 3.758 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.126 -10.060 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.080 -11.627 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.155 -11.077 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.105 -11.908 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -8.027 -12.462 1.551 1.00 0.00 H new ATOM 1649 N THR A 111 -9.456 -9.297 1.507 1.00 0.00 N ATOM 1650 CA THR A 111 -10.818 -8.788 1.611 1.00 0.00 C ATOM 1651 C THR A 111 -11.695 -9.729 2.429 1.00 0.00 C ATOM 1652 O THR A 111 -11.221 -10.737 2.951 1.00 0.00 O ATOM 1653 CB THR A 111 -11.451 -8.593 0.221 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.076 -9.670 -0.645 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.017 -7.270 -0.391 1.00 0.00 C ATOM 0 H THR A 111 -9.189 -9.599 0.570 1.00 0.00 H new ATOM 0 HA THR A 111 -10.758 -7.823 2.114 1.00 0.00 H new ATOM 0 HB THR A 111 -12.535 -8.583 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.228 -9.408 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.477 -7.155 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.330 -6.450 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.932 -7.256 -0.495 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.977 -9.391 2.536 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.920 -10.207 3.291 1.00 0.00 C ATOM 1665 C GLN A 112 -14.918 -10.888 2.361 1.00 0.00 C ATOM 1666 O GLN A 112 -15.347 -10.326 1.353 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.664 -9.347 4.315 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.867 -8.144 4.792 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.699 -8.530 5.678 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.350 -9.706 5.786 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.087 -7.540 6.317 1.00 0.00 N ATOM 0 H GLN A 112 -13.385 -8.559 2.110 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.356 -10.978 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.600 -9.001 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -14.924 -9.964 5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.496 -7.593 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.526 -7.471 5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.410 -6.580 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.294 -7.740 6.927 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.298 -12.128 2.704 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.250 -12.912 1.912 1.00 0.00 C ATOM 1682 C PRO A 113 -17.666 -12.352 1.988 1.00 0.00 C ATOM 1683 O PRO A 113 -18.316 -12.423 3.030 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.188 -14.299 2.556 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.745 -14.048 3.956 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.827 -12.859 3.892 1.00 0.00 C ATOM 0 HA PRO A 113 -16.000 -12.908 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.160 -14.791 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.488 -14.949 2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.597 -13.849 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.230 -14.917 4.364 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.896 -12.249 4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.785 -13.161 3.791 1.00 0.00 H new