USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 60 GLN : amide:sc= -4.3! C(o=-12!,f=-15!) USER MOD Set 1.2: A 62 GLN : amide:sc= -7.65! C(o=-12!,f=-19!) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.0127 K(o=0.016,f=-2.1!) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0.00358 USER MOD Set 3.1: A 20 SER OG : rot -14:sc= 0.804! USER MOD Set 3.2: A 22 THR OG1 : rot -32:sc= 0.32 USER MOD Set 3.3: A 64 GLN :FLIP amide:sc= 0.378 F(o=-0.77,f=1.5) USER MOD Single : A 16 SER OG : rot -55:sc= 0.019 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= -0.503 (180deg=-2.45!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -8.96! C(o=-9!,f=-9.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 102:sc= 1.33 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 46 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.00065) USER MOD Single : A 51 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.626 F(o=-0.29,f=0.63) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0136) USER MOD Single : A 73 ASN : amide:sc= -0.0325 K(o=-0.033,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 170:sc= 0.862 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.302 -12.950 11.542 1.00 0.00 N ATOM 160 CA LEU A 14 2.262 -12.692 10.106 1.00 0.00 C ATOM 161 C LEU A 14 1.237 -11.611 9.777 1.00 0.00 C ATOM 162 O LEU A 14 1.520 -10.685 9.018 1.00 0.00 O ATOM 163 CB LEU A 14 1.929 -13.976 9.346 1.00 0.00 C ATOM 164 CG LEU A 14 3.016 -15.052 9.334 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.419 -16.411 9.006 1.00 0.00 C ATOM 166 CD2 LEU A 14 4.110 -14.693 8.339 1.00 0.00 C ATOM 0 HA LEU A 14 3.246 -12.340 9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.025 -14.406 9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.695 -13.713 8.314 1.00 0.00 H new ATOM 0 HG LEU A 14 3.460 -15.104 10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.208 -17.163 9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.673 -16.671 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.948 -16.374 8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.875 -15.469 8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.681 -14.612 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.559 -13.740 8.620 1.00 0.00 H new ATOM 178 N ARG A 15 0.046 -11.737 10.354 1.00 0.00 N ATOM 179 CA ARG A 15 -1.020 -10.770 10.123 1.00 0.00 C ATOM 180 C ARG A 15 -0.634 -9.395 10.659 1.00 0.00 C ATOM 181 O ARG A 15 -1.066 -8.370 10.133 1.00 0.00 O ATOM 182 CB ARG A 15 -2.316 -11.242 10.784 1.00 0.00 C ATOM 183 CG ARG A 15 -2.237 -11.310 12.301 1.00 0.00 C ATOM 184 CD ARG A 15 -3.586 -11.648 12.915 1.00 0.00 C ATOM 185 NE ARG A 15 -3.541 -11.637 14.375 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.624 -11.615 15.143 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.831 -11.600 14.594 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.502 -11.606 16.464 1.00 0.00 N ATOM 0 H ARG A 15 -0.204 -12.499 10.984 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.176 -10.689 9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.125 -10.568 10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.573 -12.228 10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.504 -12.061 12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.888 -10.354 12.691 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.331 -10.931 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.905 -12.631 12.570 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.628 -11.647 14.829 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.930 -11.605 13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.661 -11.583 15.187 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.576 -11.616 16.891 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.335 -11.589 17.053 1.00 0.00 H new ATOM 202 N SER A 16 0.182 -9.382 11.708 1.00 0.00 N ATOM 203 CA SER A 16 0.623 -8.134 12.318 1.00 0.00 C ATOM 204 C SER A 16 1.848 -7.579 11.597 1.00 0.00 C ATOM 205 O SER A 16 2.728 -6.979 12.215 1.00 0.00 O ATOM 206 CB SER A 16 0.943 -8.350 13.799 1.00 0.00 C ATOM 207 OG SER A 16 0.874 -7.131 14.518 1.00 0.00 O ATOM 0 H SER A 16 0.551 -10.222 12.153 1.00 0.00 H new ATOM 0 HA SER A 16 -0.187 -7.410 12.230 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.242 -9.067 14.225 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.940 -8.780 13.900 1.00 0.00 H new ATOM 0 HG SER A 16 1.466 -6.471 14.101 1.00 0.00 H new ATOM 213 N PHE A 17 1.898 -7.785 10.285 1.00 0.00 N ATOM 214 CA PHE A 17 3.014 -7.309 9.478 1.00 0.00 C ATOM 215 C PHE A 17 2.745 -5.900 8.955 1.00 0.00 C ATOM 216 O PHE A 17 1.729 -5.650 8.304 1.00 0.00 O ATOM 217 CB PHE A 17 3.268 -8.260 8.306 1.00 0.00 C ATOM 218 CG PHE A 17 3.940 -7.602 7.135 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.212 -6.822 6.251 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.298 -7.764 6.919 1.00 0.00 C ATOM 221 CE1 PHE A 17 3.828 -6.216 5.171 1.00 0.00 C ATOM 222 CE2 PHE A 17 5.920 -7.161 5.841 1.00 0.00 C ATOM 223 CZ PHE A 17 5.184 -6.386 4.967 1.00 0.00 C ATOM 0 H PHE A 17 1.178 -8.279 9.758 1.00 0.00 H new ATOM 0 HA PHE A 17 3.901 -7.280 10.111 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.885 -9.090 8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.318 -8.683 7.979 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.152 -6.686 6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.878 -8.368 7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.250 -5.611 4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.980 -7.296 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.668 -5.913 4.125 1.00 0.00 H new ATOM 233 N LYS A 18 3.661 -4.982 9.245 1.00 0.00 N ATOM 234 CA LYS A 18 3.525 -3.599 8.805 1.00 0.00 C ATOM 235 C LYS A 18 4.564 -3.262 7.740 1.00 0.00 C ATOM 236 O LYS A 18 5.761 -3.471 7.939 1.00 0.00 O ATOM 237 CB LYS A 18 3.670 -2.647 9.995 1.00 0.00 C ATOM 238 CG LYS A 18 3.839 -1.192 9.592 1.00 0.00 C ATOM 239 CD LYS A 18 3.705 -0.264 10.787 1.00 0.00 C ATOM 240 CE LYS A 18 4.487 1.025 10.582 1.00 0.00 C ATOM 241 NZ LYS A 18 4.485 1.875 11.806 1.00 0.00 N ATOM 0 H LYS A 18 4.506 -5.171 9.783 1.00 0.00 H new ATOM 0 HA LYS A 18 2.533 -3.478 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.791 -2.739 10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.530 -2.952 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.816 -1.053 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.092 -0.932 8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.653 -0.030 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.063 -0.770 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.514 0.787 10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.056 1.583 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.028 2.744 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.506 2.124 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.920 1.352 12.593 1.00 0.00 H new ATOM 255 N LEU A 19 4.099 -2.739 6.611 1.00 0.00 N ATOM 256 CA LEU A 19 4.988 -2.372 5.516 1.00 0.00 C ATOM 257 C LEU A 19 4.993 -0.861 5.302 1.00 0.00 C ATOM 258 O LEU A 19 4.036 -0.171 5.651 1.00 0.00 O ATOM 259 CB LEU A 19 4.562 -3.079 4.228 1.00 0.00 C ATOM 260 CG LEU A 19 5.219 -2.581 2.939 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.639 -3.112 2.825 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.395 -2.990 1.728 1.00 0.00 C ATOM 0 H LEU A 19 3.111 -2.560 6.430 1.00 0.00 H new ATOM 0 HA LEU A 19 5.998 -2.687 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.776 -4.143 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.482 -2.980 4.123 1.00 0.00 H new ATOM 0 HG LEU A 19 5.262 -1.492 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.091 -2.748 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.226 -2.768 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.620 -4.202 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.877 -2.627 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.320 -4.077 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.397 -2.560 1.805 1.00 0.00 H new ATOM 274 N SER A 20 6.078 -0.354 4.724 1.00 0.00 N ATOM 275 CA SER A 20 6.209 1.075 4.465 1.00 0.00 C ATOM 276 C SER A 20 6.653 1.328 3.027 1.00 0.00 C ATOM 277 O SER A 20 7.751 0.941 2.627 1.00 0.00 O ATOM 278 CB SER A 20 7.211 1.701 5.437 1.00 0.00 C ATOM 279 OG SER A 20 8.527 1.658 4.913 1.00 0.00 O ATOM 0 H SER A 20 6.879 -0.912 4.426 1.00 0.00 H new ATOM 0 HA SER A 20 5.233 1.537 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.930 2.735 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.178 1.171 6.389 1.00 0.00 H new ATOM 0 HG SER A 20 8.554 1.048 4.147 1.00 0.00 H new ATOM 285 N VAL A 21 5.790 1.980 2.254 1.00 0.00 N ATOM 286 CA VAL A 21 6.092 2.287 0.862 1.00 0.00 C ATOM 287 C VAL A 21 6.629 3.706 0.715 1.00 0.00 C ATOM 288 O VAL A 21 5.994 4.670 1.147 1.00 0.00 O ATOM 289 CB VAL A 21 4.847 2.126 -0.031 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.253 1.907 -1.481 1.00 0.00 C ATOM 291 CG2 VAL A 21 3.980 0.979 0.467 1.00 0.00 C ATOM 0 H VAL A 21 4.876 2.306 2.569 1.00 0.00 H new ATOM 0 HA VAL A 21 6.855 1.578 0.541 1.00 0.00 H new ATOM 0 HB VAL A 21 4.262 3.044 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.360 1.795 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.830 2.763 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.860 1.005 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.105 0.879 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.554 0.053 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.659 1.182 1.489 1.00 0.00 H new ATOM 301 N THR A 22 7.801 3.830 0.101 1.00 0.00 N ATOM 302 CA THR A 22 8.423 5.131 -0.103 1.00 0.00 C ATOM 303 C THR A 22 7.966 5.761 -1.415 1.00 0.00 C ATOM 304 O THR A 22 8.431 5.385 -2.490 1.00 0.00 O ATOM 305 CB THR A 22 9.960 5.024 -0.107 1.00 0.00 C ATOM 306 OG1 THR A 22 10.398 4.227 0.998 1.00 0.00 O ATOM 307 CG2 THR A 22 10.599 6.403 -0.029 1.00 0.00 C ATOM 0 H THR A 22 8.339 3.044 -0.264 1.00 0.00 H new ATOM 0 HA THR A 22 8.111 5.763 0.728 1.00 0.00 H new ATOM 0 HB THR A 22 10.267 4.551 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.786 4.351 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.684 6.302 -0.033 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.287 6.998 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.284 6.898 0.890 1.00 0.00 H new ATOM 315 N VAL A 23 7.053 6.721 -1.317 1.00 0.00 N ATOM 316 CA VAL A 23 6.534 7.405 -2.495 1.00 0.00 C ATOM 317 C VAL A 23 6.118 8.834 -2.164 1.00 0.00 C ATOM 318 O VAL A 23 5.375 9.070 -1.211 1.00 0.00 O ATOM 319 CB VAL A 23 5.326 6.656 -3.092 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.715 7.454 -4.234 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.739 5.269 -3.561 1.00 0.00 C ATOM 0 H VAL A 23 6.657 7.043 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 23 7.340 7.426 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 23 4.570 6.542 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.864 6.910 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.382 8.423 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.461 7.601 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.874 4.754 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.513 5.358 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.126 4.700 -2.716 1.00 0.00 H new ATOM 331 N ASP A 24 6.602 9.784 -2.957 1.00 0.00 N ATOM 332 CA ASP A 24 6.280 11.190 -2.750 1.00 0.00 C ATOM 333 C ASP A 24 4.805 11.364 -2.397 1.00 0.00 C ATOM 334 O ASP A 24 3.930 10.685 -2.934 1.00 0.00 O ATOM 335 CB ASP A 24 6.617 12.003 -4.000 1.00 0.00 C ATOM 336 CG ASP A 24 8.100 11.989 -4.317 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.760 10.969 -4.025 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.600 12.997 -4.857 1.00 0.00 O ATOM 0 H ASP A 24 7.219 9.605 -3.749 1.00 0.00 H new ATOM 0 HA ASP A 24 6.880 11.555 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.063 11.604 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.288 13.033 -3.860 1.00 0.00 H new ATOM 343 N PRO A 25 4.523 12.294 -1.474 1.00 0.00 N ATOM 344 CA PRO A 25 3.155 12.579 -1.029 1.00 0.00 C ATOM 345 C PRO A 25 2.324 13.260 -2.111 1.00 0.00 C ATOM 346 O PRO A 25 1.162 13.605 -1.890 1.00 0.00 O ATOM 347 CB PRO A 25 3.358 13.519 0.162 1.00 0.00 C ATOM 348 CG PRO A 25 4.674 14.170 -0.089 1.00 0.00 C ATOM 349 CD PRO A 25 5.517 13.141 -0.793 1.00 0.00 C ATOM 0 HA PRO A 25 2.608 11.669 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.557 14.256 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.361 12.970 1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.557 15.064 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.139 14.483 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.205 13.602 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.120 12.567 -0.090 1.00 0.00 H new ATOM 357 N LYS A 26 2.924 13.449 -3.280 1.00 0.00 N ATOM 358 CA LYS A 26 2.239 14.088 -4.398 1.00 0.00 C ATOM 359 C LYS A 26 1.291 13.111 -5.084 1.00 0.00 C ATOM 360 O LYS A 26 0.225 13.499 -5.565 1.00 0.00 O ATOM 361 CB LYS A 26 3.257 14.622 -5.409 1.00 0.00 C ATOM 362 CG LYS A 26 3.966 13.530 -6.192 1.00 0.00 C ATOM 363 CD LYS A 26 4.876 14.112 -7.260 1.00 0.00 C ATOM 364 CE LYS A 26 6.180 14.622 -6.666 1.00 0.00 C ATOM 365 NZ LYS A 26 6.033 15.994 -6.102 1.00 0.00 N ATOM 0 H LYS A 26 3.884 13.169 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 26 1.655 14.920 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.749 15.287 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.000 15.221 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.552 12.914 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.228 12.877 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.090 13.351 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.364 14.928 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.513 13.941 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.952 14.626 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.831 16.584 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.142 16.413 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.023 15.943 -5.063 1.00 0.00 H new ATOM 379 N TYR A 27 1.683 11.842 -5.125 1.00 0.00 N ATOM 380 CA TYR A 27 0.867 10.810 -5.753 1.00 0.00 C ATOM 381 C TYR A 27 -0.059 10.152 -4.734 1.00 0.00 C ATOM 382 O TYR A 27 -1.044 9.508 -5.097 1.00 0.00 O ATOM 383 CB TYR A 27 1.759 9.752 -6.406 1.00 0.00 C ATOM 384 CG TYR A 27 2.725 10.319 -7.421 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.281 11.144 -8.447 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.082 10.029 -7.355 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.160 11.663 -9.377 1.00 0.00 C ATOM 388 CE2 TYR A 27 4.969 10.544 -8.280 1.00 0.00 C ATOM 389 CZ TYR A 27 4.503 11.360 -9.290 1.00 0.00 C ATOM 390 OH TYR A 27 5.382 11.876 -10.214 1.00 0.00 O ATOM 0 H TYR A 27 2.561 11.504 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 27 0.255 11.284 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.323 9.234 -5.630 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.129 9.007 -6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.230 11.384 -8.518 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.450 9.389 -6.566 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.798 12.303 -10.168 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.021 10.309 -8.213 1.00 0.00 H new ATOM 0 HH TYR A 27 6.289 11.567 -10.010 1.00 0.00 H new ATOM 400 N HIS A 28 0.265 10.320 -3.456 1.00 0.00 N ATOM 401 CA HIS A 28 -0.537 9.743 -2.383 1.00 0.00 C ATOM 402 C HIS A 28 -2.025 9.969 -2.634 1.00 0.00 C ATOM 403 O HIS A 28 -2.810 9.027 -2.749 1.00 0.00 O ATOM 404 CB HIS A 28 -0.138 10.351 -1.037 1.00 0.00 C ATOM 405 CG HIS A 28 0.893 9.551 -0.301 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.040 9.594 1.069 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.829 8.685 -0.753 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.025 8.789 1.429 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.519 8.225 0.341 1.00 0.00 N ATOM 0 H HIS A 28 1.076 10.850 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.349 8.670 -2.360 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.245 11.358 -1.202 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.026 10.446 -0.413 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.477 10.158 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.001 8.407 -1.782 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.367 8.621 2.439 1.00 0.00 H new ATOM 417 N PRO A 29 -2.424 11.247 -2.722 1.00 0.00 N ATOM 418 CA PRO A 29 -3.820 11.626 -2.962 1.00 0.00 C ATOM 419 C PRO A 29 -4.279 11.282 -4.374 1.00 0.00 C ATOM 420 O PRO A 29 -5.455 11.431 -4.710 1.00 0.00 O ATOM 421 CB PRO A 29 -3.817 13.142 -2.754 1.00 0.00 C ATOM 422 CG PRO A 29 -2.416 13.560 -3.041 1.00 0.00 C ATOM 423 CD PRO A 29 -1.543 12.420 -2.595 1.00 0.00 C ATOM 0 HA PRO A 29 -4.506 11.094 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.522 13.635 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.108 13.403 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.279 13.763 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.165 14.476 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.655 12.325 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.198 12.555 -1.570 1.00 0.00 H new ATOM 431 N LYS A 30 -3.345 10.822 -5.200 1.00 0.00 N ATOM 432 CA LYS A 30 -3.654 10.455 -6.577 1.00 0.00 C ATOM 433 C LYS A 30 -3.960 8.966 -6.688 1.00 0.00 C ATOM 434 O LYS A 30 -4.695 8.538 -7.579 1.00 0.00 O ATOM 435 CB LYS A 30 -2.486 10.817 -7.497 1.00 0.00 C ATOM 436 CG LYS A 30 -2.181 12.305 -7.537 1.00 0.00 C ATOM 437 CD LYS A 30 -3.280 13.081 -8.241 1.00 0.00 C ATOM 438 CE LYS A 30 -3.184 14.571 -7.950 1.00 0.00 C ATOM 439 NZ LYS A 30 -1.992 15.187 -8.597 1.00 0.00 N ATOM 0 H LYS A 30 -2.367 10.694 -4.939 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.538 11.013 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.596 10.281 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.710 10.473 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.063 12.681 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.233 12.469 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.213 12.914 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.253 12.708 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.087 15.069 -8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.134 14.728 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.962 16.203 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.129 14.729 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.052 15.060 -9.627 1.00 0.00 H new ATOM 453 N ILE A 31 -3.393 8.180 -5.778 1.00 0.00 N ATOM 454 CA ILE A 31 -3.608 6.738 -5.774 1.00 0.00 C ATOM 455 C ILE A 31 -4.934 6.382 -5.110 1.00 0.00 C ATOM 456 O ILE A 31 -5.687 5.548 -5.614 1.00 0.00 O ATOM 457 CB ILE A 31 -2.467 6.002 -5.046 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.115 6.382 -5.652 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.680 4.496 -5.115 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.033 6.298 -4.671 1.00 0.00 C ATOM 0 H ILE A 31 -2.782 8.518 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.629 6.418 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.471 6.303 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.908 5.726 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.174 7.398 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.866 3.989 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.627 4.240 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.699 4.179 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.960 6.581 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.151 6.975 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.119 5.277 -4.298 1.00 0.00 H new ATOM 472 N ILE A 32 -5.213 7.021 -3.979 1.00 0.00 N ATOM 473 CA ILE A 32 -6.449 6.773 -3.248 1.00 0.00 C ATOM 474 C ILE A 32 -7.634 6.644 -4.200 1.00 0.00 C ATOM 475 O ILE A 32 -8.384 5.670 -4.146 1.00 0.00 O ATOM 476 CB ILE A 32 -6.739 7.897 -2.235 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.675 7.910 -1.137 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.126 7.723 -1.634 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.660 9.186 -0.325 1.00 0.00 C ATOM 0 H ILE A 32 -4.600 7.714 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.315 5.835 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.708 8.854 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.844 7.066 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.694 7.766 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.316 8.525 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.873 7.758 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.183 6.762 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.881 9.125 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.461 10.033 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.628 9.321 0.158 1.00 0.00 H new ATOM 491 N GLY A 33 -7.795 7.634 -5.073 1.00 0.00 N ATOM 492 CA GLY A 33 -8.890 7.611 -6.026 1.00 0.00 C ATOM 493 C GLY A 33 -9.822 8.795 -5.867 1.00 0.00 C ATOM 494 O GLY A 33 -10.121 9.213 -4.748 1.00 0.00 O ATOM 0 H GLY A 33 -7.187 8.451 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.486 7.604 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.456 6.688 -5.902 1.00 0.00 H new ATOM 498 N ARG A 34 -10.281 9.340 -6.989 1.00 0.00 N ATOM 499 CA ARG A 34 -11.183 10.485 -6.969 1.00 0.00 C ATOM 500 C ARG A 34 -12.350 10.243 -6.015 1.00 0.00 C ATOM 501 O ARG A 34 -12.797 11.154 -5.319 1.00 0.00 O ATOM 502 CB ARG A 34 -11.711 10.771 -8.376 1.00 0.00 C ATOM 503 CG ARG A 34 -12.553 9.644 -8.951 1.00 0.00 C ATOM 504 CD ARG A 34 -12.941 9.919 -10.396 1.00 0.00 C ATOM 505 NE ARG A 34 -11.882 9.543 -11.328 1.00 0.00 N ATOM 506 CZ ARG A 34 -11.825 9.967 -12.586 1.00 0.00 C ATOM 507 NH1 ARG A 34 -12.759 10.779 -13.057 1.00 0.00 N ATOM 508 NH2 ARG A 34 -10.829 9.580 -13.373 1.00 0.00 N ATOM 0 H ARG A 34 -10.043 9.007 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.622 11.350 -6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.307 11.683 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.867 10.958 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.997 8.708 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.453 9.517 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.850 9.368 -10.638 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.169 10.978 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.146 8.921 -10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.524 11.080 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.713 11.103 -14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.107 8.957 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.786 9.906 -14.339 1.00 0.00 H new ATOM 522 N LYS A 35 -12.838 9.008 -5.990 1.00 0.00 N ATOM 523 CA LYS A 35 -13.953 8.643 -5.123 1.00 0.00 C ATOM 524 C LYS A 35 -13.477 7.775 -3.962 1.00 0.00 C ATOM 525 O LYS A 35 -14.025 7.837 -2.863 1.00 0.00 O ATOM 526 CB LYS A 35 -15.026 7.900 -5.922 1.00 0.00 C ATOM 527 CG LYS A 35 -16.337 7.733 -5.173 1.00 0.00 C ATOM 528 CD LYS A 35 -17.395 7.074 -6.041 1.00 0.00 C ATOM 529 CE LYS A 35 -18.698 6.880 -5.279 1.00 0.00 C ATOM 530 NZ LYS A 35 -18.657 5.671 -4.411 1.00 0.00 N ATOM 0 H LYS A 35 -12.479 8.242 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.381 9.560 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.214 8.439 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.646 6.916 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.172 7.132 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.694 8.708 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.576 7.687 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.030 6.109 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.896 7.760 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.523 6.792 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.562 5.573 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.494 4.828 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.886 5.766 -3.719 1.00 0.00 H new ATOM 544 N GLY A 36 -12.451 6.967 -4.214 1.00 0.00 N ATOM 545 CA GLY A 36 -11.919 6.101 -3.179 1.00 0.00 C ATOM 546 C GLY A 36 -12.133 4.631 -3.487 1.00 0.00 C ATOM 547 O GLY A 36 -11.713 3.762 -2.723 1.00 0.00 O ATOM 0 H GLY A 36 -11.980 6.897 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.853 6.293 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.393 6.343 -2.228 1.00 0.00 H new ATOM 551 N ALA A 37 -12.790 4.353 -4.607 1.00 0.00 N ATOM 552 CA ALA A 37 -13.060 2.979 -5.014 1.00 0.00 C ATOM 553 C ALA A 37 -11.807 2.319 -5.582 1.00 0.00 C ATOM 554 O ALA A 37 -11.759 1.101 -5.753 1.00 0.00 O ATOM 555 CB ALA A 37 -14.187 2.942 -6.035 1.00 0.00 C ATOM 0 H ALA A 37 -13.146 5.061 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.367 2.418 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.377 1.910 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.090 3.366 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.902 3.523 -6.912 1.00 0.00 H new ATOM 561 N VAL A 38 -10.797 3.131 -5.873 1.00 0.00 N ATOM 562 CA VAL A 38 -9.544 2.626 -6.422 1.00 0.00 C ATOM 563 C VAL A 38 -8.750 1.863 -5.367 1.00 0.00 C ATOM 564 O VAL A 38 -8.621 0.641 -5.437 1.00 0.00 O ATOM 565 CB VAL A 38 -8.673 3.768 -6.977 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.409 3.214 -7.617 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.462 4.604 -7.973 1.00 0.00 C ATOM 0 H VAL A 38 -10.821 4.142 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.805 1.950 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.379 4.412 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.806 4.036 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.835 2.663 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.678 2.546 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.831 5.406 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.788 3.973 -8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.334 5.032 -7.478 1.00 0.00 H new ATOM 577 N ILE A 39 -8.220 2.592 -4.390 1.00 0.00 N ATOM 578 CA ILE A 39 -7.442 1.984 -3.320 1.00 0.00 C ATOM 579 C ILE A 39 -8.222 0.865 -2.638 1.00 0.00 C ATOM 580 O ILE A 39 -7.654 -0.155 -2.245 1.00 0.00 O ATOM 581 CB ILE A 39 -7.029 3.024 -2.262 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.064 2.402 -1.251 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.258 3.579 -1.557 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.628 2.371 -1.727 1.00 0.00 C ATOM 0 H ILE A 39 -8.316 3.605 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.545 1.570 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.519 3.846 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.117 2.963 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.387 1.385 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.950 4.313 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.912 4.056 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.794 2.767 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.000 1.917 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.561 1.786 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.287 3.388 -1.920 1.00 0.00 H new ATOM 596 N THR A 40 -9.530 1.061 -2.503 1.00 0.00 N ATOM 597 CA THR A 40 -10.390 0.069 -1.870 1.00 0.00 C ATOM 598 C THR A 40 -10.368 -1.247 -2.638 1.00 0.00 C ATOM 599 O THR A 40 -10.260 -2.320 -2.045 1.00 0.00 O ATOM 600 CB THR A 40 -11.843 0.568 -1.770 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.899 1.758 -0.975 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.741 -0.498 -1.160 1.00 0.00 C ATOM 0 H THR A 40 -10.017 1.898 -2.824 1.00 0.00 H new ATOM 0 HA THR A 40 -10.000 -0.093 -0.865 1.00 0.00 H new ATOM 0 HB THR A 40 -12.198 0.787 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.979 2.539 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.762 -0.122 -1.100 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.719 -1.392 -1.783 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.385 -0.744 -0.160 1.00 0.00 H new ATOM 610 N GLN A 41 -10.472 -1.157 -3.961 1.00 0.00 N ATOM 611 CA GLN A 41 -10.464 -2.343 -4.809 1.00 0.00 C ATOM 612 C GLN A 41 -9.188 -3.151 -4.605 1.00 0.00 C ATOM 613 O GLN A 41 -9.237 -4.352 -4.344 1.00 0.00 O ATOM 614 CB GLN A 41 -10.600 -1.944 -6.280 1.00 0.00 C ATOM 615 CG GLN A 41 -10.468 -3.113 -7.242 1.00 0.00 C ATOM 616 CD GLN A 41 -11.656 -4.054 -7.185 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.709 -3.711 -6.646 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.492 -5.249 -7.739 1.00 0.00 N ATOM 0 H GLN A 41 -10.563 -0.276 -4.467 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.314 -2.965 -4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.569 -1.468 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.839 -1.201 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.360 -2.732 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.559 -3.668 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.602 -5.491 -8.175 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.256 -5.925 -7.729 1.00 0.00 H new ATOM 627 N ILE A 42 -8.046 -2.482 -4.726 1.00 0.00 N ATOM 628 CA ILE A 42 -6.755 -3.138 -4.554 1.00 0.00 C ATOM 629 C ILE A 42 -6.683 -3.866 -3.216 1.00 0.00 C ATOM 630 O ILE A 42 -6.348 -5.050 -3.158 1.00 0.00 O ATOM 631 CB ILE A 42 -5.594 -2.130 -4.640 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.618 -1.408 -5.989 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.263 -2.837 -4.434 1.00 0.00 C ATOM 634 CD1 ILE A 42 -5.035 -0.013 -5.937 1.00 0.00 C ATOM 0 H ILE A 42 -7.988 -1.487 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.658 -3.860 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.715 -1.389 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.063 -1.998 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.647 -1.350 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.452 -2.112 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.250 -3.310 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.131 -3.597 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.084 0.439 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.604 0.593 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.995 -0.065 -5.613 1.00 0.00 H new ATOM 646 N ARG A 43 -7.001 -3.151 -2.142 1.00 0.00 N ATOM 647 CA ARG A 43 -6.974 -3.729 -0.803 1.00 0.00 C ATOM 648 C ARG A 43 -7.699 -5.072 -0.775 1.00 0.00 C ATOM 649 O ARG A 43 -7.114 -6.098 -0.428 1.00 0.00 O ATOM 650 CB ARG A 43 -7.613 -2.770 0.202 1.00 0.00 C ATOM 651 CG ARG A 43 -6.816 -1.494 0.420 1.00 0.00 C ATOM 652 CD ARG A 43 -7.665 -0.410 1.063 1.00 0.00 C ATOM 653 NE ARG A 43 -7.811 -0.610 2.502 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.677 0.061 3.253 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.471 0.970 2.705 1.00 0.00 N ATOM 656 NH2 ARG A 43 -8.750 -0.178 4.557 1.00 0.00 N ATOM 0 H ARG A 43 -7.280 -2.170 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.933 -3.893 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.613 -2.509 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.730 -3.283 1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.954 -1.706 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.430 -1.137 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.212 0.564 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.650 -0.397 0.597 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.215 -1.303 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.418 1.156 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.135 1.483 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.141 -0.877 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.415 0.337 5.134 1.00 0.00 H new ATOM 670 N LEU A 44 -8.976 -5.055 -1.141 1.00 0.00 N ATOM 671 CA LEU A 44 -9.783 -6.271 -1.159 1.00 0.00 C ATOM 672 C LEU A 44 -9.143 -7.337 -2.043 1.00 0.00 C ATOM 673 O LEU A 44 -9.101 -8.512 -1.681 1.00 0.00 O ATOM 674 CB LEU A 44 -11.196 -5.961 -1.654 1.00 0.00 C ATOM 675 CG LEU A 44 -12.086 -5.172 -0.693 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.329 -4.667 -1.409 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.470 -6.030 0.504 1.00 0.00 C ATOM 0 H LEU A 44 -9.475 -4.213 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.838 -6.656 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.118 -5.402 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.693 -6.903 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.524 -4.310 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.950 -4.108 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.035 -4.017 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.894 -5.514 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.103 -5.452 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.013 -6.911 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.569 -6.342 1.032 1.00 0.00 H new ATOM 689 N GLU A 45 -8.645 -6.916 -3.201 1.00 0.00 N ATOM 690 CA GLU A 45 -8.007 -7.835 -4.136 1.00 0.00 C ATOM 691 C GLU A 45 -6.882 -8.610 -3.455 1.00 0.00 C ATOM 692 O GLU A 45 -6.801 -9.833 -3.565 1.00 0.00 O ATOM 693 CB GLU A 45 -7.456 -7.071 -5.342 1.00 0.00 C ATOM 694 CG GLU A 45 -6.740 -7.955 -6.348 1.00 0.00 C ATOM 695 CD GLU A 45 -6.207 -7.176 -7.535 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.935 -5.967 -7.378 1.00 0.00 O ATOM 697 OE2 GLU A 45 -6.061 -7.775 -8.621 1.00 0.00 O ATOM 0 H GLU A 45 -8.671 -5.946 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.760 -8.545 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.277 -6.558 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.767 -6.303 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.914 -8.466 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.426 -8.725 -6.702 1.00 0.00 H new ATOM 704 N HIS A 46 -6.015 -7.888 -2.752 1.00 0.00 N ATOM 705 CA HIS A 46 -4.895 -8.507 -2.052 1.00 0.00 C ATOM 706 C HIS A 46 -5.235 -8.744 -0.584 1.00 0.00 C ATOM 707 O HIS A 46 -4.355 -9.023 0.230 1.00 0.00 O ATOM 708 CB HIS A 46 -3.649 -7.627 -2.163 1.00 0.00 C ATOM 709 CG HIS A 46 -3.209 -7.388 -3.575 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.724 -8.387 -4.391 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.185 -6.254 -4.313 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.417 -7.877 -5.571 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.689 -6.585 -5.550 1.00 0.00 N ATOM 0 H HIS A 46 -6.067 -6.874 -2.652 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.694 -9.471 -2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.848 -6.667 -1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.834 -8.094 -1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.498 -5.272 -3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.012 -8.424 -6.410 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.553 -5.938 -6.327 1.00 0.00 H new ATOM 721 N ASP A 47 -6.517 -8.631 -0.254 1.00 0.00 N ATOM 722 CA ASP A 47 -6.974 -8.834 1.117 1.00 0.00 C ATOM 723 C ASP A 47 -6.011 -8.194 2.112 1.00 0.00 C ATOM 724 O ASP A 47 -5.553 -8.841 3.053 1.00 0.00 O ATOM 725 CB ASP A 47 -7.115 -10.328 1.414 1.00 0.00 C ATOM 726 CG ASP A 47 -8.162 -10.995 0.544 1.00 0.00 C ATOM 727 OD1 ASP A 47 -7.871 -11.254 -0.642 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.274 -11.257 1.049 1.00 0.00 O ATOM 0 H ASP A 47 -7.258 -8.400 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.948 -8.356 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.154 -10.818 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.378 -10.464 2.463 1.00 0.00 H new ATOM 733 N VAL A 48 -5.707 -6.918 1.895 1.00 0.00 N ATOM 734 CA VAL A 48 -4.798 -6.190 2.772 1.00 0.00 C ATOM 735 C VAL A 48 -5.407 -4.865 3.216 1.00 0.00 C ATOM 736 O VAL A 48 -6.502 -4.499 2.790 1.00 0.00 O ATOM 737 CB VAL A 48 -3.449 -5.916 2.080 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.706 -7.218 1.824 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.663 -5.149 0.783 1.00 0.00 C ATOM 0 H VAL A 48 -6.077 -6.368 1.120 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.628 -6.820 3.645 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.838 -5.302 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.756 -7.004 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.521 -7.724 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.308 -7.860 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.700 -4.964 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.292 -5.735 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.150 -4.198 0.999 1.00 0.00 H new ATOM 749 N ASN A 49 -4.689 -4.149 4.075 1.00 0.00 N ATOM 750 CA ASN A 49 -5.160 -2.863 4.579 1.00 0.00 C ATOM 751 C ASN A 49 -4.148 -1.760 4.282 1.00 0.00 C ATOM 752 O ASN A 49 -2.994 -1.831 4.707 1.00 0.00 O ATOM 753 CB ASN A 49 -5.416 -2.943 6.084 1.00 0.00 C ATOM 754 CG ASN A 49 -5.456 -1.576 6.738 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.422 -0.828 6.582 1.00 0.00 O ATOM 756 ND2 ASN A 49 -4.404 -1.243 7.476 1.00 0.00 N ATOM 0 H ASN A 49 -3.780 -4.437 4.437 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.094 -2.622 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.361 -3.455 6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.635 -3.543 6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.374 -0.336 7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.626 -1.894 7.578 1.00 0.00 H new ATOM 763 N ILE A 50 -4.588 -0.741 3.551 1.00 0.00 N ATOM 764 CA ILE A 50 -3.722 0.377 3.200 1.00 0.00 C ATOM 765 C ILE A 50 -4.130 1.644 3.944 1.00 0.00 C ATOM 766 O ILE A 50 -5.309 1.993 3.995 1.00 0.00 O ATOM 767 CB ILE A 50 -3.747 0.655 1.685 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.168 -0.535 0.917 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.974 1.925 1.367 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.459 -0.495 -0.567 1.00 0.00 C ATOM 0 H ILE A 50 -5.539 -0.667 3.191 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.711 0.096 3.493 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.782 0.796 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.089 -0.564 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.572 -1.458 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.001 2.108 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.427 2.767 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.939 1.812 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.019 -1.369 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.537 -0.498 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.031 0.410 -0.997 1.00 0.00 H new ATOM 782 N GLN A 51 -3.146 2.328 4.521 1.00 0.00 N ATOM 783 CA GLN A 51 -3.404 3.557 5.261 1.00 0.00 C ATOM 784 C GLN A 51 -2.346 4.611 4.952 1.00 0.00 C ATOM 785 O GLN A 51 -1.166 4.428 5.255 1.00 0.00 O ATOM 786 CB GLN A 51 -3.435 3.274 6.764 1.00 0.00 C ATOM 787 CG GLN A 51 -3.735 4.502 7.609 1.00 0.00 C ATOM 788 CD GLN A 51 -4.360 4.153 8.945 1.00 0.00 C ATOM 789 OE1 GLN A 51 -4.733 3.005 9.189 1.00 0.00 O ATOM 790 NE2 GLN A 51 -4.477 5.144 9.821 1.00 0.00 N ATOM 0 H GLN A 51 -2.165 2.052 4.490 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.375 3.942 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.187 2.512 6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.473 2.861 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.812 5.056 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.407 5.161 7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.155 6.081 9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.889 4.969 10.737 1.00 0.00 H new ATOM 799 N PHE A 52 -2.775 5.713 4.348 1.00 0.00 N ATOM 800 CA PHE A 52 -1.864 6.796 3.995 1.00 0.00 C ATOM 801 C PHE A 52 -1.686 7.760 5.166 1.00 0.00 C ATOM 802 O PHE A 52 -2.568 7.921 6.009 1.00 0.00 O ATOM 803 CB PHE A 52 -2.385 7.553 2.772 1.00 0.00 C ATOM 804 CG PHE A 52 -2.442 6.713 1.527 1.00 0.00 C ATOM 805 CD1 PHE A 52 -1.289 6.432 0.812 1.00 0.00 C ATOM 806 CD2 PHE A 52 -3.648 6.205 1.073 1.00 0.00 C ATOM 807 CE1 PHE A 52 -1.337 5.660 -0.332 1.00 0.00 C ATOM 808 CE2 PHE A 52 -3.702 5.432 -0.071 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.545 5.160 -0.776 1.00 0.00 C ATOM 0 H PHE A 52 -3.748 5.880 4.092 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.895 6.358 3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.382 7.935 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.745 8.417 2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.341 6.821 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.556 6.415 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.430 5.448 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.648 5.040 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.586 4.558 -1.672 1.00 0.00 H new ATOM 819 N PRO A 53 -0.518 8.415 5.219 1.00 0.00 N ATOM 820 CA PRO A 53 -0.196 9.375 6.281 1.00 0.00 C ATOM 821 C PRO A 53 -1.022 10.653 6.176 1.00 0.00 C ATOM 822 O PRO A 53 -1.585 10.956 5.125 1.00 0.00 O ATOM 823 CB PRO A 53 1.286 9.676 6.050 1.00 0.00 C ATOM 824 CG PRO A 53 1.508 9.402 4.602 1.00 0.00 C ATOM 825 CD PRO A 53 0.579 8.273 4.247 1.00 0.00 C ATOM 0 HA PRO A 53 -0.414 8.976 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.523 10.711 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.920 9.046 6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.296 10.286 4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.546 9.128 4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.220 8.356 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.071 7.305 4.335 1.00 0.00 H new ATOM 833 N ASP A 54 -1.088 11.399 7.274 1.00 0.00 N ATOM 834 CA ASP A 54 -1.844 12.646 7.305 1.00 0.00 C ATOM 835 C ASP A 54 -0.922 13.845 7.110 1.00 0.00 C ATOM 836 O ASP A 54 -0.008 14.075 7.904 1.00 0.00 O ATOM 837 CB ASP A 54 -2.598 12.776 8.630 1.00 0.00 C ATOM 838 CG ASP A 54 -3.764 13.741 8.539 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.553 14.886 8.088 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.888 13.351 8.919 1.00 0.00 O ATOM 0 H ASP A 54 -0.628 11.162 8.153 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.563 12.627 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.964 11.795 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.910 13.114 9.405 1.00 0.00 H new ATOM 845 N LYS A 55 -1.166 14.606 6.050 1.00 0.00 N ATOM 846 CA LYS A 55 -0.359 15.783 5.749 1.00 0.00 C ATOM 847 C LYS A 55 -0.695 16.931 6.696 1.00 0.00 C ATOM 848 O LYS A 55 0.122 17.825 6.918 1.00 0.00 O ATOM 849 CB LYS A 55 -0.581 16.223 4.300 1.00 0.00 C ATOM 850 CG LYS A 55 -2.012 16.632 4.001 1.00 0.00 C ATOM 851 CD LYS A 55 -2.233 18.114 4.258 1.00 0.00 C ATOM 852 CE LYS A 55 -1.707 18.964 3.112 1.00 0.00 C ATOM 853 NZ LYS A 55 -2.334 20.314 3.091 1.00 0.00 N ATOM 0 H LYS A 55 -1.917 14.429 5.383 1.00 0.00 H new ATOM 0 HA LYS A 55 0.689 15.517 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.081 17.060 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.298 15.408 3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.247 16.403 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.695 16.049 4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.297 18.306 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.735 18.402 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.626 19.067 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.901 18.459 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.950 20.863 2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.363 20.217 2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.128 20.807 3.983 1.00 0.00 H new ATOM 867 N ASP A 56 -1.900 16.897 7.254 1.00 0.00 N ATOM 868 CA ASP A 56 -2.344 17.933 8.180 1.00 0.00 C ATOM 869 C ASP A 56 -1.627 17.806 9.520 1.00 0.00 C ATOM 870 O ASP A 56 -1.556 18.764 10.291 1.00 0.00 O ATOM 871 CB ASP A 56 -3.857 17.850 8.385 1.00 0.00 C ATOM 872 CG ASP A 56 -4.436 19.135 8.945 1.00 0.00 C ATOM 873 OD1 ASP A 56 -4.006 20.222 8.504 1.00 0.00 O ATOM 874 OD2 ASP A 56 -5.322 19.054 9.822 1.00 0.00 O ATOM 0 H ASP A 56 -2.587 16.163 7.081 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.098 18.903 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.338 17.622 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.085 17.027 9.062 1.00 0.00 H new ATOM 879 N ASP A 57 -1.100 16.618 9.794 1.00 0.00 N ATOM 880 CA ASP A 57 -0.389 16.365 11.041 1.00 0.00 C ATOM 881 C ASP A 57 1.078 16.767 10.922 1.00 0.00 C ATOM 882 O ASP A 57 1.519 17.734 11.541 1.00 0.00 O ATOM 883 CB ASP A 57 -0.498 14.888 11.424 1.00 0.00 C ATOM 884 CG ASP A 57 -0.480 14.676 12.925 1.00 0.00 C ATOM 885 OD1 ASP A 57 0.624 14.649 13.508 1.00 0.00 O ATOM 886 OD2 ASP A 57 -1.571 14.539 13.517 1.00 0.00 O ATOM 0 H ASP A 57 -1.152 15.814 9.168 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.849 16.970 11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.420 14.476 11.013 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.327 14.337 10.972 1.00 0.00 H new ATOM 891 N GLY A 58 1.829 16.016 10.122 1.00 0.00 N ATOM 892 CA GLY A 58 3.238 16.308 9.938 1.00 0.00 C ATOM 893 C GLY A 58 4.132 15.390 10.748 1.00 0.00 C ATOM 894 O GLY A 58 5.228 15.038 10.314 1.00 0.00 O ATOM 0 H GLY A 58 1.486 15.211 9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.490 16.216 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.432 17.342 10.223 1.00 0.00 H new ATOM 898 N ASN A 59 3.663 15.001 11.929 1.00 0.00 N ATOM 899 CA ASN A 59 4.429 14.119 12.803 1.00 0.00 C ATOM 900 C ASN A 59 4.790 12.822 12.086 1.00 0.00 C ATOM 901 O ASN A 59 5.853 12.248 12.320 1.00 0.00 O ATOM 902 CB ASN A 59 3.634 13.809 14.072 1.00 0.00 C ATOM 903 CG ASN A 59 3.561 14.995 15.014 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.718 15.561 15.342 1.00 0.00 O flip ATOM 905 ND2 ASN A 59 2.479 15.399 15.441 1.00 0.00 N flip ATOM 0 H ASN A 59 2.757 15.282 12.303 1.00 0.00 H new ATOM 0 HA ASN A 59 5.352 14.631 13.076 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.624 13.503 13.799 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.094 12.966 14.588 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.615 14.934 15.163 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.447 16.199 16.073 1.00 0.00 H new ATOM 912 N GLN A 60 3.899 12.368 11.211 1.00 0.00 N ATOM 913 CA GLN A 60 4.124 11.139 10.459 1.00 0.00 C ATOM 914 C GLN A 60 4.636 11.445 9.056 1.00 0.00 C ATOM 915 O GLN A 60 4.402 12.520 8.505 1.00 0.00 O ATOM 916 CB GLN A 60 2.833 10.322 10.378 1.00 0.00 C ATOM 917 CG GLN A 60 1.905 10.530 11.564 1.00 0.00 C ATOM 918 CD GLN A 60 0.912 11.652 11.338 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.973 12.359 10.332 1.00 0.00 O ATOM 920 NE2 GLN A 60 -0.013 11.822 12.276 1.00 0.00 N ATOM 0 H GLN A 60 3.015 12.833 11.005 1.00 0.00 H new ATOM 0 HA GLN A 60 4.882 10.556 10.983 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.303 10.585 9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.086 9.264 10.307 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.363 9.605 11.763 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.499 10.749 12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.027 11.213 13.094 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.709 12.561 12.178 1.00 0.00 H new ATOM 929 N PRO A 61 5.352 10.479 8.463 1.00 0.00 N ATOM 930 CA PRO A 61 5.912 10.621 7.117 1.00 0.00 C ATOM 931 C PRO A 61 4.835 10.620 6.037 1.00 0.00 C ATOM 932 O PRO A 61 4.115 9.636 5.869 1.00 0.00 O ATOM 933 CB PRO A 61 6.813 9.391 6.974 1.00 0.00 C ATOM 934 CG PRO A 61 6.233 8.387 7.909 1.00 0.00 C ATOM 935 CD PRO A 61 5.670 9.171 9.062 1.00 0.00 C ATOM 0 HA PRO A 61 6.438 11.568 6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.818 9.021 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.846 9.624 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.455 7.801 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.994 7.685 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.783 8.693 9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.391 9.266 9.874 1.00 0.00 H new ATOM 943 N GLN A 62 4.731 11.727 5.310 1.00 0.00 N ATOM 944 CA GLN A 62 3.740 11.853 4.247 1.00 0.00 C ATOM 945 C GLN A 62 4.193 11.115 2.991 1.00 0.00 C ATOM 946 O GLN A 62 3.390 10.836 2.100 1.00 0.00 O ATOM 947 CB GLN A 62 3.490 13.327 3.925 1.00 0.00 C ATOM 948 CG GLN A 62 3.199 14.177 5.152 1.00 0.00 C ATOM 949 CD GLN A 62 2.066 13.620 5.991 1.00 0.00 C ATOM 950 OE1 GLN A 62 0.988 13.319 5.479 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.306 13.481 7.290 1.00 0.00 N ATOM 0 H GLN A 62 5.320 12.550 5.437 1.00 0.00 H new ATOM 0 HA GLN A 62 2.811 11.403 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.363 13.731 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.651 13.402 3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.099 14.246 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.949 15.190 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.215 13.743 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.582 13.112 7.906 1.00 0.00 H new ATOM 960 N ASP A 63 5.482 10.801 2.928 1.00 0.00 N ATOM 961 CA ASP A 63 6.041 10.095 1.782 1.00 0.00 C ATOM 962 C ASP A 63 5.974 8.584 1.989 1.00 0.00 C ATOM 963 O ASP A 63 6.114 7.812 1.040 1.00 0.00 O ATOM 964 CB ASP A 63 7.490 10.525 1.548 1.00 0.00 C ATOM 965 CG ASP A 63 8.443 9.933 2.567 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.632 10.555 3.634 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.999 8.848 2.298 1.00 0.00 O ATOM 0 H ASP A 63 6.159 11.024 3.657 1.00 0.00 H new ATOM 0 HA ASP A 63 5.447 10.351 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.799 10.222 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.553 11.613 1.585 1.00 0.00 H new ATOM 972 N GLN A 64 5.760 8.172 3.233 1.00 0.00 N ATOM 973 CA GLN A 64 5.677 6.754 3.563 1.00 0.00 C ATOM 974 C GLN A 64 4.224 6.298 3.645 1.00 0.00 C ATOM 975 O GLN A 64 3.353 7.046 4.091 1.00 0.00 O ATOM 976 CB GLN A 64 6.386 6.475 4.890 1.00 0.00 C ATOM 977 CG GLN A 64 7.902 6.541 4.795 1.00 0.00 C ATOM 978 CD GLN A 64 8.525 5.200 4.458 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.356 4.766 3.215 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.150 4.563 5.305 1.00 0.00 N flip ATOM 0 H GLN A 64 5.641 8.799 4.029 1.00 0.00 H new ATOM 0 HA GLN A 64 6.171 6.193 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.045 7.196 5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.095 5.487 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.183 7.269 4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.306 6.897 5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.255 4.936 6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.563 3.662 5.063 1.00 0.00 H new ATOM 989 N ILE A 65 3.969 5.068 3.211 1.00 0.00 N ATOM 990 CA ILE A 65 2.621 4.514 3.236 1.00 0.00 C ATOM 991 C ILE A 65 2.576 3.214 4.032 1.00 0.00 C ATOM 992 O ILE A 65 3.238 2.235 3.683 1.00 0.00 O ATOM 993 CB ILE A 65 2.094 4.250 1.813 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.350 5.465 0.918 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.611 3.916 1.850 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.154 5.182 -0.556 1.00 0.00 C ATOM 0 H ILE A 65 4.678 4.437 2.838 1.00 0.00 H new ATOM 0 HA ILE A 65 1.984 5.255 3.719 1.00 0.00 H new ATOM 0 HB ILE A 65 2.628 3.396 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.682 6.273 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.369 5.817 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.254 3.732 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.454 3.025 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.061 4.751 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.352 6.087 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.841 4.396 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.128 4.859 -0.731 1.00 0.00 H new ATOM 1008 N THR A 66 1.788 3.209 5.103 1.00 0.00 N ATOM 1009 CA THR A 66 1.656 2.030 5.948 1.00 0.00 C ATOM 1010 C THR A 66 0.662 1.037 5.354 1.00 0.00 C ATOM 1011 O THR A 66 -0.402 1.423 4.871 1.00 0.00 O ATOM 1012 CB THR A 66 1.200 2.406 7.370 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.676 3.713 7.707 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.710 1.396 8.388 1.00 0.00 C ATOM 0 H THR A 66 1.232 4.009 5.405 1.00 0.00 H new ATOM 0 HA THR A 66 2.641 1.567 6.001 1.00 0.00 H new ATOM 0 HB THR A 66 0.110 2.400 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.380 3.946 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.375 1.683 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.321 0.407 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.800 1.374 8.364 1.00 0.00 H new ATOM 1022 N ILE A 67 1.017 -0.243 5.395 1.00 0.00 N ATOM 1023 CA ILE A 67 0.155 -1.291 4.863 1.00 0.00 C ATOM 1024 C ILE A 67 0.230 -2.552 5.717 1.00 0.00 C ATOM 1025 O ILE A 67 1.291 -3.163 5.852 1.00 0.00 O ATOM 1026 CB ILE A 67 0.530 -1.645 3.411 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.471 -0.398 2.527 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.396 -2.727 2.874 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.093 -0.593 1.163 1.00 0.00 C ATOM 0 H ILE A 67 1.895 -0.579 5.791 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.863 -0.902 4.883 1.00 0.00 H new ATOM 0 HB ILE A 67 1.550 -2.028 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.570 -0.100 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.979 0.422 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.119 -2.967 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.308 -3.621 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.425 -2.370 2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.015 0.332 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.143 -0.861 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.570 -1.391 0.635 1.00 0.00 H new ATOM 1041 N THR A 68 -0.904 -2.939 6.292 1.00 0.00 N ATOM 1042 CA THR A 68 -0.967 -4.128 7.133 1.00 0.00 C ATOM 1043 C THR A 68 -1.504 -5.324 6.356 1.00 0.00 C ATOM 1044 O THR A 68 -2.284 -5.167 5.417 1.00 0.00 O ATOM 1045 CB THR A 68 -1.856 -3.895 8.370 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.718 -2.544 8.825 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.486 -4.852 9.491 1.00 0.00 C ATOM 0 H THR A 68 -1.791 -2.446 6.191 1.00 0.00 H new ATOM 0 HA THR A 68 0.052 -4.337 7.460 1.00 0.00 H new ATOM 0 HB THR A 68 -2.892 -4.078 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.287 -2.403 9.610 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.127 -4.668 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.620 -5.879 9.152 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.445 -4.696 9.774 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.079 -6.520 6.751 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.528 -7.726 6.080 1.00 0.00 C ATOM 1057 C GLY A 69 -0.424 -8.756 5.940 1.00 0.00 C ATOM 1058 O GLY A 69 0.704 -8.532 6.381 1.00 0.00 O ATOM 0 H GLY A 69 -0.432 -6.675 7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.358 -8.161 6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.908 -7.468 5.091 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.748 -9.888 5.325 1.00 0.00 N ATOM 1063 CA TYR A 70 0.223 -10.958 5.133 1.00 0.00 C ATOM 1064 C TYR A 70 1.459 -10.446 4.399 1.00 0.00 C ATOM 1065 O TYR A 70 1.360 -9.902 3.300 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.406 -12.112 4.349 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.452 -12.875 5.132 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.108 -13.601 6.265 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.785 -12.868 4.737 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.060 -14.300 6.981 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.743 -13.563 5.448 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.376 -14.277 6.570 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.327 -14.972 7.282 1.00 0.00 O ATOM 0 H TYR A 70 -1.676 -10.088 4.951 1.00 0.00 H new ATOM 0 HA TYR A 70 0.528 -11.318 6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.860 -11.718 3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.380 -12.801 4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.079 -13.619 6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.076 -12.310 3.859 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.775 -14.862 7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.774 -13.548 5.128 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.204 -14.851 6.861 1.00 0.00 H new ATOM 1083 N GLU A 71 2.622 -10.626 5.016 1.00 0.00 N ATOM 1084 CA GLU A 71 3.878 -10.182 4.423 1.00 0.00 C ATOM 1085 C GLU A 71 3.885 -10.428 2.918 1.00 0.00 C ATOM 1086 O GLU A 71 4.542 -9.711 2.163 1.00 0.00 O ATOM 1087 CB GLU A 71 5.059 -10.904 5.075 1.00 0.00 C ATOM 1088 CG GLU A 71 6.364 -10.749 4.311 1.00 0.00 C ATOM 1089 CD GLU A 71 7.502 -11.531 4.937 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.416 -12.777 4.973 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.479 -10.898 5.390 1.00 0.00 O ATOM 0 H GLU A 71 2.721 -11.076 5.926 1.00 0.00 H new ATOM 0 HA GLU A 71 3.975 -9.111 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.193 -10.523 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.822 -11.964 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.221 -11.083 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.633 -9.694 4.269 1.00 0.00 H new ATOM 1098 N LYS A 72 3.150 -11.448 2.487 1.00 0.00 N ATOM 1099 CA LYS A 72 3.070 -11.791 1.072 1.00 0.00 C ATOM 1100 C LYS A 72 2.099 -10.869 0.343 1.00 0.00 C ATOM 1101 O LYS A 72 2.485 -10.141 -0.570 1.00 0.00 O ATOM 1102 CB LYS A 72 2.631 -13.247 0.903 1.00 0.00 C ATOM 1103 CG LYS A 72 3.701 -14.254 1.291 1.00 0.00 C ATOM 1104 CD LYS A 72 4.869 -14.226 0.320 1.00 0.00 C ATOM 1105 CE LYS A 72 5.848 -15.359 0.593 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.328 -16.668 0.110 1.00 0.00 N ATOM 0 H LYS A 72 2.601 -12.052 3.098 1.00 0.00 H new ATOM 0 HA LYS A 72 4.061 -11.664 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.742 -13.422 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.347 -13.414 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.058 -14.038 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.269 -15.255 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.496 -14.304 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.386 -13.270 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.799 -15.143 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.045 -15.419 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.057 -17.399 0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.480 -16.926 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.084 -16.594 -0.898 1.00 0.00 H new ATOM 1120 N ASN A 73 0.835 -10.903 0.754 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.192 -10.069 0.141 1.00 0.00 C ATOM 1122 C ASN A 73 0.232 -8.604 0.131 1.00 0.00 C ATOM 1123 O ASN A 73 0.263 -7.962 -0.920 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.518 -10.223 0.889 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.131 -11.596 0.702 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.634 -12.411 -0.077 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.219 -11.861 1.417 1.00 0.00 N ATOM 0 H ASN A 73 0.498 -11.500 1.509 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.324 -10.398 -0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.356 -10.042 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.219 -9.465 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.676 -12.769 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.597 -11.157 2.050 1.00 0.00 H new ATOM 1134 N THR A 74 0.560 -8.079 1.308 1.00 0.00 N ATOM 1135 CA THR A 74 0.981 -6.690 1.435 1.00 0.00 C ATOM 1136 C THR A 74 1.916 -6.293 0.298 1.00 0.00 C ATOM 1137 O THR A 74 1.642 -5.346 -0.439 1.00 0.00 O ATOM 1138 CB THR A 74 1.690 -6.440 2.779 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.689 -7.442 3.000 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.693 -6.448 3.928 1.00 0.00 C ATOM 0 H THR A 74 0.542 -8.596 2.187 1.00 0.00 H new ATOM 0 HA THR A 74 0.079 -6.080 1.389 1.00 0.00 H new ATOM 0 HB THR A 74 2.163 -5.459 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.240 -7.191 3.771 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.218 -6.269 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.048 -5.664 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.194 -7.416 3.970 1.00 0.00 H new ATOM 1148 N GLU A 75 3.019 -7.023 0.162 1.00 0.00 N ATOM 1149 CA GLU A 75 3.993 -6.746 -0.886 1.00 0.00 C ATOM 1150 C GLU A 75 3.317 -6.673 -2.253 1.00 0.00 C ATOM 1151 O GLU A 75 3.672 -5.843 -3.089 1.00 0.00 O ATOM 1152 CB GLU A 75 5.081 -7.820 -0.900 1.00 0.00 C ATOM 1153 CG GLU A 75 6.070 -7.701 0.248 1.00 0.00 C ATOM 1154 CD GLU A 75 7.159 -6.682 -0.025 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.712 -6.689 -1.144 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.460 -5.878 0.882 1.00 0.00 O ATOM 0 H GLU A 75 3.260 -7.810 0.764 1.00 0.00 H new ATOM 0 HA GLU A 75 4.450 -5.779 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.610 -8.802 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.624 -7.763 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.535 -7.422 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.526 -8.674 0.433 1.00 0.00 H new ATOM 1163 N ALA A 76 2.341 -7.549 -2.471 1.00 0.00 N ATOM 1164 CA ALA A 76 1.614 -7.584 -3.733 1.00 0.00 C ATOM 1165 C ALA A 76 0.879 -6.272 -3.980 1.00 0.00 C ATOM 1166 O ALA A 76 0.817 -5.787 -5.110 1.00 0.00 O ATOM 1167 CB ALA A 76 0.637 -8.751 -3.747 1.00 0.00 C ATOM 0 H ALA A 76 2.036 -8.244 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 76 2.337 -7.721 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.101 -8.765 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.185 -9.686 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.075 -8.639 -2.929 1.00 0.00 H new ATOM 1173 N ALA A 77 0.321 -5.702 -2.917 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.410 -4.445 -3.019 1.00 0.00 C ATOM 1175 C ALA A 77 0.546 -3.261 -3.120 1.00 0.00 C ATOM 1176 O ALA A 77 0.375 -2.384 -3.966 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.338 -4.276 -1.825 1.00 0.00 C ATOM 0 H ALA A 77 0.361 -6.091 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.009 -4.474 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.878 -3.333 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.050 -5.101 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.752 -4.273 -0.906 1.00 0.00 H new ATOM 1183 N ARG A 78 1.552 -3.243 -2.251 1.00 0.00 N ATOM 1184 CA ARG A 78 2.534 -2.166 -2.243 1.00 0.00 C ATOM 1185 C ARG A 78 3.173 -2.001 -3.619 1.00 0.00 C ATOM 1186 O ARG A 78 3.677 -0.929 -3.956 1.00 0.00 O ATOM 1187 CB ARG A 78 3.616 -2.442 -1.197 1.00 0.00 C ATOM 1188 CG ARG A 78 4.802 -3.224 -1.738 1.00 0.00 C ATOM 1189 CD ARG A 78 5.882 -2.298 -2.273 1.00 0.00 C ATOM 1190 NE ARG A 78 6.695 -2.943 -3.301 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.919 -2.544 -3.628 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.468 -1.507 -3.011 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.596 -3.182 -4.574 1.00 0.00 N ATOM 0 H ARG A 78 1.708 -3.962 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 78 2.018 -1.240 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.971 -1.493 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.175 -2.995 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.217 -3.851 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.467 -3.892 -2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.419 -1.402 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.523 -1.976 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 78 6.301 -3.744 -3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.950 -1.014 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.408 -1.202 -3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.177 -3.980 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.536 -2.874 -4.824 1.00 0.00 H new ATOM 1207 N ASP A 79 3.149 -3.069 -4.409 1.00 0.00 N ATOM 1208 CA ASP A 79 3.725 -3.042 -5.748 1.00 0.00 C ATOM 1209 C ASP A 79 2.921 -2.129 -6.667 1.00 0.00 C ATOM 1210 O ASP A 79 3.464 -1.534 -7.598 1.00 0.00 O ATOM 1211 CB ASP A 79 3.777 -4.455 -6.332 1.00 0.00 C ATOM 1212 CG ASP A 79 4.616 -4.530 -7.592 1.00 0.00 C ATOM 1213 OD1 ASP A 79 4.632 -3.540 -8.354 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.256 -5.578 -7.817 1.00 0.00 O ATOM 0 H ASP A 79 2.737 -3.964 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 79 4.739 -2.650 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.184 -5.138 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.764 -4.791 -6.553 1.00 0.00 H new ATOM 1219 N ALA A 80 1.623 -2.022 -6.401 1.00 0.00 N ATOM 1220 CA ALA A 80 0.744 -1.181 -7.203 1.00 0.00 C ATOM 1221 C ALA A 80 1.084 0.295 -7.025 1.00 0.00 C ATOM 1222 O ALA A 80 1.262 1.023 -8.002 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.711 -1.437 -6.838 1.00 0.00 C ATOM 0 H ALA A 80 1.157 -2.508 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 80 0.894 -1.438 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.356 -0.802 -7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.954 -2.483 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.867 -1.210 -5.783 1.00 0.00 H new ATOM 1229 N ILE A 81 1.172 0.730 -5.772 1.00 0.00 N ATOM 1230 CA ILE A 81 1.491 2.119 -5.467 1.00 0.00 C ATOM 1231 C ILE A 81 2.649 2.618 -6.324 1.00 0.00 C ATOM 1232 O ILE A 81 2.714 3.797 -6.675 1.00 0.00 O ATOM 1233 CB ILE A 81 1.852 2.300 -3.981 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.660 1.929 -3.095 1.00 0.00 C ATOM 1235 CG2 ILE A 81 2.293 3.731 -3.713 1.00 0.00 C ATOM 1236 CD1 ILE A 81 1.023 1.753 -1.638 1.00 0.00 C ATOM 0 H ILE A 81 1.027 0.141 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 81 0.599 2.704 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 81 2.681 1.634 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.101 2.704 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.216 1.005 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.545 3.843 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.167 3.962 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.483 4.415 -3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.130 1.491 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.762 0.957 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.439 2.683 -1.252 1.00 0.00 H new ATOM 1248 N LEU A 82 3.563 1.713 -6.660 1.00 0.00 N ATOM 1249 CA LEU A 82 4.719 2.060 -7.478 1.00 0.00 C ATOM 1250 C LEU A 82 4.378 1.982 -8.963 1.00 0.00 C ATOM 1251 O LEU A 82 4.502 2.967 -9.691 1.00 0.00 O ATOM 1252 CB LEU A 82 5.891 1.129 -7.163 1.00 0.00 C ATOM 1253 CG LEU A 82 6.258 0.990 -5.685 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.310 -0.093 -5.496 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.751 2.318 -5.131 1.00 0.00 C ATOM 0 H LEU A 82 3.525 0.733 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 82 5.005 3.085 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.658 0.139 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.768 1.486 -7.703 1.00 0.00 H new ATOM 0 HG LEU A 82 5.364 0.699 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.559 -0.178 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.920 -1.046 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.206 0.168 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.008 2.200 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.633 2.639 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.966 3.068 -5.232 1.00 0.00 H new ATOM 1267 N ARG A 83 3.946 0.806 -9.405 1.00 0.00 N ATOM 1268 CA ARG A 83 3.586 0.599 -10.802 1.00 0.00 C ATOM 1269 C ARG A 83 2.866 1.822 -11.364 1.00 0.00 C ATOM 1270 O ARG A 83 2.950 2.110 -12.559 1.00 0.00 O ATOM 1271 CB ARG A 83 2.699 -0.639 -10.945 1.00 0.00 C ATOM 1272 CG ARG A 83 2.835 -1.332 -12.292 1.00 0.00 C ATOM 1273 CD ARG A 83 1.699 -2.316 -12.528 1.00 0.00 C ATOM 1274 NE ARG A 83 1.988 -3.231 -13.629 1.00 0.00 N ATOM 1275 CZ ARG A 83 1.409 -4.419 -13.768 1.00 0.00 C ATOM 1276 NH1 ARG A 83 0.516 -4.833 -12.880 1.00 0.00 N ATOM 1277 NH2 ARG A 83 1.725 -5.194 -14.797 1.00 0.00 N ATOM 0 H ARG A 83 3.837 -0.019 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 83 4.504 0.446 -11.369 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.947 -1.347 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.659 -0.349 -10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.843 -0.586 -13.087 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.789 -1.858 -12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.520 -2.889 -11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.783 -1.767 -12.744 1.00 0.00 H new ATOM 0 HE ARG A 83 2.671 -2.943 -14.329 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.272 -4.239 -12.087 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.073 -5.745 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.412 -4.878 -15.481 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.281 -6.106 -14.904 1.00 0.00 H new ATOM 1291 N ILE A 84 2.158 2.536 -10.496 1.00 0.00 N ATOM 1292 CA ILE A 84 1.424 3.727 -10.905 1.00 0.00 C ATOM 1293 C ILE A 84 2.340 4.944 -10.967 1.00 0.00 C ATOM 1294 O ILE A 84 2.605 5.482 -12.041 1.00 0.00 O ATOM 1295 CB ILE A 84 0.256 4.025 -9.947 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.588 2.768 -9.729 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.602 5.157 -10.494 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.323 2.754 -8.407 1.00 0.00 C ATOM 0 H ILE A 84 2.077 2.310 -9.505 1.00 0.00 H new ATOM 0 HA ILE A 84 1.025 3.525 -11.899 1.00 0.00 H new ATOM 0 HB ILE A 84 0.665 4.336 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.312 2.682 -10.539 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.058 1.892 -9.785 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.424 5.356 -9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.006 6.055 -10.602 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.004 4.872 -11.466 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.900 1.833 -8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.603 2.808 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.996 3.610 -8.356 1.00 0.00 H new ATOM 1310 N VAL A 85 2.824 5.372 -9.805 1.00 0.00 N ATOM 1311 CA VAL A 85 3.714 6.525 -9.726 1.00 0.00 C ATOM 1312 C VAL A 85 4.617 6.607 -10.951 1.00 0.00 C ATOM 1313 O VAL A 85 4.781 7.672 -11.544 1.00 0.00 O ATOM 1314 CB VAL A 85 4.589 6.471 -8.459 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.594 7.614 -8.456 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.722 6.511 -7.210 1.00 0.00 C ATOM 0 H VAL A 85 2.615 4.938 -8.906 1.00 0.00 H new ATOM 0 HA VAL A 85 3.082 7.412 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 85 5.141 5.531 -8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.203 7.560 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.236 7.536 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.063 8.566 -8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.357 6.472 -6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.141 7.433 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.046 5.656 -7.209 1.00 0.00 H new ATOM 1326 N GLY A 86 5.201 5.473 -11.326 1.00 0.00 N ATOM 1327 CA GLY A 86 6.080 5.437 -12.480 1.00 0.00 C ATOM 1328 C GLY A 86 5.488 6.144 -13.682 1.00 0.00 C ATOM 1329 O GLY A 86 6.139 6.990 -14.295 1.00 0.00 O ATOM 0 H GLY A 86 5.081 4.578 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.032 5.901 -12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.291 4.400 -12.740 1.00 0.00 H new ATOM 1333 N GLU A 87 4.251 5.797 -14.021 1.00 0.00 N ATOM 1334 CA GLU A 87 3.572 6.404 -15.160 1.00 0.00 C ATOM 1335 C GLU A 87 3.219 7.860 -14.871 1.00 0.00 C ATOM 1336 O GLU A 87 3.425 8.739 -15.709 1.00 0.00 O ATOM 1337 CB GLU A 87 2.305 5.618 -15.505 1.00 0.00 C ATOM 1338 CG GLU A 87 1.067 6.112 -14.776 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.178 5.328 -15.145 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.148 4.085 -15.046 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.183 5.962 -15.534 1.00 0.00 O ATOM 0 H GLU A 87 3.698 5.099 -13.523 1.00 0.00 H new ATOM 0 HA GLU A 87 4.251 6.376 -16.012 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.132 5.677 -16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.463 4.567 -15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.231 6.042 -13.701 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.910 7.166 -15.007 1.00 0.00 H new ATOM 1348 N LEU A 88 2.686 8.107 -13.679 1.00 0.00 N ATOM 1349 CA LEU A 88 2.302 9.456 -13.278 1.00 0.00 C ATOM 1350 C LEU A 88 3.416 10.452 -13.584 1.00 0.00 C ATOM 1351 O LEU A 88 3.207 11.433 -14.297 1.00 0.00 O ATOM 1352 CB LEU A 88 1.968 9.490 -11.786 1.00 0.00 C ATOM 1353 CG LEU A 88 1.051 8.376 -11.279 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.805 8.525 -9.786 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.266 8.380 -12.042 1.00 0.00 C ATOM 0 H LEU A 88 2.510 7.391 -12.974 1.00 0.00 H new ATOM 0 HA LEU A 88 1.418 9.741 -13.848 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.901 9.449 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.501 10.449 -11.560 1.00 0.00 H new ATOM 0 HG LEU A 88 1.544 7.419 -11.451 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.150 7.724 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.755 8.471 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.333 9.488 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.906 7.581 -11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.764 9.339 -11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.072 8.223 -13.103 1.00 0.00 H new