USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 89 GLN :FLIP amide:sc= -7.68! C(o=-9.3!,f=-7.1!) USER MOD Set 1.2: A 90 SER OG : rot -125:sc= 0.607 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.911 X(o=-0.91,f=-0.68) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 0.592 (180deg=0.341) USER MOD Single : A 25 SER OG : rot 51:sc= 1.19 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 31 ASN : amide:sc= 0.0562 K(o=0.056,f=-2.5!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.01 USER MOD Single : A 55 SER OG : rot 78:sc= 0.914 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 68 ASN :FLIP amide:sc=-0.00143! F(o=-1.9,f=-0.0014!) USER MOD Single : A 71 ASN : amide:sc= -0.303 K(o=-0.3,f=-4.2!) USER MOD Single : A 74 ASN : amide:sc= -0.597 K(o=-0.6,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.271 USER MOD Single : A 77 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-2.6!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.628 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.778 F(o=-1.5,f=-0.78) USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 102 TYR OH : rot 52:sc= 0.373 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.567 10.772 -8.299 1.00 0.00 N ATOM 165 CA GLU A 15 -6.864 9.435 -8.786 1.00 0.00 C ATOM 166 C GLU A 15 -5.753 8.464 -8.382 1.00 0.00 C ATOM 167 O GLU A 15 -4.730 8.877 -7.838 1.00 0.00 O ATOM 168 CB GLU A 15 -7.067 9.436 -10.302 1.00 0.00 C ATOM 169 CG GLU A 15 -8.532 9.173 -10.659 1.00 0.00 C ATOM 170 CD GLU A 15 -8.698 8.955 -12.165 1.00 0.00 C ATOM 171 OE1 GLU A 15 -7.951 9.615 -12.919 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.569 8.135 -12.526 1.00 0.00 O ATOM 0 HA GLU A 15 -7.795 9.101 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.755 10.396 -10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.435 8.673 -10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.890 8.296 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.145 10.016 -10.340 1.00 0.00 H new ATOM 179 N PRO A 16 -5.998 7.158 -8.671 1.00 0.00 N ATOM 180 CA PRO A 16 -5.030 6.125 -8.344 1.00 0.00 C ATOM 181 C PRO A 16 -3.847 6.154 -9.315 1.00 0.00 C ATOM 182 O PRO A 16 -4.001 6.534 -10.474 1.00 0.00 O ATOM 183 CB PRO A 16 -5.811 4.822 -8.399 1.00 0.00 C ATOM 184 CG PRO A 16 -7.065 5.122 -9.204 1.00 0.00 C ATOM 185 CD PRO A 16 -7.198 6.632 -9.315 1.00 0.00 C ATOM 0 HA PRO A 16 -4.583 6.265 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.224 4.034 -8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.064 4.475 -7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.000 4.671 -10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.942 4.696 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.260 6.949 -10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.101 6.987 -8.820 1.00 0.00 H new ATOM 193 N ARG A 17 -2.694 5.748 -8.804 1.00 0.00 N ATOM 194 CA ARG A 17 -1.486 5.723 -9.612 1.00 0.00 C ATOM 195 C ARG A 17 -0.727 4.413 -9.390 1.00 0.00 C ATOM 196 O ARG A 17 -0.593 3.953 -8.258 1.00 0.00 O ATOM 197 CB ARG A 17 -0.570 6.900 -9.269 1.00 0.00 C ATOM 198 CG ARG A 17 -0.092 6.817 -7.818 1.00 0.00 C ATOM 199 CD ARG A 17 -0.305 8.148 -7.094 1.00 0.00 C ATOM 200 NE ARG A 17 0.389 9.236 -7.819 1.00 0.00 N ATOM 201 CZ ARG A 17 0.052 10.530 -7.733 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.970 10.906 -6.953 1.00 0.00 N ATOM 203 NH2 ARG A 17 0.738 11.448 -8.428 1.00 0.00 N ATOM 0 H ARG A 17 -2.570 5.434 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.784 5.802 -10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.290 6.904 -9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.102 7.838 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.632 6.026 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.965 6.551 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.370 8.368 -7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.073 8.081 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 17 1.173 8.985 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.492 10.207 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.226 11.891 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.516 11.161 -9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.482 12.433 -8.363 1.00 0.00 H new ATOM 217 N LYS A 18 -0.250 3.850 -10.491 1.00 0.00 N ATOM 218 CA LYS A 18 0.492 2.602 -10.431 1.00 0.00 C ATOM 219 C LYS A 18 1.885 2.869 -9.858 1.00 0.00 C ATOM 220 O LYS A 18 2.719 3.496 -10.510 1.00 0.00 O ATOM 221 CB LYS A 18 0.511 1.924 -11.803 1.00 0.00 C ATOM 222 CG LYS A 18 0.527 0.401 -11.661 1.00 0.00 C ATOM 223 CD LYS A 18 0.820 -0.272 -13.004 1.00 0.00 C ATOM 224 CE LYS A 18 -0.182 -1.393 -13.286 1.00 0.00 C ATOM 225 NZ LYS A 18 -1.232 -0.927 -14.219 1.00 0.00 N ATOM 0 H LYS A 18 -0.363 4.235 -11.429 1.00 0.00 H new ATOM 0 HA LYS A 18 0.000 1.898 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.364 2.230 -12.376 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.388 2.250 -12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.282 0.108 -10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.435 0.058 -11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.777 0.468 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.832 -0.677 -12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.335 -2.253 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.637 -1.725 -12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.904 -1.700 -14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.737 -0.121 -13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.794 -0.632 -15.115 1.00 0.00 H new ATOM 239 N ILE A 19 2.095 2.380 -8.645 1.00 0.00 N ATOM 240 CA ILE A 19 3.373 2.558 -7.977 1.00 0.00 C ATOM 241 C ILE A 19 4.057 1.199 -7.824 1.00 0.00 C ATOM 242 O ILE A 19 3.603 0.354 -7.053 1.00 0.00 O ATOM 243 CB ILE A 19 3.186 3.305 -6.654 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.473 4.641 -6.875 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.523 3.482 -5.931 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.462 4.913 -5.759 1.00 0.00 C ATOM 0 H ILE A 19 1.401 1.860 -8.107 1.00 0.00 H new ATOM 0 HA ILE A 19 4.034 3.182 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 19 2.548 2.702 -6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.206 5.447 -6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.963 4.630 -7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.362 4.016 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.956 2.504 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.205 4.053 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.969 5.868 -5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.717 4.118 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.979 4.947 -4.800 1.00 0.00 H new ATOM 258 N ILE A 20 5.139 1.029 -8.570 1.00 0.00 N ATOM 259 CA ILE A 20 5.890 -0.214 -8.527 1.00 0.00 C ATOM 260 C ILE A 20 7.145 -0.017 -7.673 1.00 0.00 C ATOM 261 O ILE A 20 8.099 0.629 -8.105 1.00 0.00 O ATOM 262 CB ILE A 20 6.183 -0.712 -9.944 1.00 0.00 C ATOM 263 CG1 ILE A 20 4.949 -1.378 -10.556 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.401 -1.638 -9.959 1.00 0.00 C ATOM 265 CD1 ILE A 20 4.774 -0.968 -12.019 1.00 0.00 C ATOM 0 H ILE A 20 5.513 1.732 -9.208 1.00 0.00 H new ATOM 0 HA ILE A 20 5.301 -0.999 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 20 6.426 0.149 -10.566 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.044 -2.462 -10.487 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.061 -1.099 -9.988 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.587 -1.978 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.273 -1.098 -9.591 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.211 -2.499 -9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.890 -1.455 -12.430 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.655 0.114 -12.082 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.653 -1.270 -12.589 1.00 0.00 H new ATOM 277 N LEU A 21 7.103 -0.585 -6.477 1.00 0.00 N ATOM 278 CA LEU A 21 8.224 -0.480 -5.559 1.00 0.00 C ATOM 279 C LEU A 21 9.108 -1.722 -5.696 1.00 0.00 C ATOM 280 O LEU A 21 8.605 -2.828 -5.886 1.00 0.00 O ATOM 281 CB LEU A 21 7.728 -0.232 -4.133 1.00 0.00 C ATOM 282 CG LEU A 21 7.110 1.142 -3.868 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.793 2.222 -4.708 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.596 1.114 -4.091 1.00 0.00 C ATOM 0 H LEU A 21 6.310 -1.120 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 21 8.843 0.381 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.988 -0.994 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.565 -0.370 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 21 7.277 1.396 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.334 3.189 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.853 2.262 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.679 1.986 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.181 2.103 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.385 0.829 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.142 0.390 -3.414 1.00 0.00 H new ATOM 296 N HIS A 22 10.409 -1.497 -5.593 1.00 0.00 N ATOM 297 CA HIS A 22 11.367 -2.584 -5.703 1.00 0.00 C ATOM 298 C HIS A 22 11.900 -2.941 -4.314 1.00 0.00 C ATOM 299 O HIS A 22 12.787 -2.266 -3.793 1.00 0.00 O ATOM 300 CB HIS A 22 12.480 -2.230 -6.692 1.00 0.00 C ATOM 301 CG HIS A 22 11.983 -1.858 -8.068 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.569 -2.329 -9.230 1.00 0.00 N ATOM 303 CD2 HIS A 22 10.949 -1.057 -8.456 1.00 0.00 C ATOM 304 CE1 HIS A 22 11.910 -1.827 -10.264 1.00 0.00 C ATOM 305 NE2 HIS A 22 10.907 -1.038 -9.782 1.00 0.00 N ATOM 0 H HIS A 22 10.823 -0.578 -5.435 1.00 0.00 H new ATOM 0 HA HIS A 22 10.873 -3.469 -6.103 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.059 -1.399 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.158 -3.079 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.278 -0.528 -7.795 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.129 -2.010 -11.306 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.235 -0.519 -10.348 1.00 0.00 H new ATOM 313 N LYS A 23 11.337 -4.001 -3.753 1.00 0.00 N ATOM 314 CA LYS A 23 11.744 -4.455 -2.434 1.00 0.00 C ATOM 315 C LYS A 23 13.263 -4.328 -2.302 1.00 0.00 C ATOM 316 O LYS A 23 14.009 -4.958 -3.049 1.00 0.00 O ATOM 317 CB LYS A 23 11.220 -5.868 -2.169 1.00 0.00 C ATOM 318 CG LYS A 23 9.831 -5.826 -1.528 1.00 0.00 C ATOM 319 CD LYS A 23 9.454 -7.191 -0.948 1.00 0.00 C ATOM 320 CE LYS A 23 8.065 -7.623 -1.423 1.00 0.00 C ATOM 321 NZ LYS A 23 7.075 -7.475 -0.334 1.00 0.00 N ATOM 0 H LYS A 23 10.602 -4.559 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 23 11.303 -3.826 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.176 -6.425 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.911 -6.399 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.813 -5.074 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.092 -5.526 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.193 -7.934 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.472 -7.145 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.764 -7.021 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.095 -8.660 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.282 -8.129 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.526 -7.694 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.720 -6.498 -0.318 1.00 0.00 H new ATOM 335 N GLY A 24 13.675 -3.508 -1.346 1.00 0.00 N ATOM 336 CA GLY A 24 15.092 -3.290 -1.107 1.00 0.00 C ATOM 337 C GLY A 24 15.650 -4.331 -0.135 1.00 0.00 C ATOM 338 O GLY A 24 16.760 -4.828 -0.322 1.00 0.00 O ATOM 0 H GLY A 24 13.053 -2.987 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.636 -3.340 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.247 -2.290 -0.703 1.00 0.00 H new ATOM 342 N SER A 25 14.856 -4.630 0.882 1.00 0.00 N ATOM 343 CA SER A 25 15.257 -5.603 1.884 1.00 0.00 C ATOM 344 C SER A 25 14.124 -5.815 2.891 1.00 0.00 C ATOM 345 O SER A 25 13.630 -6.930 3.049 1.00 0.00 O ATOM 346 CB SER A 25 16.531 -5.159 2.605 1.00 0.00 C ATOM 347 OG SER A 25 17.702 -5.705 2.004 1.00 0.00 O ATOM 0 H SER A 25 13.936 -4.216 1.034 1.00 0.00 H new ATOM 0 HA SER A 25 15.468 -6.546 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.592 -4.071 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.482 -5.467 3.650 1.00 0.00 H new ATOM 0 HG SER A 25 17.687 -5.530 1.040 1.00 0.00 H new ATOM 353 N THR A 26 13.746 -4.727 3.546 1.00 0.00 N ATOM 354 CA THR A 26 12.681 -4.779 4.533 1.00 0.00 C ATOM 355 C THR A 26 11.338 -5.054 3.854 1.00 0.00 C ATOM 356 O THR A 26 10.636 -5.997 4.217 1.00 0.00 O ATOM 357 CB THR A 26 12.705 -3.470 5.324 1.00 0.00 C ATOM 358 OG1 THR A 26 12.539 -2.461 4.332 1.00 0.00 O ATOM 359 CG2 THR A 26 14.080 -3.176 5.928 1.00 0.00 C ATOM 0 H THR A 26 14.159 -3.804 3.412 1.00 0.00 H new ATOM 0 HA THR A 26 12.830 -5.601 5.233 1.00 0.00 H new ATOM 0 HB THR A 26 11.961 -3.513 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.541 -1.579 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.042 -2.236 6.479 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.360 -3.983 6.606 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.819 -3.100 5.130 1.00 0.00 H new ATOM 367 N GLY A 27 11.021 -4.215 2.879 1.00 0.00 N ATOM 368 CA GLY A 27 9.774 -4.355 2.146 1.00 0.00 C ATOM 369 C GLY A 27 9.681 -3.325 1.019 1.00 0.00 C ATOM 370 O GLY A 27 10.644 -3.118 0.282 1.00 0.00 O ATOM 0 H GLY A 27 11.606 -3.435 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.703 -5.360 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.932 -4.231 2.827 1.00 0.00 H new ATOM 374 N LEU A 28 8.514 -2.706 0.921 1.00 0.00 N ATOM 375 CA LEU A 28 8.283 -1.703 -0.104 1.00 0.00 C ATOM 376 C LEU A 28 8.669 -0.326 0.440 1.00 0.00 C ATOM 377 O LEU A 28 8.721 0.649 -0.308 1.00 0.00 O ATOM 378 CB LEU A 28 6.843 -1.780 -0.616 1.00 0.00 C ATOM 379 CG LEU A 28 6.510 -2.983 -1.500 1.00 0.00 C ATOM 380 CD1 LEU A 28 7.749 -3.469 -2.255 1.00 0.00 C ATOM 381 CD2 LEU A 28 5.861 -4.102 -0.683 1.00 0.00 C ATOM 0 H LEU A 28 7.718 -2.880 1.535 1.00 0.00 H new ATOM 0 HA LEU A 28 8.915 -1.893 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.173 -1.789 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.629 -0.871 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 28 5.782 -2.666 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.484 -4.325 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.128 -2.666 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.518 -3.763 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.635 -4.945 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.546 -4.424 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.939 -3.735 -0.231 1.00 0.00 H new ATOM 393 N GLY A 29 8.929 -0.290 1.739 1.00 0.00 N ATOM 394 CA GLY A 29 9.308 0.951 2.392 1.00 0.00 C ATOM 395 C GLY A 29 8.075 1.789 2.735 1.00 0.00 C ATOM 396 O GLY A 29 8.112 3.016 2.654 1.00 0.00 O ATOM 0 H GLY A 29 8.885 -1.101 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.867 0.731 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.970 1.521 1.741 1.00 0.00 H new ATOM 400 N PHE A 30 7.012 1.093 3.112 1.00 0.00 N ATOM 401 CA PHE A 30 5.770 1.758 3.467 1.00 0.00 C ATOM 402 C PHE A 30 4.857 0.824 4.264 1.00 0.00 C ATOM 403 O PHE A 30 4.847 -0.384 4.035 1.00 0.00 O ATOM 404 CB PHE A 30 5.075 2.137 2.158 1.00 0.00 C ATOM 405 CG PHE A 30 4.408 0.960 1.444 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.343 0.334 2.014 1.00 0.00 C ATOM 407 CD2 PHE A 30 4.879 0.540 0.240 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.724 -0.759 1.351 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.260 -0.553 -0.423 1.00 0.00 C ATOM 410 CZ PHE A 30 3.196 -1.179 0.147 1.00 0.00 C ATOM 0 H PHE A 30 6.986 0.076 3.179 1.00 0.00 H new ATOM 0 HA PHE A 30 5.979 2.632 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.322 2.897 2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.807 2.588 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.968 0.668 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.724 1.038 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.879 -1.256 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.634 -0.887 -1.380 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.726 -2.010 -0.357 1.00 0.00 H new ATOM 420 N ASN A 31 4.111 1.420 5.183 1.00 0.00 N ATOM 421 CA ASN A 31 3.197 0.656 6.015 1.00 0.00 C ATOM 422 C ASN A 31 1.798 0.694 5.396 1.00 0.00 C ATOM 423 O ASN A 31 1.552 1.448 4.455 1.00 0.00 O ATOM 424 CB ASN A 31 3.107 1.249 7.423 1.00 0.00 C ATOM 425 CG ASN A 31 3.209 0.153 8.486 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.334 -0.684 8.637 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.321 0.206 9.213 1.00 0.00 N ATOM 0 H ASN A 31 4.121 2.423 5.370 1.00 0.00 H new ATOM 0 HA ASN A 31 3.572 -0.366 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.906 1.976 7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.164 1.784 7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.482 -0.481 9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.013 0.934 9.034 1.00 0.00 H new ATOM 434 N ILE A 32 0.918 -0.127 5.949 1.00 0.00 N ATOM 435 CA ILE A 32 -0.449 -0.197 5.463 1.00 0.00 C ATOM 436 C ILE A 32 -1.410 -0.204 6.654 1.00 0.00 C ATOM 437 O ILE A 32 -1.055 -0.662 7.739 1.00 0.00 O ATOM 438 CB ILE A 32 -0.624 -1.393 4.525 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.224 -2.580 4.985 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.325 -1.002 3.076 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.488 -3.904 4.706 1.00 0.00 C ATOM 0 H ILE A 32 1.125 -0.750 6.730 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.686 0.684 4.867 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.667 -1.708 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.185 -2.565 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.431 -2.492 6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.457 -1.870 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.007 -0.211 2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.702 -0.646 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.137 -4.731 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.438 -3.926 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.671 -4.000 3.636 1.00 0.00 H new ATOM 453 N VAL A 33 -2.607 0.310 6.411 1.00 0.00 N ATOM 454 CA VAL A 33 -3.620 0.369 7.450 1.00 0.00 C ATOM 455 C VAL A 33 -4.983 0.021 6.848 1.00 0.00 C ATOM 456 O VAL A 33 -5.103 -0.154 5.636 1.00 0.00 O ATOM 457 CB VAL A 33 -3.599 1.741 8.126 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.174 2.135 8.521 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.232 2.805 7.227 1.00 0.00 C ATOM 0 H VAL A 33 -2.897 0.689 5.510 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.410 -0.365 8.228 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.194 1.675 9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.187 3.114 9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.772 1.397 9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.547 2.175 7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.204 3.771 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.676 2.868 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.267 2.535 7.017 1.00 0.00 H new ATOM 469 N GLY A 34 -5.975 -0.070 7.721 1.00 0.00 N ATOM 470 CA GLY A 34 -7.324 -0.393 7.290 1.00 0.00 C ATOM 471 C GLY A 34 -7.688 -1.833 7.661 1.00 0.00 C ATOM 472 O GLY A 34 -6.976 -2.478 8.429 1.00 0.00 O ATOM 0 H GLY A 34 -5.871 0.074 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.032 0.295 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.407 -0.259 6.211 1.00 0.00 H new ATOM 476 N GLY A 35 -8.795 -2.294 7.097 1.00 0.00 N ATOM 477 CA GLY A 35 -9.261 -3.645 7.359 1.00 0.00 C ATOM 478 C GLY A 35 -10.477 -3.634 8.288 1.00 0.00 C ATOM 479 O GLY A 35 -10.645 -4.537 9.106 1.00 0.00 O ATOM 0 H GLY A 35 -9.382 -1.756 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.521 -4.133 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.459 -4.229 7.810 1.00 0.00 H new ATOM 483 N GLU A 36 -11.294 -2.603 8.130 1.00 0.00 N ATOM 484 CA GLU A 36 -12.489 -2.464 8.944 1.00 0.00 C ATOM 485 C GLU A 36 -13.715 -2.248 8.054 1.00 0.00 C ATOM 486 O GLU A 36 -13.765 -1.292 7.281 1.00 0.00 O ATOM 487 CB GLU A 36 -12.336 -1.323 9.952 1.00 0.00 C ATOM 488 CG GLU A 36 -11.230 -1.630 10.963 1.00 0.00 C ATOM 489 CD GLU A 36 -11.699 -1.348 12.392 1.00 0.00 C ATOM 490 OE1 GLU A 36 -11.878 -0.151 12.704 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.867 -2.335 13.140 1.00 0.00 O ATOM 0 H GLU A 36 -11.152 -1.856 7.450 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.631 -3.386 9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.106 -0.397 9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.279 -1.166 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.931 -2.674 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.350 -1.026 10.739 1.00 0.00 H new ATOM 498 N ASP A 37 -14.674 -3.152 8.193 1.00 0.00 N ATOM 499 CA ASP A 37 -15.896 -3.072 7.411 1.00 0.00 C ATOM 500 C ASP A 37 -15.546 -2.760 5.955 1.00 0.00 C ATOM 501 O ASP A 37 -16.248 -1.997 5.293 1.00 0.00 O ATOM 502 CB ASP A 37 -16.808 -1.957 7.927 1.00 0.00 C ATOM 503 CG ASP A 37 -17.630 -2.316 9.166 1.00 0.00 C ATOM 504 OD1 ASP A 37 -17.863 -3.529 9.361 1.00 0.00 O ATOM 505 OD2 ASP A 37 -18.007 -1.370 9.891 1.00 0.00 O ATOM 0 H ASP A 37 -14.629 -3.943 8.835 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.412 -4.028 7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.196 -1.084 8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.490 -1.667 7.128 1.00 0.00 H new ATOM 510 N GLY A 38 -14.460 -3.366 5.498 1.00 0.00 N ATOM 511 CA GLY A 38 -14.008 -3.163 4.132 1.00 0.00 C ATOM 512 C GLY A 38 -14.091 -1.686 3.741 1.00 0.00 C ATOM 513 O GLY A 38 -14.807 -1.327 2.807 1.00 0.00 O ATOM 0 H GLY A 38 -13.880 -3.998 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.981 -3.513 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.617 -3.758 3.451 1.00 0.00 H new ATOM 517 N GLU A 39 -13.350 -0.870 4.476 1.00 0.00 N ATOM 518 CA GLU A 39 -13.331 0.560 4.217 1.00 0.00 C ATOM 519 C GLU A 39 -12.244 0.901 3.196 1.00 0.00 C ATOM 520 O GLU A 39 -12.382 1.856 2.433 1.00 0.00 O ATOM 521 CB GLU A 39 -13.131 1.349 5.513 1.00 0.00 C ATOM 522 CG GLU A 39 -11.684 1.248 5.999 1.00 0.00 C ATOM 523 CD GLU A 39 -11.628 1.021 7.511 1.00 0.00 C ATOM 524 OE1 GLU A 39 -12.648 1.321 8.168 1.00 0.00 O ATOM 525 OE2 GLU A 39 -10.566 0.553 7.976 1.00 0.00 O ATOM 0 H GLU A 39 -12.759 -1.171 5.250 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.297 0.846 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.391 2.395 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.804 0.969 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.181 0.429 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.147 2.162 5.745 1.00 0.00 H new ATOM 532 N GLY A 40 -11.189 0.100 3.213 1.00 0.00 N ATOM 533 CA GLY A 40 -10.079 0.305 2.297 1.00 0.00 C ATOM 534 C GLY A 40 -8.740 0.222 3.032 1.00 0.00 C ATOM 535 O GLY A 40 -8.704 0.143 4.259 1.00 0.00 O ATOM 0 H GLY A 40 -11.079 -0.692 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.111 -0.445 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.174 1.279 1.816 1.00 0.00 H new ATOM 539 N ILE A 41 -7.670 0.243 2.250 1.00 0.00 N ATOM 540 CA ILE A 41 -6.332 0.171 2.811 1.00 0.00 C ATOM 541 C ILE A 41 -5.586 1.472 2.509 1.00 0.00 C ATOM 542 O ILE A 41 -5.677 2.002 1.403 1.00 0.00 O ATOM 543 CB ILE A 41 -5.608 -1.082 2.312 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.377 -2.348 2.695 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.162 -1.116 2.811 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.109 -2.732 4.152 1.00 0.00 C ATOM 0 H ILE A 41 -7.703 0.309 1.233 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.379 0.074 3.896 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.571 -1.044 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.445 -2.188 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.084 -3.168 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.671 -2.016 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.630 -0.237 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.153 -1.119 3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.667 -3.635 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.043 -2.915 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.425 -1.920 4.806 1.00 0.00 H new ATOM 558 N PHE A 42 -4.866 1.950 3.513 1.00 0.00 N ATOM 559 CA PHE A 42 -4.105 3.180 3.369 1.00 0.00 C ATOM 560 C PHE A 42 -2.688 3.016 3.923 1.00 0.00 C ATOM 561 O PHE A 42 -2.420 2.090 4.687 1.00 0.00 O ATOM 562 CB PHE A 42 -4.835 4.255 4.176 1.00 0.00 C ATOM 563 CG PHE A 42 -6.219 4.611 3.630 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.300 3.860 3.974 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.369 5.677 2.800 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.584 4.190 3.467 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.654 6.007 2.293 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.734 5.257 2.637 1.00 0.00 C ATOM 0 H PHE A 42 -4.793 1.508 4.429 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.025 3.447 2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.939 3.914 5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.222 5.156 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.181 3.013 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.511 6.273 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.442 3.594 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.773 6.854 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.711 5.508 2.251 1.00 0.00 H new ATOM 578 N VAL A 43 -1.819 3.930 3.517 1.00 0.00 N ATOM 579 CA VAL A 43 -0.437 3.899 3.964 1.00 0.00 C ATOM 580 C VAL A 43 -0.338 4.545 5.347 1.00 0.00 C ATOM 581 O VAL A 43 -0.821 5.658 5.552 1.00 0.00 O ATOM 582 CB VAL A 43 0.464 4.569 2.925 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.846 4.870 3.510 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.578 3.711 1.663 1.00 0.00 C ATOM 0 H VAL A 43 -2.045 4.697 2.883 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.090 2.870 4.061 1.00 0.00 H new ATOM 0 HB VAL A 43 0.005 5.517 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.467 5.346 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.742 5.538 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.315 3.940 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.224 4.210 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.003 2.741 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.412 3.570 1.228 1.00 0.00 H new ATOM 594 N SER A 44 0.292 3.821 6.260 1.00 0.00 N ATOM 595 CA SER A 44 0.461 4.310 7.618 1.00 0.00 C ATOM 596 C SER A 44 1.743 5.138 7.720 1.00 0.00 C ATOM 597 O SER A 44 1.813 6.088 8.499 1.00 0.00 O ATOM 598 CB SER A 44 0.494 3.154 8.620 1.00 0.00 C ATOM 599 OG SER A 44 1.757 3.049 9.272 1.00 0.00 O ATOM 0 H SER A 44 0.692 2.899 6.086 1.00 0.00 H new ATOM 0 HA SER A 44 -0.393 4.942 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.288 3.298 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.274 2.220 8.103 1.00 0.00 H new ATOM 0 HG SER A 44 1.737 2.301 9.905 1.00 0.00 H new ATOM 605 N PHE A 45 2.727 4.748 6.923 1.00 0.00 N ATOM 606 CA PHE A 45 4.003 5.443 6.914 1.00 0.00 C ATOM 607 C PHE A 45 4.863 4.994 5.731 1.00 0.00 C ATOM 608 O PHE A 45 4.573 3.981 5.096 1.00 0.00 O ATOM 609 CB PHE A 45 4.719 5.080 8.216 1.00 0.00 C ATOM 610 CG PHE A 45 6.225 5.348 8.194 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.692 6.615 8.356 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.097 4.320 8.012 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.090 6.865 8.336 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.494 4.570 7.992 1.00 0.00 C ATOM 615 CZ PHE A 45 8.962 5.837 8.154 1.00 0.00 C ATOM 0 H PHE A 45 2.666 3.959 6.279 1.00 0.00 H new ATOM 0 HA PHE A 45 3.841 6.517 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.272 5.645 9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.551 4.024 8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.000 7.431 8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.726 3.314 7.883 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.461 7.871 8.465 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.186 3.754 7.848 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.025 6.027 8.138 1.00 0.00 H new ATOM 625 N ILE A 46 5.905 5.770 5.470 1.00 0.00 N ATOM 626 CA ILE A 46 6.809 5.465 4.374 1.00 0.00 C ATOM 627 C ILE A 46 8.251 5.502 4.884 1.00 0.00 C ATOM 628 O ILE A 46 8.736 6.548 5.313 1.00 0.00 O ATOM 629 CB ILE A 46 6.551 6.400 3.191 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.127 6.231 2.658 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.600 6.199 2.095 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.128 5.515 1.306 1.00 0.00 C ATOM 0 H ILE A 46 6.143 6.609 5.999 1.00 0.00 H new ATOM 0 HA ILE A 46 6.628 4.457 3.999 1.00 0.00 H new ATOM 0 HB ILE A 46 6.643 7.428 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.532 5.663 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.655 7.208 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.394 6.875 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.591 6.409 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.563 5.169 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.103 5.408 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.703 6.097 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.578 4.529 1.417 1.00 0.00 H new ATOM 644 N LEU A 47 8.897 4.347 4.819 1.00 0.00 N ATOM 645 CA LEU A 47 10.275 4.233 5.269 1.00 0.00 C ATOM 646 C LEU A 47 11.131 5.271 4.540 1.00 0.00 C ATOM 647 O LEU A 47 10.819 5.661 3.416 1.00 0.00 O ATOM 648 CB LEU A 47 10.775 2.797 5.104 1.00 0.00 C ATOM 649 CG LEU A 47 12.222 2.538 5.529 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.279 1.898 6.918 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.961 1.702 4.482 1.00 0.00 C ATOM 0 H LEU A 47 8.492 3.482 4.462 1.00 0.00 H new ATOM 0 HA LEU A 47 10.348 4.450 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.125 2.138 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.669 2.514 4.057 1.00 0.00 H new ATOM 0 HG LEU A 47 12.735 3.497 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.318 1.724 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.815 2.565 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.744 0.949 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.987 1.533 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.457 0.744 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.967 2.233 3.530 1.00 0.00 H new ATOM 663 N ALA A 48 12.195 5.688 5.210 1.00 0.00 N ATOM 664 CA ALA A 48 13.099 6.673 4.641 1.00 0.00 C ATOM 665 C ALA A 48 14.294 5.956 4.009 1.00 0.00 C ATOM 666 O ALA A 48 15.142 5.413 4.715 1.00 0.00 O ATOM 667 CB ALA A 48 13.522 7.666 5.726 1.00 0.00 C ATOM 0 H ALA A 48 12.451 5.362 6.142 1.00 0.00 H new ATOM 0 HA ALA A 48 12.602 7.242 3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.200 8.405 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.640 8.169 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.027 7.132 6.531 1.00 0.00 H new ATOM 673 N GLY A 49 14.324 5.979 2.684 1.00 0.00 N ATOM 674 CA GLY A 49 15.401 5.338 1.949 1.00 0.00 C ATOM 675 C GLY A 49 14.893 4.108 1.193 1.00 0.00 C ATOM 676 O GLY A 49 15.597 3.561 0.346 1.00 0.00 O ATOM 0 H GLY A 49 13.620 6.431 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.838 6.047 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.192 5.044 2.639 1.00 0.00 H new ATOM 680 N GLY A 50 13.674 3.709 1.527 1.00 0.00 N ATOM 681 CA GLY A 50 13.064 2.554 0.891 1.00 0.00 C ATOM 682 C GLY A 50 12.687 2.863 -0.559 1.00 0.00 C ATOM 683 O GLY A 50 12.998 3.937 -1.070 1.00 0.00 O ATOM 0 H GLY A 50 13.093 4.165 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.755 1.711 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.175 2.256 1.446 1.00 0.00 H new ATOM 687 N PRO A 51 12.005 1.875 -1.198 1.00 0.00 N ATOM 688 CA PRO A 51 11.582 2.030 -2.580 1.00 0.00 C ATOM 689 C PRO A 51 10.382 2.974 -2.683 1.00 0.00 C ATOM 690 O PRO A 51 10.246 3.706 -3.662 1.00 0.00 O ATOM 691 CB PRO A 51 11.272 0.621 -3.057 1.00 0.00 C ATOM 692 CG PRO A 51 11.085 -0.214 -1.800 1.00 0.00 C ATOM 693 CD PRO A 51 11.619 0.589 -0.624 1.00 0.00 C ATOM 0 HA PRO A 51 12.348 2.488 -3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.373 0.606 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.084 0.229 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.032 -0.452 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.617 -1.161 -1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.860 0.712 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.470 0.092 -0.159 1.00 0.00 H new ATOM 701 N ALA A 52 9.541 2.925 -1.660 1.00 0.00 N ATOM 702 CA ALA A 52 8.357 3.766 -1.623 1.00 0.00 C ATOM 703 C ALA A 52 8.779 5.225 -1.434 1.00 0.00 C ATOM 704 O ALA A 52 8.077 6.138 -1.866 1.00 0.00 O ATOM 705 CB ALA A 52 7.421 3.282 -0.515 1.00 0.00 C ATOM 0 H ALA A 52 9.656 2.316 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 52 7.810 3.700 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.533 3.913 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.127 2.251 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.935 3.336 0.445 1.00 0.00 H new ATOM 711 N ASP A 53 9.923 5.398 -0.789 1.00 0.00 N ATOM 712 CA ASP A 53 10.446 6.730 -0.538 1.00 0.00 C ATOM 713 C ASP A 53 11.348 7.147 -1.701 1.00 0.00 C ATOM 714 O ASP A 53 11.107 8.169 -2.342 1.00 0.00 O ATOM 715 CB ASP A 53 11.283 6.760 0.743 1.00 0.00 C ATOM 716 CG ASP A 53 12.315 7.887 0.814 1.00 0.00 C ATOM 717 OD1 ASP A 53 13.420 7.681 0.267 1.00 0.00 O ATOM 718 OD2 ASP A 53 11.976 8.930 1.415 1.00 0.00 O ATOM 0 H ASP A 53 10.502 4.638 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 53 9.601 7.410 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.611 6.849 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.801 5.806 0.843 1.00 0.00 H new ATOM 723 N LEU A 54 12.367 6.334 -1.940 1.00 0.00 N ATOM 724 CA LEU A 54 13.305 6.606 -3.015 1.00 0.00 C ATOM 725 C LEU A 54 12.530 6.905 -4.299 1.00 0.00 C ATOM 726 O LEU A 54 12.707 7.962 -4.904 1.00 0.00 O ATOM 727 CB LEU A 54 14.307 5.458 -3.155 1.00 0.00 C ATOM 728 CG LEU A 54 15.365 5.353 -2.054 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.454 4.349 -2.435 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.946 6.729 -1.719 1.00 0.00 C ATOM 0 H LEU A 54 12.563 5.487 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 54 13.899 7.491 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.752 4.520 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.817 5.562 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 54 14.883 4.978 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.193 4.293 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.007 3.366 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.939 4.671 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.695 6.626 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.409 7.155 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.148 7.387 -1.375 1.00 0.00 H new ATOM 742 N SER A 55 11.686 5.956 -4.678 1.00 0.00 N ATOM 743 CA SER A 55 10.883 6.105 -5.880 1.00 0.00 C ATOM 744 C SER A 55 10.367 7.541 -5.990 1.00 0.00 C ATOM 745 O SER A 55 10.506 8.176 -7.034 1.00 0.00 O ATOM 746 CB SER A 55 9.713 5.119 -5.886 1.00 0.00 C ATOM 747 OG SER A 55 10.151 3.772 -6.049 1.00 0.00 O ATOM 0 H SER A 55 11.541 5.081 -4.174 1.00 0.00 H new ATOM 0 HA SER A 55 11.513 5.885 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.158 5.209 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.026 5.377 -6.692 1.00 0.00 H new ATOM 0 HG SER A 55 10.507 3.439 -5.199 1.00 0.00 H new ATOM 753 N GLY A 56 9.782 8.011 -4.898 1.00 0.00 N ATOM 754 CA GLY A 56 9.244 9.360 -4.859 1.00 0.00 C ATOM 755 C GLY A 56 7.753 9.366 -5.201 1.00 0.00 C ATOM 756 O GLY A 56 7.071 10.370 -5.001 1.00 0.00 O ATOM 0 H GLY A 56 9.669 7.482 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.395 9.787 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.785 9.992 -5.564 1.00 0.00 H new ATOM 760 N GLU A 57 7.291 8.234 -5.711 1.00 0.00 N ATOM 761 CA GLU A 57 5.893 8.097 -6.083 1.00 0.00 C ATOM 762 C GLU A 57 5.025 7.929 -4.835 1.00 0.00 C ATOM 763 O GLU A 57 4.324 8.856 -4.432 1.00 0.00 O ATOM 764 CB GLU A 57 5.696 6.927 -7.050 1.00 0.00 C ATOM 765 CG GLU A 57 6.414 7.184 -8.376 1.00 0.00 C ATOM 766 CD GLU A 57 7.768 6.471 -8.413 1.00 0.00 C ATOM 767 OE1 GLU A 57 7.750 5.223 -8.471 1.00 0.00 O ATOM 768 OE2 GLU A 57 8.789 7.191 -8.383 1.00 0.00 O ATOM 0 H GLU A 57 7.860 7.403 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 57 5.583 9.007 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.075 6.010 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.632 6.776 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.794 6.838 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.559 8.256 -8.514 1.00 0.00 H new ATOM 775 N LEU A 58 5.101 6.739 -4.256 1.00 0.00 N ATOM 776 CA LEU A 58 4.331 6.438 -3.061 1.00 0.00 C ATOM 777 C LEU A 58 4.554 7.541 -2.025 1.00 0.00 C ATOM 778 O LEU A 58 5.648 8.095 -1.927 1.00 0.00 O ATOM 779 CB LEU A 58 4.664 5.036 -2.548 1.00 0.00 C ATOM 780 CG LEU A 58 3.469 4.144 -2.206 1.00 0.00 C ATOM 781 CD1 LEU A 58 3.930 2.760 -1.747 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.560 4.817 -1.176 1.00 0.00 C ATOM 0 H LEU A 58 5.684 5.972 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 58 3.265 6.424 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.266 4.529 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.285 5.135 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 58 2.879 4.002 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.060 2.147 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.503 2.285 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.555 2.860 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.718 4.162 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.124 5.010 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.189 5.759 -1.579 1.00 0.00 H new ATOM 794 N ARG A 59 3.498 7.828 -1.276 1.00 0.00 N ATOM 795 CA ARG A 59 3.565 8.855 -0.251 1.00 0.00 C ATOM 796 C ARG A 59 2.696 8.466 0.947 1.00 0.00 C ATOM 797 O ARG A 59 1.707 7.750 0.795 1.00 0.00 O ATOM 798 CB ARG A 59 3.098 10.206 -0.794 1.00 0.00 C ATOM 799 CG ARG A 59 3.985 10.668 -1.952 1.00 0.00 C ATOM 800 CD ARG A 59 4.006 12.195 -2.051 1.00 0.00 C ATOM 801 NE ARG A 59 5.365 12.660 -2.410 1.00 0.00 N ATOM 802 CZ ARG A 59 5.730 13.948 -2.458 1.00 0.00 C ATOM 803 NH1 ARG A 59 4.840 14.908 -2.171 1.00 0.00 N ATOM 804 NH2 ARG A 59 6.985 14.277 -2.794 1.00 0.00 N ATOM 0 H ARG A 59 2.592 7.367 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 59 4.605 8.943 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.064 10.129 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.118 10.949 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.999 10.295 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.619 10.244 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.289 12.529 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.702 12.634 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 59 6.067 11.955 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.885 14.658 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.118 15.889 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.662 13.547 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.263 15.258 -2.831 1.00 0.00 H new ATOM 818 N ARG A 60 3.096 8.955 2.111 1.00 0.00 N ATOM 819 CA ARG A 60 2.365 8.668 3.334 1.00 0.00 C ATOM 820 C ARG A 60 1.001 9.360 3.313 1.00 0.00 C ATOM 821 O ARG A 60 0.924 10.588 3.304 1.00 0.00 O ATOM 822 CB ARG A 60 3.147 9.134 4.565 1.00 0.00 C ATOM 823 CG ARG A 60 2.380 8.823 5.851 1.00 0.00 C ATOM 824 CD ARG A 60 2.959 9.598 7.036 1.00 0.00 C ATOM 825 NE ARG A 60 1.864 10.141 7.870 1.00 0.00 N ATOM 826 CZ ARG A 60 2.024 11.108 8.784 1.00 0.00 C ATOM 827 NH1 ARG A 60 3.235 11.644 8.987 1.00 0.00 N ATOM 828 NH2 ARG A 60 0.973 11.540 9.494 1.00 0.00 N ATOM 0 H ARG A 60 3.917 9.548 2.234 1.00 0.00 H new ATOM 0 HA ARG A 60 2.227 7.588 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.120 8.643 4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.333 10.206 4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.329 9.080 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.424 7.753 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.593 8.943 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.590 10.411 6.676 1.00 0.00 H new ATOM 0 HE ARG A 60 0.929 9.755 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.035 11.316 8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.357 12.380 9.683 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.051 11.133 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.095 12.276 10.190 1.00 0.00 H new ATOM 842 N GLY A 61 -0.041 8.543 3.305 1.00 0.00 N ATOM 843 CA GLY A 61 -1.399 9.061 3.285 1.00 0.00 C ATOM 844 C GLY A 61 -2.201 8.452 2.134 1.00 0.00 C ATOM 845 O GLY A 61 -3.426 8.363 2.205 1.00 0.00 O ATOM 0 H GLY A 61 0.027 7.525 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.890 8.840 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.377 10.146 3.183 1.00 0.00 H new ATOM 849 N ASP A 62 -1.479 8.048 1.100 1.00 0.00 N ATOM 850 CA ASP A 62 -2.108 7.450 -0.065 1.00 0.00 C ATOM 851 C ASP A 62 -3.094 6.372 0.390 1.00 0.00 C ATOM 852 O ASP A 62 -3.169 6.056 1.577 1.00 0.00 O ATOM 853 CB ASP A 62 -1.070 6.787 -0.973 1.00 0.00 C ATOM 854 CG ASP A 62 -0.777 7.537 -2.274 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.324 8.697 -2.171 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.012 6.932 -3.343 1.00 0.00 O ATOM 0 H ASP A 62 -0.463 8.123 1.045 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.617 8.241 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.139 6.678 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.414 5.782 -1.220 1.00 0.00 H new ATOM 861 N ARG A 63 -3.825 5.838 -0.577 1.00 0.00 N ATOM 862 CA ARG A 63 -4.803 4.802 -0.290 1.00 0.00 C ATOM 863 C ARG A 63 -4.577 3.592 -1.198 1.00 0.00 C ATOM 864 O ARG A 63 -4.924 3.623 -2.378 1.00 0.00 O ATOM 865 CB ARG A 63 -6.229 5.321 -0.489 1.00 0.00 C ATOM 866 CG ARG A 63 -7.254 4.208 -0.258 1.00 0.00 C ATOM 867 CD ARG A 63 -8.410 4.312 -1.255 1.00 0.00 C ATOM 868 NE ARG A 63 -9.691 4.010 -0.579 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.444 4.925 0.046 1.00 0.00 C ATOM 870 NH1 ARG A 63 -10.049 6.205 0.085 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.593 4.560 0.633 1.00 0.00 N ATOM 0 H ARG A 63 -3.760 6.103 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.677 4.507 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.420 6.145 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.338 5.717 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.770 3.236 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.640 4.270 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.443 5.314 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.253 3.618 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.021 3.045 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.175 6.483 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.623 6.901 0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.894 3.586 0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.166 5.257 1.109 1.00 0.00 H new ATOM 885 N ILE A 64 -3.997 2.554 -0.613 1.00 0.00 N ATOM 886 CA ILE A 64 -3.720 1.336 -1.355 1.00 0.00 C ATOM 887 C ILE A 64 -5.030 0.769 -1.904 1.00 0.00 C ATOM 888 O ILE A 64 -6.001 0.612 -1.164 1.00 0.00 O ATOM 889 CB ILE A 64 -2.937 0.347 -0.489 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.648 0.981 0.039 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.667 -0.953 -1.248 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.565 1.002 -1.042 1.00 0.00 C ATOM 0 H ILE A 64 -3.711 2.532 0.366 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.081 1.549 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.549 0.093 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.850 1.998 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.292 0.423 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.109 -1.638 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.614 -1.412 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.085 -0.737 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.340 1.457 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.348 -0.018 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.915 1.581 -1.896 1.00 0.00 H new ATOM 904 N LEU A 65 -5.017 0.477 -3.196 1.00 0.00 N ATOM 905 CA LEU A 65 -6.193 -0.069 -3.853 1.00 0.00 C ATOM 906 C LEU A 65 -5.938 -1.535 -4.208 1.00 0.00 C ATOM 907 O LEU A 65 -6.739 -2.407 -3.874 1.00 0.00 O ATOM 908 CB LEU A 65 -6.587 0.795 -5.052 1.00 0.00 C ATOM 909 CG LEU A 65 -7.335 2.090 -4.728 1.00 0.00 C ATOM 910 CD1 LEU A 65 -7.280 3.064 -5.907 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.773 1.798 -4.293 1.00 0.00 C ATOM 0 H LEU A 65 -4.210 0.608 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.050 -0.048 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.682 1.050 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.209 0.196 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.836 2.572 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.819 3.976 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.241 3.307 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.741 2.604 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.283 2.735 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.299 1.283 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.763 1.168 -3.403 1.00 0.00 H new ATOM 923 N SER A 66 -4.820 -1.762 -4.882 1.00 0.00 N ATOM 924 CA SER A 66 -4.450 -3.107 -5.287 1.00 0.00 C ATOM 925 C SER A 66 -2.930 -3.273 -5.224 1.00 0.00 C ATOM 926 O SER A 66 -2.190 -2.300 -5.357 1.00 0.00 O ATOM 927 CB SER A 66 -4.959 -3.418 -6.696 1.00 0.00 C ATOM 928 OG SER A 66 -4.596 -2.407 -7.631 1.00 0.00 O ATOM 0 H SER A 66 -4.158 -1.036 -5.158 1.00 0.00 H new ATOM 0 HA SER A 66 -4.916 -3.812 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.556 -4.376 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.044 -3.519 -6.675 1.00 0.00 H new ATOM 0 HG SER A 66 -4.938 -2.644 -8.518 1.00 0.00 H new ATOM 934 N VAL A 67 -2.510 -4.513 -5.021 1.00 0.00 N ATOM 935 CA VAL A 67 -1.092 -4.819 -4.938 1.00 0.00 C ATOM 936 C VAL A 67 -0.765 -5.963 -5.900 1.00 0.00 C ATOM 937 O VAL A 67 -1.535 -6.914 -6.025 1.00 0.00 O ATOM 938 CB VAL A 67 -0.707 -5.128 -3.490 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.505 -6.060 -3.432 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.446 -3.840 -2.706 1.00 0.00 C ATOM 0 H VAL A 67 -3.127 -5.318 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.497 -3.958 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.547 -5.641 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.758 -6.264 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.269 -6.996 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.353 -5.585 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.174 -4.087 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.369 -3.288 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.347 -3.226 -2.705 1.00 0.00 H new ATOM 950 N ASN A 68 0.379 -5.833 -6.556 1.00 0.00 N ATOM 951 CA ASN A 68 0.818 -6.844 -7.503 1.00 0.00 C ATOM 952 C ASN A 68 -0.387 -7.344 -8.303 1.00 0.00 C ATOM 953 O ASN A 68 -0.409 -8.491 -8.747 1.00 0.00 O ATOM 954 CB ASN A 68 1.437 -8.043 -6.782 1.00 0.00 C ATOM 955 CG ASN A 68 2.355 -8.832 -7.718 1.00 0.00 C ATOM 956 OD1 ASN A 68 3.466 -9.276 -7.138 1.00 0.00 O flip ATOM 957 ND2 ASN A 68 2.072 -9.024 -8.889 1.00 0.00 N flip ATOM 0 H ASN A 68 1.015 -5.043 -6.450 1.00 0.00 H new ATOM 0 HA ASN A 68 1.564 -6.392 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.003 -7.699 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.647 -8.694 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.201 -8.654 -9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.706 -9.554 -9.487 1.00 0.00 H new ATOM 964 N GLY A 69 -1.359 -6.458 -8.464 1.00 0.00 N ATOM 965 CA GLY A 69 -2.564 -6.795 -9.203 1.00 0.00 C ATOM 966 C GLY A 69 -3.500 -7.662 -8.359 1.00 0.00 C ATOM 967 O GLY A 69 -3.864 -8.766 -8.764 1.00 0.00 O ATOM 0 H GLY A 69 -1.337 -5.507 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.079 -5.882 -9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.298 -7.325 -10.118 1.00 0.00 H new ATOM 971 N VAL A 70 -3.864 -7.131 -7.201 1.00 0.00 N ATOM 972 CA VAL A 70 -4.751 -7.842 -6.297 1.00 0.00 C ATOM 973 C VAL A 70 -5.846 -6.891 -5.810 1.00 0.00 C ATOM 974 O VAL A 70 -5.609 -5.694 -5.655 1.00 0.00 O ATOM 975 CB VAL A 70 -3.945 -8.461 -5.153 1.00 0.00 C ATOM 976 CG1 VAL A 70 -3.646 -7.424 -4.069 1.00 0.00 C ATOM 977 CG2 VAL A 70 -4.669 -9.674 -4.566 1.00 0.00 C ATOM 0 H VAL A 70 -3.560 -6.216 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.243 -8.666 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.994 -8.803 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.072 -7.890 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.070 -6.604 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.583 -7.037 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.075 -10.095 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.641 -9.366 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.807 -10.426 -5.343 1.00 0.00 H new ATOM 987 N ASN A 71 -7.021 -7.459 -5.583 1.00 0.00 N ATOM 988 CA ASN A 71 -8.153 -6.677 -5.117 1.00 0.00 C ATOM 989 C ASN A 71 -8.157 -6.654 -3.587 1.00 0.00 C ATOM 990 O ASN A 71 -8.409 -7.674 -2.948 1.00 0.00 O ATOM 991 CB ASN A 71 -9.475 -7.289 -5.583 1.00 0.00 C ATOM 992 CG ASN A 71 -10.560 -6.218 -5.716 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.312 -5.094 -6.122 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.771 -6.627 -5.351 1.00 0.00 N ATOM 0 H ASN A 71 -7.214 -8.452 -5.713 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.057 -5.671 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.331 -7.787 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.797 -8.051 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.563 -5.986 -5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.909 -7.582 -5.020 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.874 -5.479 -3.044 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.842 -5.310 -1.601 1.00 0.00 C ATOM 1003 C LEU A 72 -8.813 -4.197 -1.201 1.00 0.00 C ATOM 1004 O LEU A 72 -8.906 -3.843 -0.026 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.408 -5.077 -1.121 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.360 -6.066 -1.634 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -3.948 -5.495 -1.489 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.503 -7.424 -0.943 1.00 0.00 C ATOM 0 H LEU A 72 -7.665 -4.635 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.177 -6.220 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.106 -4.072 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.402 -5.104 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.534 -6.226 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.223 -6.219 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.868 -4.572 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.746 -5.287 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.746 -8.109 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.371 -7.301 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.494 -7.831 -1.142 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.511 -3.676 -2.199 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.471 -2.611 -1.966 1.00 0.00 C ATOM 1022 C ARG A 73 -11.219 -2.850 -0.653 1.00 0.00 C ATOM 1023 O ARG A 73 -11.448 -1.916 0.114 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.481 -2.519 -3.111 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.975 -1.589 -4.215 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.569 -1.973 -5.571 1.00 0.00 C ATOM 1027 NE ARG A 73 -12.968 -1.498 -5.664 1.00 0.00 N ATOM 1028 CZ ARG A 73 -13.695 -1.519 -6.790 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.160 -1.990 -7.924 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -14.956 -1.067 -6.780 1.00 0.00 N ATOM 0 H ARG A 73 -9.431 -3.972 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.919 -1.673 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.662 -3.512 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.435 -2.153 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.239 -0.559 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.887 -1.636 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.974 -1.538 -6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.534 -3.055 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.406 -1.132 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.199 -2.333 -7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.713 -2.006 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.362 -0.707 -5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.510 -1.082 -7.636 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.580 -4.106 -0.434 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.298 -4.479 0.773 1.00 0.00 C ATOM 1046 C ASN A 74 -11.599 -5.672 1.428 1.00 0.00 C ATOM 1047 O ASN A 74 -12.236 -6.682 1.726 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.737 -4.891 0.453 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.596 -3.670 0.121 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -15.219 -3.066 0.978 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.594 -3.342 -1.168 1.00 0.00 N ATOM 0 H ASN A 74 -11.389 -4.878 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.310 -3.616 1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.742 -5.583 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.165 -5.421 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.137 -2.541 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.050 -3.891 -1.833 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.300 -5.516 1.634 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.508 -6.567 2.249 1.00 0.00 C ATOM 1060 C ALA A 75 -9.078 -6.124 3.649 1.00 0.00 C ATOM 1061 O ALA A 75 -9.143 -4.940 3.976 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.315 -6.899 1.351 1.00 0.00 C ATOM 0 H ALA A 75 -9.776 -4.677 1.386 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.098 -7.477 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.721 -7.688 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.674 -7.237 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.699 -6.009 1.221 1.00 0.00 H new ATOM 1068 N THR A 76 -8.649 -7.098 4.438 1.00 0.00 N ATOM 1069 CA THR A 76 -8.208 -6.822 5.795 1.00 0.00 C ATOM 1070 C THR A 76 -6.722 -6.459 5.810 1.00 0.00 C ATOM 1071 O THR A 76 -6.003 -6.733 4.851 1.00 0.00 O ATOM 1072 CB THR A 76 -8.545 -8.040 6.657 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.521 -8.981 6.344 1.00 0.00 O ATOM 1074 CG2 THR A 76 -9.835 -8.733 6.215 1.00 0.00 C ATOM 0 H THR A 76 -8.597 -8.079 4.164 1.00 0.00 H new ATOM 0 HA THR A 76 -8.725 -5.957 6.211 1.00 0.00 H new ATOM 0 HB THR A 76 -8.638 -7.732 7.698 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.662 -9.802 6.861 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.027 -9.590 6.860 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.667 -8.032 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.732 -9.071 5.184 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.306 -5.848 6.909 1.00 0.00 N ATOM 1083 CA HIS A 77 -4.919 -5.444 7.062 1.00 0.00 C ATOM 1084 C HIS A 77 -4.002 -6.619 6.718 1.00 0.00 C ATOM 1085 O HIS A 77 -2.991 -6.444 6.039 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.667 -4.885 8.464 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.351 -4.159 8.608 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -2.892 -3.673 9.820 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.401 -3.843 7.682 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -1.718 -3.092 9.620 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.416 -3.198 8.294 1.00 0.00 N ATOM 0 H HIS A 77 -6.906 -5.623 7.703 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.693 -4.636 6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.477 -4.203 8.723 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.699 -5.705 9.182 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.443 -4.078 6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.108 -2.618 10.374 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.572 -2.840 7.847 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.387 -7.790 7.203 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.612 -8.994 6.955 1.00 0.00 C ATOM 1101 C GLU A 78 -3.593 -9.315 5.459 1.00 0.00 C ATOM 1102 O GLU A 78 -2.527 -9.511 4.877 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.159 -10.174 7.762 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.044 -11.160 8.115 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.580 -12.311 8.969 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.820 -12.064 10.170 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.738 -13.413 8.400 1.00 0.00 O ATOM 0 H GLU A 78 -5.225 -7.931 7.767 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.587 -8.816 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.629 -9.808 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.933 -10.684 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.601 -11.556 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.252 -10.641 8.654 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.784 -9.358 4.881 1.00 0.00 N ATOM 1115 CA GLN A 79 -4.917 -9.652 3.464 1.00 0.00 C ATOM 1116 C GLN A 79 -3.995 -8.746 2.645 1.00 0.00 C ATOM 1117 O GLN A 79 -3.257 -9.222 1.783 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.371 -9.509 3.009 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.128 -10.828 3.171 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.093 -11.054 2.005 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -7.788 -11.727 1.035 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.271 -10.454 2.154 1.00 0.00 N ATOM 0 H GLN A 79 -5.665 -9.194 5.368 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.618 -10.687 3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.863 -8.729 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.400 -9.195 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.419 -11.654 3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.682 -10.820 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.461 -9.905 2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.984 -10.543 1.430 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.066 -7.457 2.944 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.247 -6.481 2.246 1.00 0.00 C ATOM 1133 C ALA A 80 -1.769 -6.803 2.477 1.00 0.00 C ATOM 1134 O ALA A 80 -0.916 -6.431 1.674 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.617 -5.073 2.717 1.00 0.00 C ATOM 0 H ALA A 80 -4.678 -7.066 3.660 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.430 -6.524 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.002 -4.341 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.669 -4.883 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.444 -4.991 3.790 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.512 -7.492 3.580 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.153 -7.869 3.927 1.00 0.00 C ATOM 1143 C ALA A 81 0.215 -9.164 3.200 1.00 0.00 C ATOM 1144 O ALA A 81 1.317 -9.291 2.670 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.031 -7.998 5.447 1.00 0.00 C ATOM 0 H ALA A 81 -2.223 -7.799 4.245 1.00 0.00 H new ATOM 0 HA ALA A 81 0.551 -7.101 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.989 -8.281 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.273 -7.043 5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.722 -8.762 5.804 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.730 -10.093 3.200 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.520 -11.374 2.547 1.00 0.00 C ATOM 1153 C ALA A 82 -0.268 -11.146 1.055 1.00 0.00 C ATOM 1154 O ALA A 82 0.466 -11.904 0.423 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.724 -12.282 2.804 1.00 0.00 C ATOM 0 H ALA A 82 -1.643 -9.984 3.642 1.00 0.00 H new ATOM 0 HA ALA A 82 0.358 -11.874 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.566 -13.243 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.841 -12.436 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.624 -11.815 2.405 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.892 -10.099 0.536 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.745 -9.762 -0.870 1.00 0.00 C ATOM 1163 C ALA A 83 0.654 -9.191 -1.110 1.00 0.00 C ATOM 1164 O ALA A 83 1.102 -9.096 -2.251 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.851 -8.787 -1.279 1.00 0.00 C ATOM 0 H ALA A 83 -1.500 -9.473 1.064 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.848 -10.652 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.741 -8.534 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.824 -9.251 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.777 -7.880 -0.679 1.00 0.00 H new ATOM 1171 N LEU A 84 1.305 -8.828 -0.015 1.00 0.00 N ATOM 1172 CA LEU A 84 2.645 -8.269 -0.092 1.00 0.00 C ATOM 1173 C LEU A 84 3.670 -9.385 0.114 1.00 0.00 C ATOM 1174 O LEU A 84 4.780 -9.318 -0.413 1.00 0.00 O ATOM 1175 CB LEU A 84 2.797 -7.105 0.890 1.00 0.00 C ATOM 1176 CG LEU A 84 2.152 -5.784 0.468 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.164 -4.776 1.619 1.00 0.00 C ATOM 1178 CD2 LEU A 84 2.818 -5.224 -0.790 1.00 0.00 C ATOM 0 H LEU A 84 0.930 -8.910 0.930 1.00 0.00 H new ATOM 0 HA LEU A 84 2.826 -7.847 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.371 -7.405 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.860 -6.931 1.055 1.00 0.00 H new ATOM 0 HG LEU A 84 1.109 -5.978 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.700 -3.845 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.608 -5.182 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.193 -4.581 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.340 -4.285 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.876 -5.049 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.714 -5.939 -1.606 1.00 0.00 H new ATOM 1190 N LYS A 85 3.263 -10.386 0.881 1.00 0.00 N ATOM 1191 CA LYS A 85 4.133 -11.515 1.163 1.00 0.00 C ATOM 1192 C LYS A 85 4.125 -12.471 -0.032 1.00 0.00 C ATOM 1193 O LYS A 85 4.998 -13.328 -0.152 1.00 0.00 O ATOM 1194 CB LYS A 85 3.739 -12.178 2.484 1.00 0.00 C ATOM 1195 CG LYS A 85 4.493 -11.551 3.659 1.00 0.00 C ATOM 1196 CD LYS A 85 3.698 -10.392 4.264 1.00 0.00 C ATOM 1197 CE LYS A 85 4.571 -9.560 5.205 1.00 0.00 C ATOM 1198 NZ LYS A 85 4.294 -9.912 6.616 1.00 0.00 N ATOM 0 H LYS A 85 2.342 -10.439 1.316 1.00 0.00 H new ATOM 0 HA LYS A 85 5.162 -11.179 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.665 -12.076 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.954 -13.246 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.678 -12.307 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.466 -11.193 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.309 -9.758 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.838 -10.782 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.624 -9.732 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.380 -8.499 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.895 -9.338 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.294 -9.725 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.499 -10.920 6.769 1.00 0.00 H new ATOM 1212 N ARG A 86 3.127 -12.291 -0.885 1.00 0.00 N ATOM 1213 CA ARG A 86 2.993 -13.127 -2.066 1.00 0.00 C ATOM 1214 C ARG A 86 3.722 -12.492 -3.251 1.00 0.00 C ATOM 1215 O ARG A 86 4.035 -13.170 -4.229 1.00 0.00 O ATOM 1216 CB ARG A 86 1.521 -13.331 -2.432 1.00 0.00 C ATOM 1217 CG ARG A 86 0.950 -12.090 -3.119 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.366 -12.413 -3.830 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.436 -11.689 -5.119 1.00 0.00 N ATOM 1220 CZ ARG A 86 -1.191 -12.074 -6.157 1.00 0.00 C ATOM 1221 NH1 ARG A 86 -1.944 -13.179 -6.065 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -1.192 -11.355 -7.288 1.00 0.00 N ATOM 0 H ARG A 86 2.404 -11.579 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 86 3.437 -14.096 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.423 -14.194 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.946 -13.550 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.786 -11.305 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.671 -11.704 -3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.442 -13.487 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.209 -12.131 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 86 0.126 -10.844 -5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.942 -13.727 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.519 -13.472 -6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.618 -10.515 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.767 -11.648 -8.078 1.00 0.00 H new ATOM 1236 N ALA A 87 3.973 -11.197 -3.126 1.00 0.00 N ATOM 1237 CA ALA A 87 4.660 -10.462 -4.175 1.00 0.00 C ATOM 1238 C ALA A 87 6.096 -10.976 -4.295 1.00 0.00 C ATOM 1239 O ALA A 87 6.344 -12.174 -4.161 1.00 0.00 O ATOM 1240 CB ALA A 87 4.600 -8.964 -3.872 1.00 0.00 C ATOM 0 H ALA A 87 3.713 -10.637 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 87 4.172 -10.619 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.115 -8.413 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.559 -8.643 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.083 -8.767 -2.915 1.00 0.00 H new ATOM 1246 N GLY A 88 7.005 -10.045 -4.546 1.00 0.00 N ATOM 1247 CA GLY A 88 8.409 -10.389 -4.686 1.00 0.00 C ATOM 1248 C GLY A 88 9.283 -9.133 -4.701 1.00 0.00 C ATOM 1249 O GLY A 88 9.175 -8.287 -3.815 1.00 0.00 O ATOM 0 H GLY A 88 6.796 -9.053 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.712 -11.037 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.559 -10.952 -5.607 1.00 0.00 H new ATOM 1253 N GLN A 89 10.128 -9.051 -5.718 1.00 0.00 N ATOM 1254 CA GLN A 89 11.019 -7.912 -5.861 1.00 0.00 C ATOM 1255 C GLN A 89 10.299 -6.759 -6.562 1.00 0.00 C ATOM 1256 O GLN A 89 10.473 -5.598 -6.194 1.00 0.00 O ATOM 1257 CB GLN A 89 12.292 -8.303 -6.614 1.00 0.00 C ATOM 1258 CG GLN A 89 12.013 -8.479 -8.108 1.00 0.00 C ATOM 1259 CD GLN A 89 12.074 -7.137 -8.839 1.00 0.00 C ATOM 1260 OE1 GLN A 89 12.021 -7.239 -10.164 1.00 0.00 O flip ATOM 1261 NE2 GLN A 89 12.163 -6.078 -8.240 1.00 0.00 N flip ATOM 0 H GLN A 89 10.215 -9.755 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 89 11.313 -7.579 -4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.054 -7.537 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.691 -9.230 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.742 -9.165 -8.539 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.030 -8.929 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.199 -6.070 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.201 -5.200 -8.758 1.00 0.00 H new ATOM 1270 N SER A 90 9.505 -7.119 -7.560 1.00 0.00 N ATOM 1271 CA SER A 90 8.757 -6.129 -8.316 1.00 0.00 C ATOM 1272 C SER A 90 7.269 -6.224 -7.975 1.00 0.00 C ATOM 1273 O SER A 90 6.556 -7.066 -8.519 1.00 0.00 O ATOM 1274 CB SER A 90 8.970 -6.309 -9.820 1.00 0.00 C ATOM 1275 OG SER A 90 9.560 -7.569 -10.129 1.00 0.00 O ATOM 0 H SER A 90 9.363 -8.083 -7.863 1.00 0.00 H new ATOM 0 HA SER A 90 9.123 -5.140 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.013 -6.221 -10.335 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.608 -5.508 -10.194 1.00 0.00 H new ATOM 0 HG SER A 90 10.378 -7.428 -10.651 1.00 0.00 H new ATOM 1281 N VAL A 91 6.843 -5.348 -7.076 1.00 0.00 N ATOM 1282 CA VAL A 91 5.453 -5.323 -6.656 1.00 0.00 C ATOM 1283 C VAL A 91 4.778 -4.069 -7.216 1.00 0.00 C ATOM 1284 O VAL A 91 5.375 -2.993 -7.232 1.00 0.00 O ATOM 1285 CB VAL A 91 5.365 -5.419 -5.132 1.00 0.00 C ATOM 1286 CG1 VAL A 91 3.925 -5.676 -4.681 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.309 -6.496 -4.595 1.00 0.00 C ATOM 0 H VAL A 91 7.437 -4.651 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 91 4.918 -6.185 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 91 5.680 -4.461 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.890 -5.740 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.287 -4.858 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.571 -6.613 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.227 -6.543 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.039 -7.462 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.335 -6.251 -4.871 1.00 0.00 H new ATOM 1297 N THR A 92 3.543 -4.248 -7.661 1.00 0.00 N ATOM 1298 CA THR A 92 2.781 -3.145 -8.221 1.00 0.00 C ATOM 1299 C THR A 92 1.740 -2.652 -7.214 1.00 0.00 C ATOM 1300 O THR A 92 0.681 -3.259 -7.062 1.00 0.00 O ATOM 1301 CB THR A 92 2.173 -3.613 -9.544 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.301 -3.962 -10.341 1.00 0.00 O ATOM 1303 CG2 THR A 92 1.508 -2.473 -10.319 1.00 0.00 C ATOM 0 H THR A 92 3.051 -5.141 -7.645 1.00 0.00 H new ATOM 0 HA THR A 92 3.420 -2.287 -8.427 1.00 0.00 H new ATOM 0 HB THR A 92 1.440 -4.396 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.997 -4.278 -11.217 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.093 -2.859 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.709 -2.041 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.248 -1.705 -10.543 1.00 0.00 H new ATOM 1311 N ILE A 93 2.077 -1.554 -6.552 1.00 0.00 N ATOM 1312 CA ILE A 93 1.185 -0.973 -5.564 1.00 0.00 C ATOM 1313 C ILE A 93 0.435 0.204 -6.191 1.00 0.00 C ATOM 1314 O ILE A 93 1.041 1.217 -6.539 1.00 0.00 O ATOM 1315 CB ILE A 93 1.957 -0.604 -4.295 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.357 -1.858 -3.514 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.160 0.378 -3.434 1.00 0.00 C ATOM 1318 CD1 ILE A 93 3.785 -2.286 -3.859 1.00 0.00 C ATOM 0 H ILE A 93 2.956 -1.052 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 93 0.436 -1.701 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 93 2.878 -0.100 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.280 -1.665 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.665 -2.669 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.731 0.624 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.968 1.288 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.212 -0.077 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.044 -3.179 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.853 -2.502 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.477 -1.482 -3.607 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.873 0.033 -6.316 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.712 1.068 -6.894 1.00 0.00 C ATOM 1332 C VAL A 94 -2.471 1.787 -5.778 1.00 0.00 C ATOM 1333 O VAL A 94 -3.477 1.281 -5.281 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.636 0.462 -7.952 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.537 1.533 -8.571 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.832 -0.268 -9.030 1.00 0.00 C ATOM 0 H VAL A 94 -1.372 -0.808 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.102 1.814 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.275 -0.270 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.184 1.076 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.149 1.988 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.921 2.299 -9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.513 -0.689 -9.769 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.156 0.434 -9.518 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.253 -1.070 -8.572 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.961 2.954 -5.415 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.579 3.747 -4.366 1.00 0.00 C ATOM 1348 C ALA A 95 -2.870 5.152 -4.898 1.00 0.00 C ATOM 1349 O ALA A 95 -2.232 5.604 -5.847 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.667 3.768 -3.137 1.00 0.00 C ATOM 0 H ALA A 95 -1.127 3.370 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.528 3.306 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.131 4.363 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.514 2.750 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.706 4.207 -3.405 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.835 5.802 -4.264 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.219 7.146 -4.663 1.00 0.00 C ATOM 1358 C GLN A 96 -3.970 8.130 -3.519 1.00 0.00 C ATOM 1359 O GLN A 96 -4.365 7.878 -2.381 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.680 7.187 -5.114 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.626 6.981 -3.928 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.087 7.110 -4.364 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.401 6.378 -5.429 1.00 0.00 O flip ATOM 1364 NE2 GLN A 96 -8.877 7.827 -3.772 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.362 5.423 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.603 7.443 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.891 8.145 -5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.855 6.414 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.459 5.996 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.408 7.715 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.570 8.363 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.845 7.890 -4.089 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.315 9.231 -3.859 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.009 10.254 -2.875 1.00 0.00 C ATOM 1375 C TYR A 97 -4.289 10.826 -2.262 1.00 0.00 C ATOM 1376 O TYR A 97 -4.882 11.755 -2.808 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.280 11.365 -3.634 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.255 12.126 -2.791 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.463 12.294 -1.437 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.122 12.644 -3.384 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.498 13.010 -0.644 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.844 13.360 -2.591 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.608 13.507 -1.260 1.00 0.00 C ATOM 1384 OH TYR A 97 1.520 14.184 -0.511 1.00 0.00 O ATOM 0 H TYR A 97 -2.988 9.436 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.410 9.839 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.775 10.930 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.016 12.072 -4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.350 11.888 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.041 12.513 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.649 13.149 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.735 13.770 -3.043 1.00 0.00 H new ATOM 0 HH TYR A 97 1.514 13.836 0.405 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.677 10.248 -1.135 1.00 0.00 N ATOM 1395 CA ARG A 98 -5.875 10.688 -0.441 1.00 0.00 C ATOM 1396 C ARG A 98 -5.585 10.886 1.048 1.00 0.00 C ATOM 1397 O ARG A 98 -5.843 9.996 1.857 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.009 9.674 -0.603 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.361 10.303 -0.261 1.00 0.00 C ATOM 1400 CD ARG A 98 -9.258 10.381 -1.498 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.248 9.281 -1.475 1.00 0.00 N ATOM 1402 CZ ARG A 98 -11.276 9.177 -2.328 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -11.456 10.107 -3.276 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -12.124 8.144 -2.233 1.00 0.00 N ATOM 0 H ARG A 98 -4.182 9.478 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.184 11.635 -0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.026 9.303 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.829 8.816 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.854 9.715 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.209 11.303 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.771 11.342 -1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.652 10.317 -2.402 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.141 8.556 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.811 10.894 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.238 10.028 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.987 7.436 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.907 8.065 -2.883 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.038 12.088 1.372 1.00 0.00 N ATOM 1419 CA PRO A 99 -4.710 12.413 2.750 1.00 0.00 C ATOM 1420 C PRO A 99 -5.972 12.731 3.554 1.00 0.00 C ATOM 1421 O PRO A 99 -5.983 12.600 4.777 1.00 0.00 O ATOM 1422 CB PRO A 99 -3.752 13.589 2.659 1.00 0.00 C ATOM 1423 CG PRO A 99 -3.941 14.174 1.269 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.719 13.165 0.440 1.00 0.00 C ATOM 0 HA PRO A 99 -4.248 11.580 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.970 14.330 3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.722 13.266 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.480 15.120 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.975 14.383 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.623 13.608 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.126 12.800 -0.399 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.006 13.144 2.834 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.270 13.481 3.465 1.00 0.00 C ATOM 1434 C GLU A 100 -8.829 12.271 4.215 1.00 0.00 C ATOM 1435 O GLU A 100 -9.175 12.370 5.391 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.275 14.000 2.435 1.00 0.00 C ATOM 1437 CG GLU A 100 -10.065 15.188 2.990 1.00 0.00 C ATOM 1438 CD GLU A 100 -10.855 15.887 1.881 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -10.201 16.337 0.916 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -12.095 15.955 2.025 1.00 0.00 O ATOM 0 H GLU A 100 -6.993 13.253 1.820 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.092 14.279 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.750 14.300 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.961 13.200 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.748 14.844 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.382 15.897 3.457 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.901 11.155 3.504 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.412 9.927 4.087 1.00 0.00 C ATOM 1449 C GLU A 101 -8.482 9.441 5.201 1.00 0.00 C ATOM 1450 O GLU A 101 -8.895 9.325 6.353 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.599 8.848 3.019 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.886 9.079 2.225 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.932 8.011 2.553 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.520 6.840 2.697 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -13.119 8.390 2.652 1.00 0.00 O ATOM 0 H GLU A 101 -8.613 11.076 2.529 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.390 10.134 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.745 8.850 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.630 7.866 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.286 10.067 2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.667 9.063 1.157 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.243 9.169 4.816 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.251 8.698 5.767 1.00 0.00 C ATOM 1464 C TYR A 102 -6.332 9.483 7.078 1.00 0.00 C ATOM 1465 O TYR A 102 -6.064 8.940 8.149 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.889 8.953 5.117 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.698 8.649 6.028 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.427 7.347 6.396 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.895 9.676 6.481 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.305 7.060 7.253 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.774 9.389 7.338 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.535 8.095 7.682 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.476 7.824 8.491 1.00 0.00 O ATOM 0 H TYR A 102 -6.904 9.266 3.859 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.413 7.646 6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.808 8.345 4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.837 9.996 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.056 6.543 6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.107 10.695 6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.081 6.046 7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.138 10.183 7.699 1.00 0.00 H new ATOM 0 HH TYR A 102 0.080 7.129 8.081 1.00 0.00 H new ATOM 1483 N SER A 103 -6.702 10.749 6.951 1.00 0.00 N ATOM 1484 CA SER A 103 -6.821 11.614 8.112 1.00 0.00 C ATOM 1485 C SER A 103 -7.704 10.950 9.171 1.00 0.00 C ATOM 1486 O SER A 103 -7.547 11.204 10.364 1.00 0.00 O ATOM 1487 CB SER A 103 -7.393 12.979 7.725 1.00 0.00 C ATOM 1488 OG SER A 103 -6.962 14.009 8.611 1.00 0.00 O ATOM 0 H SER A 103 -6.923 11.196 6.061 1.00 0.00 H new ATOM 0 HA SER A 103 -5.825 11.771 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.088 13.225 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.482 12.930 7.728 1.00 0.00 H new ATOM 0 HG SER A 103 -7.347 14.865 8.329 1.00 0.00 H new ATOM 1494 N ARG A 104 -8.613 10.111 8.696 1.00 0.00 N ATOM 1495 CA ARG A 104 -9.521 9.408 9.586 1.00 0.00 C ATOM 1496 C ARG A 104 -8.741 8.462 10.501 1.00 0.00 C ATOM 1497 O ARG A 104 -9.166 8.186 11.622 1.00 0.00 O ATOM 1498 CB ARG A 104 -10.557 8.605 8.796 1.00 0.00 C ATOM 1499 CG ARG A 104 -9.907 7.407 8.101 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.424 7.258 6.669 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.354 6.109 6.584 1.00 0.00 N ATOM 1502 CZ ARG A 104 -12.626 6.140 7.004 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -13.128 7.261 7.540 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -13.397 5.050 6.887 1.00 0.00 N ATOM 0 H ARG A 104 -8.740 9.902 7.706 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.040 10.155 10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.343 8.258 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.032 9.247 8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.824 7.532 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.117 6.497 8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.932 8.171 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.588 7.111 5.985 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.005 5.240 6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.542 8.091 7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.096 7.284 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.015 4.197 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.365 5.074 7.207 1.00 0.00 H new ATOM 1518 N PHE A 105 -7.614 7.990 9.988 1.00 0.00 N ATOM 1519 CA PHE A 105 -6.771 7.080 10.744 1.00 0.00 C ATOM 1520 C PHE A 105 -5.808 7.850 11.650 1.00 0.00 C ATOM 1521 O PHE A 105 -5.574 7.454 12.791 1.00 0.00 O ATOM 1522 CB PHE A 105 -5.961 6.272 9.728 1.00 0.00 C ATOM 1523 CG PHE A 105 -6.734 5.113 9.096 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.773 3.904 9.716 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.381 5.292 7.913 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.491 2.828 9.129 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -8.099 4.217 7.327 1.00 0.00 C ATOM 1528 CZ PHE A 105 -8.138 3.007 7.947 1.00 0.00 C ATOM 0 H PHE A 105 -7.265 8.221 9.058 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.387 6.439 11.375 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.618 6.940 8.938 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -5.072 5.877 10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.258 3.761 10.655 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.348 6.252 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.523 1.868 9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.614 4.360 6.389 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.683 2.189 7.500 1.00 0.00 H new