USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 674 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 63 TYR OH : rot -127:sc= 0.168 USER MOD Set 1.2: A 69 THR OG1 : rot 170:sc= 0.16 USER MOD Set 2.1: A 52 SER OG : rot -150:sc= 0.00793 USER MOD Set 2.2: A 58 THR OG1 : rot -140:sc= 0 USER MOD Single : A 9 MET CE :methyl -162:sc= -3.67! (180deg=-3.89!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 17 LYS NZ :NH3+ 141:sc= 0.123 (180deg=-0.00998) USER MOD Single : A 19 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.78 K(o=-0.78,f=-2.3) USER MOD Single : A 35 THR OG1 : rot -132:sc= 0.475 USER MOD Single : A 38 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.614 K(o=-0.61,f=-7!) USER MOD Single : A 47 ASN : amide:sc=-0.00757 X(o=-0.0076,f=-0.31) USER MOD Single : A 56 SER OG : rot 180:sc= -0.207 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -178:sc= -0.233 (180deg=-0.245) USER MOD Single : A 62 ASN : amide:sc= -0.745 X(o=-0.74,f=-0.66) USER MOD Single : A 66 SER OG : rot 71:sc= 0.444 USER MOD Single : A 79 GLN : amide:sc= -0.0592 K(o=-0.059,f=-0.92) USER MOD Single : A 80 MET CE :methyl 163:sc= -1.95 (180deg=-2.89!) USER MOD Single : A 82 TYR OH : rot -27:sc= -0.577 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 1.948 8.738 0.490 1.00 0.00 N ATOM 69 CA ASP A 8 0.575 9.168 0.728 1.00 0.00 C ATOM 70 C ASP A 8 -0.192 8.121 1.531 1.00 0.00 C ATOM 71 O ASP A 8 -1.399 7.954 1.359 1.00 0.00 O ATOM 72 CB ASP A 8 -0.138 9.431 -0.600 1.00 0.00 C ATOM 73 CG ASP A 8 0.027 10.862 -1.073 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.138 11.214 -1.519 1.00 0.00 O ATOM 75 OD2 ASP A 8 -0.954 11.629 -0.994 1.00 0.00 O ATOM 0 HA ASP A 8 0.606 10.092 1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.253 8.753 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.199 9.208 -0.490 1.00 0.00 H new ATOM 80 N MET A 9 0.518 7.421 2.409 1.00 0.00 N ATOM 81 CA MET A 9 -0.095 6.389 3.239 1.00 0.00 C ATOM 82 C MET A 9 -0.792 6.996 4.457 1.00 0.00 C ATOM 83 O MET A 9 -1.502 6.301 5.184 1.00 0.00 O ATOM 84 CB MET A 9 0.961 5.380 3.694 1.00 0.00 C ATOM 85 CG MET A 9 1.161 4.230 2.720 1.00 0.00 C ATOM 86 SD MET A 9 -0.136 2.983 2.842 1.00 0.00 S ATOM 87 CE MET A 9 -0.186 2.382 1.155 1.00 0.00 C ATOM 0 H MET A 9 1.518 7.549 2.565 1.00 0.00 H new ATOM 0 HA MET A 9 -0.846 5.879 2.636 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.910 5.897 3.833 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.673 4.977 4.665 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.189 4.621 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.128 3.763 2.909 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.124 1.854 0.984 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.113 3.224 0.467 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.649 1.702 0.986 1.00 0.00 H new ATOM 97 N LYS A 10 -0.585 8.292 4.680 1.00 0.00 N ATOM 98 CA LYS A 10 -1.196 8.979 5.812 1.00 0.00 C ATOM 99 C LYS A 10 -2.688 9.200 5.581 1.00 0.00 C ATOM 100 O LYS A 10 -3.479 9.192 6.523 1.00 0.00 O ATOM 101 CB LYS A 10 -0.502 10.321 6.055 1.00 0.00 C ATOM 102 CG LYS A 10 -0.370 11.173 4.803 1.00 0.00 C ATOM 103 CD LYS A 10 -0.628 12.642 5.097 1.00 0.00 C ATOM 104 CE LYS A 10 -0.140 13.531 3.964 1.00 0.00 C ATOM 105 NZ LYS A 10 1.171 14.163 4.279 1.00 0.00 N ATOM 0 H LYS A 10 0.000 8.885 4.092 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.075 8.348 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.061 10.879 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.491 10.138 6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.630 11.055 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.074 10.823 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.695 12.801 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.126 12.922 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.048 12.940 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.879 14.307 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.469 14.761 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.078 14.747 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.883 13.423 4.441 1.00 0.00 H new ATOM 119 N GLN A 11 -3.064 9.398 4.322 1.00 0.00 N ATOM 120 CA GLN A 11 -4.462 9.623 3.970 1.00 0.00 C ATOM 121 C GLN A 11 -5.261 8.325 4.051 1.00 0.00 C ATOM 122 O GLN A 11 -6.452 8.336 4.362 1.00 0.00 O ATOM 123 CB GLN A 11 -4.568 10.214 2.563 1.00 0.00 C ATOM 124 CG GLN A 11 -3.917 9.356 1.491 1.00 0.00 C ATOM 125 CD GLN A 11 -4.571 9.525 0.133 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.855 10.643 -0.297 1.00 0.00 O ATOM 127 NE2 GLN A 11 -4.814 8.413 -0.550 1.00 0.00 N ATOM 0 H GLN A 11 -2.422 9.407 3.529 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.880 10.331 4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.620 10.354 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.105 11.201 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.861 9.614 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.969 8.308 1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.562 7.507 -0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.253 8.465 -1.469 1.00 0.00 H new ATOM 136 N LEU A 12 -4.598 7.209 3.768 1.00 0.00 N ATOM 137 CA LEU A 12 -5.248 5.904 3.809 1.00 0.00 C ATOM 138 C LEU A 12 -5.756 5.593 5.213 1.00 0.00 C ATOM 139 O LEU A 12 -5.003 5.657 6.185 1.00 0.00 O ATOM 140 CB LEU A 12 -4.276 4.813 3.353 1.00 0.00 C ATOM 141 CG LEU A 12 -4.252 4.558 1.844 1.00 0.00 C ATOM 142 CD1 LEU A 12 -2.952 3.882 1.439 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.447 3.713 1.430 1.00 0.00 C ATOM 0 H LEU A 12 -3.612 7.182 3.508 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.101 5.929 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.271 5.084 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.534 3.883 3.859 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.314 5.517 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.952 3.708 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.111 4.523 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.860 2.929 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.415 3.541 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.415 2.757 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.369 4.235 1.687 1.00 0.00 H new ATOM 155 N ALA A 13 -7.038 5.256 5.311 1.00 0.00 N ATOM 156 CA ALA A 13 -7.647 4.935 6.597 1.00 0.00 C ATOM 157 C ALA A 13 -7.297 3.517 7.032 1.00 0.00 C ATOM 158 O ALA A 13 -7.047 2.645 6.199 1.00 0.00 O ATOM 159 CB ALA A 13 -9.157 5.108 6.522 1.00 0.00 C ATOM 0 H ALA A 13 -7.675 5.198 4.516 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.249 5.624 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.599 4.865 7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.393 6.141 6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.562 4.442 5.760 1.00 0.00 H new ATOM 165 N GLU A 14 -7.281 3.292 8.342 1.00 0.00 N ATOM 166 CA GLU A 14 -6.960 1.979 8.890 1.00 0.00 C ATOM 167 C GLU A 14 -7.942 0.925 8.387 1.00 0.00 C ATOM 168 O GLU A 14 -7.572 -0.230 8.173 1.00 0.00 O ATOM 169 CB GLU A 14 -6.980 2.022 10.419 1.00 0.00 C ATOM 170 CG GLU A 14 -5.906 1.164 11.066 1.00 0.00 C ATOM 171 CD GLU A 14 -5.234 1.853 12.237 1.00 0.00 C ATOM 172 OE1 GLU A 14 -5.938 2.545 13.002 1.00 0.00 O ATOM 173 OE2 GLU A 14 -4.004 1.701 12.389 1.00 0.00 O ATOM 0 H GLU A 14 -7.487 4.003 9.044 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.959 1.708 8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.855 3.054 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.958 1.692 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.350 0.228 11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.154 0.907 10.320 1.00 0.00 H new ATOM 180 N ASP A 15 -9.194 1.330 8.201 1.00 0.00 N ATOM 181 CA ASP A 15 -10.228 0.420 7.723 1.00 0.00 C ATOM 182 C ASP A 15 -9.918 -0.062 6.310 1.00 0.00 C ATOM 183 O ASP A 15 -10.197 -1.209 5.959 1.00 0.00 O ATOM 184 CB ASP A 15 -11.595 1.107 7.754 1.00 0.00 C ATOM 185 CG ASP A 15 -12.375 0.789 9.014 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.826 0.993 10.118 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.532 0.337 8.899 1.00 0.00 O ATOM 0 H ASP A 15 -9.517 2.282 8.374 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.250 -0.446 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.458 2.186 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.174 0.797 6.884 1.00 0.00 H new ATOM 192 N VAL A 16 -9.340 0.820 5.502 1.00 0.00 N ATOM 193 CA VAL A 16 -8.991 0.484 4.127 1.00 0.00 C ATOM 194 C VAL A 16 -7.868 -0.546 4.081 1.00 0.00 C ATOM 195 O VAL A 16 -7.981 -1.574 3.413 1.00 0.00 O ATOM 196 CB VAL A 16 -8.557 1.733 3.336 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.393 1.401 1.862 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.560 2.860 3.529 1.00 0.00 C ATOM 0 H VAL A 16 -9.103 1.774 5.776 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.886 0.064 3.668 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.592 2.067 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.086 2.295 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.634 0.628 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.341 1.042 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.238 3.734 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.540 2.540 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.622 3.115 4.587 1.00 0.00 H new ATOM 208 N LYS A 17 -6.785 -0.264 4.797 1.00 0.00 N ATOM 209 CA LYS A 17 -5.639 -1.166 4.839 1.00 0.00 C ATOM 210 C LYS A 17 -6.006 -2.485 5.515 1.00 0.00 C ATOM 211 O LYS A 17 -5.408 -3.524 5.235 1.00 0.00 O ATOM 212 CB LYS A 17 -4.472 -0.508 5.579 1.00 0.00 C ATOM 213 CG LYS A 17 -3.925 0.725 4.876 1.00 0.00 C ATOM 214 CD LYS A 17 -4.066 1.969 5.739 1.00 0.00 C ATOM 215 CE LYS A 17 -2.858 2.883 5.605 1.00 0.00 C ATOM 216 NZ LYS A 17 -1.966 2.803 6.793 1.00 0.00 N ATOM 0 H LYS A 17 -6.676 0.582 5.356 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.338 -1.377 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.798 -0.230 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.669 -1.236 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.875 0.569 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.454 0.873 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.967 2.511 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.188 1.677 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.296 2.613 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.194 3.911 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.973 2.837 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.160 3.604 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.141 1.911 7.299 1.00 0.00 H new ATOM 230 N LEU A 18 -6.990 -2.434 6.407 1.00 0.00 N ATOM 231 CA LEU A 18 -7.434 -3.625 7.123 1.00 0.00 C ATOM 232 C LEU A 18 -8.058 -4.635 6.165 1.00 0.00 C ATOM 233 O LEU A 18 -7.830 -5.840 6.283 1.00 0.00 O ATOM 234 CB LEU A 18 -8.443 -3.244 8.209 1.00 0.00 C ATOM 235 CG LEU A 18 -7.838 -2.972 9.587 1.00 0.00 C ATOM 236 CD1 LEU A 18 -8.880 -2.373 10.517 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.265 -4.252 10.178 1.00 0.00 C ATOM 0 H LEU A 18 -7.495 -1.582 6.651 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.563 -4.085 7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.985 -2.355 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.174 -4.047 8.302 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.027 -2.253 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.432 -2.186 11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.244 -1.435 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.712 -3.068 10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.838 -4.041 11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.058 -4.993 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.488 -4.640 9.520 1.00 0.00 H new ATOM 249 N GLN A 19 -8.847 -4.137 5.219 1.00 0.00 N ATOM 250 CA GLN A 19 -9.506 -4.996 4.241 1.00 0.00 C ATOM 251 C GLN A 19 -8.485 -5.685 3.342 1.00 0.00 C ATOM 252 O GLN A 19 -8.715 -6.797 2.863 1.00 0.00 O ATOM 253 CB GLN A 19 -10.481 -4.180 3.391 1.00 0.00 C ATOM 254 CG GLN A 19 -11.656 -3.623 4.178 1.00 0.00 C ATOM 255 CD GLN A 19 -12.533 -2.709 3.345 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.247 -3.162 2.450 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.484 -1.415 3.636 1.00 0.00 N ATOM 0 H GLN A 19 -9.046 -3.143 5.108 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.059 -5.762 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.942 -3.354 2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.860 -4.808 2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.257 -4.448 4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.282 -3.074 5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.878 -1.084 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.053 -0.752 3.109 1.00 0.00 H new ATOM 266 N LEU A 20 -7.357 -5.020 3.114 1.00 0.00 N ATOM 267 CA LEU A 20 -6.302 -5.570 2.269 1.00 0.00 C ATOM 268 C LEU A 20 -5.801 -6.903 2.818 1.00 0.00 C ATOM 269 O LEU A 20 -5.405 -7.788 2.059 1.00 0.00 O ATOM 270 CB LEU A 20 -5.140 -4.581 2.158 1.00 0.00 C ATOM 271 CG LEU A 20 -5.272 -3.548 1.038 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.387 -2.344 1.313 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.922 -4.173 -0.305 1.00 0.00 C ATOM 0 H LEU A 20 -7.150 -4.100 3.502 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.720 -5.742 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.040 -4.054 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.218 -5.143 2.006 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.308 -3.210 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.495 -1.621 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.683 -1.882 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.347 -2.664 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.021 -3.425 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.896 -4.539 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.598 -5.003 -0.507 1.00 0.00 H new ATOM 285 N TYR A 21 -5.820 -7.040 4.140 1.00 0.00 N ATOM 286 CA TYR A 21 -5.368 -8.266 4.787 1.00 0.00 C ATOM 287 C TYR A 21 -6.271 -9.439 4.427 1.00 0.00 C ATOM 288 O TYR A 21 -5.797 -10.545 4.167 1.00 0.00 O ATOM 289 CB TYR A 21 -5.332 -8.082 6.306 1.00 0.00 C ATOM 290 CG TYR A 21 -4.506 -6.898 6.754 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.240 -6.672 6.230 1.00 0.00 C ATOM 292 CD2 TYR A 21 -4.994 -6.005 7.700 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.482 -5.590 6.637 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.242 -4.920 8.112 1.00 0.00 C ATOM 295 CZ TYR A 21 -2.987 -4.719 7.578 1.00 0.00 C ATOM 296 OH TYR A 21 -2.235 -3.640 7.985 1.00 0.00 O ATOM 0 H TYR A 21 -6.143 -6.318 4.783 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.362 -8.485 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.351 -7.963 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.932 -8.987 6.764 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.841 -7.353 5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.977 -6.161 8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.499 -5.428 6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.636 -4.234 8.848 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.736 -3.125 8.651 1.00 0.00 H new ATOM 306 N LYS A 22 -7.577 -9.192 4.412 1.00 0.00 N ATOM 307 CA LYS A 22 -8.549 -10.229 4.084 1.00 0.00 C ATOM 308 C LYS A 22 -8.349 -10.732 2.657 1.00 0.00 C ATOM 309 O LYS A 22 -8.592 -11.902 2.361 1.00 0.00 O ATOM 310 CB LYS A 22 -9.972 -9.693 4.254 1.00 0.00 C ATOM 311 CG LYS A 22 -10.539 -9.904 5.648 1.00 0.00 C ATOM 312 CD LYS A 22 -11.313 -8.685 6.130 1.00 0.00 C ATOM 313 CE LYS A 22 -12.766 -9.024 6.424 1.00 0.00 C ATOM 314 NZ LYS A 22 -13.673 -8.568 5.334 1.00 0.00 N ATOM 0 H LYS A 22 -7.987 -8.282 4.623 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.398 -11.064 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.980 -8.627 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.624 -10.180 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.195 -10.775 5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.727 -10.118 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.843 -8.287 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.268 -7.902 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.868 -10.101 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.065 -8.559 7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.654 -8.817 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.594 -7.537 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.404 -9.031 4.442 1.00 0.00 H new ATOM 328 N LEU A 23 -7.905 -9.841 1.778 1.00 0.00 N ATOM 329 CA LEU A 23 -7.674 -10.195 0.381 1.00 0.00 C ATOM 330 C LEU A 23 -6.382 -10.991 0.227 1.00 0.00 C ATOM 331 O LEU A 23 -6.380 -12.087 -0.333 1.00 0.00 O ATOM 332 CB LEU A 23 -7.614 -8.934 -0.483 1.00 0.00 C ATOM 333 CG LEU A 23 -8.959 -8.244 -0.716 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.768 -6.746 -0.890 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.659 -8.839 -1.929 1.00 0.00 C ATOM 0 H LEU A 23 -7.698 -8.869 2.007 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.505 -10.817 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.934 -8.223 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.184 -9.195 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.587 -8.409 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.736 -6.273 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.309 -6.331 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.122 -6.559 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.614 -8.337 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.034 -8.704 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.831 -9.903 -1.765 1.00 0.00 H new ATOM 347 N LEU A 24 -5.285 -10.432 0.726 1.00 0.00 N ATOM 348 CA LEU A 24 -3.984 -11.088 0.643 1.00 0.00 C ATOM 349 C LEU A 24 -4.011 -12.451 1.330 1.00 0.00 C ATOM 350 O LEU A 24 -3.218 -13.334 1.006 1.00 0.00 O ATOM 351 CB LEU A 24 -2.905 -10.206 1.273 1.00 0.00 C ATOM 352 CG LEU A 24 -2.782 -8.805 0.670 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.886 -7.930 1.533 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.244 -8.884 -0.751 1.00 0.00 C ATOM 0 H LEU A 24 -5.270 -9.525 1.193 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.750 -11.241 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.112 -10.110 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.944 -10.711 1.180 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.774 -8.354 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.810 -6.937 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.311 -7.848 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.894 -8.376 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.163 -7.879 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.260 -9.354 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.923 -9.476 -1.365 1.00 0.00 H new ATOM 366 N GLU A 25 -4.928 -12.616 2.280 1.00 0.00 N ATOM 367 CA GLU A 25 -5.055 -13.872 3.012 1.00 0.00 C ATOM 368 C GLU A 25 -5.245 -15.049 2.056 1.00 0.00 C ATOM 369 O GLU A 25 -4.908 -16.187 2.384 1.00 0.00 O ATOM 370 CB GLU A 25 -6.230 -13.798 3.990 1.00 0.00 C ATOM 371 CG GLU A 25 -5.804 -13.725 5.447 1.00 0.00 C ATOM 372 CD GLU A 25 -6.716 -12.841 6.277 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.951 -12.986 6.161 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.193 -12.003 7.043 1.00 0.00 O ATOM 0 H GLU A 25 -5.594 -11.896 2.560 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.133 -14.031 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.835 -12.923 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.865 -14.673 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.794 -14.730 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.784 -13.345 5.505 1.00 0.00 H new ATOM 381 N ILE A 26 -5.788 -14.767 0.875 1.00 0.00 N ATOM 382 CA ILE A 26 -6.022 -15.803 -0.124 1.00 0.00 C ATOM 383 C ILE A 26 -4.703 -16.413 -0.601 1.00 0.00 C ATOM 384 O ILE A 26 -3.892 -15.736 -1.232 1.00 0.00 O ATOM 385 CB ILE A 26 -6.788 -15.245 -1.342 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.070 -14.543 -0.889 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.110 -16.361 -2.324 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.680 -13.655 -1.952 1.00 0.00 C ATOM 0 H ILE A 26 -6.074 -13.831 0.587 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.626 -16.575 0.353 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.154 -14.515 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.801 -15.295 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.853 -13.942 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.650 -15.950 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.184 -16.821 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.727 -17.112 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.585 -13.190 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.966 -12.881 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.929 -14.254 -2.828 1.00 0.00 H new ATOM 400 N PRO A 27 -4.468 -17.706 -0.305 1.00 0.00 N ATOM 401 CA PRO A 27 -3.239 -18.395 -0.711 1.00 0.00 C ATOM 402 C PRO A 27 -3.196 -18.667 -2.211 1.00 0.00 C ATOM 403 O PRO A 27 -3.162 -19.819 -2.644 1.00 0.00 O ATOM 404 CB PRO A 27 -3.297 -19.709 0.070 1.00 0.00 C ATOM 405 CG PRO A 27 -4.749 -19.952 0.289 1.00 0.00 C ATOM 406 CD PRO A 27 -5.378 -18.595 0.444 1.00 0.00 C ATOM 0 HA PRO A 27 -2.349 -17.800 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.839 -20.524 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.761 -19.632 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.186 -20.491 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.913 -20.562 1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.388 -18.572 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.451 -18.304 1.492 1.00 0.00 H new ATOM 414 N ASP A 28 -3.195 -17.598 -3.002 1.00 0.00 N ATOM 415 CA ASP A 28 -3.155 -17.722 -4.454 1.00 0.00 C ATOM 416 C ASP A 28 -1.812 -17.246 -5.004 1.00 0.00 C ATOM 417 O ASP A 28 -1.059 -16.559 -4.315 1.00 0.00 O ATOM 418 CB ASP A 28 -4.294 -16.919 -5.087 1.00 0.00 C ATOM 419 CG ASP A 28 -5.508 -17.775 -5.384 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.632 -18.862 -4.782 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.338 -17.358 -6.219 1.00 0.00 O ATOM 0 H ASP A 28 -3.221 -16.637 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.278 -18.775 -4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.580 -16.108 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.942 -16.460 -6.011 1.00 0.00 H new ATOM 426 N PRO A 29 -1.496 -17.607 -6.259 1.00 0.00 N ATOM 427 CA PRO A 29 -0.237 -17.212 -6.900 1.00 0.00 C ATOM 428 C PRO A 29 -0.186 -15.720 -7.208 1.00 0.00 C ATOM 429 O PRO A 29 0.872 -15.097 -7.132 1.00 0.00 O ATOM 430 CB PRO A 29 -0.226 -18.027 -8.197 1.00 0.00 C ATOM 431 CG PRO A 29 -1.663 -18.293 -8.488 1.00 0.00 C ATOM 432 CD PRO A 29 -2.339 -18.425 -7.152 1.00 0.00 C ATOM 0 HA PRO A 29 0.623 -17.399 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.247 -17.474 -9.009 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.332 -18.955 -8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.100 -17.480 -9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.780 -19.203 -9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.365 -18.058 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.381 -19.464 -6.824 1.00 0.00 H new ATOM 440 N ASP A 30 -1.337 -15.153 -7.555 1.00 0.00 N ATOM 441 CA ASP A 30 -1.424 -13.732 -7.874 1.00 0.00 C ATOM 442 C ASP A 30 -2.476 -13.043 -7.010 1.00 0.00 C ATOM 443 O ASP A 30 -3.092 -12.063 -7.429 1.00 0.00 O ATOM 444 CB ASP A 30 -1.757 -13.540 -9.353 1.00 0.00 C ATOM 445 CG ASP A 30 -0.795 -14.279 -10.264 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.554 -15.481 -10.022 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.282 -13.656 -11.217 1.00 0.00 O ATOM 0 H ASP A 30 -2.222 -15.655 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.455 -13.279 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.772 -13.889 -9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.735 -12.477 -9.592 1.00 0.00 H new ATOM 452 N LYS A 31 -2.677 -13.562 -5.803 1.00 0.00 N ATOM 453 CA LYS A 31 -3.655 -12.996 -4.882 1.00 0.00 C ATOM 454 C LYS A 31 -3.272 -13.287 -3.434 1.00 0.00 C ATOM 455 O LYS A 31 -4.136 -13.410 -2.566 1.00 0.00 O ATOM 456 CB LYS A 31 -5.048 -13.557 -5.176 1.00 0.00 C ATOM 457 CG LYS A 31 -5.844 -12.723 -6.167 1.00 0.00 C ATOM 458 CD LYS A 31 -7.135 -13.417 -6.567 1.00 0.00 C ATOM 459 CE LYS A 31 -7.519 -13.096 -8.002 1.00 0.00 C ATOM 460 NZ LYS A 31 -8.486 -14.084 -8.554 1.00 0.00 N ATOM 0 H LYS A 31 -2.176 -14.373 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.668 -11.915 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.948 -14.570 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.606 -13.628 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.073 -11.752 -5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.240 -12.536 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.020 -14.495 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.938 -13.109 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.955 -12.098 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.623 -13.080 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.722 -13.829 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.061 -15.033 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.352 -14.082 -7.978 1.00 0.00 H new ATOM 474 N ASN A 32 -1.972 -13.397 -3.181 1.00 0.00 N ATOM 475 CA ASN A 32 -1.475 -13.673 -1.837 1.00 0.00 C ATOM 476 C ASN A 32 -0.615 -12.521 -1.328 1.00 0.00 C ATOM 477 O ASN A 32 -0.134 -11.700 -2.108 1.00 0.00 O ATOM 478 CB ASN A 32 -0.667 -14.972 -1.827 1.00 0.00 C ATOM 479 CG ASN A 32 -0.219 -15.362 -0.432 1.00 0.00 C ATOM 480 OD1 ASN A 32 0.975 -15.504 -0.169 1.00 0.00 O ATOM 481 ND2 ASN A 32 -1.177 -15.540 0.470 1.00 0.00 N ATOM 0 H ASN A 32 -1.244 -13.299 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.333 -13.782 -1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.270 -15.775 -2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.207 -14.858 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.936 -15.805 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.154 -15.411 0.208 1.00 0.00 H new ATOM 488 N TRP A 33 -0.426 -12.467 -0.013 1.00 0.00 N ATOM 489 CA TRP A 33 0.376 -11.414 0.601 1.00 0.00 C ATOM 490 C TRP A 33 1.810 -11.451 0.084 1.00 0.00 C ATOM 491 O TRP A 33 2.398 -10.413 -0.221 1.00 0.00 O ATOM 492 CB TRP A 33 0.367 -11.560 2.124 1.00 0.00 C ATOM 493 CG TRP A 33 0.828 -12.906 2.594 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.044 -13.990 2.869 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.177 -13.311 2.846 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.826 -15.045 3.276 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.139 -14.652 3.270 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.417 -12.669 2.753 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.291 -15.362 3.600 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.559 -13.375 3.082 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.489 -14.710 3.500 1.00 0.00 C ATOM 0 H TRP A 33 -0.817 -13.139 0.647 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.063 -10.453 0.332 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.007 -10.792 2.559 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.643 -11.380 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.032 -14.015 2.780 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.485 -15.969 3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.481 -11.640 2.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.240 -16.391 3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.521 -12.889 3.016 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.399 -15.235 3.748 1.00 0.00 H new ATOM 512 N ALA A 34 2.368 -12.654 -0.012 1.00 0.00 N ATOM 513 CA ALA A 34 3.734 -12.827 -0.492 1.00 0.00 C ATOM 514 C ALA A 34 3.896 -12.269 -1.903 1.00 0.00 C ATOM 515 O ALA A 34 4.972 -11.800 -2.274 1.00 0.00 O ATOM 516 CB ALA A 34 4.122 -14.297 -0.457 1.00 0.00 C ATOM 0 H ALA A 34 1.895 -13.523 0.236 1.00 0.00 H new ATOM 0 HA ALA A 34 4.398 -12.270 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.144 -14.412 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.055 -14.667 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.446 -14.867 -1.094 1.00 0.00 H new ATOM 522 N THR A 35 2.823 -12.326 -2.683 1.00 0.00 N ATOM 523 CA THR A 35 2.847 -11.827 -4.053 1.00 0.00 C ATOM 524 C THR A 35 2.936 -10.304 -4.076 1.00 0.00 C ATOM 525 O THR A 35 3.677 -9.728 -4.872 1.00 0.00 O ATOM 526 CB THR A 35 1.600 -12.288 -4.808 1.00 0.00 C ATOM 527 OG1 THR A 35 1.331 -13.653 -4.544 1.00 0.00 O ATOM 528 CG2 THR A 35 1.713 -12.124 -6.308 1.00 0.00 C ATOM 0 H THR A 35 1.926 -12.713 -2.390 1.00 0.00 H new ATOM 0 HA THR A 35 3.731 -12.232 -4.545 1.00 0.00 H new ATOM 0 HB THR A 35 0.793 -11.649 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.164 -14.123 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.794 -12.470 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.872 -11.073 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.555 -12.711 -6.676 1.00 0.00 H new ATOM 536 N LEU A 36 2.177 -9.659 -3.197 1.00 0.00 N ATOM 537 CA LEU A 36 2.170 -8.202 -3.116 1.00 0.00 C ATOM 538 C LEU A 36 3.511 -7.679 -2.610 1.00 0.00 C ATOM 539 O LEU A 36 3.946 -6.591 -2.985 1.00 0.00 O ATOM 540 CB LEU A 36 1.044 -7.727 -2.195 1.00 0.00 C ATOM 541 CG LEU A 36 0.872 -6.208 -2.115 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.390 -5.655 -3.446 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.097 -5.843 -1.001 1.00 0.00 C ATOM 0 H LEU A 36 1.559 -10.121 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 36 2.001 -7.808 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.106 -8.166 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.230 -8.110 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 36 1.840 -5.761 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.273 -4.574 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.119 -5.888 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.569 -6.106 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.209 -4.760 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.067 -6.300 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.289 -6.207 -0.049 1.00 0.00 H new ATOM 555 N ALA A 37 4.160 -8.462 -1.756 1.00 0.00 N ATOM 556 CA ALA A 37 5.452 -8.078 -1.197 1.00 0.00 C ATOM 557 C ALA A 37 6.488 -7.879 -2.299 1.00 0.00 C ATOM 558 O ALA A 37 7.276 -6.935 -2.259 1.00 0.00 O ATOM 559 CB ALA A 37 5.929 -9.127 -0.205 1.00 0.00 C ATOM 0 H ALA A 37 3.814 -9.366 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 37 5.328 -7.129 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.894 -8.828 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.204 -9.219 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.031 -10.087 -0.711 1.00 0.00 H new ATOM 565 N GLN A 38 6.481 -8.774 -3.281 1.00 0.00 N ATOM 566 CA GLN A 38 7.420 -8.696 -4.393 1.00 0.00 C ATOM 567 C GLN A 38 7.098 -7.509 -5.295 1.00 0.00 C ATOM 568 O GLN A 38 7.996 -6.812 -5.765 1.00 0.00 O ATOM 569 CB GLN A 38 7.391 -9.992 -5.205 1.00 0.00 C ATOM 570 CG GLN A 38 8.106 -11.150 -4.530 1.00 0.00 C ATOM 571 CD GLN A 38 9.214 -11.733 -5.386 1.00 0.00 C ATOM 572 OE1 GLN A 38 9.252 -11.523 -6.598 1.00 0.00 O ATOM 573 NE2 GLN A 38 10.121 -12.471 -4.757 1.00 0.00 N ATOM 0 H GLN A 38 5.835 -9.562 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 38 8.420 -8.556 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.354 -10.273 -5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.848 -9.811 -6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.525 -10.810 -3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.383 -11.932 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.050 -12.618 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.889 -12.891 -5.281 1.00 0.00 H new ATOM 582 N LYS A 39 5.809 -7.285 -5.533 1.00 0.00 N ATOM 583 CA LYS A 39 5.368 -6.182 -6.379 1.00 0.00 C ATOM 584 C LYS A 39 5.755 -4.839 -5.767 1.00 0.00 C ATOM 585 O LYS A 39 6.377 -4.004 -6.422 1.00 0.00 O ATOM 586 CB LYS A 39 3.853 -6.246 -6.587 1.00 0.00 C ATOM 587 CG LYS A 39 3.447 -6.917 -7.889 1.00 0.00 C ATOM 588 CD LYS A 39 3.554 -8.431 -7.793 1.00 0.00 C ATOM 589 CE LYS A 39 3.680 -9.068 -9.167 1.00 0.00 C ATOM 590 NZ LYS A 39 5.088 -9.440 -9.480 1.00 0.00 N ATOM 0 H LYS A 39 5.052 -7.853 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 39 5.864 -6.276 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.402 -6.785 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.449 -5.234 -6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.423 -6.639 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.082 -6.557 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.419 -8.698 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.674 -8.828 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.051 -9.957 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.311 -8.375 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.131 -9.871 -10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.685 -8.588 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.433 -10.121 -8.773 1.00 0.00 H new ATOM 604 N LEU A 40 5.382 -4.640 -4.506 1.00 0.00 N ATOM 605 CA LEU A 40 5.691 -3.399 -3.806 1.00 0.00 C ATOM 606 C LEU A 40 7.198 -3.178 -3.728 1.00 0.00 C ATOM 607 O LEU A 40 7.705 -2.133 -4.135 1.00 0.00 O ATOM 608 CB LEU A 40 5.093 -3.421 -2.398 1.00 0.00 C ATOM 609 CG LEU A 40 3.566 -3.395 -2.343 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.082 -3.465 -0.903 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.030 -2.145 -3.026 1.00 0.00 C ATOM 0 H LEU A 40 4.866 -5.322 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 40 5.251 -2.575 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.445 -4.316 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.476 -2.564 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 40 3.188 -4.268 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.992 -3.445 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.436 -4.388 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.470 -2.612 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.941 -2.143 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.418 -1.260 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.347 -2.136 -4.069 1.00 0.00 H new ATOM 623 N GLY A 41 7.910 -4.170 -3.203 1.00 0.00 N ATOM 624 CA GLY A 41 9.351 -4.065 -3.081 1.00 0.00 C ATOM 625 C GLY A 41 9.852 -4.502 -1.718 1.00 0.00 C ATOM 626 O GLY A 41 10.706 -3.845 -1.123 1.00 0.00 O ATOM 0 H GLY A 41 7.514 -5.045 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.823 -4.676 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.654 -3.034 -3.262 1.00 0.00 H new ATOM 630 N LEU A 42 9.320 -5.614 -1.223 1.00 0.00 N ATOM 631 CA LEU A 42 9.718 -6.139 0.079 1.00 0.00 C ATOM 632 C LEU A 42 9.887 -7.653 0.027 1.00 0.00 C ATOM 633 O LEU A 42 9.656 -8.349 1.016 1.00 0.00 O ATOM 634 CB LEU A 42 8.682 -5.765 1.141 1.00 0.00 C ATOM 635 CG LEU A 42 8.547 -4.267 1.414 1.00 0.00 C ATOM 636 CD1 LEU A 42 7.341 -3.992 2.299 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.815 -3.727 2.057 1.00 0.00 C ATOM 0 H LEU A 42 8.612 -6.170 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 42 10.677 -5.694 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.711 -6.151 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.942 -6.267 2.073 1.00 0.00 H new ATOM 0 HG LEU A 42 8.398 -3.756 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.261 -2.921 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.437 -4.343 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.459 -4.515 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.702 -2.659 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.993 -4.244 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.660 -3.890 1.388 1.00 0.00 H new ATOM 649 N GLY A 43 10.293 -8.158 -1.133 1.00 0.00 N ATOM 650 CA GLY A 43 10.488 -9.588 -1.292 1.00 0.00 C ATOM 651 C GLY A 43 11.663 -10.106 -0.489 1.00 0.00 C ATOM 652 O GLY A 43 11.686 -11.271 -0.089 1.00 0.00 O ATOM 0 H GLY A 43 10.491 -7.603 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.583 -10.111 -0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.644 -9.815 -2.347 1.00 0.00 H new ATOM 656 N ILE A 44 12.643 -9.241 -0.252 1.00 0.00 N ATOM 657 CA ILE A 44 13.829 -9.617 0.510 1.00 0.00 C ATOM 658 C ILE A 44 13.477 -9.910 1.966 1.00 0.00 C ATOM 659 O ILE A 44 14.128 -10.723 2.620 1.00 0.00 O ATOM 660 CB ILE A 44 14.903 -8.511 0.457 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.183 -8.977 1.156 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.382 -7.229 1.091 1.00 0.00 C ATOM 663 CD1 ILE A 44 16.998 -9.954 0.337 1.00 0.00 C ATOM 0 H ILE A 44 12.640 -8.274 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 44 14.230 -10.521 0.051 1.00 0.00 H new ATOM 0 HB ILE A 44 15.136 -8.305 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.798 -8.107 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.920 -9.443 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.153 -6.460 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.498 -6.889 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.121 -7.418 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.890 -10.241 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.400 -10.841 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.292 -9.485 -0.602 1.00 0.00 H new ATOM 675 N LEU A 45 12.443 -9.240 2.466 1.00 0.00 N ATOM 676 CA LEU A 45 12.005 -9.429 3.845 1.00 0.00 C ATOM 677 C LEU A 45 10.739 -10.276 3.904 1.00 0.00 C ATOM 678 O LEU A 45 9.901 -10.098 4.788 1.00 0.00 O ATOM 679 CB LEU A 45 11.759 -8.076 4.514 1.00 0.00 C ATOM 680 CG LEU A 45 12.863 -7.039 4.304 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.341 -5.639 4.590 1.00 0.00 C ATOM 682 CD2 LEU A 45 14.062 -7.353 5.186 1.00 0.00 C ATOM 0 H LEU A 45 11.893 -8.562 1.938 1.00 0.00 H new ATOM 0 HA LEU A 45 12.796 -9.954 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.821 -7.667 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.630 -8.235 5.585 1.00 0.00 H new ATOM 0 HG LEU A 45 13.182 -7.080 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.140 -4.914 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.513 -5.415 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.995 -5.583 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.838 -6.605 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.757 -7.339 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.450 -8.340 4.934 1.00 0.00 H new ATOM 694 N ASN A 46 10.604 -11.199 2.956 1.00 0.00 N ATOM 695 CA ASN A 46 9.438 -12.073 2.901 1.00 0.00 C ATOM 696 C ASN A 46 9.489 -13.116 4.014 1.00 0.00 C ATOM 697 O ASN A 46 8.475 -13.411 4.647 1.00 0.00 O ATOM 698 CB ASN A 46 9.358 -12.765 1.537 1.00 0.00 C ATOM 699 CG ASN A 46 8.266 -12.185 0.659 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.811 -11.062 0.876 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.841 -12.950 -0.339 1.00 0.00 N ATOM 0 H ASN A 46 11.287 -11.360 2.216 1.00 0.00 H new ATOM 0 HA ASN A 46 8.547 -11.461 3.042 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.318 -12.672 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.176 -13.830 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.108 -12.613 -0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.247 -13.875 -0.481 1.00 0.00 H new ATOM 708 N ASN A 47 10.674 -13.670 4.245 1.00 0.00 N ATOM 709 CA ASN A 47 10.857 -14.680 5.282 1.00 0.00 C ATOM 710 C ASN A 47 10.489 -14.124 6.654 1.00 0.00 C ATOM 711 O ASN A 47 10.021 -14.856 7.526 1.00 0.00 O ATOM 712 CB ASN A 47 12.304 -15.175 5.291 1.00 0.00 C ATOM 713 CG ASN A 47 12.454 -16.508 5.995 1.00 0.00 C ATOM 714 OD1 ASN A 47 11.701 -17.448 5.739 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.432 -16.599 6.890 1.00 0.00 N ATOM 0 H ASN A 47 11.522 -13.437 3.729 1.00 0.00 H new ATOM 0 HA ASN A 47 10.195 -15.517 5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.660 -15.267 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.935 -14.435 5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.581 -17.472 7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.033 -15.795 7.072 1.00 0.00 H new ATOM 722 N ALA A 48 10.705 -12.826 6.838 1.00 0.00 N ATOM 723 CA ALA A 48 10.395 -12.172 8.105 1.00 0.00 C ATOM 724 C ALA A 48 8.893 -12.157 8.363 1.00 0.00 C ATOM 725 O ALA A 48 8.441 -12.417 9.477 1.00 0.00 O ATOM 726 CB ALA A 48 10.949 -10.756 8.117 1.00 0.00 C ATOM 0 H ALA A 48 11.093 -12.206 6.127 1.00 0.00 H new ATOM 0 HA ALA A 48 10.868 -12.742 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.710 -10.280 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.031 -10.787 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.503 -10.184 7.303 1.00 0.00 H new ATOM 732 N PHE A 49 8.122 -11.848 7.323 1.00 0.00 N ATOM 733 CA PHE A 49 6.669 -11.798 7.438 1.00 0.00 C ATOM 734 C PHE A 49 6.084 -13.200 7.576 1.00 0.00 C ATOM 735 O PHE A 49 5.072 -13.398 8.247 1.00 0.00 O ATOM 736 CB PHE A 49 6.064 -11.099 6.219 1.00 0.00 C ATOM 737 CG PHE A 49 6.713 -9.783 5.898 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.818 -8.793 6.862 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.219 -9.537 4.632 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.415 -7.581 6.570 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.817 -8.326 4.333 1.00 0.00 C ATOM 742 CZ PHE A 49 7.914 -7.348 5.303 1.00 0.00 C ATOM 0 H PHE A 49 8.480 -11.629 6.393 1.00 0.00 H new ATOM 0 HA PHE A 49 6.421 -11.231 8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.148 -11.757 5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.000 -10.937 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.429 -8.971 7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.146 -10.299 3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.491 -6.818 7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.207 -8.146 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.380 -6.402 5.071 1.00 0.00 H new ATOM 752 N ARG A 50 6.729 -14.169 6.935 1.00 0.00 N ATOM 753 CA ARG A 50 6.271 -15.554 6.985 1.00 0.00 C ATOM 754 C ARG A 50 6.283 -16.079 8.417 1.00 0.00 C ATOM 755 O ARG A 50 5.312 -16.683 8.875 1.00 0.00 O ATOM 756 CB ARG A 50 7.151 -16.436 6.094 1.00 0.00 C ATOM 757 CG ARG A 50 6.359 -17.371 5.194 1.00 0.00 C ATOM 758 CD ARG A 50 6.985 -18.755 5.138 1.00 0.00 C ATOM 759 NE ARG A 50 6.192 -19.683 4.336 1.00 0.00 N ATOM 760 CZ ARG A 50 6.119 -19.641 3.008 1.00 0.00 C ATOM 761 NH1 ARG A 50 6.793 -18.720 2.329 1.00 0.00 N ATOM 762 NH2 ARG A 50 5.373 -20.521 2.356 1.00 0.00 N ATOM 0 H ARG A 50 7.569 -14.022 6.376 1.00 0.00 H new ATOM 0 HA ARG A 50 5.246 -15.587 6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.783 -15.798 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.815 -17.027 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.335 -17.448 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.308 -16.953 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.989 -18.682 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.088 -19.147 6.150 1.00 0.00 H new ATOM 0 HE ARG A 50 5.663 -20.406 4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.370 -18.041 2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.734 -18.692 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.854 -21.231 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.318 -20.488 1.338 1.00 0.00 H new ATOM 776 N LEU A 51 7.386 -15.846 9.120 1.00 0.00 N ATOM 777 CA LEU A 51 7.523 -16.294 10.501 1.00 0.00 C ATOM 778 C LEU A 51 6.440 -15.679 11.383 1.00 0.00 C ATOM 779 O LEU A 51 5.991 -16.292 12.351 1.00 0.00 O ATOM 780 CB LEU A 51 8.906 -15.932 11.043 1.00 0.00 C ATOM 781 CG LEU A 51 10.081 -16.548 10.284 1.00 0.00 C ATOM 782 CD1 LEU A 51 11.343 -15.727 10.496 1.00 0.00 C ATOM 783 CD2 LEU A 51 10.300 -17.989 10.722 1.00 0.00 C ATOM 0 H LEU A 51 8.199 -15.349 8.756 1.00 0.00 H new ATOM 0 HA LEU A 51 7.407 -17.378 10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.013 -14.847 11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.964 -16.244 12.086 1.00 0.00 H new ATOM 0 HG LEU A 51 9.845 -16.544 9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.169 -16.181 9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.182 -14.712 10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.585 -15.699 11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.140 -18.413 10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.515 -18.016 11.790 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.402 -18.572 10.518 1.00 0.00 H new ATOM 795 N SER A 52 6.027 -14.463 11.040 1.00 0.00 N ATOM 796 CA SER A 52 4.998 -13.763 11.800 1.00 0.00 C ATOM 797 C SER A 52 3.649 -14.467 11.665 1.00 0.00 C ATOM 798 O SER A 52 3.406 -15.178 10.689 1.00 0.00 O ATOM 799 CB SER A 52 4.880 -12.314 11.321 1.00 0.00 C ATOM 800 OG SER A 52 6.149 -11.784 10.982 1.00 0.00 O ATOM 0 H SER A 52 6.389 -13.942 10.241 1.00 0.00 H new ATOM 0 HA SER A 52 5.288 -13.770 12.851 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.220 -12.267 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.425 -11.705 12.102 1.00 0.00 H new ATOM 0 HG SER A 52 6.153 -10.817 11.142 1.00 0.00 H new ATOM 806 N PRO A 53 2.750 -14.277 12.646 1.00 0.00 N ATOM 807 CA PRO A 53 1.420 -14.898 12.629 1.00 0.00 C ATOM 808 C PRO A 53 0.560 -14.386 11.479 1.00 0.00 C ATOM 809 O PRO A 53 -0.259 -15.121 10.928 1.00 0.00 O ATOM 810 CB PRO A 53 0.813 -14.489 13.975 1.00 0.00 C ATOM 811 CG PRO A 53 1.563 -13.269 14.382 1.00 0.00 C ATOM 812 CD PRO A 53 2.955 -13.444 13.843 1.00 0.00 C ATOM 0 HA PRO A 53 1.477 -15.977 12.486 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.253 -14.284 13.881 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.921 -15.283 14.714 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.097 -12.371 13.977 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.575 -13.161 15.467 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.414 -12.487 13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.608 -13.932 14.566 1.00 0.00 H new ATOM 820 N ALA A 54 0.752 -13.120 11.122 1.00 0.00 N ATOM 821 CA ALA A 54 -0.006 -12.510 10.036 1.00 0.00 C ATOM 822 C ALA A 54 0.917 -11.768 9.072 1.00 0.00 C ATOM 823 O ALA A 54 1.101 -10.556 9.185 1.00 0.00 O ATOM 824 CB ALA A 54 -1.059 -11.565 10.594 1.00 0.00 C ATOM 0 H ALA A 54 1.425 -12.497 11.569 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.505 -13.305 9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.617 -11.117 9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.742 -12.120 11.237 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.573 -10.780 11.173 1.00 0.00 H new ATOM 830 N PRO A 55 1.511 -12.491 8.108 1.00 0.00 N ATOM 831 CA PRO A 55 2.419 -11.899 7.121 1.00 0.00 C ATOM 832 C PRO A 55 1.814 -10.678 6.436 1.00 0.00 C ATOM 833 O PRO A 55 2.506 -9.694 6.173 1.00 0.00 O ATOM 834 CB PRO A 55 2.631 -13.028 6.111 1.00 0.00 C ATOM 835 CG PRO A 55 2.397 -14.278 6.887 1.00 0.00 C ATOM 836 CD PRO A 55 1.343 -13.943 7.905 1.00 0.00 C ATOM 0 HA PRO A 55 3.341 -11.540 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.938 -12.946 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.638 -13.003 5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.066 -15.086 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.314 -14.614 7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.344 -14.185 7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.489 -14.498 8.832 1.00 0.00 H new ATOM 844 N SER A 56 0.519 -10.749 6.149 1.00 0.00 N ATOM 845 CA SER A 56 -0.181 -9.649 5.494 1.00 0.00 C ATOM 846 C SER A 56 -0.296 -8.446 6.424 1.00 0.00 C ATOM 847 O SER A 56 -0.293 -7.300 5.974 1.00 0.00 O ATOM 848 CB SER A 56 -1.572 -10.098 5.046 1.00 0.00 C ATOM 849 OG SER A 56 -1.579 -11.474 4.704 1.00 0.00 O ATOM 0 H SER A 56 -0.068 -11.556 6.359 1.00 0.00 H new ATOM 0 HA SER A 56 0.397 -9.353 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.291 -9.915 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.890 -9.505 4.188 1.00 0.00 H new ATOM 0 HG SER A 56 -2.480 -11.737 4.422 1.00 0.00 H new ATOM 855 N LYS A 57 -0.398 -8.713 7.721 1.00 0.00 N ATOM 856 CA LYS A 57 -0.515 -7.652 8.714 1.00 0.00 C ATOM 857 C LYS A 57 0.835 -6.987 8.963 1.00 0.00 C ATOM 858 O LYS A 57 0.904 -5.797 9.273 1.00 0.00 O ATOM 859 CB LYS A 57 -1.072 -8.209 10.026 1.00 0.00 C ATOM 860 CG LYS A 57 -1.765 -7.164 10.885 1.00 0.00 C ATOM 861 CD LYS A 57 -2.679 -7.807 11.915 1.00 0.00 C ATOM 862 CE LYS A 57 -4.126 -7.818 11.448 1.00 0.00 C ATOM 863 NZ LYS A 57 -5.070 -8.066 12.571 1.00 0.00 N ATOM 0 H LYS A 57 -0.402 -9.656 8.110 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.203 -6.901 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.778 -9.009 9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.257 -8.654 10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.017 -6.553 11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.345 -6.495 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.350 -8.828 12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.604 -7.265 12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.363 -6.863 10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.256 -8.588 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.046 -8.066 12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.861 -8.988 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.964 -7.317 13.285 1.00 0.00 H new ATOM 877 N THR A 58 1.905 -7.762 8.826 1.00 0.00 N ATOM 878 CA THR A 58 3.254 -7.248 9.037 1.00 0.00 C ATOM 879 C THR A 58 3.734 -6.460 7.821 1.00 0.00 C ATOM 880 O THR A 58 4.532 -5.532 7.946 1.00 0.00 O ATOM 881 CB THR A 58 4.220 -8.396 9.329 1.00 0.00 C ATOM 882 OG1 THR A 58 3.602 -9.378 10.142 1.00 0.00 O ATOM 883 CG2 THR A 58 5.486 -7.950 10.028 1.00 0.00 C ATOM 0 H THR A 58 1.865 -8.748 8.570 1.00 0.00 H new ATOM 0 HA THR A 58 3.229 -6.576 9.895 1.00 0.00 H new ATOM 0 HB THR A 58 4.487 -8.803 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.245 -9.705 10.805 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.127 -8.813 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.013 -7.229 9.402 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.231 -7.485 10.981 1.00 0.00 H new ATOM 891 N LEU A 59 3.241 -6.838 6.645 1.00 0.00 N ATOM 892 CA LEU A 59 3.620 -6.168 5.406 1.00 0.00 C ATOM 893 C LEU A 59 3.278 -4.683 5.461 1.00 0.00 C ATOM 894 O LEU A 59 4.158 -3.828 5.361 1.00 0.00 O ATOM 895 CB LEU A 59 2.918 -6.821 4.214 1.00 0.00 C ATOM 896 CG LEU A 59 3.533 -6.511 2.848 1.00 0.00 C ATOM 897 CD1 LEU A 59 4.816 -7.303 2.650 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.540 -6.814 1.737 1.00 0.00 C ATOM 0 H LEU A 59 2.579 -7.604 6.525 1.00 0.00 H new ATOM 0 HA LEU A 59 4.699 -6.268 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.919 -7.901 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.876 -6.502 4.207 1.00 0.00 H new ATOM 0 HG LEU A 59 3.776 -5.449 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.240 -7.070 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.531 -7.038 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.598 -8.369 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.994 -6.588 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.266 -7.869 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.647 -6.203 1.870 1.00 0.00 H new ATOM 910 N MET A 60 1.992 -4.382 5.621 1.00 0.00 N ATOM 911 CA MET A 60 1.533 -2.999 5.690 1.00 0.00 C ATOM 912 C MET A 60 2.190 -2.264 6.854 1.00 0.00 C ATOM 913 O MET A 60 2.408 -1.054 6.793 1.00 0.00 O ATOM 914 CB MET A 60 0.011 -2.954 5.837 1.00 0.00 C ATOM 915 CG MET A 60 -0.731 -3.619 4.690 1.00 0.00 C ATOM 916 SD MET A 60 -0.639 -2.672 3.159 1.00 0.00 S ATOM 917 CE MET A 60 -0.983 -3.947 1.949 1.00 0.00 C ATOM 0 H MET A 60 1.250 -5.077 5.705 1.00 0.00 H new ATOM 0 HA MET A 60 1.818 -2.501 4.763 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.270 -3.441 6.771 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.308 -1.914 5.911 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.317 -4.613 4.523 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.777 -3.752 4.968 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.926 -3.522 0.947 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.250 -4.748 2.046 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.983 -4.348 2.117 1.00 0.00 H new ATOM 927 N ASP A 61 2.504 -3.003 7.913 1.00 0.00 N ATOM 928 CA ASP A 61 3.137 -2.421 9.091 1.00 0.00 C ATOM 929 C ASP A 61 4.590 -2.054 8.802 1.00 0.00 C ATOM 930 O ASP A 61 5.126 -1.104 9.373 1.00 0.00 O ATOM 931 CB ASP A 61 3.066 -3.397 10.268 1.00 0.00 C ATOM 932 CG ASP A 61 2.250 -2.852 11.423 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.571 -1.747 11.907 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.288 -3.530 11.843 1.00 0.00 O ATOM 0 H ASP A 61 2.330 -4.006 7.980 1.00 0.00 H new ATOM 0 HA ASP A 61 2.598 -1.510 9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.630 -4.337 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.076 -3.619 10.613 1.00 0.00 H new ATOM 939 N ASN A 62 5.222 -2.813 7.911 1.00 0.00 N ATOM 940 CA ASN A 62 6.611 -2.567 7.547 1.00 0.00 C ATOM 941 C ASN A 62 6.704 -1.609 6.364 1.00 0.00 C ATOM 942 O ASN A 62 7.659 -0.841 6.247 1.00 0.00 O ATOM 943 CB ASN A 62 7.311 -3.885 7.205 1.00 0.00 C ATOM 944 CG ASN A 62 7.831 -4.599 8.437 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.039 -4.766 8.607 1.00 0.00 O ATOM 946 ND2 ASN A 62 6.920 -5.025 9.304 1.00 0.00 N ATOM 0 H ASN A 62 4.793 -3.603 7.429 1.00 0.00 H new ATOM 0 HA ASN A 62 7.108 -2.109 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.615 -4.537 6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.140 -3.687 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.211 -5.512 10.151 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.929 -4.865 9.123 1.00 0.00 H new ATOM 953 N TYR A 63 5.705 -1.658 5.489 1.00 0.00 N ATOM 954 CA TYR A 63 5.673 -0.794 4.315 1.00 0.00 C ATOM 955 C TYR A 63 5.508 0.668 4.717 1.00 0.00 C ATOM 956 O TYR A 63 5.994 1.569 4.033 1.00 0.00 O ATOM 957 CB TYR A 63 4.536 -1.209 3.381 1.00 0.00 C ATOM 958 CG TYR A 63 4.684 -0.682 1.971 1.00 0.00 C ATOM 959 CD1 TYR A 63 5.788 -1.015 1.198 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.719 0.148 1.415 1.00 0.00 C ATOM 961 CE1 TYR A 63 5.928 -0.535 -0.090 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.851 0.631 0.127 1.00 0.00 C ATOM 963 CZ TYR A 63 4.957 0.287 -0.621 1.00 0.00 C ATOM 964 OH TYR A 63 5.092 0.766 -1.904 1.00 0.00 O ATOM 0 H TYR A 63 4.906 -2.287 5.571 1.00 0.00 H new ATOM 0 HA TYR A 63 6.623 -0.902 3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.483 -2.297 3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.591 -0.856 3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.550 -1.660 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.852 0.420 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.794 -0.802 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.092 1.275 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 63 5.003 1.742 -1.900 1.00 0.00 H new ATOM 974 N GLU A 64 4.820 0.897 5.830 1.00 0.00 N ATOM 975 CA GLU A 64 4.591 2.250 6.323 1.00 0.00 C ATOM 976 C GLU A 64 5.874 2.850 6.888 1.00 0.00 C ATOM 977 O GLU A 64 6.215 3.996 6.600 1.00 0.00 O ATOM 978 CB GLU A 64 3.501 2.247 7.396 1.00 0.00 C ATOM 979 CG GLU A 64 2.935 3.627 7.692 1.00 0.00 C ATOM 980 CD GLU A 64 1.436 3.702 7.480 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.733 2.744 7.861 1.00 0.00 O ATOM 982 OE2 GLU A 64 0.963 4.721 6.931 1.00 0.00 O ATOM 0 H GLU A 64 4.411 0.163 6.408 1.00 0.00 H new ATOM 0 HA GLU A 64 4.264 2.864 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.690 1.592 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.909 1.826 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.166 3.897 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.425 4.361 7.053 1.00 0.00 H new ATOM 989 N VAL A 65 6.583 2.065 7.694 1.00 0.00 N ATOM 990 CA VAL A 65 7.830 2.518 8.299 1.00 0.00 C ATOM 991 C VAL A 65 8.900 2.760 7.239 1.00 0.00 C ATOM 992 O VAL A 65 9.788 3.594 7.419 1.00 0.00 O ATOM 993 CB VAL A 65 8.360 1.500 9.327 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.580 2.052 10.050 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.269 1.126 10.318 1.00 0.00 C ATOM 0 H VAL A 65 6.315 1.113 7.943 1.00 0.00 H new ATOM 0 HA VAL A 65 7.611 3.456 8.810 1.00 0.00 H new ATOM 0 HB VAL A 65 8.661 0.598 8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.939 1.318 10.771 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.367 2.264 9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.310 2.970 10.571 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.661 0.406 11.036 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.934 2.019 10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.428 0.684 9.784 1.00 0.00 H new ATOM 1005 N SER A 66 8.810 2.026 6.134 1.00 0.00 N ATOM 1006 CA SER A 66 9.772 2.162 5.046 1.00 0.00 C ATOM 1007 C SER A 66 9.234 3.081 3.955 1.00 0.00 C ATOM 1008 O SER A 66 9.437 2.835 2.766 1.00 0.00 O ATOM 1009 CB SER A 66 10.103 0.789 4.457 1.00 0.00 C ATOM 1010 OG SER A 66 9.051 0.322 3.631 1.00 0.00 O ATOM 0 H SER A 66 8.081 1.332 5.969 1.00 0.00 H new ATOM 0 HA SER A 66 10.682 2.605 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.024 0.851 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.280 0.077 5.263 1.00 0.00 H new ATOM 0 HG SER A 66 9.027 0.847 2.804 1.00 0.00 H new ATOM 1016 N GLY A 67 8.547 4.143 4.366 1.00 0.00 N ATOM 1017 CA GLY A 67 7.992 5.083 3.411 1.00 0.00 C ATOM 1018 C GLY A 67 6.484 4.973 3.298 1.00 0.00 C ATOM 1019 O GLY A 67 5.754 5.831 3.794 1.00 0.00 O ATOM 0 H GLY A 67 8.365 4.369 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.258 6.097 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.440 4.909 2.433 1.00 0.00 H new ATOM 1023 N GLY A 68 6.017 3.914 2.645 1.00 0.00 N ATOM 1024 CA GLY A 68 4.590 3.715 2.481 1.00 0.00 C ATOM 1025 C GLY A 68 3.987 4.656 1.456 1.00 0.00 C ATOM 1026 O GLY A 68 3.794 5.840 1.729 1.00 0.00 O ATOM 0 H GLY A 68 6.602 3.190 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.402 2.685 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.093 3.861 3.440 1.00 0.00 H new ATOM 1030 N THR A 69 3.691 4.127 0.272 1.00 0.00 N ATOM 1031 CA THR A 69 3.108 4.928 -0.798 1.00 0.00 C ATOM 1032 C THR A 69 1.830 4.282 -1.325 1.00 0.00 C ATOM 1033 O THR A 69 1.673 3.062 -1.276 1.00 0.00 O ATOM 1034 CB THR A 69 4.111 5.103 -1.938 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.800 3.891 -2.191 1.00 0.00 O ATOM 1036 CG2 THR A 69 5.148 6.171 -1.665 1.00 0.00 C ATOM 0 H THR A 69 3.845 3.148 0.030 1.00 0.00 H new ATOM 0 HA THR A 69 2.859 5.908 -0.390 1.00 0.00 H new ATOM 0 HB THR A 69 3.517 5.408 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.316 3.975 -3.020 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.828 6.243 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.652 7.130 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.712 5.910 -0.769 1.00 0.00 H new ATOM 1044 N VAL A 70 0.919 5.109 -1.829 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.345 4.618 -2.365 1.00 0.00 C ATOM 1046 C VAL A 70 -0.233 4.324 -3.857 1.00 0.00 C ATOM 1047 O VAL A 70 -0.869 3.402 -4.367 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.484 5.630 -2.136 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -2.825 5.020 -2.512 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.493 6.107 -0.692 1.00 0.00 C ATOM 0 H VAL A 70 1.033 6.121 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.577 3.696 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.312 6.494 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.617 5.750 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.813 4.734 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.008 4.138 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.304 6.821 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.639 5.255 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.542 6.588 -0.462 1.00 0.00 H new ATOM 1060 N ARG A 71 0.580 5.114 -4.552 1.00 0.00 N ATOM 1061 CA ARG A 71 0.774 4.937 -5.987 1.00 0.00 C ATOM 1062 C ARG A 71 1.301 3.540 -6.298 1.00 0.00 C ATOM 1063 O ARG A 71 0.969 2.957 -7.330 1.00 0.00 O ATOM 1064 CB ARG A 71 1.744 5.994 -6.523 1.00 0.00 C ATOM 1065 CG ARG A 71 1.049 7.197 -7.142 1.00 0.00 C ATOM 1066 CD ARG A 71 1.176 7.198 -8.658 1.00 0.00 C ATOM 1067 NE ARG A 71 0.480 6.066 -9.265 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.722 5.620 -10.496 1.00 0.00 C ATOM 1069 NH1 ARG A 71 1.639 6.208 -11.254 1.00 0.00 N ATOM 1070 NH2 ARG A 71 0.044 4.583 -10.971 1.00 0.00 N ATOM 0 H ARG A 71 1.114 5.882 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.192 5.056 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.385 6.334 -5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.393 5.535 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.005 7.192 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.480 8.114 -6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.771 8.129 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.230 7.166 -8.934 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.233 5.589 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.163 7.006 -10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.820 5.862 -12.196 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.662 4.128 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.229 4.241 -11.914 1.00 0.00 H new ATOM 1084 N GLU A 72 2.121 3.010 -5.398 1.00 0.00 N ATOM 1085 CA GLU A 72 2.693 1.679 -5.576 1.00 0.00 C ATOM 1086 C GLU A 72 1.690 0.600 -5.183 1.00 0.00 C ATOM 1087 O GLU A 72 1.656 -0.477 -5.778 1.00 0.00 O ATOM 1088 CB GLU A 72 3.968 1.534 -4.744 1.00 0.00 C ATOM 1089 CG GLU A 72 5.185 2.192 -5.375 1.00 0.00 C ATOM 1090 CD GLU A 72 6.462 1.912 -4.607 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.776 0.723 -4.391 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.148 2.882 -4.223 1.00 0.00 O ATOM 0 H GLU A 72 2.405 3.480 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 72 2.940 1.554 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.800 1.969 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.175 0.474 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.296 1.836 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.025 3.269 -5.427 1.00 0.00 H new ATOM 1099 N LEU A 73 0.874 0.897 -4.177 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.131 -0.047 -3.704 1.00 0.00 C ATOM 1101 C LEU A 73 -1.199 -0.282 -4.767 1.00 0.00 C ATOM 1102 O LEU A 73 -1.577 -1.421 -5.040 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.779 0.470 -2.418 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.789 -0.482 -1.775 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -1.089 -1.720 -1.238 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.552 0.224 -0.665 1.00 0.00 C ATOM 0 H LEU A 73 0.889 1.784 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 73 0.365 -0.996 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.007 0.685 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.279 1.414 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.502 -0.795 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.824 -2.385 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.587 -2.237 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.354 -1.426 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.266 -0.467 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.852 0.566 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.085 1.080 -1.078 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.680 0.803 -5.365 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.704 0.714 -6.400 1.00 0.00 C ATOM 1120 C VAL A 74 -2.146 0.077 -7.669 1.00 0.00 C ATOM 1121 O VAL A 74 -2.867 -0.595 -8.406 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.277 2.102 -6.744 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.467 1.971 -7.682 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.666 2.849 -5.476 1.00 0.00 C ATOM 0 H VAL A 74 -1.378 1.753 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.503 0.088 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.505 2.678 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.858 2.962 -7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.152 1.481 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.245 1.377 -7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.069 3.827 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.422 2.279 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.787 2.976 -4.845 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.859 0.294 -7.916 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.204 -0.260 -9.096 1.00 0.00 C ATOM 1136 C GLU A 75 0.122 -1.735 -8.894 1.00 0.00 C ATOM 1137 O GLU A 75 -0.061 -2.551 -9.798 1.00 0.00 O ATOM 1138 CB GLU A 75 1.076 0.519 -9.406 1.00 0.00 C ATOM 1139 CG GLU A 75 0.859 1.701 -10.337 1.00 0.00 C ATOM 1140 CD GLU A 75 2.149 2.419 -10.678 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.123 2.289 -9.907 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.186 3.115 -11.716 1.00 0.00 O ATOM 0 H GLU A 75 -0.249 0.849 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.890 -0.170 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.508 0.878 -8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.803 -0.157 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.387 1.353 -11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.169 2.404 -9.871 1.00 0.00 H new ATOM 1149 N ALA A 76 0.605 -2.072 -7.702 1.00 0.00 N ATOM 1150 CA ALA A 76 0.955 -3.450 -7.380 1.00 0.00 C ATOM 1151 C ALA A 76 -0.269 -4.357 -7.448 1.00 0.00 C ATOM 1152 O ALA A 76 -0.213 -5.451 -8.011 1.00 0.00 O ATOM 1153 CB ALA A 76 1.594 -3.523 -6.002 1.00 0.00 C ATOM 0 H ALA A 76 0.763 -1.409 -6.943 1.00 0.00 H new ATOM 0 HA ALA A 76 1.674 -3.800 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.850 -4.558 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.498 -2.914 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.893 -3.150 -5.256 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.374 -3.895 -6.871 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.612 -4.664 -6.866 1.00 0.00 C ATOM 1161 C LEU A 77 -3.107 -4.906 -8.289 1.00 0.00 C ATOM 1162 O LEU A 77 -3.724 -5.931 -8.577 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.687 -3.936 -6.058 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.401 -3.815 -4.560 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.391 -2.865 -3.903 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.452 -5.183 -3.896 1.00 0.00 C ATOM 0 H LEU A 77 -1.437 -2.992 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.409 -5.629 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.814 -2.935 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.635 -4.458 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.398 -3.408 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.172 -2.791 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.307 -1.879 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.404 -3.243 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.246 -5.078 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.442 -5.617 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.704 -5.835 -4.348 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.832 -3.953 -9.175 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.249 -4.063 -10.568 1.00 0.00 C ATOM 1180 C ARG A 78 -2.357 -5.039 -11.328 1.00 0.00 C ATOM 1181 O ARG A 78 -2.817 -5.746 -12.225 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.214 -2.689 -11.242 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.363 -2.457 -12.209 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.216 -1.133 -12.942 1.00 0.00 C ATOM 1185 NE ARG A 78 -3.138 -1.170 -13.928 1.00 0.00 N ATOM 1186 CZ ARG A 78 -2.961 -0.244 -14.868 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -3.786 0.792 -14.952 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -1.956 -0.354 -15.724 1.00 0.00 N ATOM 0 H ARG A 78 -2.323 -3.097 -8.953 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.270 -4.444 -10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.235 -1.916 -10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.271 -2.580 -11.778 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.402 -3.272 -12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.307 -2.469 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.154 -0.888 -13.440 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.021 -0.339 -12.221 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.483 -1.951 -13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.560 0.882 -14.294 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.646 1.498 -15.674 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.318 -1.148 -15.663 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.820 0.355 -16.444 1.00 0.00 H new ATOM 1202 N GLN A 79 -1.080 -5.071 -10.964 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.122 -5.961 -11.612 1.00 0.00 C ATOM 1204 C GLN A 79 -0.446 -7.420 -11.310 1.00 0.00 C ATOM 1205 O GLN A 79 -0.333 -8.284 -12.180 1.00 0.00 O ATOM 1206 CB GLN A 79 1.301 -5.636 -11.152 1.00 0.00 C ATOM 1207 CG GLN A 79 1.884 -4.396 -11.808 1.00 0.00 C ATOM 1208 CD GLN A 79 3.397 -4.347 -11.723 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.069 -5.373 -11.830 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.941 -3.152 -11.529 1.00 0.00 N ATOM 0 H GLN A 79 -0.684 -4.491 -10.224 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.192 -5.807 -12.689 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.302 -5.499 -10.071 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.947 -6.488 -11.366 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.582 -4.367 -12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.468 -3.508 -11.332 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.346 -2.328 -11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.954 -3.058 -11.463 1.00 0.00 H new ATOM 1219 N MET A 80 -0.850 -7.689 -10.073 1.00 0.00 N ATOM 1220 CA MET A 80 -1.190 -9.045 -9.658 1.00 0.00 C ATOM 1221 C MET A 80 -2.530 -9.473 -10.249 1.00 0.00 C ATOM 1222 O MET A 80 -2.733 -10.646 -10.565 1.00 0.00 O ATOM 1223 CB MET A 80 -1.241 -9.136 -8.132 1.00 0.00 C ATOM 1224 CG MET A 80 0.110 -8.933 -7.465 1.00 0.00 C ATOM 1225 SD MET A 80 -0.033 -8.527 -5.714 1.00 0.00 S ATOM 1226 CE MET A 80 -1.035 -9.893 -5.131 1.00 0.00 C ATOM 0 H MET A 80 -0.950 -6.986 -9.341 1.00 0.00 H new ATOM 0 HA MET A 80 -0.417 -9.717 -10.029 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.939 -8.389 -7.755 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.634 -10.112 -7.847 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.705 -9.839 -7.576 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.647 -8.134 -7.976 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.963 -9.959 -4.045 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.074 -9.730 -5.417 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.678 -10.822 -5.576 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.440 -8.516 -10.395 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.749 -8.813 -10.948 1.00 0.00 C ATOM 1238 C GLY A 81 -5.861 -8.637 -9.935 1.00 0.00 C ATOM 1239 O GLY A 81 -6.893 -9.305 -10.012 1.00 0.00 O ATOM 0 H GLY A 81 -3.295 -7.539 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.935 -8.163 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.759 -9.838 -11.319 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.652 -7.735 -8.981 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.646 -7.472 -7.947 1.00 0.00 C ATOM 1245 C TYR A 82 -7.623 -6.388 -8.393 1.00 0.00 C ATOM 1246 O TYR A 82 -7.224 -5.384 -8.984 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.959 -7.053 -6.645 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.825 -8.177 -5.642 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.946 -8.850 -5.171 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.579 -8.565 -5.167 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.828 -9.878 -4.255 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.453 -9.592 -4.251 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.580 -10.245 -3.798 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.459 -11.268 -2.886 1.00 0.00 O ATOM 0 H TYR A 82 -4.804 -7.174 -8.903 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.206 -8.391 -7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.968 -6.664 -6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.524 -6.238 -6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.925 -8.565 -5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.694 -8.056 -5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.709 -10.391 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.477 -9.882 -3.892 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.281 -11.333 -2.356 1.00 0.00 H new ATOM 1264 N THR A 83 -8.903 -6.601 -8.108 1.00 0.00 N ATOM 1265 CA THR A 83 -9.939 -5.643 -8.479 1.00 0.00 C ATOM 1266 C THR A 83 -10.609 -5.059 -7.240 1.00 0.00 C ATOM 1267 O THR A 83 -10.919 -3.869 -7.193 1.00 0.00 O ATOM 1268 CB THR A 83 -10.985 -6.312 -9.372 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.369 -7.200 -10.287 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.811 -5.327 -10.171 1.00 0.00 C ATOM 0 H THR A 83 -9.248 -7.428 -7.621 1.00 0.00 H new ATOM 0 HA THR A 83 -9.467 -4.830 -9.031 1.00 0.00 H new ATOM 0 HB THR A 83 -11.647 -6.845 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.055 -7.619 -10.848 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.533 -5.869 -10.782 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.340 -4.660 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.156 -4.742 -10.816 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.830 -5.905 -6.240 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.464 -5.472 -5.000 1.00 0.00 C ATOM 1280 C GLU A 84 -10.499 -4.648 -4.154 1.00 0.00 C ATOM 1281 O GLU A 84 -10.879 -3.627 -3.579 1.00 0.00 O ATOM 1282 CB GLU A 84 -11.951 -6.683 -4.202 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.296 -7.218 -4.668 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.349 -8.733 -4.679 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -12.806 -9.340 -5.626 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -13.934 -9.313 -3.740 1.00 0.00 O ATOM 0 H GLU A 84 -10.580 -6.894 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.319 -4.847 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.208 -7.478 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.023 -6.409 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.081 -6.835 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.504 -6.844 -5.670 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.250 -5.096 -4.084 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.230 -4.399 -3.309 1.00 0.00 C ATOM 1295 C ALA A 85 -8.040 -2.971 -3.809 1.00 0.00 C ATOM 1296 O ALA A 85 -7.834 -2.049 -3.020 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.914 -5.159 -3.367 1.00 0.00 C ATOM 0 H ALA A 85 -8.920 -5.939 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.565 -4.351 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.161 -4.628 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.053 -6.159 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.584 -5.236 -4.403 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.112 -2.794 -5.124 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.948 -1.479 -5.728 1.00 0.00 C ATOM 1305 C ILE A 86 -9.179 -0.610 -5.496 1.00 0.00 C ATOM 1306 O ILE A 86 -9.079 0.614 -5.399 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.686 -1.583 -7.243 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.581 -2.603 -7.522 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.315 -0.222 -7.812 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.276 -2.774 -8.995 1.00 0.00 C ATOM 0 H ILE A 86 -8.283 -3.546 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.084 -1.018 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.599 -1.922 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.673 -2.294 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.873 -3.567 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.133 -0.313 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.132 0.479 -7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.414 0.144 -7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.483 -3.512 -9.119 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.172 -3.113 -9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.953 -1.820 -9.413 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.342 -1.249 -5.407 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.592 -0.533 -5.186 1.00 0.00 C ATOM 1324 C GLU A 87 -11.656 0.027 -3.768 1.00 0.00 C ATOM 1325 O GLU A 87 -12.164 1.126 -3.547 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.785 -1.458 -5.435 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.108 -1.653 -6.907 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.270 -0.794 -7.366 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.248 -0.658 -6.600 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -14.203 -0.258 -8.492 1.00 0.00 O ATOM 0 H GLU A 87 -10.444 -2.261 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.633 0.300 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.581 -2.429 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.661 -1.051 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.227 -1.415 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.342 -2.702 -7.088 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.137 -0.737 -2.813 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.134 -0.317 -1.416 1.00 0.00 C ATOM 1339 C VAL A 88 -10.346 0.976 -1.234 1.00 0.00 C ATOM 1340 O VAL A 88 -10.704 1.822 -0.414 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.534 -1.404 -0.504 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.681 -1.016 0.960 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.188 -2.752 -0.774 1.00 0.00 C ATOM 0 H VAL A 88 -10.713 -1.650 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.173 -0.150 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.471 -1.491 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.251 -1.796 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.160 -0.076 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.737 -0.897 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.750 -3.506 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.259 -2.682 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.024 -3.034 -1.814 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.274 1.123 -2.004 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.435 2.313 -1.928 1.00 0.00 C ATOM 1355 C ILE A 89 -9.071 3.481 -2.675 1.00 0.00 C ATOM 1356 O ILE A 89 -8.937 4.636 -2.270 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.032 2.052 -2.506 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.431 0.783 -1.896 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.123 3.246 -2.255 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.362 0.146 -2.757 1.00 0.00 C ATOM 0 H ILE A 89 -8.965 0.433 -2.688 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.342 2.566 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.122 1.908 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.006 1.024 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.228 0.059 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.135 3.045 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.544 4.131 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.038 3.419 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.981 -0.748 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.787 -0.127 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.546 0.853 -2.907 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.763 3.172 -3.766 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.420 4.197 -4.570 1.00 0.00 C ATOM 1374 C GLN A 90 -11.713 4.661 -3.906 1.00 0.00 C ATOM 1375 O GLN A 90 -12.084 5.832 -4.000 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.716 3.663 -5.973 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.490 3.589 -6.867 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.796 2.997 -8.229 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.942 3.003 -8.677 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.770 2.482 -8.894 1.00 0.00 N ATOM 0 H GLN A 90 -9.884 2.221 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.746 5.050 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.155 2.669 -5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.462 4.302 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.077 4.590 -6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.724 2.988 -6.378 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.836 2.499 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.915 2.069 -9.815 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.393 3.737 -3.237 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.645 4.052 -2.557 1.00 0.00 C ATOM 1391 C ALA A 91 -13.404 4.965 -1.360 1.00 0.00 C ATOM 1392 O ALA A 91 -14.253 5.785 -1.012 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.342 2.774 -2.118 1.00 0.00 C ATOM 0 H ALA A 91 -12.099 2.764 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.289 4.581 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.275 3.024 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.557 2.158 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.695 2.223 -1.435 1.00 0.00 H new