USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 901 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 18 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Set 1.2: A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 79 CYS SG : rot -147:sc= 0.469 USER MOD Set 2.2: A 83 ASN : amide:sc= 0 X(o=0.47,f=0.44) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.00967 K(o=0.097,f=-0.84) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0.0873 USER MOD Set 4.1: A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 110 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.6) USER MOD Single : A 6 SER OG : rot 28:sc= 0.394 USER MOD Single : A 15 THR OG1 : rot 95:sc= 0.936 USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= -0.11 (180deg=-0.67) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.41) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.047) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 148:sc= -0.275 (180deg=-1.2) USER MOD Single : A 52 THR OG1 : rot 137:sc= 0.876 USER MOD Single : A 53 MET CE :methyl -128:sc= -3.05 (180deg=-4.5) USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= 0.926 (180deg=0.536) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 73 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.58) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -3.67! K(o=-3.7!,f=-4.6) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -20:sc= 0.409 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -80:sc= -0.139 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.72 K(o=-1.7,f=-4.6!) USER MOD Single : A 113 LYS NZ :NH3+ 134:sc= -0.16 (180deg=-0.731) USER MOD Single : A 114 MET CE :methyl 157:sc= -0.606 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.175 20.179 2.266 1.00 0.00 N ATOM 49 CA SER A 6 0.028 19.398 3.480 1.00 0.00 C ATOM 50 C SER A 6 -1.164 18.483 3.742 1.00 0.00 C ATOM 51 O SER A 6 -1.007 17.279 3.938 1.00 0.00 O ATOM 52 CB SER A 6 0.247 20.325 4.677 1.00 0.00 C ATOM 53 OG SER A 6 1.063 21.429 4.324 1.00 0.00 O ATOM 0 HA SER A 6 0.915 18.780 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.715 20.682 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.713 19.770 5.491 1.00 0.00 H new ATOM 0 HG SER A 6 0.953 21.625 3.370 1.00 0.00 H new ATOM 59 N GLY A 7 -2.360 19.065 3.745 1.00 0.00 N ATOM 60 CA GLY A 7 -3.562 18.290 3.985 1.00 0.00 C ATOM 61 C GLY A 7 -3.500 16.913 3.353 1.00 0.00 C ATOM 62 O GLY A 7 -3.635 15.900 4.039 1.00 0.00 O ATOM 0 H GLY A 7 -2.517 20.060 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.716 18.187 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.423 18.829 3.590 1.00 0.00 H new ATOM 66 N PHE A 8 -3.297 16.876 2.040 1.00 0.00 N ATOM 67 CA PHE A 8 -3.220 15.613 1.314 1.00 0.00 C ATOM 68 C PHE A 8 -2.293 14.632 2.026 1.00 0.00 C ATOM 69 O PHE A 8 -2.545 13.427 2.048 1.00 0.00 O ATOM 70 CB PHE A 8 -2.728 15.851 -0.115 1.00 0.00 C ATOM 71 CG PHE A 8 -2.397 14.586 -0.855 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.391 13.673 -1.169 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.094 14.310 -1.234 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.089 12.508 -1.848 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.787 13.147 -1.914 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.786 12.244 -2.223 1.00 0.00 C ATOM 0 H PHE A 8 -3.183 17.705 1.457 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.220 15.181 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.493 16.396 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.843 16.487 -0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.412 13.874 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.309 15.012 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.872 11.803 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.233 12.944 -2.204 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.549 11.335 -2.756 1.00 0.00 H new ATOM 86 N LEU A 9 -1.220 15.157 2.607 1.00 0.00 N ATOM 87 CA LEU A 9 -0.253 14.329 3.319 1.00 0.00 C ATOM 88 C LEU A 9 -0.916 13.598 4.482 1.00 0.00 C ATOM 89 O LEU A 9 -0.653 12.418 4.717 1.00 0.00 O ATOM 90 CB LEU A 9 0.902 15.189 3.835 1.00 0.00 C ATOM 91 CG LEU A 9 1.603 16.065 2.796 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.935 16.567 3.332 1.00 0.00 C ATOM 93 CD2 LEU A 9 1.803 15.296 1.498 1.00 0.00 C ATOM 0 H LEU A 9 -0.998 16.152 2.599 1.00 0.00 H new ATOM 0 HA LEU A 9 0.137 13.588 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.523 15.834 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.645 14.531 4.287 1.00 0.00 H new ATOM 0 HG LEU A 9 0.970 16.928 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.419 17.189 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.766 17.155 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.576 15.717 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.303 15.935 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.415 14.414 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.834 14.987 1.105 1.00 0.00 H new ATOM 105 N ILE A 10 -1.777 14.306 5.206 1.00 0.00 N ATOM 106 CA ILE A 10 -2.480 13.723 6.342 1.00 0.00 C ATOM 107 C ILE A 10 -3.426 12.613 5.894 1.00 0.00 C ATOM 108 O ILE A 10 -3.501 11.555 6.520 1.00 0.00 O ATOM 109 CB ILE A 10 -3.283 14.787 7.113 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.343 15.670 7.936 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.315 14.122 8.013 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.844 16.885 7.184 1.00 0.00 C ATOM 0 H ILE A 10 -2.004 15.284 5.026 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.720 13.304 7.002 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.807 15.417 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.861 15.998 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.488 15.076 8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.875 14.887 8.552 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.000 13.531 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.810 13.472 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.183 17.465 7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.297 16.565 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.692 17.501 6.885 1.00 0.00 H new ATOM 124 N LEU A 11 -4.145 12.862 4.804 1.00 0.00 N ATOM 125 CA LEU A 11 -5.085 11.884 4.269 1.00 0.00 C ATOM 126 C LEU A 11 -4.378 10.574 3.937 1.00 0.00 C ATOM 127 O LEU A 11 -4.943 9.492 4.105 1.00 0.00 O ATOM 128 CB LEU A 11 -5.770 12.438 3.018 1.00 0.00 C ATOM 129 CG LEU A 11 -6.529 11.422 2.163 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.813 10.994 2.857 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.831 12.001 0.789 1.00 0.00 C ATOM 0 H LEU A 11 -4.095 13.732 4.274 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.838 11.686 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.467 13.218 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.013 12.914 2.395 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.899 10.542 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.340 10.271 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.573 10.538 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.448 11.865 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.371 11.264 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.441 12.897 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.897 12.257 0.289 1.00 0.00 H new ATOM 143 N LEU A 12 -3.140 10.677 3.467 1.00 0.00 N ATOM 144 CA LEU A 12 -2.354 9.501 3.114 1.00 0.00 C ATOM 145 C LEU A 12 -1.897 8.756 4.364 1.00 0.00 C ATOM 146 O LEU A 12 -2.013 7.533 4.447 1.00 0.00 O ATOM 147 CB LEU A 12 -1.140 9.906 2.276 1.00 0.00 C ATOM 148 CG LEU A 12 -1.444 10.580 0.938 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.155 10.978 0.236 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.271 9.659 0.053 1.00 0.00 C ATOM 0 H LEU A 12 -2.659 11.564 3.321 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.987 8.835 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.523 10.582 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.542 9.015 2.084 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.023 11.483 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.391 11.456 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.401 11.674 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.450 10.090 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.478 10.155 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.717 8.739 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.211 9.423 0.552 1.00 0.00 H new ATOM 162 N ARG A 13 -1.380 9.501 5.335 1.00 0.00 N ATOM 163 CA ARG A 13 -0.907 8.911 6.582 1.00 0.00 C ATOM 164 C ARG A 13 -2.059 8.278 7.355 1.00 0.00 C ATOM 165 O ARG A 13 -1.909 7.213 7.954 1.00 0.00 O ATOM 166 CB ARG A 13 -0.221 9.973 7.445 1.00 0.00 C ATOM 167 CG ARG A 13 0.974 10.626 6.771 1.00 0.00 C ATOM 168 CD ARG A 13 1.170 12.056 7.250 1.00 0.00 C ATOM 169 NE ARG A 13 1.479 12.118 8.676 1.00 0.00 N ATOM 170 CZ ARG A 13 1.725 13.250 9.327 1.00 0.00 C ATOM 171 NH1 ARG A 13 1.698 14.408 8.682 1.00 0.00 N ATOM 172 NH2 ARG A 13 1.999 13.224 10.625 1.00 0.00 N ATOM 0 H ARG A 13 -1.278 10.515 5.283 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.186 8.131 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.947 10.743 7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.105 9.515 8.379 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.873 10.045 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.832 10.619 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.977 12.521 6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.267 12.633 7.049 1.00 0.00 H new ATOM 0 HE ARG A 13 1.508 11.244 9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.488 14.431 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.887 15.276 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.021 12.335 11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.188 14.093 11.124 1.00 0.00 H new ATOM 186 N LYS A 14 -3.211 8.940 7.339 1.00 0.00 N ATOM 187 CA LYS A 14 -4.390 8.443 8.037 1.00 0.00 C ATOM 188 C LYS A 14 -5.003 7.259 7.296 1.00 0.00 C ATOM 189 O LYS A 14 -5.519 6.327 7.913 1.00 0.00 O ATOM 190 CB LYS A 14 -5.428 9.559 8.185 1.00 0.00 C ATOM 191 CG LYS A 14 -6.374 9.670 7.002 1.00 0.00 C ATOM 192 CD LYS A 14 -7.606 8.801 7.189 1.00 0.00 C ATOM 193 CE LYS A 14 -8.720 9.560 7.895 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.612 10.261 6.930 1.00 0.00 N ATOM 0 H LYS A 14 -3.353 9.823 6.849 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.081 8.108 9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.010 9.385 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.911 10.510 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.677 10.709 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.854 9.375 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.959 8.454 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.344 7.915 7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.308 8.866 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.286 10.287 8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.358 10.766 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.056 10.942 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.047 9.565 6.291 1.00 0.00 H new ATOM 208 N THR A 15 -4.941 7.301 5.969 1.00 0.00 N ATOM 209 CA THR A 15 -5.489 6.232 5.144 1.00 0.00 C ATOM 210 C THR A 15 -4.628 4.977 5.227 1.00 0.00 C ATOM 211 O THR A 15 -5.144 3.863 5.322 1.00 0.00 O ATOM 212 CB THR A 15 -5.606 6.664 3.670 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.633 7.652 3.529 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.919 5.471 2.780 1.00 0.00 C ATOM 0 H THR A 15 -4.516 8.064 5.442 1.00 0.00 H new ATOM 0 HA THR A 15 -6.484 6.013 5.531 1.00 0.00 H new ATOM 0 HB THR A 15 -4.650 7.087 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.234 8.546 3.564 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.997 5.801 1.744 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.122 4.733 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.863 5.023 3.090 1.00 0.00 H new ATOM 222 N LEU A 16 -3.313 5.164 5.191 1.00 0.00 N ATOM 223 CA LEU A 16 -2.379 4.046 5.264 1.00 0.00 C ATOM 224 C LEU A 16 -2.640 3.197 6.505 1.00 0.00 C ATOM 225 O LEU A 16 -2.539 1.972 6.463 1.00 0.00 O ATOM 226 CB LEU A 16 -0.939 4.559 5.277 1.00 0.00 C ATOM 227 CG LEU A 16 0.128 3.552 5.709 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.291 2.464 4.661 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.454 4.257 5.960 1.00 0.00 C ATOM 0 H LEU A 16 -2.870 6.079 5.112 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.528 3.423 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.692 4.914 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.887 5.421 5.942 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.195 3.085 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.054 1.757 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.656 1.941 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.592 2.913 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.202 3.526 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.782 4.751 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.328 4.999 6.748 1.00 0.00 H new ATOM 241 N GLU A 17 -2.978 3.859 7.607 1.00 0.00 N ATOM 242 CA GLU A 17 -3.255 3.165 8.859 1.00 0.00 C ATOM 243 C GLU A 17 -4.495 2.286 8.731 1.00 0.00 C ATOM 244 O GLU A 17 -4.498 1.133 9.162 1.00 0.00 O ATOM 245 CB GLU A 17 -3.446 4.172 9.996 1.00 0.00 C ATOM 246 CG GLU A 17 -2.172 4.911 10.373 1.00 0.00 C ATOM 247 CD GLU A 17 -2.182 5.391 11.812 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.576 4.603 12.697 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.796 6.554 12.053 1.00 0.00 O ATOM 0 H GLU A 17 -3.067 4.874 7.658 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.401 2.528 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.205 4.898 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.826 3.649 10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.316 4.254 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.042 5.766 9.709 1.00 0.00 H new ATOM 256 N GLN A 18 -5.547 2.840 8.138 1.00 0.00 N ATOM 257 CA GLN A 18 -6.794 2.107 7.954 1.00 0.00 C ATOM 258 C GLN A 18 -6.539 0.754 7.298 1.00 0.00 C ATOM 259 O GLN A 18 -7.067 -0.269 7.735 1.00 0.00 O ATOM 260 CB GLN A 18 -7.770 2.923 7.104 1.00 0.00 C ATOM 261 CG GLN A 18 -8.068 4.301 7.674 1.00 0.00 C ATOM 262 CD GLN A 18 -9.442 4.808 7.284 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.461 4.222 7.651 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.478 5.905 6.536 1.00 0.00 N ATOM 0 H GLN A 18 -5.561 3.794 7.777 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.234 1.937 8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.359 3.035 6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.704 2.370 7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.993 4.265 8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.312 5.005 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.609 6.359 6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.375 6.294 6.243 1.00 0.00 H new ATOM 273 N LEU A 19 -5.726 0.755 6.247 1.00 0.00 N ATOM 274 CA LEU A 19 -5.401 -0.473 5.530 1.00 0.00 C ATOM 275 C LEU A 19 -4.767 -1.497 6.465 1.00 0.00 C ATOM 276 O LEU A 19 -5.194 -2.651 6.517 1.00 0.00 O ATOM 277 CB LEU A 19 -4.453 -0.171 4.368 1.00 0.00 C ATOM 278 CG LEU A 19 -4.972 0.810 3.316 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.829 1.319 2.451 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.043 0.155 2.457 1.00 0.00 C ATOM 0 H LEU A 19 -5.280 1.592 5.873 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.327 -0.892 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.523 0.224 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.209 -1.110 3.871 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.418 1.661 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.217 2.016 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.097 1.828 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.353 0.479 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.400 0.868 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.623 -0.715 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.874 -0.158 3.088 1.00 0.00 H new ATOM 292 N GLN A 20 -3.749 -1.068 7.203 1.00 0.00 N ATOM 293 CA GLN A 20 -3.058 -1.948 8.137 1.00 0.00 C ATOM 294 C GLN A 20 -4.054 -2.759 8.959 1.00 0.00 C ATOM 295 O GLN A 20 -3.914 -3.973 9.100 1.00 0.00 O ATOM 296 CB GLN A 20 -2.156 -1.134 9.067 1.00 0.00 C ATOM 297 CG GLN A 20 -0.982 -0.479 8.355 1.00 0.00 C ATOM 298 CD GLN A 20 0.228 -0.320 9.253 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.398 0.708 9.909 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.079 -1.339 9.286 1.00 0.00 N ATOM 0 H GLN A 20 -3.384 -0.116 7.172 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.444 -2.638 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.752 -0.362 9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.776 -1.786 9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.709 -1.078 7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.286 0.500 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.899 -2.172 8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.913 -1.288 9.871 1.00 0.00 H new ATOM 309 N GLU A 21 -5.060 -2.079 9.501 1.00 0.00 N ATOM 310 CA GLU A 21 -6.080 -2.737 10.310 1.00 0.00 C ATOM 311 C GLU A 21 -6.504 -4.060 9.679 1.00 0.00 C ATOM 312 O GLU A 21 -6.619 -5.078 10.361 1.00 0.00 O ATOM 313 CB GLU A 21 -7.297 -1.826 10.477 1.00 0.00 C ATOM 314 CG GLU A 21 -7.037 -0.622 11.369 1.00 0.00 C ATOM 315 CD GLU A 21 -7.049 -0.976 12.843 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.151 -1.190 13.393 1.00 0.00 O ATOM 317 OE2 GLU A 21 -5.958 -1.038 13.448 1.00 0.00 O ATOM 0 H GLU A 21 -5.190 -1.073 9.395 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.652 -2.942 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.618 -1.478 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.120 -2.406 10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.072 -0.185 11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.793 0.139 11.176 1.00 0.00 H new ATOM 324 N LYS A 22 -6.737 -4.037 8.371 1.00 0.00 N ATOM 325 CA LYS A 22 -7.148 -5.233 7.645 1.00 0.00 C ATOM 326 C LYS A 22 -6.195 -6.390 7.920 1.00 0.00 C ATOM 327 O LYS A 22 -6.626 -7.520 8.152 1.00 0.00 O ATOM 328 CB LYS A 22 -7.202 -4.949 6.142 1.00 0.00 C ATOM 329 CG LYS A 22 -8.104 -3.782 5.776 1.00 0.00 C ATOM 330 CD LYS A 22 -9.565 -4.103 6.036 1.00 0.00 C ATOM 331 CE LYS A 22 -10.396 -2.838 6.190 1.00 0.00 C ATOM 332 NZ LYS A 22 -9.975 -2.039 7.374 1.00 0.00 N ATOM 0 H LYS A 22 -6.648 -3.202 7.792 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.143 -5.514 7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.193 -4.745 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.550 -5.843 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.816 -2.903 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.967 -3.532 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.959 -4.700 5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.650 -4.708 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.303 -2.230 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.448 -3.104 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.776 -1.467 7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.665 -2.679 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.190 -1.411 7.108 1.00 0.00 H new ATOM 346 N ASP A 23 -4.898 -6.103 7.893 1.00 0.00 N ATOM 347 CA ASP A 23 -3.884 -7.121 8.142 1.00 0.00 C ATOM 348 C ASP A 23 -3.795 -7.447 9.630 1.00 0.00 C ATOM 349 O ASP A 23 -3.290 -6.651 10.422 1.00 0.00 O ATOM 350 CB ASP A 23 -2.522 -6.651 7.628 1.00 0.00 C ATOM 351 CG ASP A 23 -1.476 -7.747 7.672 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.859 -8.934 7.604 1.00 0.00 O ATOM 353 OD2 ASP A 23 -0.275 -7.419 7.775 1.00 0.00 O ATOM 0 H ASP A 23 -4.524 -5.174 7.701 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.173 -8.025 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.627 -6.294 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.183 -5.805 8.227 1.00 0.00 H new ATOM 358 N THR A 24 -4.290 -8.623 10.003 1.00 0.00 N ATOM 359 CA THR A 24 -4.269 -9.053 11.395 1.00 0.00 C ATOM 360 C THR A 24 -2.990 -9.818 11.715 1.00 0.00 C ATOM 361 O THR A 24 -2.507 -9.796 12.846 1.00 0.00 O ATOM 362 CB THR A 24 -5.482 -9.944 11.726 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.417 -11.160 10.973 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.784 -9.220 11.418 1.00 0.00 C ATOM 0 H THR A 24 -4.710 -9.294 9.360 1.00 0.00 H new ATOM 0 HA THR A 24 -4.312 -8.151 12.005 1.00 0.00 H new ATOM 0 HB THR A 24 -5.456 -10.175 12.791 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.190 -11.721 11.190 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.627 -9.868 11.659 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.844 -8.310 12.014 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.816 -8.963 10.359 1.00 0.00 H new ATOM 372 N GLY A 25 -2.444 -10.495 10.710 1.00 0.00 N ATOM 373 CA GLY A 25 -1.223 -11.258 10.904 1.00 0.00 C ATOM 374 C GLY A 25 0.013 -10.381 10.904 1.00 0.00 C ATOM 375 O GLY A 25 1.055 -10.767 11.432 1.00 0.00 O ATOM 0 H GLY A 25 -2.825 -10.529 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.282 -11.798 11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.135 -12.005 10.115 1.00 0.00 H new ATOM 379 N ASN A 26 -0.101 -9.198 10.309 1.00 0.00 N ATOM 380 CA ASN A 26 1.018 -8.266 10.240 1.00 0.00 C ATOM 381 C ASN A 26 2.149 -8.834 9.387 1.00 0.00 C ATOM 382 O ASN A 26 3.323 -8.565 9.637 1.00 0.00 O ATOM 383 CB ASN A 26 1.534 -7.952 11.646 1.00 0.00 C ATOM 384 CG ASN A 26 0.419 -7.893 12.672 1.00 0.00 C ATOM 385 OD1 ASN A 26 0.327 -8.747 13.554 1.00 0.00 O ATOM 386 ND2 ASN A 26 -0.437 -6.884 12.559 1.00 0.00 N ATOM 0 H ASN A 26 -0.957 -8.862 9.868 1.00 0.00 H new ATOM 0 HA ASN A 26 0.663 -7.346 9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.257 -8.712 11.943 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.062 -6.998 11.632 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.209 -6.794 13.219 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.322 -6.199 11.812 1.00 0.00 H new ATOM 393 N ILE A 27 1.784 -9.620 8.380 1.00 0.00 N ATOM 394 CA ILE A 27 2.767 -10.225 7.490 1.00 0.00 C ATOM 395 C ILE A 27 3.461 -9.167 6.639 1.00 0.00 C ATOM 396 O ILE A 27 4.670 -9.231 6.412 1.00 0.00 O ATOM 397 CB ILE A 27 2.119 -11.269 6.562 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.459 -12.376 7.388 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.156 -11.854 5.616 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.791 -13.441 6.546 1.00 0.00 C ATOM 0 H ILE A 27 0.816 -9.853 8.160 1.00 0.00 H new ATOM 0 HA ILE A 27 3.503 -10.721 8.123 1.00 0.00 H new ATOM 0 HB ILE A 27 1.350 -10.777 5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.213 -12.844 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.718 -11.930 8.051 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.682 -12.590 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.585 -11.057 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.945 -12.335 6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.345 -14.193 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.014 -12.985 5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.532 -13.913 5.901 1.00 0.00 H new ATOM 412 N PHE A 28 2.689 -8.192 6.170 1.00 0.00 N ATOM 413 CA PHE A 28 3.230 -7.119 5.344 1.00 0.00 C ATOM 414 C PHE A 28 3.640 -5.926 6.202 1.00 0.00 C ATOM 415 O PHE A 28 4.325 -5.017 5.734 1.00 0.00 O ATOM 416 CB PHE A 28 2.199 -6.680 4.301 1.00 0.00 C ATOM 417 CG PHE A 28 1.403 -7.819 3.729 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.289 -8.304 4.395 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.769 -8.403 2.527 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.444 -9.353 3.872 1.00 0.00 C ATOM 421 CE2 PHE A 28 1.038 -9.451 1.999 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.070 -9.925 2.671 1.00 0.00 C ATOM 0 H PHE A 28 1.687 -8.123 6.348 1.00 0.00 H new ATOM 0 HA PHE A 28 4.115 -7.499 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.516 -5.962 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.712 -6.162 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.010 -7.858 5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.635 -8.035 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.308 -9.725 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.334 -9.898 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.644 -10.742 2.259 1.00 0.00 H new ATOM 432 N SER A 29 3.216 -5.937 7.462 1.00 0.00 N ATOM 433 CA SER A 29 3.535 -4.854 8.386 1.00 0.00 C ATOM 434 C SER A 29 5.036 -4.589 8.413 1.00 0.00 C ATOM 435 O SER A 29 5.482 -3.534 8.866 1.00 0.00 O ATOM 436 CB SER A 29 3.039 -5.194 9.792 1.00 0.00 C ATOM 437 OG SER A 29 2.717 -4.019 10.517 1.00 0.00 O ATOM 0 H SER A 29 2.651 -6.684 7.866 1.00 0.00 H new ATOM 0 HA SER A 29 3.031 -3.952 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.161 -5.836 9.726 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.806 -5.756 10.326 1.00 0.00 H new ATOM 0 HG SER A 29 2.401 -4.263 11.412 1.00 0.00 H new ATOM 443 N GLU A 30 5.811 -5.552 7.923 1.00 0.00 N ATOM 444 CA GLU A 30 7.263 -5.422 7.892 1.00 0.00 C ATOM 445 C GLU A 30 7.815 -5.812 6.524 1.00 0.00 C ATOM 446 O GLU A 30 7.236 -6.622 5.800 1.00 0.00 O ATOM 447 CB GLU A 30 7.898 -6.293 8.978 1.00 0.00 C ATOM 448 CG GLU A 30 7.178 -6.222 10.314 1.00 0.00 C ATOM 449 CD GLU A 30 8.060 -6.639 11.474 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.561 -7.783 11.457 1.00 0.00 O ATOM 451 OE2 GLU A 30 8.249 -5.823 12.399 1.00 0.00 O ATOM 0 H GLU A 30 5.458 -6.430 7.542 1.00 0.00 H new ATOM 0 HA GLU A 30 7.513 -4.378 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.914 -7.329 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.935 -5.987 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.825 -5.204 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.298 -6.864 10.283 1.00 0.00 H new ATOM 458 N PRO A 31 8.962 -5.221 6.159 1.00 0.00 N ATOM 459 CA PRO A 31 9.618 -5.491 4.875 1.00 0.00 C ATOM 460 C PRO A 31 10.207 -6.895 4.810 1.00 0.00 C ATOM 461 O PRO A 31 10.814 -7.371 5.769 1.00 0.00 O ATOM 462 CB PRO A 31 10.731 -4.441 4.819 1.00 0.00 C ATOM 463 CG PRO A 31 11.019 -4.116 6.245 1.00 0.00 C ATOM 464 CD PRO A 31 9.708 -4.244 6.971 1.00 0.00 C ATOM 0 HA PRO A 31 8.919 -5.437 4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.616 -4.829 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.413 -3.556 4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.762 -4.798 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.422 -3.108 6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.848 -4.595 7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.186 -3.289 7.030 1.00 0.00 H new ATOM 472 N VAL A 32 10.023 -7.555 3.670 1.00 0.00 N ATOM 473 CA VAL A 32 10.538 -8.906 3.478 1.00 0.00 C ATOM 474 C VAL A 32 12.060 -8.932 3.567 1.00 0.00 C ATOM 475 O VAL A 32 12.762 -8.245 2.824 1.00 0.00 O ATOM 476 CB VAL A 32 10.104 -9.483 2.118 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.747 -10.843 1.885 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.588 -9.580 2.040 1.00 0.00 C ATOM 0 H VAL A 32 9.522 -7.176 2.866 1.00 0.00 H new ATOM 0 HA VAL A 32 10.120 -9.521 4.275 1.00 0.00 H new ATOM 0 HB VAL A 32 10.443 -8.808 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.429 -11.235 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.832 -10.739 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.441 -11.530 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.299 -9.990 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.224 -10.232 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.153 -8.587 2.158 1.00 0.00 H new ATOM 488 N PRO A 33 12.584 -9.744 4.498 1.00 0.00 N ATOM 489 CA PRO A 33 14.029 -9.881 4.705 1.00 0.00 C ATOM 490 C PRO A 33 14.715 -10.601 3.549 1.00 0.00 C ATOM 491 O PRO A 33 14.381 -11.742 3.229 1.00 0.00 O ATOM 492 CB PRO A 33 14.126 -10.713 5.987 1.00 0.00 C ATOM 493 CG PRO A 33 12.849 -11.480 6.037 1.00 0.00 C ATOM 494 CD PRO A 33 11.807 -10.591 5.417 1.00 0.00 C ATOM 0 HA PRO A 33 14.525 -8.913 4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.988 -11.380 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.240 -10.077 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.936 -12.419 5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.585 -11.732 7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.049 -11.169 4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.287 -9.997 6.168 1.00 0.00 H new ATOM 502 N LEU A 34 15.676 -9.927 2.927 1.00 0.00 N ATOM 503 CA LEU A 34 16.411 -10.504 1.806 1.00 0.00 C ATOM 504 C LEU A 34 17.233 -11.709 2.255 1.00 0.00 C ATOM 505 O LEU A 34 17.573 -12.575 1.450 1.00 0.00 O ATOM 506 CB LEU A 34 17.328 -9.453 1.178 1.00 0.00 C ATOM 507 CG LEU A 34 16.631 -8.264 0.516 1.00 0.00 C ATOM 508 CD1 LEU A 34 17.644 -7.374 -0.186 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.571 -8.745 -0.463 1.00 0.00 C ATOM 0 H LEU A 34 15.964 -8.982 3.179 1.00 0.00 H new ATOM 0 HA LEU A 34 15.687 -10.838 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.995 -9.073 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.953 -9.944 0.432 1.00 0.00 H new ATOM 0 HG LEU A 34 16.140 -7.677 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.129 -6.533 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.366 -7.001 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.165 -7.949 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.085 -7.885 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.039 -9.355 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.828 -9.340 0.068 1.00 0.00 H new ATOM 521 N SER A 35 17.546 -11.756 3.547 1.00 0.00 N ATOM 522 CA SER A 35 18.329 -12.854 4.103 1.00 0.00 C ATOM 523 C SER A 35 17.635 -14.192 3.861 1.00 0.00 C ATOM 524 O SER A 35 18.286 -15.197 3.576 1.00 0.00 O ATOM 525 CB SER A 35 18.549 -12.643 5.602 1.00 0.00 C ATOM 526 OG SER A 35 19.135 -13.788 6.197 1.00 0.00 O ATOM 0 H SER A 35 17.270 -11.048 4.227 1.00 0.00 H new ATOM 0 HA SER A 35 19.296 -12.870 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.192 -11.777 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.597 -12.425 6.085 1.00 0.00 H new ATOM 0 HG SER A 35 19.267 -13.628 7.155 1.00 0.00 H new ATOM 532 N GLU A 36 16.311 -14.195 3.979 1.00 0.00 N ATOM 533 CA GLU A 36 15.530 -15.409 3.775 1.00 0.00 C ATOM 534 C GLU A 36 15.145 -15.568 2.306 1.00 0.00 C ATOM 535 O GLU A 36 15.002 -16.685 1.809 1.00 0.00 O ATOM 536 CB GLU A 36 14.271 -15.384 4.643 1.00 0.00 C ATOM 537 CG GLU A 36 13.543 -16.716 4.701 1.00 0.00 C ATOM 538 CD GLU A 36 12.802 -16.921 6.008 1.00 0.00 C ATOM 539 OE1 GLU A 36 13.385 -16.626 7.072 1.00 0.00 O ATOM 540 OE2 GLU A 36 11.640 -17.376 5.967 1.00 0.00 O ATOM 0 H GLU A 36 15.757 -13.371 4.215 1.00 0.00 H new ATOM 0 HA GLU A 36 16.146 -16.260 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.544 -15.085 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.590 -14.624 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.836 -16.775 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.261 -17.524 4.565 1.00 0.00 H new ATOM 547 N VAL A 37 14.978 -14.443 1.619 1.00 0.00 N ATOM 548 CA VAL A 37 14.611 -14.456 0.208 1.00 0.00 C ATOM 549 C VAL A 37 15.664 -13.752 -0.640 1.00 0.00 C ATOM 550 O VAL A 37 15.548 -12.570 -0.962 1.00 0.00 O ATOM 551 CB VAL A 37 13.246 -13.781 -0.022 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.574 -14.345 -1.265 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.356 -13.949 1.200 1.00 0.00 C ATOM 0 H VAL A 37 15.091 -13.511 2.017 1.00 0.00 H new ATOM 0 HA VAL A 37 14.546 -15.501 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 37 13.409 -12.715 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.611 -13.856 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.207 -14.166 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.422 -15.417 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.396 -13.466 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.198 -15.010 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.836 -13.491 2.065 1.00 0.00 H new ATOM 563 N PRO A 38 16.717 -14.495 -1.013 1.00 0.00 N ATOM 564 CA PRO A 38 17.811 -13.964 -1.831 1.00 0.00 C ATOM 565 C PRO A 38 17.378 -13.681 -3.265 1.00 0.00 C ATOM 566 O PRO A 38 18.042 -12.940 -3.989 1.00 0.00 O ATOM 567 CB PRO A 38 18.854 -15.083 -1.797 1.00 0.00 C ATOM 568 CG PRO A 38 18.071 -16.324 -1.540 1.00 0.00 C ATOM 569 CD PRO A 38 16.919 -15.912 -0.665 1.00 0.00 C ATOM 0 HA PRO A 38 18.178 -13.010 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.398 -15.146 -2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.593 -14.912 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.716 -16.762 -2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.685 -17.078 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.028 -16.507 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.153 -16.037 0.392 1.00 0.00 H new ATOM 577 N ASP A 39 16.261 -14.276 -3.669 1.00 0.00 N ATOM 578 CA ASP A 39 15.738 -14.087 -5.018 1.00 0.00 C ATOM 579 C ASP A 39 14.459 -13.255 -4.993 1.00 0.00 C ATOM 580 O ASP A 39 13.628 -13.352 -5.896 1.00 0.00 O ATOM 581 CB ASP A 39 15.469 -15.440 -5.678 1.00 0.00 C ATOM 582 CG ASP A 39 14.883 -16.450 -4.711 1.00 0.00 C ATOM 583 OD1 ASP A 39 15.416 -16.574 -3.589 1.00 0.00 O ATOM 584 OD2 ASP A 39 13.892 -17.116 -5.077 1.00 0.00 O ATOM 0 H ASP A 39 15.700 -14.893 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 39 16.487 -13.551 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.784 -15.303 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.400 -15.832 -6.089 1.00 0.00 H new ATOM 589 N TYR A 40 14.310 -12.442 -3.955 1.00 0.00 N ATOM 590 CA TYR A 40 13.130 -11.596 -3.810 1.00 0.00 C ATOM 591 C TYR A 40 12.969 -10.675 -5.017 1.00 0.00 C ATOM 592 O TYR A 40 11.934 -10.683 -5.684 1.00 0.00 O ATOM 593 CB TYR A 40 13.227 -10.764 -2.530 1.00 0.00 C ATOM 594 CG TYR A 40 11.965 -9.994 -2.212 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.729 -10.628 -2.185 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.010 -8.632 -1.938 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.573 -9.928 -1.895 1.00 0.00 C ATOM 598 CE2 TYR A 40 10.860 -7.924 -1.647 1.00 0.00 C ATOM 599 CZ TYR A 40 9.644 -8.576 -1.627 1.00 0.00 C ATOM 600 OH TYR A 40 8.496 -7.876 -1.336 1.00 0.00 O ATOM 0 H TYR A 40 14.991 -12.350 -3.201 1.00 0.00 H new ATOM 0 HA TYR A 40 12.255 -12.243 -3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.460 -11.424 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.056 -10.063 -2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.670 -11.686 -2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 40 12.960 -8.119 -1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.620 -10.436 -1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.912 -6.866 -1.436 1.00 0.00 H new ATOM 0 HH TYR A 40 8.719 -6.936 -1.171 1.00 0.00 H new ATOM 610 N LEU A 41 14.000 -9.884 -5.290 1.00 0.00 N ATOM 611 CA LEU A 41 13.974 -8.957 -6.417 1.00 0.00 C ATOM 612 C LEU A 41 14.016 -9.711 -7.743 1.00 0.00 C ATOM 613 O LEU A 41 13.467 -9.253 -8.745 1.00 0.00 O ATOM 614 CB LEU A 41 15.155 -7.988 -6.331 1.00 0.00 C ATOM 615 CG LEU A 41 15.398 -7.345 -4.965 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.641 -6.470 -5.000 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.185 -6.533 -4.535 1.00 0.00 C ATOM 0 H LEU A 41 14.864 -9.865 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 41 13.043 -8.392 -6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.059 -8.521 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.002 -7.194 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 41 15.558 -8.138 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.798 -6.021 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.507 -7.078 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.511 -5.683 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.375 -6.083 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.995 -5.748 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.315 -7.186 -4.469 1.00 0.00 H new ATOM 629 N ASP A 42 14.668 -10.868 -7.739 1.00 0.00 N ATOM 630 CA ASP A 42 14.778 -11.687 -8.941 1.00 0.00 C ATOM 631 C ASP A 42 13.415 -11.867 -9.602 1.00 0.00 C ATOM 632 O ASP A 42 13.303 -11.874 -10.828 1.00 0.00 O ATOM 633 CB ASP A 42 15.379 -13.052 -8.600 1.00 0.00 C ATOM 634 CG ASP A 42 15.374 -13.998 -9.785 1.00 0.00 C ATOM 635 OD1 ASP A 42 15.321 -13.511 -10.934 1.00 0.00 O ATOM 636 OD2 ASP A 42 15.423 -15.225 -9.563 1.00 0.00 O ATOM 0 H ASP A 42 15.128 -11.260 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 42 15.436 -11.174 -9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.402 -12.918 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.817 -13.499 -7.780 1.00 0.00 H new ATOM 641 N HIS A 43 12.380 -12.016 -8.781 1.00 0.00 N ATOM 642 CA HIS A 43 11.023 -12.198 -9.285 1.00 0.00 C ATOM 643 C HIS A 43 10.193 -10.934 -9.082 1.00 0.00 C ATOM 644 O HIS A 43 9.223 -10.693 -9.802 1.00 0.00 O ATOM 645 CB HIS A 43 10.351 -13.381 -8.588 1.00 0.00 C ATOM 646 CG HIS A 43 11.010 -14.696 -8.870 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.570 -15.564 -9.848 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.084 -15.288 -8.299 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.343 -16.634 -9.863 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.271 -16.492 -8.933 1.00 0.00 N ATOM 0 H HIS A 43 12.455 -12.014 -7.764 1.00 0.00 H new ATOM 0 HA HIS A 43 11.084 -12.403 -10.354 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.352 -13.207 -7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.308 -13.432 -8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.683 -14.888 -7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.235 -17.482 -10.523 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.006 -17.166 -8.721 1.00 0.00 H new ATOM 659 N ILE A 44 10.581 -10.130 -8.097 1.00 0.00 N ATOM 660 CA ILE A 44 9.873 -8.891 -7.800 1.00 0.00 C ATOM 661 C ILE A 44 10.650 -7.679 -8.304 1.00 0.00 C ATOM 662 O ILE A 44 11.605 -7.233 -7.669 1.00 0.00 O ATOM 663 CB ILE A 44 9.623 -8.734 -6.288 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.770 -9.893 -5.767 1.00 0.00 C ATOM 665 CG2 ILE A 44 8.950 -7.402 -5.998 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.642 -10.279 -6.697 1.00 0.00 C ATOM 0 H ILE A 44 11.381 -10.315 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 44 8.914 -8.944 -8.315 1.00 0.00 H new ATOM 0 HB ILE A 44 10.583 -8.753 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.410 -10.760 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.353 -9.620 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.780 -7.306 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.591 -6.589 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.996 -7.355 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.080 -11.106 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.979 -9.425 -6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.052 -10.584 -7.660 1.00 0.00 H new ATOM 678 N LYS A 45 10.232 -7.150 -9.449 1.00 0.00 N ATOM 679 CA LYS A 45 10.885 -5.988 -10.038 1.00 0.00 C ATOM 680 C LYS A 45 10.833 -4.795 -9.089 1.00 0.00 C ATOM 681 O LYS A 45 11.843 -4.132 -8.853 1.00 0.00 O ATOM 682 CB LYS A 45 10.221 -5.624 -11.369 1.00 0.00 C ATOM 683 CG LYS A 45 10.545 -6.592 -12.494 1.00 0.00 C ATOM 684 CD LYS A 45 11.845 -6.223 -13.190 1.00 0.00 C ATOM 685 CE LYS A 45 12.080 -7.084 -14.421 1.00 0.00 C ATOM 686 NZ LYS A 45 13.194 -6.559 -15.260 1.00 0.00 N ATOM 0 H LYS A 45 9.443 -7.508 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 45 11.930 -6.242 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.140 -5.591 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.536 -4.622 -11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.619 -7.604 -12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.731 -6.594 -13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.819 -5.172 -13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.677 -6.343 -12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.307 -8.104 -14.113 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.167 -7.126 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.323 -7.173 -16.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.966 -5.595 -15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.071 -6.542 -14.702 1.00 0.00 H new ATOM 700 N LYS A 46 9.651 -4.528 -8.545 1.00 0.00 N ATOM 701 CA LYS A 46 9.467 -3.417 -7.619 1.00 0.00 C ATOM 702 C LYS A 46 8.705 -3.866 -6.376 1.00 0.00 C ATOM 703 O LYS A 46 7.479 -3.773 -6.304 1.00 0.00 O ATOM 704 CB LYS A 46 8.716 -2.273 -8.306 1.00 0.00 C ATOM 705 CG LYS A 46 8.768 -0.964 -7.537 1.00 0.00 C ATOM 706 CD LYS A 46 7.850 0.079 -8.151 1.00 0.00 C ATOM 707 CE LYS A 46 7.327 1.048 -7.101 1.00 0.00 C ATOM 708 NZ LYS A 46 6.774 2.287 -7.715 1.00 0.00 N ATOM 0 H LYS A 46 8.805 -5.067 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 46 10.452 -3.064 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.137 -2.118 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.674 -2.563 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.480 -1.138 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.791 -0.588 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.389 0.631 -8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.011 -0.416 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.553 0.559 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.133 1.311 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.428 2.921 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.519 2.767 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.988 2.039 -8.349 1.00 0.00 H new ATOM 722 N PRO A 47 9.446 -4.360 -5.374 1.00 0.00 N ATOM 723 CA PRO A 47 8.860 -4.831 -4.114 1.00 0.00 C ATOM 724 C PRO A 47 8.306 -3.688 -3.271 1.00 0.00 C ATOM 725 O PRO A 47 8.826 -2.573 -3.300 1.00 0.00 O ATOM 726 CB PRO A 47 10.040 -5.497 -3.402 1.00 0.00 C ATOM 727 CG PRO A 47 11.249 -4.830 -3.964 1.00 0.00 C ATOM 728 CD PRO A 47 10.911 -4.499 -5.392 1.00 0.00 C ATOM 0 HA PRO A 47 8.014 -5.498 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.979 -5.361 -2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.059 -6.571 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.495 -3.929 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.118 -5.486 -3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.398 -3.579 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.231 -5.287 -6.073 1.00 0.00 H new ATOM 736 N MET A 48 7.247 -3.973 -2.519 1.00 0.00 N ATOM 737 CA MET A 48 6.624 -2.968 -1.666 1.00 0.00 C ATOM 738 C MET A 48 6.173 -3.583 -0.345 1.00 0.00 C ATOM 739 O MET A 48 6.104 -4.803 -0.208 1.00 0.00 O ATOM 740 CB MET A 48 5.429 -2.333 -2.380 1.00 0.00 C ATOM 741 CG MET A 48 4.917 -1.072 -1.701 1.00 0.00 C ATOM 742 SD MET A 48 6.211 0.158 -1.455 1.00 0.00 S ATOM 743 CE MET A 48 6.836 0.333 -3.124 1.00 0.00 C ATOM 0 H MET A 48 6.803 -4.891 -2.483 1.00 0.00 H new ATOM 0 HA MET A 48 7.364 -2.196 -1.454 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.713 -2.095 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.620 -3.061 -2.435 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.119 -0.638 -2.303 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.482 -1.334 -0.736 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.181 1.355 -3.278 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.666 -0.357 -3.276 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.042 0.107 -3.836 1.00 0.00 H new ATOM 753 N ASP A 49 5.870 -2.728 0.626 1.00 0.00 N ATOM 754 CA ASP A 49 5.425 -3.186 1.937 1.00 0.00 C ATOM 755 C ASP A 49 4.746 -2.057 2.706 1.00 0.00 C ATOM 756 O ASP A 49 4.701 -0.917 2.246 1.00 0.00 O ATOM 757 CB ASP A 49 6.609 -3.728 2.740 1.00 0.00 C ATOM 758 CG ASP A 49 7.513 -4.618 1.911 1.00 0.00 C ATOM 759 OD1 ASP A 49 7.214 -5.825 1.797 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.519 -4.108 1.375 1.00 0.00 O ATOM 0 H ASP A 49 5.924 -1.714 0.530 1.00 0.00 H new ATOM 0 HA ASP A 49 4.700 -3.986 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.189 -2.894 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.236 -4.291 3.596 1.00 0.00 H new ATOM 765 N PHE A 50 4.218 -2.384 3.882 1.00 0.00 N ATOM 766 CA PHE A 50 3.539 -1.397 4.715 1.00 0.00 C ATOM 767 C PHE A 50 4.535 -0.400 5.298 1.00 0.00 C ATOM 768 O PHE A 50 4.231 0.784 5.448 1.00 0.00 O ATOM 769 CB PHE A 50 2.773 -2.091 5.843 1.00 0.00 C ATOM 770 CG PHE A 50 1.372 -2.478 5.467 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.539 -1.576 4.825 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.887 -3.743 5.756 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.752 -1.930 4.477 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.402 -4.103 5.411 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.223 -3.194 4.771 1.00 0.00 C ATOM 0 H PHE A 50 4.247 -3.323 4.279 1.00 0.00 H new ATOM 0 HA PHE A 50 2.833 -0.853 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.319 -2.984 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.739 -1.429 6.709 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.902 -0.585 4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.524 -4.457 6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.391 -1.218 3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.767 -5.093 5.641 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.231 -3.472 4.501 1.00 0.00 H new ATOM 785 N PHE A 51 5.727 -0.887 5.628 1.00 0.00 N ATOM 786 CA PHE A 51 6.769 -0.041 6.197 1.00 0.00 C ATOM 787 C PHE A 51 7.531 0.696 5.099 1.00 0.00 C ATOM 788 O PHE A 51 7.927 1.850 5.270 1.00 0.00 O ATOM 789 CB PHE A 51 7.739 -0.881 7.031 1.00 0.00 C ATOM 790 CG PHE A 51 9.103 -0.267 7.162 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.984 -0.271 6.092 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.505 0.315 8.354 1.00 0.00 C ATOM 793 CE1 PHE A 51 11.241 0.293 6.211 1.00 0.00 C ATOM 794 CE2 PHE A 51 10.760 0.879 8.477 1.00 0.00 C ATOM 795 CZ PHE A 51 11.629 0.869 7.405 1.00 0.00 C ATOM 0 H PHE A 51 5.995 -1.864 5.511 1.00 0.00 H new ATOM 0 HA PHE A 51 6.291 0.697 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.318 -1.027 8.026 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.835 -1.868 6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.686 -0.719 5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.829 0.328 9.196 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.919 0.283 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.061 1.328 9.412 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.610 1.310 7.499 1.00 0.00 H new ATOM 805 N THR A 52 7.733 0.021 3.972 1.00 0.00 N ATOM 806 CA THR A 52 8.449 0.610 2.847 1.00 0.00 C ATOM 807 C THR A 52 7.731 1.852 2.328 1.00 0.00 C ATOM 808 O THR A 52 8.322 2.927 2.234 1.00 0.00 O ATOM 809 CB THR A 52 8.607 -0.398 1.693 1.00 0.00 C ATOM 810 OG1 THR A 52 9.418 -1.500 2.112 1.00 0.00 O ATOM 811 CG2 THR A 52 9.236 0.267 0.477 1.00 0.00 C ATOM 0 H THR A 52 7.411 -0.934 3.814 1.00 0.00 H new ATOM 0 HA THR A 52 9.437 0.891 3.212 1.00 0.00 H new ATOM 0 HB THR A 52 7.616 -0.761 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.022 -2.338 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.338 -0.464 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.601 1.088 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.220 0.654 0.742 1.00 0.00 H new ATOM 819 N MET A 53 6.455 1.696 1.993 1.00 0.00 N ATOM 820 CA MET A 53 5.657 2.805 1.486 1.00 0.00 C ATOM 821 C MET A 53 5.667 3.974 2.465 1.00 0.00 C ATOM 822 O MET A 53 5.730 5.136 2.060 1.00 0.00 O ATOM 823 CB MET A 53 4.218 2.352 1.230 1.00 0.00 C ATOM 824 CG MET A 53 3.476 1.944 2.492 1.00 0.00 C ATOM 825 SD MET A 53 1.816 1.327 2.154 1.00 0.00 S ATOM 826 CE MET A 53 1.106 2.725 1.289 1.00 0.00 C ATOM 0 H MET A 53 5.951 0.812 2.064 1.00 0.00 H new ATOM 0 HA MET A 53 6.098 3.137 0.546 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.673 3.160 0.743 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.228 1.511 0.536 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.047 1.174 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.411 2.800 3.163 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.160 2.999 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.793 3.570 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.932 2.458 0.247 1.00 0.00 H new ATOM 836 N LYS A 54 5.606 3.662 3.755 1.00 0.00 N ATOM 837 CA LYS A 54 5.608 4.687 4.792 1.00 0.00 C ATOM 838 C LYS A 54 6.808 5.615 4.636 1.00 0.00 C ATOM 839 O LYS A 54 6.657 6.837 4.606 1.00 0.00 O ATOM 840 CB LYS A 54 5.630 4.037 6.178 1.00 0.00 C ATOM 841 CG LYS A 54 5.004 4.897 7.261 1.00 0.00 C ATOM 842 CD LYS A 54 5.778 6.188 7.466 1.00 0.00 C ATOM 843 CE LYS A 54 5.651 6.695 8.895 1.00 0.00 C ATOM 844 NZ LYS A 54 4.437 7.538 9.079 1.00 0.00 N ATOM 0 H LYS A 54 5.555 2.706 4.108 1.00 0.00 H new ATOM 0 HA LYS A 54 4.698 5.278 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.103 3.084 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.662 3.817 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.973 5.129 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.972 4.339 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.829 6.024 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.410 6.947 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.611 5.847 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.538 7.273 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.126 7.487 10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.659 8.524 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.677 7.192 8.460 1.00 0.00 H new ATOM 858 N GLN A 55 7.996 5.029 4.534 1.00 0.00 N ATOM 859 CA GLN A 55 9.220 5.805 4.379 1.00 0.00 C ATOM 860 C GLN A 55 9.100 6.784 3.215 1.00 0.00 C ATOM 861 O GLN A 55 9.297 7.987 3.380 1.00 0.00 O ATOM 862 CB GLN A 55 10.415 4.875 4.158 1.00 0.00 C ATOM 863 CG GLN A 55 10.582 3.832 5.250 1.00 0.00 C ATOM 864 CD GLN A 55 11.152 4.412 6.529 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.249 4.973 6.536 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.409 4.280 7.622 1.00 0.00 N ATOM 0 H GLN A 55 8.137 4.019 4.556 1.00 0.00 H new ATOM 0 HA GLN A 55 9.377 6.375 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.300 4.370 3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.324 5.473 4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.615 3.376 5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.238 3.038 4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.506 3.808 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.741 4.651 8.512 1.00 0.00 H new ATOM 875 N ASN A 56 8.778 6.259 2.037 1.00 0.00 N ATOM 876 CA ASN A 56 8.633 7.086 0.845 1.00 0.00 C ATOM 877 C ASN A 56 7.580 8.169 1.060 1.00 0.00 C ATOM 878 O ASN A 56 7.774 9.324 0.674 1.00 0.00 O ATOM 879 CB ASN A 56 8.252 6.221 -0.358 1.00 0.00 C ATOM 880 CG ASN A 56 9.219 5.072 -0.573 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.373 5.129 -0.148 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.751 4.022 -1.238 1.00 0.00 N ATOM 0 H ASN A 56 8.613 5.264 1.883 1.00 0.00 H new ATOM 0 HA ASN A 56 9.591 7.568 0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.247 5.824 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.224 6.841 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.355 3.220 -1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.787 4.018 -1.572 1.00 0.00 H new ATOM 889 N LEU A 57 6.467 7.791 1.676 1.00 0.00 N ATOM 890 CA LEU A 57 5.383 8.730 1.943 1.00 0.00 C ATOM 891 C LEU A 57 5.864 9.883 2.818 1.00 0.00 C ATOM 892 O LEU A 57 5.575 11.046 2.543 1.00 0.00 O ATOM 893 CB LEU A 57 4.215 8.013 2.623 1.00 0.00 C ATOM 894 CG LEU A 57 3.163 8.910 3.275 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.805 8.225 3.279 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.581 9.279 4.691 1.00 0.00 C ATOM 0 H LEU A 57 6.291 6.840 2.001 1.00 0.00 H new ATOM 0 HA LEU A 57 5.046 9.137 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.719 7.386 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.618 7.347 3.386 1.00 0.00 H new ATOM 0 HG LEU A 57 3.082 9.827 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.069 8.879 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.502 8.013 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.870 7.292 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.821 9.918 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.691 8.372 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.532 9.812 4.663 1.00 0.00 H new ATOM 908 N GLU A 58 6.603 9.551 3.872 1.00 0.00 N ATOM 909 CA GLU A 58 7.125 10.559 4.786 1.00 0.00 C ATOM 910 C GLU A 58 8.162 11.438 4.092 1.00 0.00 C ATOM 911 O GLU A 58 8.426 12.561 4.520 1.00 0.00 O ATOM 912 CB GLU A 58 7.747 9.893 6.015 1.00 0.00 C ATOM 913 CG GLU A 58 6.724 9.308 6.974 1.00 0.00 C ATOM 914 CD GLU A 58 6.243 10.316 8.000 1.00 0.00 C ATOM 915 OE1 GLU A 58 7.065 11.139 8.454 1.00 0.00 O ATOM 916 OE2 GLU A 58 5.045 10.279 8.349 1.00 0.00 O ATOM 0 H GLU A 58 6.853 8.592 4.114 1.00 0.00 H new ATOM 0 HA GLU A 58 6.294 11.188 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.420 9.100 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.354 10.626 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.870 8.937 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.161 8.452 7.488 1.00 0.00 H new ATOM 923 N ALA A 59 8.747 10.917 3.018 1.00 0.00 N ATOM 924 CA ALA A 59 9.753 11.653 2.263 1.00 0.00 C ATOM 925 C ALA A 59 9.105 12.536 1.201 1.00 0.00 C ATOM 926 O ALA A 59 9.775 13.017 0.287 1.00 0.00 O ATOM 927 CB ALA A 59 10.741 10.691 1.622 1.00 0.00 C ATOM 0 H ALA A 59 8.541 9.988 2.652 1.00 0.00 H new ATOM 0 HA ALA A 59 10.291 12.299 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.486 11.255 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.236 10.107 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.210 10.020 0.946 1.00 0.00 H new ATOM 933 N TYR A 60 7.800 12.744 1.327 1.00 0.00 N ATOM 934 CA TYR A 60 7.062 13.566 0.376 1.00 0.00 C ATOM 935 C TYR A 60 7.256 13.058 -1.050 1.00 0.00 C ATOM 936 O TYR A 60 7.394 13.845 -1.987 1.00 0.00 O ATOM 937 CB TYR A 60 7.509 15.025 0.475 1.00 0.00 C ATOM 938 CG TYR A 60 7.035 15.720 1.732 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.434 15.276 2.987 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.189 16.820 1.664 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.003 15.907 4.138 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.754 17.458 2.809 1.00 0.00 C ATOM 943 CZ TYR A 60 6.163 16.998 4.044 1.00 0.00 C ATOM 944 OH TYR A 60 5.731 17.630 5.187 1.00 0.00 O ATOM 0 H TYR A 60 7.231 12.355 2.079 1.00 0.00 H new ATOM 0 HA TYR A 60 6.003 13.500 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.598 15.066 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.138 15.570 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.092 14.423 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.866 17.182 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.322 15.549 5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.097 18.312 2.738 1.00 0.00 H new ATOM 0 HH TYR A 60 5.147 18.379 4.946 1.00 0.00 H new ATOM 954 N ARG A 61 7.266 11.738 -1.204 1.00 0.00 N ATOM 955 CA ARG A 61 7.445 11.124 -2.514 1.00 0.00 C ATOM 956 C ARG A 61 6.100 10.930 -3.211 1.00 0.00 C ATOM 957 O ARG A 61 6.029 10.878 -4.440 1.00 0.00 O ATOM 958 CB ARG A 61 8.158 9.778 -2.377 1.00 0.00 C ATOM 959 CG ARG A 61 9.646 9.904 -2.096 1.00 0.00 C ATOM 960 CD ARG A 61 10.416 8.702 -2.619 1.00 0.00 C ATOM 961 NE ARG A 61 11.861 8.914 -2.571 1.00 0.00 N ATOM 962 CZ ARG A 61 12.745 8.068 -3.089 1.00 0.00 C ATOM 963 NH1 ARG A 61 12.334 6.958 -3.688 1.00 0.00 N ATOM 964 NH2 ARG A 61 14.042 8.330 -3.005 1.00 0.00 N ATOM 0 H ARG A 61 7.152 11.074 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 61 8.057 11.792 -3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.692 9.209 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.017 9.207 -3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.029 10.813 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.808 10.002 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.159 7.822 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.114 8.497 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 61 12.210 9.757 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.337 6.752 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.015 6.310 -4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.361 9.181 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.720 7.680 -3.403 1.00 0.00 H new ATOM 978 N TYR A 62 5.040 10.823 -2.420 1.00 0.00 N ATOM 979 CA TYR A 62 3.699 10.632 -2.961 1.00 0.00 C ATOM 980 C TYR A 62 2.895 11.927 -2.894 1.00 0.00 C ATOM 981 O TYR A 62 2.611 12.442 -1.811 1.00 0.00 O ATOM 982 CB TYR A 62 2.970 9.527 -2.195 1.00 0.00 C ATOM 983 CG TYR A 62 3.702 8.203 -2.200 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.127 7.627 -3.390 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.968 7.530 -1.014 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.795 6.417 -3.399 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.637 6.322 -1.013 1.00 0.00 C ATOM 988 CZ TYR A 62 5.047 5.769 -2.208 1.00 0.00 C ATOM 989 OH TYR A 62 5.713 4.565 -2.213 1.00 0.00 O ATOM 0 H TYR A 62 5.082 10.865 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 62 3.795 10.338 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.823 9.848 -1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.980 9.387 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.932 8.133 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.646 7.959 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.118 5.982 -4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.838 5.813 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 62 5.811 4.242 -1.293 1.00 0.00 H new ATOM 999 N LEU A 63 2.529 12.449 -4.060 1.00 0.00 N ATOM 1000 CA LEU A 63 1.757 13.685 -4.137 1.00 0.00 C ATOM 1001 C LEU A 63 0.375 13.427 -4.731 1.00 0.00 C ATOM 1002 O LEU A 63 -0.563 14.186 -4.493 1.00 0.00 O ATOM 1003 CB LEU A 63 2.501 14.723 -4.978 1.00 0.00 C ATOM 1004 CG LEU A 63 3.984 14.909 -4.657 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.745 15.365 -5.892 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.163 15.907 -3.521 1.00 0.00 C ATOM 0 H LEU A 63 2.754 12.036 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 63 1.631 14.070 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.409 14.444 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.001 15.684 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 63 4.390 13.949 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.799 15.492 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.645 14.616 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.337 16.314 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.225 16.027 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.741 16.869 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.652 15.541 -2.631 1.00 0.00 H new ATOM 1018 N ASN A 64 0.261 12.351 -5.502 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.007 11.992 -6.129 1.00 0.00 C ATOM 1020 C ASN A 64 -1.471 10.615 -5.665 1.00 0.00 C ATOM 1021 O ASN A 64 -0.666 9.699 -5.499 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.869 12.010 -7.653 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.155 13.252 -8.153 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.786 14.260 -8.467 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.169 13.181 -8.230 1.00 0.00 N ATOM 0 H ASN A 64 1.030 11.713 -5.708 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.754 12.728 -5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.322 11.124 -7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.859 11.956 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.704 13.984 -8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.650 12.324 -7.959 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.777 10.476 -5.460 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.350 9.210 -5.016 1.00 0.00 C ATOM 1034 C PHE A 65 -2.873 8.059 -5.896 1.00 0.00 C ATOM 1035 O PHE A 65 -2.470 7.008 -5.397 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.879 9.283 -5.037 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.538 8.301 -4.111 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.530 8.506 -2.741 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.167 7.173 -4.611 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.135 7.603 -1.888 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.774 6.266 -3.763 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.760 6.482 -2.399 1.00 0.00 C ATOM 0 H PHE A 65 -3.458 11.224 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.015 9.026 -3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.191 10.292 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.230 9.104 -6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.045 9.382 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.183 7.000 -5.677 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.119 7.774 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.259 5.389 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.236 5.777 -1.734 1.00 0.00 H new ATOM 1052 N ASP A 66 -2.922 8.264 -7.207 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.496 7.243 -8.158 1.00 0.00 C ATOM 1054 C ASP A 66 -1.109 6.716 -7.802 1.00 0.00 C ATOM 1055 O ASP A 66 -0.753 5.590 -8.153 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.490 7.810 -9.578 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.826 8.412 -9.966 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.685 7.667 -10.483 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -4.012 9.629 -9.756 1.00 0.00 O ATOM 0 H ASP A 66 -3.253 9.128 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.204 6.416 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.714 8.572 -9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.234 7.018 -10.281 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.330 7.537 -7.106 1.00 0.00 N ATOM 1065 CA ASP A 67 1.018 7.153 -6.702 1.00 0.00 C ATOM 1066 C ASP A 67 0.994 6.400 -5.375 1.00 0.00 C ATOM 1067 O ASP A 67 1.648 5.368 -5.224 1.00 0.00 O ATOM 1068 CB ASP A 67 1.910 8.389 -6.585 1.00 0.00 C ATOM 1069 CG ASP A 67 2.140 9.066 -7.922 1.00 0.00 C ATOM 1070 OD1 ASP A 67 2.373 8.348 -8.918 1.00 0.00 O ATOM 1071 OD2 ASP A 67 2.086 10.313 -7.974 1.00 0.00 O ATOM 0 H ASP A 67 -0.609 8.472 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 67 1.425 6.492 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.453 9.099 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.870 8.101 -6.157 1.00 0.00 H new ATOM 1076 N PHE A 68 0.237 6.924 -4.417 1.00 0.00 N ATOM 1077 CA PHE A 68 0.130 6.303 -3.102 1.00 0.00 C ATOM 1078 C PHE A 68 -0.576 4.953 -3.194 1.00 0.00 C ATOM 1079 O PHE A 68 -0.378 4.079 -2.351 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.625 7.222 -2.140 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.976 6.567 -0.836 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.070 6.549 0.212 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.213 5.969 -0.657 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.390 5.946 1.413 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.540 5.364 0.543 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.628 5.353 1.580 1.00 0.00 C ATOM 0 H PHE A 68 -0.311 7.777 -4.527 1.00 0.00 H new ATOM 0 HA PHE A 68 1.138 6.141 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.017 8.105 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.540 7.566 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.898 7.012 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.930 5.975 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.326 5.938 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.507 4.901 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.881 4.883 2.519 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.402 4.793 -4.223 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.140 3.552 -4.424 1.00 0.00 C ATOM 1098 C GLU A 69 -1.333 2.570 -5.269 1.00 0.00 C ATOM 1099 O GLU A 69 -1.551 1.361 -5.211 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.485 3.835 -5.095 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.139 2.600 -5.692 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.438 2.915 -6.409 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -5.380 3.330 -7.585 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.511 2.747 -5.793 1.00 0.00 O ATOM 0 H GLU A 69 -1.577 5.507 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.318 3.103 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.161 4.276 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.340 4.576 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.448 2.130 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.332 1.877 -4.900 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.402 3.102 -6.055 1.00 0.00 N ATOM 1112 CA GLU A 70 0.436 2.274 -6.914 1.00 0.00 C ATOM 1113 C GLU A 70 1.287 1.317 -6.083 1.00 0.00 C ATOM 1114 O GLU A 70 1.393 0.132 -6.398 1.00 0.00 O ATOM 1115 CB GLU A 70 1.339 3.151 -7.784 1.00 0.00 C ATOM 1116 CG GLU A 70 2.238 2.360 -8.719 1.00 0.00 C ATOM 1117 CD GLU A 70 2.616 3.141 -9.963 1.00 0.00 C ATOM 1118 OE1 GLU A 70 1.734 3.817 -10.530 1.00 0.00 O ATOM 1119 OE2 GLU A 70 3.796 3.076 -10.368 1.00 0.00 O ATOM 0 H GLU A 70 -0.209 4.102 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.218 1.687 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.718 3.824 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.958 3.773 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.144 2.070 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.732 1.440 -9.012 1.00 0.00 H new ATOM 1126 N ASP A 71 1.893 1.841 -5.023 1.00 0.00 N ATOM 1127 CA ASP A 71 2.734 1.034 -4.147 1.00 0.00 C ATOM 1128 C ASP A 71 1.911 -0.038 -3.439 1.00 0.00 C ATOM 1129 O ASP A 71 2.255 -1.220 -3.468 1.00 0.00 O ATOM 1130 CB ASP A 71 3.432 1.922 -3.115 1.00 0.00 C ATOM 1131 CG ASP A 71 2.575 2.170 -1.889 1.00 0.00 C ATOM 1132 OD1 ASP A 71 2.384 1.222 -1.097 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.096 3.311 -1.721 1.00 0.00 O ATOM 0 H ASP A 71 1.817 2.821 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 71 3.488 0.541 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.368 1.454 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.687 2.877 -3.575 1.00 0.00 H new ATOM 1138 N PHE A 72 0.823 0.383 -2.803 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.049 -0.541 -2.086 1.00 0.00 C ATOM 1140 C PHE A 72 -0.422 -1.730 -2.965 1.00 0.00 C ATOM 1141 O PHE A 72 -0.502 -2.863 -2.493 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.316 0.179 -1.617 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.432 -0.754 -1.244 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.174 -1.395 -2.223 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.739 -0.990 0.087 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.201 -2.254 -1.882 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.766 -1.848 0.434 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.497 -2.481 -0.552 1.00 0.00 C ATOM 0 H PHE A 72 0.524 1.358 -2.769 1.00 0.00 H new ATOM 0 HA PHE A 72 0.493 -0.911 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.072 0.803 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.659 0.846 -2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.947 -1.221 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.169 -0.498 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.772 -2.748 -2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.996 -2.023 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.299 -3.153 -0.284 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.649 -1.464 -4.247 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.014 -2.511 -5.193 1.00 0.00 C ATOM 1160 C ASN A 73 0.102 -3.543 -5.321 1.00 0.00 C ATOM 1161 O ASN A 73 -0.156 -4.740 -5.456 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.323 -1.904 -6.564 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.757 -1.425 -6.674 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.698 -2.206 -6.528 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.932 -0.134 -6.933 1.00 0.00 N ATOM 0 H ASN A 73 -0.586 -0.531 -4.655 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.905 -3.012 -4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.648 -1.068 -6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.130 -2.646 -7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.875 0.246 -7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.124 0.478 -7.047 1.00 0.00 H new ATOM 1172 N LEU A 74 1.343 -3.071 -5.277 1.00 0.00 N ATOM 1173 CA LEU A 74 2.501 -3.952 -5.387 1.00 0.00 C ATOM 1174 C LEU A 74 2.561 -4.922 -4.211 1.00 0.00 C ATOM 1175 O LEU A 74 2.783 -6.119 -4.392 1.00 0.00 O ATOM 1176 CB LEU A 74 3.788 -3.130 -5.450 1.00 0.00 C ATOM 1177 CG LEU A 74 4.108 -2.485 -6.800 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.275 -1.520 -6.668 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.410 -3.552 -7.842 1.00 0.00 C ATOM 0 H LEU A 74 1.573 -2.084 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 74 2.401 -4.529 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.730 -2.343 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.621 -3.775 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 74 3.234 -1.922 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.488 -1.071 -7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.020 -0.737 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.155 -2.059 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.635 -3.075 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.268 -4.143 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.544 -4.203 -7.958 1.00 0.00 H new ATOM 1191 N ILE A 75 2.360 -4.397 -3.007 1.00 0.00 N ATOM 1192 CA ILE A 75 2.388 -5.217 -1.802 1.00 0.00 C ATOM 1193 C ILE A 75 1.541 -6.472 -1.972 1.00 0.00 C ATOM 1194 O ILE A 75 1.828 -7.513 -1.381 1.00 0.00 O ATOM 1195 CB ILE A 75 1.884 -4.433 -0.576 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.742 -3.185 -0.352 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.896 -5.319 0.661 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.119 -2.184 0.595 1.00 0.00 C ATOM 0 H ILE A 75 2.176 -3.408 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 75 3.427 -5.502 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 75 0.858 -4.117 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.713 -3.487 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.922 -2.701 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.537 -4.751 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.247 -6.179 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.913 -5.662 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.782 -1.326 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.161 -1.852 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.964 -2.651 1.568 1.00 0.00 H new ATOM 1210 N VAL A 76 0.494 -6.369 -2.786 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.395 -7.496 -3.036 1.00 0.00 C ATOM 1212 C VAL A 76 0.058 -8.293 -4.255 1.00 0.00 C ATOM 1213 O VAL A 76 0.185 -9.516 -4.198 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.847 -7.030 -3.253 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.713 -8.185 -3.732 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.408 -6.426 -1.974 1.00 0.00 C ATOM 0 H VAL A 76 0.242 -5.515 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.354 -8.133 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.852 -6.260 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.735 -7.836 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.320 -8.568 -4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.705 -8.980 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.435 -6.102 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.390 -7.173 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.801 -5.570 -1.679 1.00 0.00 H new ATOM 1226 N SER A 77 0.303 -7.590 -5.357 1.00 0.00 N ATOM 1227 CA SER A 77 0.740 -8.232 -6.591 1.00 0.00 C ATOM 1228 C SER A 77 2.020 -9.031 -6.365 1.00 0.00 C ATOM 1229 O SER A 77 2.022 -10.258 -6.453 1.00 0.00 O ATOM 1230 CB SER A 77 0.966 -7.185 -7.682 1.00 0.00 C ATOM 1231 OG SER A 77 0.783 -7.744 -8.971 1.00 0.00 O ATOM 0 H SER A 77 0.206 -6.577 -5.420 1.00 0.00 H new ATOM 0 HA SER A 77 -0.044 -8.918 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.275 -6.354 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.974 -6.779 -7.598 1.00 0.00 H new ATOM 0 HG SER A 77 0.931 -7.054 -9.651 1.00 0.00 H new ATOM 1237 N ASN A 78 3.107 -8.325 -6.073 1.00 0.00 N ATOM 1238 CA ASN A 78 4.394 -8.968 -5.834 1.00 0.00 C ATOM 1239 C ASN A 78 4.217 -10.270 -5.058 1.00 0.00 C ATOM 1240 O ASN A 78 4.868 -11.273 -5.354 1.00 0.00 O ATOM 1241 CB ASN A 78 5.324 -8.026 -5.065 1.00 0.00 C ATOM 1242 CG ASN A 78 5.686 -6.791 -5.867 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.749 -6.831 -7.096 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.928 -5.685 -5.173 1.00 0.00 N ATOM 0 H ASN A 78 3.123 -7.308 -5.996 1.00 0.00 H new ATOM 0 HA ASN A 78 4.840 -9.200 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.843 -7.724 -4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.235 -8.560 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.178 -4.823 -5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.864 -5.697 -4.155 1.00 0.00 H new ATOM 1251 N CYS A 79 3.333 -10.246 -4.068 1.00 0.00 N ATOM 1252 CA CYS A 79 3.069 -11.425 -3.250 1.00 0.00 C ATOM 1253 C CYS A 79 2.313 -12.483 -4.047 1.00 0.00 C ATOM 1254 O CYS A 79 2.607 -13.674 -3.951 1.00 0.00 O ATOM 1255 CB CYS A 79 2.269 -11.038 -2.005 1.00 0.00 C ATOM 1256 SG CYS A 79 2.107 -12.367 -0.790 1.00 0.00 S ATOM 0 H CYS A 79 2.787 -9.424 -3.812 1.00 0.00 H new ATOM 0 HA CYS A 79 4.027 -11.845 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.748 -10.182 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.273 -10.717 -2.311 1.00 0.00 H new ATOM 0 HG CYS A 79 0.958 -12.268 -0.189 1.00 0.00 H new ATOM 1262 N LEU A 80 1.339 -12.039 -4.833 1.00 0.00 N ATOM 1263 CA LEU A 80 0.539 -12.948 -5.647 1.00 0.00 C ATOM 1264 C LEU A 80 1.333 -13.443 -6.851 1.00 0.00 C ATOM 1265 O LEU A 80 0.931 -14.389 -7.528 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.740 -12.252 -6.116 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.739 -11.873 -5.023 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.823 -10.964 -5.581 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.351 -13.122 -4.405 1.00 0.00 C ATOM 0 H LEU A 80 1.084 -11.056 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 80 0.273 -13.808 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.460 -11.346 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.243 -12.904 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.206 -11.329 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.525 -10.705 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.368 -10.055 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.354 -11.480 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.060 -12.834 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.869 -13.693 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.563 -13.735 -3.967 1.00 0.00 H new ATOM 1281 N LYS A 81 2.466 -12.799 -7.111 1.00 0.00 N ATOM 1282 CA LYS A 81 3.321 -13.176 -8.231 1.00 0.00 C ATOM 1283 C LYS A 81 4.454 -14.087 -7.769 1.00 0.00 C ATOM 1284 O LYS A 81 4.870 -14.992 -8.492 1.00 0.00 O ATOM 1285 CB LYS A 81 3.899 -11.927 -8.901 1.00 0.00 C ATOM 1286 CG LYS A 81 5.254 -12.154 -9.546 1.00 0.00 C ATOM 1287 CD LYS A 81 5.663 -10.977 -10.415 1.00 0.00 C ATOM 1288 CE LYS A 81 5.970 -9.745 -9.577 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.706 -8.485 -10.325 1.00 0.00 N ATOM 0 H LYS A 81 2.814 -12.013 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 81 2.712 -13.720 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.200 -11.575 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.988 -11.135 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.004 -12.313 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.223 -13.060 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.540 -11.246 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.864 -10.749 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.365 -9.763 -8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.014 -9.770 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.927 -7.669 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.302 -8.456 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.704 -8.449 -10.602 1.00 0.00 H new ATOM 1303 N TYR A 82 4.947 -13.843 -6.560 1.00 0.00 N ATOM 1304 CA TYR A 82 6.033 -14.641 -6.002 1.00 0.00 C ATOM 1305 C TYR A 82 5.511 -15.972 -5.467 1.00 0.00 C ATOM 1306 O TYR A 82 5.956 -17.039 -5.887 1.00 0.00 O ATOM 1307 CB TYR A 82 6.738 -13.871 -4.884 1.00 0.00 C ATOM 1308 CG TYR A 82 8.116 -14.403 -4.559 1.00 0.00 C ATOM 1309 CD1 TYR A 82 9.051 -14.624 -5.561 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.480 -14.684 -3.247 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.310 -15.110 -5.268 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.738 -15.169 -2.945 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.650 -15.381 -3.959 1.00 0.00 C ATOM 1314 OH TYR A 82 11.903 -15.865 -3.662 1.00 0.00 O ATOM 0 H TYR A 82 4.612 -13.099 -5.947 1.00 0.00 H new ATOM 0 HA TYR A 82 6.747 -14.845 -6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.821 -12.823 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.122 -13.907 -3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.789 -14.412 -6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.768 -14.521 -2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.025 -15.277 -6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.006 -15.381 -1.921 1.00 0.00 H new ATOM 0 HH TYR A 82 12.302 -16.256 -4.467 1.00 0.00 H new ATOM 1324 N ASN A 83 4.562 -15.898 -4.539 1.00 0.00 N ATOM 1325 CA ASN A 83 3.979 -17.096 -3.946 1.00 0.00 C ATOM 1326 C ASN A 83 2.597 -17.374 -4.530 1.00 0.00 C ATOM 1327 O ASN A 83 2.065 -16.575 -5.300 1.00 0.00 O ATOM 1328 CB ASN A 83 3.881 -16.942 -2.427 1.00 0.00 C ATOM 1329 CG ASN A 83 5.085 -16.231 -1.839 1.00 0.00 C ATOM 1330 OD1 ASN A 83 6.223 -16.668 -2.010 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.838 -15.129 -1.141 1.00 0.00 N ATOM 0 H ASN A 83 4.181 -15.022 -4.182 1.00 0.00 H new ATOM 0 HA ASN A 83 4.629 -17.940 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.977 -16.386 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.785 -17.927 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.608 -14.608 -0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.878 -14.803 -1.025 1.00 0.00 H new ATOM 1338 N ALA A 84 2.021 -18.512 -4.157 1.00 0.00 N ATOM 1339 CA ALA A 84 0.701 -18.894 -4.641 1.00 0.00 C ATOM 1340 C ALA A 84 -0.274 -19.085 -3.484 1.00 0.00 C ATOM 1341 O ALA A 84 0.090 -18.925 -2.319 1.00 0.00 O ATOM 1342 CB ALA A 84 0.792 -20.166 -5.471 1.00 0.00 C ATOM 0 H ALA A 84 2.448 -19.185 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 84 0.324 -18.088 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.201 -20.440 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.449 -19.997 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.193 -20.973 -4.858 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.516 -19.425 -3.813 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.545 -19.638 -2.801 1.00 0.00 C ATOM 1350 C LYS A 85 -2.062 -20.610 -1.730 1.00 0.00 C ATOM 1351 O LYS A 85 -2.352 -20.438 -0.546 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.824 -20.172 -3.450 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.405 -19.244 -4.502 1.00 0.00 C ATOM 1354 CD LYS A 85 -5.158 -20.017 -5.572 1.00 0.00 C ATOM 1355 CE LYS A 85 -6.400 -20.688 -5.006 1.00 0.00 C ATOM 1356 NZ LYS A 85 -7.591 -19.797 -5.072 1.00 0.00 N ATOM 0 H LYS A 85 -1.835 -19.559 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.758 -18.680 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.613 -21.139 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.571 -20.342 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.077 -18.529 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.603 -18.669 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.444 -19.341 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.502 -20.771 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.601 -21.605 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.218 -20.975 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.416 -20.291 -4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.409 -18.933 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.781 -19.544 -6.063 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.322 -21.629 -2.152 1.00 0.00 N ATOM 1371 CA ASP A 86 -0.796 -22.627 -1.228 1.00 0.00 C ATOM 1372 C ASP A 86 -0.126 -21.959 -0.031 1.00 0.00 C ATOM 1373 O ASP A 86 -0.208 -22.451 1.096 1.00 0.00 O ATOM 1374 CB ASP A 86 0.201 -23.540 -1.942 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.242 -23.895 -3.347 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.006 -24.872 -3.499 1.00 0.00 O ATOM 1377 OD2 ASP A 86 0.173 -23.196 -4.295 1.00 0.00 O ATOM 0 H ASP A 86 -1.073 -21.786 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.631 -23.227 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.173 -23.049 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.331 -24.454 -1.363 1.00 0.00 H new ATOM 1382 N THR A 87 0.537 -20.835 -0.280 1.00 0.00 N ATOM 1383 CA THR A 87 1.222 -20.100 0.775 1.00 0.00 C ATOM 1384 C THR A 87 0.244 -19.253 1.580 1.00 0.00 C ATOM 1385 O THR A 87 -0.915 -19.093 1.196 1.00 0.00 O ATOM 1386 CB THR A 87 2.323 -19.188 0.202 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.743 -18.205 -0.663 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.354 -20.002 -0.566 1.00 0.00 C ATOM 0 H THR A 87 0.614 -20.413 -1.205 1.00 0.00 H new ATOM 0 HA THR A 87 1.680 -20.842 1.430 1.00 0.00 H new ATOM 0 HB THR A 87 2.822 -18.691 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.570 -18.604 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.122 -19.337 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.814 -20.730 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.866 -20.523 -1.390 1.00 0.00 H new ATOM 1396 N ILE A 88 0.718 -18.711 2.697 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.116 -17.878 3.554 1.00 0.00 C ATOM 1398 C ILE A 88 -0.160 -16.440 3.048 1.00 0.00 C ATOM 1399 O ILE A 88 -1.214 -15.942 2.652 1.00 0.00 O ATOM 1400 CB ILE A 88 0.390 -17.883 5.009 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.164 -19.096 5.760 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.004 -16.593 5.712 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.166 -19.095 7.236 1.00 0.00 C ATOM 0 H ILE A 88 1.675 -18.834 3.029 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.120 -18.302 3.526 1.00 0.00 H new ATOM 0 HB ILE A 88 1.478 -17.950 4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.247 -19.125 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.232 -20.005 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.361 -16.612 6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.434 -15.744 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.090 -16.497 5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.258 -19.983 7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.248 -19.097 7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.254 -18.204 7.702 1.00 0.00 H new ATOM 1415 N PHE A 89 0.991 -15.778 3.065 1.00 0.00 N ATOM 1416 CA PHE A 89 1.085 -14.396 2.608 1.00 0.00 C ATOM 1417 C PHE A 89 0.210 -14.170 1.378 1.00 0.00 C ATOM 1418 O PHE A 89 -0.232 -13.051 1.114 1.00 0.00 O ATOM 1419 CB PHE A 89 2.539 -14.041 2.285 1.00 0.00 C ATOM 1420 CG PHE A 89 3.536 -14.743 3.161 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.379 -14.757 4.538 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.630 -15.390 2.609 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.296 -15.401 5.347 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.549 -16.036 3.412 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.382 -16.043 4.783 1.00 0.00 C ATOM 0 H PHE A 89 1.872 -16.176 3.390 1.00 0.00 H new ATOM 0 HA PHE A 89 0.729 -13.749 3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.743 -14.291 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.673 -12.964 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.531 -14.259 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.766 -15.389 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.164 -15.403 6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.398 -16.535 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.099 -16.549 5.413 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.037 -15.239 0.630 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.856 -15.158 -0.573 1.00 0.00 C ATOM 1437 C TYR A 90 -2.310 -14.854 -0.223 1.00 0.00 C ATOM 1438 O TYR A 90 -2.933 -13.976 -0.819 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.772 -16.465 -1.362 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.421 -16.393 -2.726 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.800 -16.277 -2.855 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.656 -16.439 -3.885 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.397 -16.211 -4.099 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.244 -16.371 -5.132 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.615 -16.259 -5.235 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.206 -16.192 -6.476 1.00 0.00 O ATOM 0 H TYR A 90 0.319 -16.173 0.836 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.472 -14.345 -1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.276 -16.740 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.246 -17.259 -0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.415 -16.238 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.418 -16.530 -3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.470 -16.122 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.634 -16.405 -6.022 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.516 -16.238 -7.170 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.842 -15.587 0.749 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.221 -15.397 1.181 1.00 0.00 C ATOM 1458 C ARG A 91 -4.415 -14.014 1.794 1.00 0.00 C ATOM 1459 O ARG A 91 -5.348 -13.293 1.443 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.614 -16.475 2.194 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.699 -17.870 1.596 1.00 0.00 C ATOM 1462 CD ARG A 91 -5.064 -18.905 2.648 1.00 0.00 C ATOM 1463 NE ARG A 91 -6.510 -19.044 2.801 1.00 0.00 N ATOM 1464 CZ ARG A 91 -7.242 -18.276 3.600 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -6.666 -17.319 4.315 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -8.553 -18.464 3.685 1.00 0.00 N ATOM 0 H ARG A 91 -2.339 -16.318 1.252 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.863 -15.479 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.887 -16.481 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.579 -16.217 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.443 -17.881 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.743 -18.132 1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.634 -19.868 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.624 -18.621 3.604 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.984 -19.771 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.659 -17.171 4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.230 -16.730 4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.999 -19.199 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.114 -17.874 4.299 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.526 -13.650 2.712 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.598 -12.352 3.373 1.00 0.00 C ATOM 1482 C ALA A 92 -3.655 -11.220 2.355 1.00 0.00 C ATOM 1483 O ALA A 92 -4.443 -10.285 2.495 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.408 -12.168 4.304 1.00 0.00 C ATOM 0 H ALA A 92 -2.748 -14.235 3.015 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.515 -12.322 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.474 -11.195 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.413 -12.953 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.484 -12.224 3.729 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.814 -11.310 1.329 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.771 -10.293 0.286 1.00 0.00 C ATOM 1492 C ALA A 93 -4.109 -10.191 -0.437 1.00 0.00 C ATOM 1493 O ALA A 93 -4.580 -9.094 -0.739 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.656 -10.599 -0.703 1.00 0.00 C ATOM 0 H ALA A 93 -2.154 -12.077 1.198 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.569 -9.332 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.635 -9.832 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.700 -10.613 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.833 -11.572 -1.162 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.717 -11.340 -0.713 1.00 0.00 N ATOM 1501 CA VAL A 94 -6.002 -11.379 -1.401 1.00 0.00 C ATOM 1502 C VAL A 94 -7.064 -10.607 -0.627 1.00 0.00 C ATOM 1503 O VAL A 94 -7.913 -9.938 -1.217 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.484 -12.828 -1.607 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.953 -12.850 -2.004 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.630 -13.530 -2.651 1.00 0.00 C ATOM 0 H VAL A 94 -4.340 -12.256 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.854 -10.911 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.379 -13.366 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.276 -13.881 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.549 -12.387 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.087 -12.297 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.985 -14.552 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.701 -12.996 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.591 -13.546 -2.320 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.010 -10.703 0.697 1.00 0.00 N ATOM 1517 CA ARG A 95 -7.968 -10.013 1.554 1.00 0.00 C ATOM 1518 C ARG A 95 -7.730 -8.506 1.531 1.00 0.00 C ATOM 1519 O ARG A 95 -8.662 -7.722 1.348 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.869 -10.535 2.988 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.719 -9.756 3.979 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.166 -10.631 5.139 1.00 0.00 C ATOM 1523 NE ARG A 95 -9.500 -9.844 6.322 1.00 0.00 N ATOM 1524 CZ ARG A 95 -10.275 -10.287 7.306 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.794 -11.505 7.247 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -10.533 -9.510 8.351 1.00 0.00 N ATOM 0 H ARG A 95 -6.313 -11.252 1.200 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.969 -10.211 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.172 -11.582 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.828 -10.499 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.150 -8.908 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.593 -9.350 3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.034 -11.217 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.374 -11.338 5.386 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.117 -8.902 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.599 -12.104 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.389 -11.843 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.136 -8.572 8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.128 -9.851 9.106 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.476 -8.107 1.719 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.116 -6.694 1.722 1.00 0.00 C ATOM 1542 C LEU A 96 -6.589 -6.010 0.444 1.00 0.00 C ATOM 1543 O LEU A 96 -7.221 -4.954 0.491 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.602 -6.535 1.869 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.022 -6.865 3.244 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.504 -6.935 3.182 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.469 -5.835 4.272 1.00 0.00 C ATOM 0 H LEU A 96 -5.693 -8.742 1.871 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.609 -6.219 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.117 -7.172 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.340 -5.506 1.624 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.397 -7.842 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.110 -7.171 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.204 -7.710 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.109 -5.974 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.047 -6.085 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.124 -4.846 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.557 -5.835 4.338 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.281 -6.618 -0.697 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.675 -6.067 -1.988 1.00 0.00 C ATOM 1561 C ARG A 97 -8.190 -5.904 -2.069 1.00 0.00 C ATOM 1562 O ARG A 97 -8.689 -4.901 -2.581 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.188 -6.971 -3.122 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.725 -6.576 -4.488 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.461 -7.658 -5.524 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.886 -7.251 -6.861 1.00 0.00 N ATOM 1567 CZ ARG A 97 -6.132 -6.530 -7.683 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -4.922 -6.138 -7.307 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -6.588 -6.199 -8.884 1.00 0.00 N ATOM 0 H ARG A 97 -5.760 -7.493 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.214 -5.085 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.099 -6.951 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.482 -7.999 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.797 -6.390 -4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.260 -5.643 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.397 -7.894 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.986 -8.569 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.812 -7.536 -7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.568 -6.390 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.345 -5.584 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.518 -6.498 -9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.008 -5.645 -9.515 1.00 0.00 H new ATOM 1583 N GLU A 98 -8.916 -6.895 -1.560 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.373 -6.860 -1.576 1.00 0.00 C ATOM 1585 C GLU A 98 -10.903 -5.800 -0.614 1.00 0.00 C ATOM 1586 O GLU A 98 -11.487 -4.802 -1.035 1.00 0.00 O ATOM 1587 CB GLU A 98 -10.943 -8.231 -1.206 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.806 -9.265 -2.311 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.638 -8.927 -3.533 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.808 -8.528 -3.362 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.118 -9.062 -4.660 1.00 0.00 O ATOM 0 H GLU A 98 -8.519 -7.731 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.693 -6.602 -2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.437 -8.597 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.997 -8.120 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.758 -9.345 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.107 -10.241 -1.930 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.696 -6.027 0.679 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.153 -5.093 1.701 1.00 0.00 C ATOM 1600 C GLN A 99 -10.438 -3.751 1.572 1.00 0.00 C ATOM 1601 O GLN A 99 -11.076 -2.705 1.470 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.921 -5.676 3.096 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.462 -7.086 3.264 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.497 -7.530 4.712 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.272 -6.733 5.624 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.781 -8.809 4.934 1.00 0.00 N ATOM 0 H GLN A 99 -10.215 -6.849 1.044 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.221 -4.930 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.851 -5.679 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.389 -5.026 3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.468 -7.137 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.845 -7.778 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.961 -9.435 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.819 -9.165 5.889 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.109 -3.792 1.579 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.330 -2.574 1.463 1.00 0.00 C ATOM 1617 C GLY A 100 -8.905 -1.612 0.441 1.00 0.00 C ATOM 1618 O GLY A 100 -8.912 -0.401 0.654 1.00 0.00 O ATOM 0 H GLY A 100 -8.559 -4.647 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.284 -2.082 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.307 -2.826 1.185 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.385 -2.154 -0.673 1.00 0.00 N ATOM 1623 CA GLY A 101 -9.956 -1.322 -1.717 1.00 0.00 C ATOM 1624 C GLY A 101 -10.977 -0.339 -1.179 1.00 0.00 C ATOM 1625 O GLY A 101 -11.017 0.816 -1.601 1.00 0.00 O ATOM 0 H GLY A 101 -9.389 -3.154 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.158 -0.775 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.427 -1.957 -2.467 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.807 -0.799 -0.248 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.833 0.048 0.347 1.00 0.00 C ATOM 1631 C ALA A 102 -12.211 1.247 1.056 1.00 0.00 C ATOM 1632 O ALA A 102 -12.822 2.312 1.148 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.685 -0.757 1.316 1.00 0.00 C ATOM 0 H ALA A 102 -11.789 -1.754 0.110 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.470 0.423 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.447 -0.112 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.166 -1.577 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.053 -1.160 2.108 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.993 1.066 1.557 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.289 2.133 2.257 1.00 0.00 C ATOM 1641 C VAL A 103 -9.709 3.146 1.277 1.00 0.00 C ATOM 1642 O VAL A 103 -9.747 4.353 1.518 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.152 1.574 3.134 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.280 2.704 3.662 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.720 0.748 4.278 1.00 0.00 C ATOM 0 H VAL A 103 -10.474 0.191 1.491 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.021 2.628 2.895 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.529 0.923 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.483 2.290 4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.845 3.250 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.887 3.383 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.904 0.361 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.366 1.374 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.298 -0.084 3.875 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.172 2.646 0.169 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.584 3.508 -0.851 1.00 0.00 C ATOM 1657 C LEU A 104 -9.666 4.241 -1.637 1.00 0.00 C ATOM 1658 O LEU A 104 -9.432 5.321 -2.178 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.716 2.684 -1.804 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.380 2.195 -1.241 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.720 1.220 -2.205 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.459 3.372 -0.956 1.00 0.00 C ATOM 0 H LEU A 104 -9.132 1.650 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.961 4.249 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.290 1.816 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.516 3.284 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.571 1.674 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.771 0.883 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.374 0.362 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.541 1.716 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.513 3.006 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.274 3.921 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.929 4.034 -0.228 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.853 3.645 -1.694 1.00 0.00 N ATOM 1675 CA ARG A 105 -11.973 4.242 -2.412 1.00 0.00 C ATOM 1676 C ARG A 105 -12.677 5.287 -1.551 1.00 0.00 C ATOM 1677 O ARG A 105 -13.204 6.273 -2.064 1.00 0.00 O ATOM 1678 CB ARG A 105 -12.969 3.160 -2.837 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.622 2.499 -4.161 1.00 0.00 C ATOM 1680 CD ARG A 105 -13.866 2.001 -4.877 1.00 0.00 C ATOM 1681 NE ARG A 105 -14.743 3.097 -5.280 1.00 0.00 N ATOM 1682 CZ ARG A 105 -15.913 2.920 -5.883 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -16.345 1.696 -6.151 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -16.653 3.969 -6.218 1.00 0.00 N ATOM 0 H ARG A 105 -11.064 2.750 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.580 4.735 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.016 2.396 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.963 3.602 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.095 3.210 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.943 1.664 -3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.573 1.429 -5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.413 1.321 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.440 4.052 -5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.779 0.888 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.244 1.562 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.323 4.912 -6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.551 3.832 -6.681 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.682 5.060 -0.241 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.323 5.981 0.690 1.00 0.00 C ATOM 1700 C GLN A 106 -12.430 7.188 0.963 1.00 0.00 C ATOM 1701 O GLN A 106 -12.914 8.261 1.321 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.651 5.268 2.002 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.485 5.222 2.978 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.871 4.635 4.321 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.388 3.519 4.399 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.622 5.384 5.389 1.00 0.00 N ATOM 0 H GLN A 106 -12.250 4.247 0.199 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.249 6.332 0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.493 5.770 2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.970 4.249 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.678 4.631 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.099 6.231 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.192 6.303 5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.860 5.041 6.319 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.126 7.003 0.792 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.166 8.076 1.017 1.00 0.00 C ATOM 1717 C ALA A 107 -9.887 8.844 -0.270 1.00 0.00 C ATOM 1718 O ALA A 107 -9.536 10.024 -0.237 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.872 7.516 1.592 1.00 0.00 C ATOM 0 H ALA A 107 -10.710 6.119 0.498 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.599 8.771 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.164 8.329 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.080 7.020 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.444 6.797 0.893 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.044 8.167 -1.403 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.807 8.785 -2.702 1.00 0.00 C ATOM 1727 C ARG A 108 -10.673 10.029 -2.878 1.00 0.00 C ATOM 1728 O ARG A 108 -10.178 11.096 -3.241 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.094 7.787 -3.826 1.00 0.00 C ATOM 1730 CG ARG A 108 -10.212 8.431 -5.196 1.00 0.00 C ATOM 1731 CD ARG A 108 -9.970 7.424 -6.309 1.00 0.00 C ATOM 1732 NE ARG A 108 -11.101 6.516 -6.481 1.00 0.00 N ATOM 1733 CZ ARG A 108 -12.193 6.826 -7.171 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -12.300 8.013 -7.751 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -13.181 5.946 -7.282 1.00 0.00 N ATOM 0 H ARG A 108 -10.334 7.190 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.760 9.083 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.298 7.042 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.020 7.257 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.204 8.868 -5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.493 9.246 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.785 7.954 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.072 6.847 -6.087 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.050 5.594 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.543 8.691 -7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.140 8.248 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.102 5.031 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.019 6.185 -7.812 1.00 0.00 H new ATOM 1749 N ARG A 109 -11.969 9.883 -2.619 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.904 10.994 -2.751 1.00 0.00 C ATOM 1751 C ARG A 109 -12.401 12.220 -1.994 1.00 0.00 C ATOM 1752 O ARG A 109 -12.630 13.356 -2.412 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.285 10.591 -2.230 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.365 10.513 -0.714 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.530 9.646 -0.262 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.810 10.335 -0.398 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.982 9.710 -0.432 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -18.035 8.389 -0.339 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -19.104 10.407 -0.557 1.00 0.00 N ATOM 0 H ARG A 109 -12.395 9.007 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 109 -12.982 11.247 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.023 11.309 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.554 9.622 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.433 10.107 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.475 11.516 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.548 8.728 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.383 9.356 0.778 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.804 11.352 -0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.175 7.850 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.936 7.912 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -19.068 11.424 -0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -20.003 9.926 -0.583 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.718 11.982 -0.880 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.184 13.068 -0.065 1.00 0.00 C ATOM 1775 C GLN A 110 -10.077 13.811 -0.804 1.00 0.00 C ATOM 1776 O GLN A 110 -10.173 15.015 -1.040 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.652 12.524 1.262 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.673 11.706 2.037 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.380 11.667 3.525 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.039 10.619 4.075 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.511 12.812 4.185 1.00 0.00 N ATOM 0 H GLN A 110 -11.521 11.048 -0.520 1.00 0.00 H new ATOM 0 HA GLN A 110 -11.994 13.769 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.776 11.906 1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.322 13.358 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.666 12.125 1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.690 10.688 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.796 13.657 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.327 12.847 5.188 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.025 13.085 -1.169 1.00 0.00 N ATOM 1791 CA ALA A 111 -7.900 13.674 -1.882 1.00 0.00 C ATOM 1792 C ALA A 111 -8.379 14.531 -3.051 1.00 0.00 C ATOM 1793 O ALA A 111 -7.657 15.406 -3.526 1.00 0.00 O ATOM 1794 CB ALA A 111 -6.958 12.585 -2.376 1.00 0.00 C ATOM 0 H ALA A 111 -8.929 12.087 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.360 14.319 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.122 13.040 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.581 12.016 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.495 11.917 -3.050 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.600 14.271 -3.507 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.173 15.017 -4.620 1.00 0.00 C ATOM 1802 C GLU A 112 -11.032 16.173 -4.115 1.00 0.00 C ATOM 1803 O GLU A 112 -10.933 17.297 -4.607 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.011 14.093 -5.506 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.221 12.943 -6.105 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.780 12.483 -7.438 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -11.661 11.599 -7.439 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -10.333 13.008 -8.480 1.00 0.00 O ATOM 0 H GLU A 112 -10.211 13.550 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.353 15.427 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.835 13.689 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.452 14.679 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.183 13.250 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.220 12.106 -5.407 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.876 15.888 -3.129 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.754 16.901 -2.555 1.00 0.00 C ATOM 1817 C LYS A 113 -11.949 18.101 -2.063 1.00 0.00 C ATOM 1818 O LYS A 113 -12.491 19.191 -1.885 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.564 16.309 -1.401 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.869 16.410 -0.054 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.785 15.984 1.080 1.00 0.00 C ATOM 1822 CE LYS A 113 -13.243 16.424 2.432 1.00 0.00 C ATOM 1823 NZ LYS A 113 -13.089 17.902 2.512 1.00 0.00 N ATOM 0 H LYS A 113 -11.971 14.963 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.438 17.238 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.525 16.820 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.772 15.261 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.977 15.784 -0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.539 17.436 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.776 16.411 0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.900 14.900 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.915 16.086 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.279 15.948 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -13.479 18.243 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.081 18.150 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -13.600 18.347 1.723 1.00 0.00 H new ATOM 1837 N MET A 114 -10.655 17.891 -1.846 1.00 0.00 N ATOM 1838 CA MET A 114 -9.777 18.957 -1.377 1.00 0.00 C ATOM 1839 C MET A 114 -9.990 20.233 -2.186 1.00 0.00 C ATOM 1840 O MET A 114 -10.417 21.255 -1.650 1.00 0.00 O ATOM 1841 CB MET A 114 -8.314 18.519 -1.470 1.00 0.00 C ATOM 1842 CG MET A 114 -7.958 17.386 -0.521 1.00 0.00 C ATOM 1843 SD MET A 114 -7.419 17.976 1.095 1.00 0.00 S ATOM 1844 CE MET A 114 -6.767 16.467 1.805 1.00 0.00 C ATOM 0 H MET A 114 -10.191 16.994 -1.987 1.00 0.00 H new ATOM 0 HA MET A 114 -10.022 19.164 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.101 18.206 -2.492 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.673 19.375 -1.258 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.824 16.737 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.167 16.781 -0.965 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.051 16.714 2.589 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.583 15.883 2.230 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.270 15.885 1.029 1.00 0.00 H new