USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 34 CYS SG : rot -32:sc= -7.46! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.29) USER MOD Single : A 49 SER OG : rot -56:sc= 0.117 USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 61 SER OG : rot 180:sc= -2.72! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= -0.911 K(o=-0.91,f=-3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.4!) USER MOD Single : A 88 GLN : amide:sc= -4.15! K(o=-4.2!,f=-2.2) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 158:sc= -0.56 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.115 -0.677 0.474 1.00 0.00 N ATOM 2 CA MET A 23 -3.507 0.483 1.103 1.00 0.00 C ATOM 3 C MET A 23 -2.418 1.083 0.211 1.00 0.00 C ATOM 4 O MET A 23 -1.265 1.196 0.623 1.00 0.00 O ATOM 5 CB MET A 23 -2.899 0.075 2.447 1.00 0.00 C ATOM 6 CG MET A 23 -3.986 -0.108 3.507 1.00 0.00 C ATOM 7 SD MET A 23 -3.641 -1.557 4.490 1.00 0.00 S ATOM 8 CE MET A 23 -5.133 -1.630 5.469 1.00 0.00 C ATOM 0 HA MET A 23 -4.280 1.236 1.257 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.340 -0.853 2.330 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.190 0.835 2.775 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.034 0.773 4.147 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.960 -0.207 3.028 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.084 -2.485 6.144 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.232 -0.713 6.051 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.995 -1.737 4.811 1.00 0.00 H new ATOM 18 N SER A 24 -2.823 1.451 -0.996 1.00 0.00 N ATOM 19 CA SER A 24 -1.896 2.036 -1.950 1.00 0.00 C ATOM 20 C SER A 24 -1.534 3.459 -1.523 1.00 0.00 C ATOM 21 O SER A 24 -2.390 4.206 -1.049 1.00 0.00 O ATOM 22 CB SER A 24 -2.488 2.040 -3.361 1.00 0.00 C ATOM 23 OG SER A 24 -3.431 3.092 -3.542 1.00 0.00 O ATOM 0 H SER A 24 -3.780 1.355 -1.335 1.00 0.00 H new ATOM 0 HA SER A 24 -0.992 1.427 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.685 2.144 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.972 1.082 -3.554 1.00 0.00 H new ATOM 0 HG SER A 24 -3.784 3.061 -4.456 1.00 0.00 H new ATOM 29 N ILE A 25 -0.265 3.793 -1.705 1.00 0.00 N ATOM 30 CA ILE A 25 0.221 5.114 -1.344 1.00 0.00 C ATOM 31 C ILE A 25 -0.042 6.083 -2.499 1.00 0.00 C ATOM 32 O ILE A 25 0.069 5.708 -3.665 1.00 0.00 O ATOM 33 CB ILE A 25 1.689 5.048 -0.920 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.615 5.352 -2.099 1.00 0.00 C ATOM 35 CG2 ILE A 25 2.012 3.700 -0.270 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.661 6.854 -2.387 1.00 0.00 C ATOM 0 H ILE A 25 0.442 3.171 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.320 5.495 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 25 1.862 5.818 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.619 4.989 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.269 4.819 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.062 3.679 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.387 3.562 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.817 2.897 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.326 7.043 -3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.659 7.209 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.030 7.382 -1.508 1.00 0.00 H new ATOM 48 N GLU A 26 -0.386 7.309 -2.134 1.00 0.00 N ATOM 49 CA GLU A 26 -0.666 8.334 -3.125 1.00 0.00 C ATOM 50 C GLU A 26 0.252 9.540 -2.915 1.00 0.00 C ATOM 51 O GLU A 26 0.846 9.695 -1.849 1.00 0.00 O ATOM 52 CB GLU A 26 -2.137 8.751 -3.082 1.00 0.00 C ATOM 53 CG GLU A 26 -2.761 8.705 -4.479 1.00 0.00 C ATOM 54 CD GLU A 26 -2.533 7.342 -5.136 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.820 6.331 -4.460 1.00 0.00 O ATOM 56 OE2 GLU A 26 -2.077 7.342 -6.300 1.00 0.00 O ATOM 0 H GLU A 26 -0.477 7.616 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.469 7.919 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.687 8.090 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.221 9.759 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.830 8.906 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.329 9.489 -5.100 1.00 0.00 H new ATOM 63 N ILE A 27 0.340 10.364 -3.949 1.00 0.00 N ATOM 64 CA ILE A 27 1.176 11.551 -3.891 1.00 0.00 C ATOM 65 C ILE A 27 0.492 12.688 -4.653 1.00 0.00 C ATOM 66 O ILE A 27 -0.161 12.455 -5.669 1.00 0.00 O ATOM 67 CB ILE A 27 2.587 11.238 -4.391 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.324 10.319 -3.414 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.368 12.523 -4.669 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.755 11.085 -2.161 1.00 0.00 C ATOM 0 H ILE A 27 -0.154 10.233 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 27 1.295 11.883 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 27 2.503 10.702 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.677 9.488 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.199 9.890 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.368 12.272 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.849 13.107 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.444 13.108 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.276 10.409 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.421 11.900 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.875 11.492 -1.662 1.00 0.00 H new ATOM 82 N ASP A 28 0.665 13.894 -4.132 1.00 0.00 N ATOM 83 CA ASP A 28 0.073 15.068 -4.751 1.00 0.00 C ATOM 84 C ASP A 28 1.151 16.136 -4.944 1.00 0.00 C ATOM 85 O ASP A 28 1.382 16.958 -4.059 1.00 0.00 O ATOM 86 CB ASP A 28 -1.027 15.661 -3.867 1.00 0.00 C ATOM 87 CG ASP A 28 -2.311 16.045 -4.603 1.00 0.00 C ATOM 88 OD1 ASP A 28 -3.297 16.358 -3.900 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.279 16.019 -5.853 1.00 0.00 O ATOM 0 H ASP A 28 1.206 14.083 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.356 14.766 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.274 14.940 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.633 16.547 -3.368 1.00 0.00 H new ATOM 94 N SER A 29 1.782 16.090 -6.108 1.00 0.00 N ATOM 95 CA SER A 29 2.831 17.044 -6.429 1.00 0.00 C ATOM 96 C SER A 29 2.219 18.416 -6.718 1.00 0.00 C ATOM 97 O SER A 29 2.834 19.444 -6.441 1.00 0.00 O ATOM 98 CB SER A 29 3.659 16.569 -7.625 1.00 0.00 C ATOM 99 OG SER A 29 4.848 17.337 -7.789 1.00 0.00 O ATOM 0 H SER A 29 1.587 15.407 -6.841 1.00 0.00 H new ATOM 0 HA SER A 29 3.497 17.124 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.921 15.519 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.057 16.634 -8.532 1.00 0.00 H new ATOM 0 HG SER A 29 5.350 17.002 -8.561 1.00 0.00 H new ATOM 105 N GLU A 30 1.016 18.387 -7.272 1.00 0.00 N ATOM 106 CA GLU A 30 0.315 19.617 -7.602 1.00 0.00 C ATOM 107 C GLU A 30 0.310 20.564 -6.400 1.00 0.00 C ATOM 108 O GLU A 30 0.654 21.738 -6.529 1.00 0.00 O ATOM 109 CB GLU A 30 -1.110 19.325 -8.076 1.00 0.00 C ATOM 110 CG GLU A 30 -1.155 19.131 -9.593 1.00 0.00 C ATOM 111 CD GLU A 30 -2.585 19.258 -10.120 1.00 0.00 C ATOM 112 OE1 GLU A 30 -3.008 20.414 -10.342 1.00 0.00 O ATOM 113 OE2 GLU A 30 -3.224 18.197 -10.290 1.00 0.00 O ATOM 0 H GLU A 30 0.509 17.532 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 30 0.843 20.105 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.486 18.430 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.767 20.147 -7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.518 19.872 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.755 18.150 -9.850 1.00 0.00 H new ATOM 120 N GLN A 31 -0.084 20.018 -5.259 1.00 0.00 N ATOM 121 CA GLN A 31 -0.138 20.799 -4.035 1.00 0.00 C ATOM 122 C GLN A 31 1.087 20.510 -3.166 1.00 0.00 C ATOM 123 O GLN A 31 1.462 21.325 -2.324 1.00 0.00 O ATOM 124 CB GLN A 31 -1.432 20.525 -3.267 1.00 0.00 C ATOM 125 CG GLN A 31 -2.557 21.448 -3.741 1.00 0.00 C ATOM 126 CD GLN A 31 -2.867 22.519 -2.693 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.284 22.562 -1.621 1.00 0.00 O ATOM 128 NE2 GLN A 31 -3.813 23.378 -3.060 1.00 0.00 N ATOM 0 H GLN A 31 -0.369 19.044 -5.156 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.129 21.856 -4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.728 19.485 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.263 20.670 -2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.271 21.924 -4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.453 20.861 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.261 23.285 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.091 24.130 -2.430 1.00 0.00 H new ATOM 137 N GLY A 32 1.677 19.347 -3.399 1.00 0.00 N ATOM 138 CA GLY A 32 2.853 18.940 -2.648 1.00 0.00 C ATOM 139 C GLY A 32 2.457 18.192 -1.373 1.00 0.00 C ATOM 140 O GLY A 32 3.216 18.162 -0.406 1.00 0.00 O ATOM 0 H GLY A 32 1.363 18.673 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.482 18.301 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.446 19.817 -2.390 1.00 0.00 H new ATOM 144 N VAL A 33 1.269 17.607 -1.413 1.00 0.00 N ATOM 145 CA VAL A 33 0.763 16.861 -0.273 1.00 0.00 C ATOM 146 C VAL A 33 0.780 15.366 -0.599 1.00 0.00 C ATOM 147 O VAL A 33 0.831 14.982 -1.767 1.00 0.00 O ATOM 148 CB VAL A 33 -0.626 17.374 0.112 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.350 16.371 1.013 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.538 18.747 0.781 1.00 0.00 C ATOM 0 H VAL A 33 0.642 17.634 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 33 1.403 17.011 0.597 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.208 17.484 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.335 16.760 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.461 15.423 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.770 16.215 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.539 19.088 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.070 18.674 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.082 19.458 0.093 1.00 0.00 H new ATOM 160 N CYS A 34 0.735 14.563 0.454 1.00 0.00 N ATOM 161 CA CYS A 34 0.745 13.119 0.294 1.00 0.00 C ATOM 162 C CYS A 34 -0.458 12.545 1.046 1.00 0.00 C ATOM 163 O CYS A 34 -0.810 13.027 2.121 1.00 0.00 O ATOM 164 CB CYS A 34 2.062 12.506 0.772 1.00 0.00 C ATOM 165 SG CYS A 34 2.625 13.343 2.299 1.00 0.00 S ATOM 0 H CYS A 34 0.692 14.885 1.421 1.00 0.00 H new ATOM 0 HA CYS A 34 0.666 12.867 -0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.930 11.440 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.820 12.601 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 34 2.247 14.587 2.277 1.00 0.00 H new ATOM 171 N SER A 35 -1.055 11.523 0.450 1.00 0.00 N ATOM 172 CA SER A 35 -2.211 10.878 1.049 1.00 0.00 C ATOM 173 C SER A 35 -2.239 9.396 0.670 1.00 0.00 C ATOM 174 O SER A 35 -2.145 9.052 -0.507 1.00 0.00 O ATOM 175 CB SER A 35 -3.509 11.562 0.616 1.00 0.00 C ATOM 176 OG SER A 35 -4.497 11.530 1.643 1.00 0.00 O ATOM 0 H SER A 35 -0.760 11.126 -0.442 1.00 0.00 H new ATOM 0 HA SER A 35 -2.129 10.967 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.301 12.597 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.897 11.071 -0.276 1.00 0.00 H new ATOM 0 HG SER A 35 -5.310 11.978 1.329 1.00 0.00 H new ATOM 182 N VAL A 36 -2.368 8.560 1.689 1.00 0.00 N ATOM 183 CA VAL A 36 -2.409 7.123 1.477 1.00 0.00 C ATOM 184 C VAL A 36 -3.867 6.658 1.448 1.00 0.00 C ATOM 185 O VAL A 36 -4.729 7.267 2.080 1.00 0.00 O ATOM 186 CB VAL A 36 -1.576 6.412 2.546 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.129 6.688 3.945 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.501 4.909 2.272 1.00 0.00 C ATOM 0 H VAL A 36 -2.446 8.850 2.664 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.966 6.866 0.515 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.563 6.811 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.519 6.171 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.106 7.760 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.157 6.330 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.903 4.427 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.506 4.488 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.040 4.739 1.299 1.00 0.00 H new ATOM 198 N GLU A 37 -4.097 5.583 0.709 1.00 0.00 N ATOM 199 CA GLU A 37 -5.435 5.029 0.589 1.00 0.00 C ATOM 200 C GLU A 37 -5.712 4.059 1.740 1.00 0.00 C ATOM 201 O GLU A 37 -4.814 3.348 2.187 1.00 0.00 O ATOM 202 CB GLU A 37 -5.625 4.343 -0.765 1.00 0.00 C ATOM 203 CG GLU A 37 -6.963 4.735 -1.395 1.00 0.00 C ATOM 204 CD GLU A 37 -7.575 3.559 -2.158 1.00 0.00 C ATOM 205 OE1 GLU A 37 -6.782 2.757 -2.696 1.00 0.00 O ATOM 206 OE2 GLU A 37 -8.823 3.489 -2.187 1.00 0.00 O ATOM 0 H GLU A 37 -3.379 5.080 0.187 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.153 5.847 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.810 4.618 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.582 3.261 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.652 5.067 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.817 5.576 -2.072 1.00 0.00 H new ATOM 213 N ILE A 38 -6.960 4.061 2.185 1.00 0.00 N ATOM 214 CA ILE A 38 -7.368 3.190 3.274 1.00 0.00 C ATOM 215 C ILE A 38 -8.880 2.968 3.206 1.00 0.00 C ATOM 216 O ILE A 38 -9.577 3.648 2.454 1.00 0.00 O ATOM 217 CB ILE A 38 -6.887 3.748 4.615 1.00 0.00 C ATOM 218 CG1 ILE A 38 -6.414 5.196 4.468 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.810 2.852 5.228 1.00 0.00 C ATOM 220 CD1 ILE A 38 -6.074 5.803 5.831 1.00 0.00 C ATOM 0 H ILE A 38 -7.702 4.652 1.811 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.898 2.211 3.175 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.731 3.753 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.538 5.232 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.191 5.789 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.486 3.272 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.217 1.854 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.959 2.791 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.741 6.832 5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.959 5.788 6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.280 5.222 6.300 1.00 0.00 H new ATOM 232 N GLU A 39 -9.343 2.016 4.002 1.00 0.00 N ATOM 233 CA GLU A 39 -10.760 1.696 4.042 1.00 0.00 C ATOM 234 C GLU A 39 -11.593 2.979 4.037 1.00 0.00 C ATOM 235 O GLU A 39 -12.731 2.983 3.570 1.00 0.00 O ATOM 236 CB GLU A 39 -11.093 0.831 5.258 1.00 0.00 C ATOM 237 CG GLU A 39 -11.044 1.654 6.547 1.00 0.00 C ATOM 238 CD GLU A 39 -11.540 0.834 7.740 1.00 0.00 C ATOM 239 OE1 GLU A 39 -12.665 0.300 7.633 1.00 0.00 O ATOM 240 OE2 GLU A 39 -10.784 0.762 8.733 1.00 0.00 O ATOM 0 H GLU A 39 -8.762 1.455 4.625 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.008 1.121 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.085 0.395 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.387 0.003 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.023 1.989 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.657 2.548 6.435 1.00 0.00 H new ATOM 247 N GLY A 40 -10.994 4.038 4.563 1.00 0.00 N ATOM 248 CA GLY A 40 -11.667 5.324 4.625 1.00 0.00 C ATOM 249 C GLY A 40 -10.684 6.470 4.378 1.00 0.00 C ATOM 250 O GLY A 40 -10.354 7.219 5.296 1.00 0.00 O ATOM 0 H GLY A 40 -10.050 4.031 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.464 5.357 3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.136 5.446 5.601 1.00 0.00 H new ATOM 254 N SER A 41 -10.244 6.571 3.132 1.00 0.00 N ATOM 255 CA SER A 41 -9.305 7.613 2.753 1.00 0.00 C ATOM 256 C SER A 41 -9.660 8.921 3.461 1.00 0.00 C ATOM 257 O SER A 41 -10.792 9.395 3.367 1.00 0.00 O ATOM 258 CB SER A 41 -9.291 7.817 1.236 1.00 0.00 C ATOM 259 OG SER A 41 -8.630 9.024 0.866 1.00 0.00 O ATOM 0 H SER A 41 -10.520 5.949 2.373 1.00 0.00 H new ATOM 0 HA SER A 41 -8.307 7.301 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.794 6.971 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.315 7.835 0.863 1.00 0.00 H new ATOM 0 HG SER A 41 -8.641 9.117 -0.110 1.00 0.00 H new ATOM 265 N ARG A 42 -8.673 9.469 4.154 1.00 0.00 N ATOM 266 CA ARG A 42 -8.868 10.714 4.878 1.00 0.00 C ATOM 267 C ARG A 42 -7.565 11.144 5.556 1.00 0.00 C ATOM 268 O ARG A 42 -7.557 11.472 6.741 1.00 0.00 O ATOM 269 CB ARG A 42 -9.962 10.569 5.938 1.00 0.00 C ATOM 270 CG ARG A 42 -10.824 11.831 6.012 1.00 0.00 C ATOM 271 CD ARG A 42 -12.055 11.708 5.111 1.00 0.00 C ATOM 272 NE ARG A 42 -13.165 12.521 5.656 1.00 0.00 N ATOM 273 CZ ARG A 42 -14.412 12.515 5.166 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.715 11.738 4.116 1.00 0.00 N ATOM 275 NH2 ARG A 42 -15.355 13.285 5.724 1.00 0.00 N ATOM 0 H ARG A 42 -7.736 9.074 4.230 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.174 11.472 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.589 9.709 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.508 10.377 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.138 12.001 7.042 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.234 12.697 5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.812 12.040 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.360 10.664 5.038 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.968 13.124 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.996 11.152 3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.664 11.733 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.124 13.876 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.304 13.280 5.351 1.00 0.00 H new ATOM 289 N HIS A 43 -6.496 11.127 4.774 1.00 0.00 N ATOM 290 CA HIS A 43 -5.190 11.511 5.283 1.00 0.00 C ATOM 291 C HIS A 43 -4.773 12.850 4.671 1.00 0.00 C ATOM 292 O HIS A 43 -5.491 13.407 3.841 1.00 0.00 O ATOM 293 CB HIS A 43 -4.164 10.403 5.039 1.00 0.00 C ATOM 294 CG HIS A 43 -3.431 9.959 6.283 1.00 0.00 C ATOM 295 ND1 HIS A 43 -4.085 9.559 7.435 1.00 0.00 N ATOM 296 CD2 HIS A 43 -2.096 9.856 6.541 1.00 0.00 C ATOM 297 CE1 HIS A 43 -3.174 9.234 8.341 1.00 0.00 C ATOM 298 NE2 HIS A 43 -1.942 9.419 7.785 1.00 0.00 N ATOM 0 H HIS A 43 -6.507 10.853 3.791 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.243 11.646 6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.671 9.543 4.602 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.436 10.751 4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.299 10.090 5.851 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.372 8.884 9.343 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.050 9.249 8.249 1.00 0.00 H new ATOM 306 N ARG A 44 -3.615 13.327 5.103 1.00 0.00 N ATOM 307 CA ARG A 44 -3.095 14.590 4.607 1.00 0.00 C ATOM 308 C ARG A 44 -1.795 14.949 5.331 1.00 0.00 C ATOM 309 O ARG A 44 -1.760 15.006 6.560 1.00 0.00 O ATOM 310 CB ARG A 44 -4.108 15.719 4.804 1.00 0.00 C ATOM 311 CG ARG A 44 -4.417 16.416 3.477 1.00 0.00 C ATOM 312 CD ARG A 44 -5.864 16.911 3.441 1.00 0.00 C ATOM 313 NE ARG A 44 -5.922 18.261 2.837 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.616 18.526 1.560 1.00 0.00 C ATOM 315 NH1 ARG A 44 -5.228 17.536 0.744 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.698 19.782 1.099 1.00 0.00 N ATOM 0 H ARG A 44 -3.022 12.862 5.791 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.902 14.473 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.027 15.317 5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.716 16.444 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.738 17.257 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.244 15.726 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.479 16.219 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.273 16.937 4.451 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.213 19.038 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.166 16.580 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.995 17.738 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.993 20.535 1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.465 19.985 0.127 1.00 0.00 H new ATOM 330 N ALA A 45 -0.759 15.180 4.539 1.00 0.00 N ATOM 331 CA ALA A 45 0.539 15.532 5.089 1.00 0.00 C ATOM 332 C ALA A 45 1.467 15.973 3.955 1.00 0.00 C ATOM 333 O ALA A 45 1.196 15.701 2.786 1.00 0.00 O ATOM 334 CB ALA A 45 1.101 14.344 5.873 1.00 0.00 C ATOM 0 H ALA A 45 -0.792 15.130 3.521 1.00 0.00 H new ATOM 0 HA ALA A 45 0.447 16.367 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.075 14.608 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.420 14.089 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.209 13.487 5.208 1.00 0.00 H new ATOM 340 N PRO A 46 2.570 16.663 4.350 1.00 0.00 N ATOM 341 CA PRO A 46 3.539 17.144 3.380 1.00 0.00 C ATOM 342 C PRO A 46 4.403 15.997 2.853 1.00 0.00 C ATOM 343 O PRO A 46 4.767 15.093 3.604 1.00 0.00 O ATOM 344 CB PRO A 46 4.342 18.203 4.118 1.00 0.00 C ATOM 345 CG PRO A 46 4.106 17.949 5.598 1.00 0.00 C ATOM 346 CD PRO A 46 2.923 17.003 5.725 1.00 0.00 C ATOM 0 HA PRO A 46 3.070 17.566 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.402 18.130 3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.018 19.205 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.994 17.514 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.904 18.885 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.187 16.114 6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.089 17.479 6.242 1.00 0.00 H new ATOM 354 N VAL A 47 4.706 16.070 1.565 1.00 0.00 N ATOM 355 CA VAL A 47 5.521 15.049 0.929 1.00 0.00 C ATOM 356 C VAL A 47 6.978 15.221 1.363 1.00 0.00 C ATOM 357 O VAL A 47 7.754 14.267 1.339 1.00 0.00 O ATOM 358 CB VAL A 47 5.339 15.105 -0.589 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.526 14.461 -1.308 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.022 14.447 -1.008 1.00 0.00 C ATOM 0 H VAL A 47 4.402 16.820 0.945 1.00 0.00 H new ATOM 0 HA VAL A 47 5.203 14.055 1.245 1.00 0.00 H new ATOM 0 HB VAL A 47 5.298 16.154 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.371 14.514 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.441 14.992 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.612 13.418 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.917 14.500 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.021 13.403 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.189 14.968 -0.537 1.00 0.00 H new ATOM 370 N ASP A 48 7.306 16.445 1.751 1.00 0.00 N ATOM 371 CA ASP A 48 8.656 16.755 2.189 1.00 0.00 C ATOM 372 C ASP A 48 8.860 16.226 3.610 1.00 0.00 C ATOM 373 O ASP A 48 9.946 16.352 4.174 1.00 0.00 O ATOM 374 CB ASP A 48 8.896 18.266 2.209 1.00 0.00 C ATOM 375 CG ASP A 48 8.025 19.047 3.195 1.00 0.00 C ATOM 376 OD1 ASP A 48 8.202 18.819 4.411 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.202 19.853 2.711 1.00 0.00 O ATOM 0 H ASP A 48 6.660 17.234 1.771 1.00 0.00 H new ATOM 0 HA ASP A 48 9.352 16.289 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.943 18.449 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.725 18.659 1.207 1.00 0.00 H new ATOM 382 N SER A 49 7.798 15.646 4.150 1.00 0.00 N ATOM 383 CA SER A 49 7.846 15.097 5.494 1.00 0.00 C ATOM 384 C SER A 49 7.384 13.638 5.481 1.00 0.00 C ATOM 385 O SER A 49 6.554 13.240 6.296 1.00 0.00 O ATOM 386 CB SER A 49 6.985 15.918 6.456 1.00 0.00 C ATOM 387 OG SER A 49 7.227 15.573 7.817 1.00 0.00 O ATOM 0 H SER A 49 6.898 15.544 3.680 1.00 0.00 H new ATOM 0 HA SER A 49 8.877 15.142 5.844 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.189 16.979 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.932 15.761 6.224 1.00 0.00 H new ATOM 0 HG SER A 49 7.077 14.613 7.943 1.00 0.00 H new ATOM 393 N LEU A 50 7.943 12.882 4.547 1.00 0.00 N ATOM 394 CA LEU A 50 7.598 11.477 4.418 1.00 0.00 C ATOM 395 C LEU A 50 8.800 10.622 4.826 1.00 0.00 C ATOM 396 O LEU A 50 9.920 11.122 4.914 1.00 0.00 O ATOM 397 CB LEU A 50 7.082 11.179 3.008 1.00 0.00 C ATOM 398 CG LEU A 50 5.741 11.815 2.637 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.427 11.606 1.155 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.620 11.296 3.540 1.00 0.00 C ATOM 0 H LEU A 50 8.632 13.216 3.873 1.00 0.00 H new ATOM 0 HA LEU A 50 6.781 11.222 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.831 11.513 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.993 10.098 2.896 1.00 0.00 H new ATOM 0 HG LEU A 50 5.815 12.890 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.469 12.068 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.210 12.063 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.379 10.538 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.678 11.764 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.536 10.215 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.847 11.539 4.578 1.00 0.00 H new ATOM 412 N ARG A 51 8.526 9.348 5.063 1.00 0.00 N ATOM 413 CA ARG A 51 9.570 8.419 5.460 1.00 0.00 C ATOM 414 C ARG A 51 9.112 6.977 5.234 1.00 0.00 C ATOM 415 O ARG A 51 7.966 6.633 5.522 1.00 0.00 O ATOM 416 CB ARG A 51 9.942 8.604 6.933 1.00 0.00 C ATOM 417 CG ARG A 51 11.312 7.992 7.234 1.00 0.00 C ATOM 418 CD ARG A 51 12.386 9.076 7.339 1.00 0.00 C ATOM 419 NE ARG A 51 12.370 9.675 8.692 1.00 0.00 N ATOM 420 CZ ARG A 51 13.191 10.657 9.089 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.097 11.157 8.238 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.105 11.139 10.336 1.00 0.00 N ATOM 0 H ARG A 51 7.596 8.937 4.988 1.00 0.00 H new ATOM 0 HA ARG A 51 10.447 8.625 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.952 9.666 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.185 8.138 7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.266 7.429 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.579 7.285 6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.367 8.648 7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.211 9.847 6.589 1.00 0.00 H new ATOM 0 HE ARG A 51 11.691 9.318 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.162 10.790 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.722 11.904 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.415 10.759 10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.730 11.886 10.638 1.00 0.00 H new ATOM 436 N ILE A 52 10.030 6.171 4.720 1.00 0.00 N ATOM 437 CA ILE A 52 9.734 4.774 4.453 1.00 0.00 C ATOM 438 C ILE A 52 10.314 3.910 5.575 1.00 0.00 C ATOM 439 O ILE A 52 11.417 4.169 6.055 1.00 0.00 O ATOM 440 CB ILE A 52 10.224 4.380 3.058 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.508 5.192 1.976 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.083 2.874 2.832 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.476 4.430 0.650 1.00 0.00 C ATOM 0 H ILE A 52 10.979 6.459 4.482 1.00 0.00 H new ATOM 0 HA ILE A 52 8.657 4.608 4.447 1.00 0.00 H new ATOM 0 HB ILE A 52 11.286 4.617 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.490 5.414 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.014 6.147 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.438 2.621 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.674 2.338 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.035 2.588 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.962 5.029 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.496 4.231 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.948 3.486 0.785 1.00 0.00 H new ATOM 455 N GLY A 53 9.546 2.902 5.959 1.00 0.00 N ATOM 456 CA GLY A 53 9.969 1.999 7.016 1.00 0.00 C ATOM 457 C GLY A 53 10.155 0.577 6.480 1.00 0.00 C ATOM 458 O GLY A 53 9.835 0.299 5.325 1.00 0.00 O ATOM 0 H GLY A 53 8.633 2.690 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.904 2.353 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.228 1.996 7.815 1.00 0.00 H new ATOM 462 N THR A 54 10.670 -0.284 7.345 1.00 0.00 N ATOM 463 CA THR A 54 10.901 -1.670 6.974 1.00 0.00 C ATOM 464 C THR A 54 10.109 -2.606 7.888 1.00 0.00 C ATOM 465 O THR A 54 10.106 -2.434 9.106 1.00 0.00 O ATOM 466 CB THR A 54 12.410 -1.922 7.005 1.00 0.00 C ATOM 467 OG1 THR A 54 12.954 -0.872 6.211 1.00 0.00 O ATOM 468 CG2 THR A 54 12.806 -3.197 6.259 1.00 0.00 C ATOM 0 H THR A 54 10.934 -0.049 8.302 1.00 0.00 H new ATOM 0 HA THR A 54 10.544 -1.875 5.965 1.00 0.00 H new ATOM 0 HB THR A 54 12.745 -1.988 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.930 -0.958 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.887 -3.329 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.313 -4.055 6.717 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.501 -3.118 5.216 1.00 0.00 H new ATOM 476 N ASP A 55 9.457 -3.577 7.265 1.00 0.00 N ATOM 477 CA ASP A 55 8.663 -4.541 8.008 1.00 0.00 C ATOM 478 C ASP A 55 9.419 -5.870 8.080 1.00 0.00 C ATOM 479 O ASP A 55 9.352 -6.677 7.155 1.00 0.00 O ATOM 480 CB ASP A 55 7.322 -4.798 7.318 1.00 0.00 C ATOM 481 CG ASP A 55 6.093 -4.638 8.215 1.00 0.00 C ATOM 482 OD1 ASP A 55 5.131 -5.407 8.003 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.143 -3.750 9.094 1.00 0.00 O ATOM 0 H ASP A 55 9.462 -3.717 6.255 1.00 0.00 H new ATOM 0 HA ASP A 55 8.485 -4.135 9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.228 -4.115 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.327 -5.809 6.911 1.00 0.00 H new ATOM 488 N ALA A 56 10.121 -6.055 9.189 1.00 0.00 N ATOM 489 CA ALA A 56 10.889 -7.271 9.394 1.00 0.00 C ATOM 490 C ALA A 56 9.933 -8.463 9.485 1.00 0.00 C ATOM 491 O ALA A 56 10.364 -9.614 9.428 1.00 0.00 O ATOM 492 CB ALA A 56 11.756 -7.122 10.646 1.00 0.00 C ATOM 0 H ALA A 56 10.174 -5.383 9.955 1.00 0.00 H new ATOM 0 HA ALA A 56 11.559 -7.449 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.332 -8.034 10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.436 -6.280 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.118 -6.946 11.512 1.00 0.00 H new ATOM 498 N GLU A 57 8.654 -8.146 9.623 1.00 0.00 N ATOM 499 CA GLU A 57 7.634 -9.176 9.722 1.00 0.00 C ATOM 500 C GLU A 57 7.589 -10.002 8.435 1.00 0.00 C ATOM 501 O GLU A 57 7.422 -11.220 8.481 1.00 0.00 O ATOM 502 CB GLU A 57 6.266 -8.565 10.030 1.00 0.00 C ATOM 503 CG GLU A 57 5.884 -8.787 11.495 1.00 0.00 C ATOM 504 CD GLU A 57 4.793 -9.853 11.622 1.00 0.00 C ATOM 505 OE1 GLU A 57 5.068 -10.868 12.297 1.00 0.00 O ATOM 506 OE2 GLU A 57 3.710 -9.628 11.040 1.00 0.00 O ATOM 0 H GLU A 57 8.301 -7.190 9.669 1.00 0.00 H new ATOM 0 HA GLU A 57 7.893 -9.839 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.283 -7.497 9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.511 -9.010 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.764 -9.093 12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.535 -7.850 11.929 1.00 0.00 H new ATOM 513 N ALA A 58 7.739 -9.307 7.318 1.00 0.00 N ATOM 514 CA ALA A 58 7.717 -9.962 6.021 1.00 0.00 C ATOM 515 C ALA A 58 8.889 -9.454 5.178 1.00 0.00 C ATOM 516 O ALA A 58 8.935 -9.685 3.971 1.00 0.00 O ATOM 517 CB ALA A 58 6.365 -9.716 5.348 1.00 0.00 C ATOM 0 H ALA A 58 7.876 -8.297 7.284 1.00 0.00 H new ATOM 0 HA ALA A 58 7.834 -11.040 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.348 -10.207 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.569 -10.121 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.214 -8.645 5.216 1.00 0.00 H new ATOM 523 N ARG A 59 9.806 -8.771 5.847 1.00 0.00 N ATOM 524 CA ARG A 59 10.974 -8.229 5.175 1.00 0.00 C ATOM 525 C ARG A 59 10.552 -7.431 3.939 1.00 0.00 C ATOM 526 O ARG A 59 11.089 -7.635 2.851 1.00 0.00 O ATOM 527 CB ARG A 59 11.933 -9.343 4.752 1.00 0.00 C ATOM 528 CG ARG A 59 13.321 -8.782 4.437 1.00 0.00 C ATOM 529 CD ARG A 59 14.157 -9.794 3.651 1.00 0.00 C ATOM 530 NE ARG A 59 14.662 -9.175 2.406 1.00 0.00 N ATOM 531 CZ ARG A 59 15.695 -9.650 1.696 1.00 0.00 C ATOM 532 NH1 ARG A 59 16.339 -10.752 2.105 1.00 0.00 N ATOM 533 NH2 ARG A 59 16.085 -9.022 0.578 1.00 0.00 N ATOM 0 H ARG A 59 9.763 -8.581 6.848 1.00 0.00 H new ATOM 0 HA ARG A 59 11.487 -7.573 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.009 -10.084 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.537 -9.856 3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.223 -7.861 3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.832 -8.525 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.992 -10.139 4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.553 -10.670 3.413 1.00 0.00 H new ATOM 0 HE ARG A 59 14.195 -8.334 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.043 -11.229 2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.125 -11.113 1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.596 -8.183 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.871 -9.383 0.038 1.00 0.00 H new ATOM 547 N LEU A 60 9.595 -6.539 4.148 1.00 0.00 N ATOM 548 CA LEU A 60 9.095 -5.710 3.064 1.00 0.00 C ATOM 549 C LEU A 60 9.083 -4.247 3.511 1.00 0.00 C ATOM 550 O LEU A 60 9.166 -3.958 4.704 1.00 0.00 O ATOM 551 CB LEU A 60 7.734 -6.218 2.585 1.00 0.00 C ATOM 552 CG LEU A 60 6.510 -5.502 3.160 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.284 -5.708 2.269 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.249 -5.937 4.604 1.00 0.00 C ATOM 0 H LEU A 60 9.152 -6.372 5.052 1.00 0.00 H new ATOM 0 HA LEU A 60 9.755 -5.774 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.700 -6.137 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.658 -7.278 2.828 1.00 0.00 H new ATOM 0 HG LEU A 60 6.718 -4.432 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.429 -5.189 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.486 -5.310 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.063 -6.773 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.374 -5.414 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.071 -7.012 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.116 -5.696 5.219 1.00 0.00 H new ATOM 566 N SER A 61 8.979 -3.363 2.530 1.00 0.00 N ATOM 567 CA SER A 61 8.955 -1.937 2.808 1.00 0.00 C ATOM 568 C SER A 61 7.553 -1.513 3.252 1.00 0.00 C ATOM 569 O SER A 61 6.557 -2.054 2.774 1.00 0.00 O ATOM 570 CB SER A 61 9.390 -1.130 1.582 1.00 0.00 C ATOM 571 OG SER A 61 10.583 -1.647 0.999 1.00 0.00 O ATOM 0 H SER A 61 8.910 -3.606 1.542 1.00 0.00 H new ATOM 0 HA SER A 61 9.661 -1.734 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.591 -1.138 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.548 -0.090 1.869 1.00 0.00 H new ATOM 0 HG SER A 61 10.827 -1.106 0.219 1.00 0.00 H new ATOM 577 N VAL A 62 7.521 -0.550 4.161 1.00 0.00 N ATOM 578 CA VAL A 62 6.258 -0.048 4.675 1.00 0.00 C ATOM 579 C VAL A 62 6.210 1.471 4.502 1.00 0.00 C ATOM 580 O VAL A 62 7.193 2.084 4.090 1.00 0.00 O ATOM 581 CB VAL A 62 6.071 -0.491 6.127 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.442 -1.884 6.200 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.398 -0.448 6.889 1.00 0.00 C ATOM 0 H VAL A 62 8.349 -0.104 4.555 1.00 0.00 H new ATOM 0 HA VAL A 62 5.423 -0.466 4.112 1.00 0.00 H new ATOM 0 HB VAL A 62 5.387 0.210 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.320 -2.174 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.468 -1.869 5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.089 -2.602 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.237 -0.768 7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.114 -1.115 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.789 0.570 6.882 1.00 0.00 H new ATOM 593 N LEU A 63 5.056 2.035 4.826 1.00 0.00 N ATOM 594 CA LEU A 63 4.866 3.471 4.711 1.00 0.00 C ATOM 595 C LEU A 63 4.861 4.093 6.109 1.00 0.00 C ATOM 596 O LEU A 63 4.087 3.682 6.972 1.00 0.00 O ATOM 597 CB LEU A 63 3.610 3.783 3.894 1.00 0.00 C ATOM 598 CG LEU A 63 3.297 5.266 3.686 1.00 0.00 C ATOM 599 CD1 LEU A 63 2.094 5.446 2.758 1.00 0.00 C ATOM 600 CD2 LEU A 63 3.099 5.978 5.026 1.00 0.00 C ATOM 0 H LEU A 63 4.243 1.523 5.168 1.00 0.00 H new ATOM 0 HA LEU A 63 5.693 3.922 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.711 3.313 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.756 3.317 4.385 1.00 0.00 H new ATOM 0 HG LEU A 63 4.153 5.731 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.892 6.509 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.311 4.995 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.221 4.962 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.878 7.031 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.270 5.518 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.008 5.893 5.621 1.00 0.00 H new ATOM 612 N TYR A 64 5.733 5.075 6.288 1.00 0.00 N ATOM 613 CA TYR A 64 5.838 5.758 7.566 1.00 0.00 C ATOM 614 C TYR A 64 5.468 7.236 7.430 1.00 0.00 C ATOM 615 O TYR A 64 6.093 7.968 6.664 1.00 0.00 O ATOM 616 CB TYR A 64 7.306 5.648 7.983 1.00 0.00 C ATOM 617 CG TYR A 64 7.530 4.845 9.266 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.673 5.499 10.473 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.589 3.467 9.217 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.884 4.743 11.681 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.800 2.712 10.424 1.00 0.00 C ATOM 622 CZ TYR A 64 7.937 3.387 11.597 1.00 0.00 C ATOM 623 OH TYR A 64 8.136 2.674 12.737 1.00 0.00 O ATOM 0 H TYR A 64 6.373 5.414 5.569 1.00 0.00 H new ATOM 0 HA TYR A 64 5.161 5.313 8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.869 5.184 7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.711 6.651 8.119 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.627 6.577 10.512 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.477 2.955 8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.998 5.242 12.632 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.848 1.633 10.399 1.00 0.00 H new ATOM 0 HH TYR A 64 8.150 1.717 12.526 1.00 0.00 H new ATOM 633 N ILE A 65 4.454 7.632 8.185 1.00 0.00 N ATOM 634 CA ILE A 65 3.993 9.009 8.158 1.00 0.00 C ATOM 635 C ILE A 65 3.498 9.404 9.551 1.00 0.00 C ATOM 636 O ILE A 65 2.701 8.690 10.156 1.00 0.00 O ATOM 637 CB ILE A 65 2.949 9.204 7.057 1.00 0.00 C ATOM 638 CG1 ILE A 65 2.503 10.665 6.976 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.766 8.253 7.248 1.00 0.00 C ATOM 640 CD1 ILE A 65 1.504 10.871 5.835 1.00 0.00 C ATOM 0 H ILE A 65 3.938 7.022 8.820 1.00 0.00 H new ATOM 0 HA ILE A 65 4.815 9.680 7.908 1.00 0.00 H new ATOM 0 HB ILE A 65 3.411 8.955 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.048 10.963 7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.371 11.306 6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.039 8.413 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.119 7.222 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.296 8.446 8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.203 11.918 5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.970 10.595 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.626 10.247 6.003 1.00 0.00 H new ATOM 652 N ASP A 66 3.993 10.541 10.019 1.00 0.00 N ATOM 653 CA ASP A 66 3.611 11.040 11.329 1.00 0.00 C ATOM 654 C ASP A 66 4.043 10.035 12.398 1.00 0.00 C ATOM 655 O ASP A 66 3.583 10.098 13.537 1.00 0.00 O ATOM 656 CB ASP A 66 2.094 11.216 11.431 1.00 0.00 C ATOM 657 CG ASP A 66 1.635 12.576 11.960 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.655 12.582 12.736 1.00 0.00 O ATOM 659 OD2 ASP A 66 2.275 13.579 11.576 1.00 0.00 O ATOM 0 H ASP A 66 4.655 11.130 9.514 1.00 0.00 H new ATOM 0 HA ASP A 66 4.097 12.005 11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.658 11.061 10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.696 10.437 12.081 1.00 0.00 H new ATOM 664 N GLY A 67 4.923 9.131 11.994 1.00 0.00 N ATOM 665 CA GLY A 67 5.423 8.114 12.903 1.00 0.00 C ATOM 666 C GLY A 67 4.453 6.934 12.993 1.00 0.00 C ATOM 667 O GLY A 67 4.219 6.398 14.075 1.00 0.00 O ATOM 0 H GLY A 67 5.303 9.082 11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.397 7.763 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.569 8.546 13.893 1.00 0.00 H new ATOM 671 N LYS A 68 3.914 6.563 11.840 1.00 0.00 N ATOM 672 CA LYS A 68 2.975 5.457 11.774 1.00 0.00 C ATOM 673 C LYS A 68 3.595 4.314 10.967 1.00 0.00 C ATOM 674 O LYS A 68 4.637 4.489 10.337 1.00 0.00 O ATOM 675 CB LYS A 68 1.625 5.931 11.232 1.00 0.00 C ATOM 676 CG LYS A 68 1.600 5.879 9.703 1.00 0.00 C ATOM 677 CD LYS A 68 0.687 4.755 9.208 1.00 0.00 C ATOM 678 CE LYS A 68 -0.780 5.188 9.236 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.670 4.005 9.212 1.00 0.00 N ATOM 0 H LYS A 68 4.110 7.010 10.944 1.00 0.00 H new ATOM 0 HA LYS A 68 2.773 5.070 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.828 5.306 11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.431 6.950 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.254 6.834 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.610 5.725 9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.968 4.474 8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.821 3.871 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.974 5.778 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.993 5.828 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.662 4.316 9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.496 3.457 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.478 3.409 10.042 1.00 0.00 H new ATOM 693 N ARG A 69 2.928 3.170 11.013 1.00 0.00 N ATOM 694 CA ARG A 69 3.401 2.000 10.293 1.00 0.00 C ATOM 695 C ARG A 69 2.227 1.273 9.633 1.00 0.00 C ATOM 696 O ARG A 69 1.302 0.833 10.315 1.00 0.00 O ATOM 697 CB ARG A 69 4.128 1.034 11.230 1.00 0.00 C ATOM 698 CG ARG A 69 4.726 -0.140 10.452 1.00 0.00 C ATOM 699 CD ARG A 69 3.641 -1.139 10.047 1.00 0.00 C ATOM 700 NE ARG A 69 4.132 -2.523 10.234 1.00 0.00 N ATOM 701 CZ ARG A 69 3.385 -3.618 10.037 1.00 0.00 C ATOM 702 NH1 ARG A 69 2.109 -3.498 9.646 1.00 0.00 N ATOM 703 NH2 ARG A 69 3.914 -4.834 10.231 1.00 0.00 N ATOM 0 H ARG A 69 2.065 3.029 11.537 1.00 0.00 H new ATOM 0 HA ARG A 69 4.099 2.341 9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.919 1.563 11.761 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.434 0.660 11.982 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.235 0.230 9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.477 -0.641 11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.745 -0.978 10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.360 -0.981 9.006 1.00 0.00 H new ATOM 0 HE ARG A 69 5.099 -2.651 10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.706 -2.573 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.541 -4.332 9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.885 -4.926 10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.345 -5.667 10.081 1.00 0.00 H new ATOM 717 N LEU A 70 2.303 1.169 8.315 1.00 0.00 N ATOM 718 CA LEU A 70 1.258 0.502 7.555 1.00 0.00 C ATOM 719 C LEU A 70 1.898 -0.358 6.463 1.00 0.00 C ATOM 720 O LEU A 70 3.104 -0.282 6.235 1.00 0.00 O ATOM 721 CB LEU A 70 0.249 1.522 7.023 1.00 0.00 C ATOM 722 CG LEU A 70 0.433 1.949 5.566 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.610 1.285 4.664 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.416 3.474 5.435 1.00 0.00 C ATOM 0 H LEU A 70 3.072 1.535 7.753 1.00 0.00 H new ATOM 0 HA LEU A 70 0.689 -0.170 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.752 1.106 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.297 2.412 7.651 1.00 0.00 H new ATOM 0 HG LEU A 70 1.413 1.608 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.457 1.606 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.508 0.202 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.609 1.574 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.549 3.751 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.538 3.859 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.225 3.899 6.028 1.00 0.00 H new ATOM 736 N HIS A 71 1.060 -1.156 5.817 1.00 0.00 N ATOM 737 CA HIS A 71 1.528 -2.030 4.755 1.00 0.00 C ATOM 738 C HIS A 71 1.189 -1.413 3.396 1.00 0.00 C ATOM 739 O HIS A 71 0.027 -1.121 3.116 1.00 0.00 O ATOM 740 CB HIS A 71 0.963 -3.441 4.923 1.00 0.00 C ATOM 741 CG HIS A 71 0.865 -4.221 3.634 1.00 0.00 C ATOM 742 ND1 HIS A 71 -0.034 -3.903 2.631 1.00 0.00 N ATOM 743 CD2 HIS A 71 1.563 -5.308 3.195 1.00 0.00 C ATOM 744 CE1 HIS A 71 0.124 -4.766 1.638 1.00 0.00 C ATOM 745 NE2 HIS A 71 1.114 -5.636 1.990 1.00 0.00 N ATOM 0 H HIS A 71 0.060 -1.215 6.009 1.00 0.00 H new ATOM 0 HA HIS A 71 2.612 -2.127 4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.592 -3.992 5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.028 -3.373 5.371 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.704 -3.135 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.348 -5.815 3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.433 -4.778 0.713 1.00 0.00 H new ATOM 753 N ILE A 72 2.223 -1.233 2.589 1.00 0.00 N ATOM 754 CA ILE A 72 2.049 -0.656 1.267 1.00 0.00 C ATOM 755 C ILE A 72 2.672 -1.586 0.223 1.00 0.00 C ATOM 756 O ILE A 72 3.352 -2.549 0.573 1.00 0.00 O ATOM 757 CB ILE A 72 2.602 0.770 1.227 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.081 0.796 1.620 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.762 1.708 2.095 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.840 1.863 0.828 1.00 0.00 C ATOM 0 H ILE A 72 3.185 -1.477 2.825 1.00 0.00 H new ATOM 0 HA ILE A 72 0.989 -0.569 1.026 1.00 0.00 H new ATOM 0 HB ILE A 72 2.535 1.134 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.174 0.996 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.526 -0.182 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.177 2.715 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.736 1.721 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.774 1.357 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.888 1.861 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.765 1.647 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.407 2.843 1.031 1.00 0.00 H new ATOM 772 N SER A 73 2.416 -1.265 -1.037 1.00 0.00 N ATOM 773 CA SER A 73 2.943 -2.060 -2.133 1.00 0.00 C ATOM 774 C SER A 73 4.421 -1.732 -2.354 1.00 0.00 C ATOM 775 O SER A 73 4.845 -0.594 -2.156 1.00 0.00 O ATOM 776 CB SER A 73 2.149 -1.820 -3.418 1.00 0.00 C ATOM 777 OG SER A 73 1.566 -3.021 -3.917 1.00 0.00 O ATOM 0 H SER A 73 1.851 -0.466 -1.323 1.00 0.00 H new ATOM 0 HA SER A 73 2.847 -3.113 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.364 -1.088 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.806 -1.394 -4.176 1.00 0.00 H new ATOM 0 HG SER A 73 1.066 -2.826 -4.737 1.00 0.00 H new ATOM 783 N GLU A 74 5.166 -2.750 -2.761 1.00 0.00 N ATOM 784 CA GLU A 74 6.587 -2.584 -3.011 1.00 0.00 C ATOM 785 C GLU A 74 6.823 -1.434 -3.992 1.00 0.00 C ATOM 786 O GLU A 74 7.542 -0.485 -3.680 1.00 0.00 O ATOM 787 CB GLU A 74 7.208 -3.883 -3.529 1.00 0.00 C ATOM 788 CG GLU A 74 8.281 -4.399 -2.568 1.00 0.00 C ATOM 789 CD GLU A 74 8.891 -5.706 -3.079 1.00 0.00 C ATOM 790 OE1 GLU A 74 8.800 -6.705 -2.333 1.00 0.00 O ATOM 791 OE2 GLU A 74 9.435 -5.677 -4.205 1.00 0.00 O ATOM 0 H GLU A 74 4.812 -3.692 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 74 7.075 -2.337 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.431 -4.638 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.646 -3.714 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.063 -3.649 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.845 -4.558 -1.582 1.00 0.00 H new ATOM 798 N GLU A 75 6.205 -1.556 -5.157 1.00 0.00 N ATOM 799 CA GLU A 75 6.339 -0.538 -6.185 1.00 0.00 C ATOM 800 C GLU A 75 5.830 0.809 -5.668 1.00 0.00 C ATOM 801 O GLU A 75 6.448 1.845 -5.911 1.00 0.00 O ATOM 802 CB GLU A 75 5.603 -0.949 -7.462 1.00 0.00 C ATOM 803 CG GLU A 75 5.698 -2.459 -7.688 1.00 0.00 C ATOM 804 CD GLU A 75 5.997 -2.776 -9.155 1.00 0.00 C ATOM 805 OE1 GLU A 75 6.745 -3.751 -9.383 1.00 0.00 O ATOM 806 OE2 GLU A 75 5.472 -2.036 -10.014 1.00 0.00 O ATOM 0 H GLU A 75 5.610 -2.344 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 75 7.396 -0.434 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.556 -0.653 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.028 -0.422 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.481 -2.877 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.762 -2.934 -7.393 1.00 0.00 H new ATOM 813 N ASP A 76 4.708 0.752 -4.966 1.00 0.00 N ATOM 814 CA ASP A 76 4.109 1.954 -4.413 1.00 0.00 C ATOM 815 C ASP A 76 5.031 2.529 -3.335 1.00 0.00 C ATOM 816 O ASP A 76 5.021 3.733 -3.082 1.00 0.00 O ATOM 817 CB ASP A 76 2.757 1.648 -3.764 1.00 0.00 C ATOM 818 CG ASP A 76 1.642 2.643 -4.092 1.00 0.00 C ATOM 819 OD1 ASP A 76 1.950 3.627 -4.800 1.00 0.00 O ATOM 820 OD2 ASP A 76 0.508 2.398 -3.628 1.00 0.00 O ATOM 0 H ASP A 76 4.198 -0.109 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 76 3.966 2.664 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.439 0.653 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.889 1.617 -2.682 1.00 0.00 H new ATOM 825 N ALA A 77 5.806 1.641 -2.730 1.00 0.00 N ATOM 826 CA ALA A 77 6.732 2.045 -1.686 1.00 0.00 C ATOM 827 C ALA A 77 7.923 2.768 -2.318 1.00 0.00 C ATOM 828 O ALA A 77 8.535 3.631 -1.691 1.00 0.00 O ATOM 829 CB ALA A 77 7.157 0.818 -0.877 1.00 0.00 C ATOM 0 H ALA A 77 5.812 0.643 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 77 6.253 2.740 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.852 1.121 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.278 0.358 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.644 0.099 -1.536 1.00 0.00 H new ATOM 835 N GLN A 78 8.217 2.388 -3.553 1.00 0.00 N ATOM 836 CA GLN A 78 9.325 2.988 -4.277 1.00 0.00 C ATOM 837 C GLN A 78 8.941 4.385 -4.771 1.00 0.00 C ATOM 838 O GLN A 78 9.718 5.329 -4.640 1.00 0.00 O ATOM 839 CB GLN A 78 9.767 2.098 -5.440 1.00 0.00 C ATOM 840 CG GLN A 78 10.761 2.830 -6.344 1.00 0.00 C ATOM 841 CD GLN A 78 12.095 2.085 -6.407 1.00 0.00 C ATOM 842 OE1 GLN A 78 12.154 0.868 -6.472 1.00 0.00 O ATOM 843 NE2 GLN A 78 13.161 2.881 -6.385 1.00 0.00 N ATOM 0 H GLN A 78 7.707 1.672 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 78 10.170 3.084 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.225 1.188 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.896 1.794 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.345 2.924 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.922 3.841 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.041 3.892 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.098 2.480 -6.423 1.00 0.00 H new ATOM 852 N ARG A 79 7.742 4.472 -5.328 1.00 0.00 N ATOM 853 CA ARG A 79 7.245 5.737 -5.842 1.00 0.00 C ATOM 854 C ARG A 79 7.171 6.773 -4.719 1.00 0.00 C ATOM 855 O ARG A 79 7.372 7.964 -4.954 1.00 0.00 O ATOM 856 CB ARG A 79 5.858 5.571 -6.466 1.00 0.00 C ATOM 857 CG ARG A 79 5.900 5.838 -7.972 1.00 0.00 C ATOM 858 CD ARG A 79 4.522 5.628 -8.604 1.00 0.00 C ATOM 859 NE ARG A 79 4.253 6.692 -9.597 1.00 0.00 N ATOM 860 CZ ARG A 79 3.997 7.968 -9.280 1.00 0.00 C ATOM 861 NH1 ARG A 79 3.974 8.347 -7.995 1.00 0.00 N ATOM 862 NH2 ARG A 79 3.765 8.866 -10.248 1.00 0.00 N ATOM 0 H ARG A 79 7.100 3.687 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 79 7.938 6.078 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.491 4.561 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.157 6.257 -5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.236 6.859 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.625 5.174 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.479 4.651 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.753 5.637 -7.831 1.00 0.00 H new ATOM 0 HE ARG A 79 4.263 6.438 -10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.151 7.664 -7.259 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.779 9.319 -7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.783 8.578 -11.226 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.570 9.838 -10.006 1.00 0.00 H new ATOM 876 N LEU A 80 6.882 6.283 -3.523 1.00 0.00 N ATOM 877 CA LEU A 80 6.779 7.153 -2.363 1.00 0.00 C ATOM 878 C LEU A 80 8.059 7.981 -2.237 1.00 0.00 C ATOM 879 O LEU A 80 8.001 9.186 -1.993 1.00 0.00 O ATOM 880 CB LEU A 80 6.448 6.338 -1.111 1.00 0.00 C ATOM 881 CG LEU A 80 5.341 6.902 -0.217 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.252 6.129 1.100 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.532 8.403 0.011 1.00 0.00 C ATOM 0 H LEU A 80 6.716 5.295 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 80 5.955 7.856 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.161 5.333 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.355 6.241 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 80 4.388 6.773 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.458 6.550 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.034 5.081 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.201 6.204 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.732 8.779 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.494 8.578 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.506 8.923 -0.947 1.00 0.00 H new ATOM 895 N VAL A 81 9.184 7.303 -2.408 1.00 0.00 N ATOM 896 CA VAL A 81 10.476 7.962 -2.316 1.00 0.00 C ATOM 897 C VAL A 81 10.680 8.848 -3.547 1.00 0.00 C ATOM 898 O VAL A 81 11.034 10.019 -3.420 1.00 0.00 O ATOM 899 CB VAL A 81 11.583 6.920 -2.140 1.00 0.00 C ATOM 900 CG1 VAL A 81 12.932 7.470 -2.607 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.659 6.442 -0.688 1.00 0.00 C ATOM 0 H VAL A 81 9.228 6.304 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 81 10.514 8.609 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 81 11.337 6.061 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.701 6.710 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.870 7.739 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.187 8.353 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.453 5.702 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.870 7.290 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.708 5.993 -0.402 1.00 0.00 H new ATOM 911 N VAL A 82 10.448 8.255 -4.709 1.00 0.00 N ATOM 912 CA VAL A 82 10.602 8.977 -5.960 1.00 0.00 C ATOM 913 C VAL A 82 9.817 10.288 -5.889 1.00 0.00 C ATOM 914 O VAL A 82 10.249 11.305 -6.429 1.00 0.00 O ATOM 915 CB VAL A 82 10.177 8.089 -7.132 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.015 8.910 -8.412 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.168 6.941 -7.338 1.00 0.00 C ATOM 0 H VAL A 82 10.155 7.283 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 82 11.648 9.234 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 82 9.207 7.655 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.713 8.255 -9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.254 9.675 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.963 9.386 -8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.843 6.325 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.157 7.348 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.211 6.331 -6.436 1.00 0.00 H new ATOM 927 N ALA A 83 8.677 10.222 -5.217 1.00 0.00 N ATOM 928 CA ALA A 83 7.828 11.391 -5.067 1.00 0.00 C ATOM 929 C ALA A 83 8.585 12.470 -4.289 1.00 0.00 C ATOM 930 O ALA A 83 8.279 13.655 -4.408 1.00 0.00 O ATOM 931 CB ALA A 83 6.520 10.988 -4.383 1.00 0.00 C ATOM 0 H ALA A 83 8.322 9.377 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 83 7.572 11.806 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.883 11.865 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.007 10.242 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.737 10.569 -3.401 1.00 0.00 H new ATOM 937 N GLY A 84 9.558 12.020 -3.510 1.00 0.00 N ATOM 938 CA GLY A 84 10.360 12.932 -2.714 1.00 0.00 C ATOM 939 C GLY A 84 10.411 12.483 -1.252 1.00 0.00 C ATOM 940 O GLY A 84 11.054 13.126 -0.423 1.00 0.00 O ATOM 0 H GLY A 84 9.809 11.036 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.371 12.981 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.943 13.937 -2.775 1.00 0.00 H new ATOM 944 N ALA A 85 9.724 11.383 -0.979 1.00 0.00 N ATOM 945 CA ALA A 85 9.682 10.841 0.368 1.00 0.00 C ATOM 946 C ALA A 85 11.054 10.265 0.724 1.00 0.00 C ATOM 947 O ALA A 85 11.810 9.863 -0.159 1.00 0.00 O ATOM 948 CB ALA A 85 8.568 9.797 0.465 1.00 0.00 C ATOM 0 H ALA A 85 9.192 10.852 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 85 9.456 11.626 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.537 9.391 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.611 10.264 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.761 8.992 -0.244 1.00 0.00 H new ATOM 954 N GLU A 86 11.334 10.242 2.019 1.00 0.00 N ATOM 955 CA GLU A 86 12.601 9.721 2.502 1.00 0.00 C ATOM 956 C GLU A 86 12.710 8.226 2.199 1.00 0.00 C ATOM 957 O GLU A 86 11.700 7.527 2.132 1.00 0.00 O ATOM 958 CB GLU A 86 12.770 9.991 3.998 1.00 0.00 C ATOM 959 CG GLU A 86 14.117 10.658 4.287 1.00 0.00 C ATOM 960 CD GLU A 86 14.232 11.998 3.556 1.00 0.00 C ATOM 961 OE1 GLU A 86 15.055 12.063 2.618 1.00 0.00 O ATOM 962 OE2 GLU A 86 13.495 12.926 3.953 1.00 0.00 O ATOM 0 H GLU A 86 10.704 10.576 2.749 1.00 0.00 H new ATOM 0 HA GLU A 86 13.407 10.237 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.961 10.631 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.698 9.054 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.227 10.814 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.928 9.999 3.976 1.00 0.00 H new ATOM 969 N ASP A 87 13.945 7.779 2.023 1.00 0.00 N ATOM 970 CA ASP A 87 14.200 6.379 1.729 1.00 0.00 C ATOM 971 C ASP A 87 15.134 5.800 2.793 1.00 0.00 C ATOM 972 O ASP A 87 16.288 6.213 2.902 1.00 0.00 O ATOM 973 CB ASP A 87 14.876 6.216 0.366 1.00 0.00 C ATOM 974 CG ASP A 87 14.373 5.039 -0.470 1.00 0.00 C ATOM 975 OD1 ASP A 87 14.677 5.032 -1.682 1.00 0.00 O ATOM 976 OD2 ASP A 87 13.694 4.172 0.122 1.00 0.00 O ATOM 0 H ASP A 87 14.780 8.362 2.078 1.00 0.00 H new ATOM 0 HA ASP A 87 13.243 5.857 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.734 7.134 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.949 6.099 0.521 1.00 0.00 H new ATOM 981 N GLN A 88 14.602 4.853 3.551 1.00 0.00 N ATOM 982 CA GLN A 88 15.374 4.213 4.602 1.00 0.00 C ATOM 983 C GLN A 88 15.405 2.698 4.391 1.00 0.00 C ATOM 984 O GLN A 88 16.167 1.991 5.050 1.00 0.00 O ATOM 985 CB GLN A 88 14.815 4.563 5.983 1.00 0.00 C ATOM 986 CG GLN A 88 14.488 6.054 6.081 1.00 0.00 C ATOM 987 CD GLN A 88 15.689 6.907 5.666 1.00 0.00 C ATOM 988 OE1 GLN A 88 16.825 6.643 6.026 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.376 7.941 4.891 1.00 0.00 N ATOM 0 H GLN A 88 13.645 4.513 3.458 1.00 0.00 H new ATOM 0 HA GLN A 88 16.397 4.587 4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.916 3.977 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.540 4.295 6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.635 6.286 5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.198 6.300 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.405 8.105 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.107 8.571 4.561 1.00 0.00 H new ATOM 998 N ARG A 89 14.568 2.243 3.470 1.00 0.00 N ATOM 999 CA ARG A 89 14.490 0.825 3.164 1.00 0.00 C ATOM 1000 C ARG A 89 15.737 0.378 2.399 1.00 0.00 C ATOM 1001 O ARG A 89 16.104 -0.796 2.435 1.00 0.00 O ATOM 1002 CB ARG A 89 13.247 0.509 2.329 1.00 0.00 C ATOM 1003 CG ARG A 89 12.338 -0.485 3.054 1.00 0.00 C ATOM 1004 CD ARG A 89 12.663 -1.923 2.647 1.00 0.00 C ATOM 1005 NE ARG A 89 13.942 -2.346 3.259 1.00 0.00 N ATOM 1006 CZ ARG A 89 14.387 -3.610 3.271 1.00 0.00 C ATOM 1007 NH1 ARG A 89 13.660 -4.582 2.706 1.00 0.00 N ATOM 1008 NH2 ARG A 89 15.560 -3.901 3.850 1.00 0.00 N ATOM 0 H ARG A 89 13.938 2.832 2.926 1.00 0.00 H new ATOM 0 HA ARG A 89 14.426 0.285 4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.698 1.428 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 89 13.547 0.097 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.457 -0.373 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.296 -0.265 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.861 -2.589 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.728 -1.996 1.561 1.00 0.00 H new ATOM 0 HE ARG A 89 14.521 -1.631 3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.767 -4.361 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.999 -5.544 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.113 -3.161 4.281 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.899 -4.863 3.860 1.00 0.00 H new ATOM 1022 N ARG A 90 16.355 1.337 1.725 1.00 0.00 N ATOM 1023 CA ARG A 90 17.553 1.057 0.953 1.00 0.00 C ATOM 1024 C ARG A 90 17.358 -0.205 0.110 1.00 0.00 C ATOM 1025 O ARG A 90 16.238 -0.691 -0.037 1.00 0.00 O ATOM 1026 CB ARG A 90 18.766 0.869 1.867 1.00 0.00 C ATOM 1027 CG ARG A 90 19.831 1.932 1.589 1.00 0.00 C ATOM 1028 CD ARG A 90 19.763 3.059 2.622 1.00 0.00 C ATOM 1029 NE ARG A 90 20.861 4.024 2.392 1.00 0.00 N ATOM 1030 CZ ARG A 90 20.867 5.281 2.857 1.00 0.00 C ATOM 1031 NH1 ARG A 90 19.834 5.732 3.580 1.00 0.00 N ATOM 1032 NH2 ARG A 90 21.907 6.086 2.598 1.00 0.00 N ATOM 0 H ARG A 90 16.048 2.309 1.698 1.00 0.00 H new ATOM 0 HA ARG A 90 17.734 1.911 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.453 0.927 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.190 -0.124 1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.820 1.475 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.689 2.341 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.801 3.567 2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.836 2.646 3.628 1.00 0.00 H new ATOM 0 HE ARG A 90 21.664 3.713 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.043 5.119 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.838 6.689 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 90 22.693 5.742 2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 90 21.912 7.043 2.952 1.00 0.00 H new ATOM 1046 N HIS A 91 18.467 -0.700 -0.421 1.00 0.00 N ATOM 1047 CA HIS A 91 18.432 -1.896 -1.245 1.00 0.00 C ATOM 1048 C HIS A 91 17.216 -1.845 -2.172 1.00 0.00 C ATOM 1049 O HIS A 91 16.627 -2.879 -2.487 1.00 0.00 O ATOM 1050 CB HIS A 91 18.463 -3.156 -0.377 1.00 0.00 C ATOM 1051 CG HIS A 91 19.523 -4.153 -0.779 1.00 0.00 C ATOM 1052 ND1 HIS A 91 20.807 -4.132 -0.263 1.00 0.00 N ATOM 1053 CD2 HIS A 91 19.476 -5.201 -1.651 1.00 0.00 C ATOM 1054 CE1 HIS A 91 21.493 -5.126 -0.807 1.00 0.00 C ATOM 1055 NE2 HIS A 91 20.667 -5.787 -1.668 1.00 0.00 N ATOM 0 H HIS A 91 19.395 -0.295 -0.296 1.00 0.00 H new ATOM 0 HA HIS A 91 19.323 -1.935 -1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 91 18.627 -2.866 0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 91 17.487 -3.640 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.615 -5.503 -2.230 1.00 0.00 H new ATOM 0 HE1 HIS A 91 22.525 -5.370 -0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 91 20.922 -6.598 -2.232 1.00 0.00 H new ATOM 1063 N LEU A 92 16.876 -0.633 -2.584 1.00 0.00 N ATOM 1064 CA LEU A 92 15.740 -0.434 -3.468 1.00 0.00 C ATOM 1065 C LEU A 92 16.068 -1.008 -4.848 1.00 0.00 C ATOM 1066 O LEU A 92 16.754 -0.368 -5.644 1.00 0.00 O ATOM 1067 CB LEU A 92 15.335 1.042 -3.496 1.00 0.00 C ATOM 1068 CG LEU A 92 13.911 1.355 -3.032 1.00 0.00 C ATOM 1069 CD1 LEU A 92 12.914 0.345 -3.602 1.00 0.00 C ATOM 1070 CD2 LEU A 92 13.838 1.435 -1.506 1.00 0.00 C ATOM 0 H LEU A 92 17.367 0.222 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 92 14.868 -0.973 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.031 1.601 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.454 1.412 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 92 13.632 2.335 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.910 0.591 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.942 0.381 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.179 -0.657 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.815 1.659 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.144 0.481 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.503 2.223 -1.151 1.00 0.00 H new ATOM 1082 N MET A 93 15.562 -2.208 -5.090 1.00 0.00 N ATOM 1083 CA MET A 93 15.792 -2.875 -6.360 1.00 0.00 C ATOM 1084 C MET A 93 14.625 -2.642 -7.321 1.00 0.00 C ATOM 1085 O MET A 93 13.497 -2.407 -6.889 1.00 0.00 O ATOM 1086 CB MET A 93 15.967 -4.377 -6.124 1.00 0.00 C ATOM 1087 CG MET A 93 17.427 -4.795 -6.312 1.00 0.00 C ATOM 1088 SD MET A 93 17.540 -6.082 -7.543 1.00 0.00 S ATOM 1089 CE MET A 93 17.910 -5.100 -8.986 1.00 0.00 C ATOM 0 H MET A 93 14.993 -2.736 -4.428 1.00 0.00 H new ATOM 0 HA MET A 93 16.695 -2.461 -6.808 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.639 -4.631 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.334 -4.934 -6.815 1.00 0.00 H new ATOM 0 HG2 MET A 93 18.024 -3.935 -6.617 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.837 -5.148 -5.366 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.388 -5.726 -9.739 1.00 0.00 H new ATOM 0 HE2 MET A 93 16.987 -4.686 -9.391 1.00 0.00 H new ATOM 0 HE3 MET A 93 18.582 -4.287 -8.710 1.00 0.00 H new ATOM 1099 N ALA A 94 14.935 -2.716 -8.607 1.00 0.00 N ATOM 1100 CA ALA A 94 13.926 -2.516 -9.633 1.00 0.00 C ATOM 1101 C ALA A 94 14.468 -3.005 -10.978 1.00 0.00 C ATOM 1102 O ALA A 94 13.962 -3.976 -11.539 1.00 0.00 O ATOM 1103 CB ALA A 94 13.520 -1.041 -9.670 1.00 0.00 C ATOM 0 H ALA A 94 15.871 -2.912 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 94 13.030 -3.095 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.763 -0.891 -10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.114 -0.751 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.393 -0.429 -9.896 1.00 0.00 H new ATOM 1109 N ASP A 95 15.490 -2.311 -11.456 1.00 0.00 N ATOM 1110 CA ASP A 95 16.106 -2.662 -12.724 1.00 0.00 C ATOM 1111 C ASP A 95 16.673 -4.080 -12.635 1.00 0.00 C ATOM 1112 O ASP A 95 17.498 -4.370 -11.770 1.00 0.00 O ATOM 1113 CB ASP A 95 17.259 -1.713 -13.058 1.00 0.00 C ATOM 1114 CG ASP A 95 17.424 -1.395 -14.545 1.00 0.00 C ATOM 1115 OD1 ASP A 95 18.421 -1.880 -15.122 1.00 0.00 O ATOM 1116 OD2 ASP A 95 16.550 -0.673 -15.072 1.00 0.00 O ATOM 0 H ASP A 95 15.907 -1.507 -10.988 1.00 0.00 H new ATOM 0 HA ASP A 95 15.344 -2.591 -13.500 1.00 0.00 H new ATOM 0 HB2 ASP A 95 17.109 -0.779 -12.516 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.187 -2.150 -12.690 1.00 0.00 H new ATOM 1121 N ASP A 96 16.207 -4.927 -13.541 1.00 0.00 N ATOM 1122 CA ASP A 96 16.657 -6.308 -13.576 1.00 0.00 C ATOM 1123 C ASP A 96 16.594 -6.824 -15.015 1.00 0.00 C ATOM 1124 O ASP A 96 15.512 -6.959 -15.583 1.00 0.00 O ATOM 1125 CB ASP A 96 15.761 -7.201 -12.714 1.00 0.00 C ATOM 1126 CG ASP A 96 16.507 -8.135 -11.759 1.00 0.00 C ATOM 1127 OD1 ASP A 96 17.543 -7.688 -11.221 1.00 0.00 O ATOM 1128 OD2 ASP A 96 16.024 -9.276 -11.589 1.00 0.00 O ATOM 0 H ASP A 96 15.522 -4.683 -14.257 1.00 0.00 H new ATOM 0 HA ASP A 96 17.676 -6.341 -13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.094 -6.566 -12.131 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.134 -7.803 -13.371 1.00 0.00 H new TER 1133 ASP A 96