USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 478 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 27 SER OG : rot 5:sc= 0.475 USER MOD Set 1.2: A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.098) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 21 MET CE :methyl -178:sc= -6.68! (180deg=-6.74!) USER MOD Single : A 22 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.13) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -126:sc= -5.8! (180deg=-7.88!) USER MOD Single : A 33 CYS SG : rot -175:sc= -3.92! USER MOD Single : A 36 HIS : no HD1:sc= -12.1! C(o=-12!,f=-10!) USER MOD Single : A 37 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.78) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.76 X(o=-1.8,f=-2.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 33:sc= -0.2 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -100:sc= 0.85 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -15:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.0316 X(o=0.032,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 0:sc= -3.82! USER MOD Single : A 83 SER OG : rot -95:sc= 0.031 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.265 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 2.617 -4.431 -4.743 1.00 0.00 N ATOM 31 CA GLN A 16 3.875 -4.974 -5.227 1.00 0.00 C ATOM 32 C GLN A 16 4.087 -4.595 -6.694 1.00 0.00 C ATOM 33 O GLN A 16 5.214 -4.344 -7.118 1.00 0.00 O ATOM 34 CB GLN A 16 3.926 -6.491 -5.040 1.00 0.00 C ATOM 35 CG GLN A 16 3.605 -6.876 -3.594 1.00 0.00 C ATOM 36 CD GLN A 16 4.656 -6.318 -2.632 1.00 0.00 C ATOM 37 OE1 GLN A 16 4.382 -5.474 -1.795 1.00 0.00 O ATOM 38 NE2 GLN A 16 5.870 -6.835 -2.798 1.00 0.00 N ATOM 0 HA GLN A 16 4.685 -4.542 -4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.214 -6.968 -5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.916 -6.861 -5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.620 -6.496 -3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.564 -7.961 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.030 -7.539 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.641 -6.528 -2.205 1.00 0.00 H new ATOM 47 N GLU A 17 2.985 -4.565 -7.430 1.00 0.00 N ATOM 48 CA GLU A 17 3.036 -4.221 -8.840 1.00 0.00 C ATOM 49 C GLU A 17 3.799 -2.910 -9.040 1.00 0.00 C ATOM 50 O GLU A 17 4.729 -2.845 -9.843 1.00 0.00 O ATOM 51 CB GLU A 17 1.628 -4.131 -9.434 1.00 0.00 C ATOM 52 CG GLU A 17 1.073 -5.524 -9.740 1.00 0.00 C ATOM 53 CD GLU A 17 1.024 -6.385 -8.477 1.00 0.00 C ATOM 54 OE1 GLU A 17 1.851 -7.295 -8.315 1.00 0.00 O ATOM 55 OE2 GLU A 17 0.086 -6.081 -7.645 1.00 0.00 O ATOM 0 H GLU A 17 2.052 -4.773 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 17 3.568 -5.013 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.967 -3.617 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.652 -3.536 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.072 -5.436 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.695 -6.010 -10.492 1.00 0.00 H new ATOM 63 N GLN A 18 3.378 -1.898 -8.295 1.00 0.00 N ATOM 64 CA GLN A 18 4.011 -0.593 -8.380 1.00 0.00 C ATOM 65 C GLN A 18 5.511 -0.711 -8.103 1.00 0.00 C ATOM 66 O GLN A 18 6.317 -0.019 -8.723 1.00 0.00 O ATOM 67 CB GLN A 18 3.352 0.399 -7.420 1.00 0.00 C ATOM 68 CG GLN A 18 3.965 1.794 -7.567 1.00 0.00 C ATOM 69 CD GLN A 18 3.296 2.789 -6.616 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.251 2.533 -6.042 1.00 0.00 O ATOM 71 NE2 GLN A 18 3.957 3.936 -6.482 1.00 0.00 N ATOM 0 H GLN A 18 2.607 -1.956 -7.630 1.00 0.00 H new ATOM 0 HA GLN A 18 3.878 -0.211 -9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.281 0.446 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.471 0.052 -6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.034 1.749 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.854 2.137 -8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.827 4.086 -6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.593 4.666 -5.869 1.00 0.00 H new ATOM 80 N TRP A 19 5.840 -1.592 -7.171 1.00 0.00 N ATOM 81 CA TRP A 19 7.229 -1.810 -6.804 1.00 0.00 C ATOM 82 C TRP A 19 7.967 -2.336 -8.036 1.00 0.00 C ATOM 83 O TRP A 19 9.143 -2.036 -8.236 1.00 0.00 O ATOM 84 CB TRP A 19 7.338 -2.744 -5.597 1.00 0.00 C ATOM 85 CG TRP A 19 8.724 -2.767 -4.950 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.408 -1.739 -4.428 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.573 -3.921 -4.776 1.00 0.00 C ATOM 88 NE1 TRP A 19 10.630 -2.144 -3.933 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.734 -3.513 -4.151 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.367 -5.264 -5.135 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.779 -4.388 -3.830 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.421 -6.126 -4.808 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.596 -5.731 -4.178 1.00 0.00 C ATOM 0 H TRP A 19 5.169 -2.164 -6.658 1.00 0.00 H new ATOM 0 HA TRP A 19 7.696 -0.876 -6.491 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.605 -2.442 -4.849 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.077 -3.755 -5.909 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.047 -0.721 -4.399 1.00 0.00 H new ATOM 0 HE1 TRP A 19 11.329 -1.549 -3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.467 -5.605 -5.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.678 -4.045 -3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.314 -7.170 -5.063 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.364 -6.458 -3.958 1.00 0.00 H new ATOM 104 N ALA A 20 7.246 -3.113 -8.831 1.00 0.00 N ATOM 105 CA ALA A 20 7.818 -3.685 -10.039 1.00 0.00 C ATOM 106 C ALA A 20 8.093 -2.566 -11.046 1.00 0.00 C ATOM 107 O ALA A 20 9.182 -2.490 -11.612 1.00 0.00 O ATOM 108 CB ALA A 20 6.873 -4.751 -10.596 1.00 0.00 C ATOM 0 H ALA A 20 6.271 -3.360 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 20 8.768 -4.173 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.302 -5.180 -11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.733 -5.537 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.910 -4.297 -10.830 1.00 0.00 H new ATOM 114 N MET A 21 7.087 -1.726 -11.239 1.00 0.00 N ATOM 115 CA MET A 21 7.207 -0.615 -12.168 1.00 0.00 C ATOM 116 C MET A 21 8.474 0.196 -11.891 1.00 0.00 C ATOM 117 O MET A 21 9.098 0.714 -12.816 1.00 0.00 O ATOM 118 CB MET A 21 5.981 0.292 -12.040 1.00 0.00 C ATOM 119 CG MET A 21 4.724 -0.409 -12.560 1.00 0.00 C ATOM 120 SD MET A 21 3.413 0.781 -12.788 1.00 0.00 S ATOM 121 CE MET A 21 4.066 1.701 -14.171 1.00 0.00 C ATOM 0 H MET A 21 6.185 -1.792 -10.768 1.00 0.00 H new ATOM 0 HA MET A 21 7.269 -1.016 -13.180 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.840 0.573 -10.996 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.146 1.213 -12.599 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.941 -0.909 -13.504 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.409 -1.179 -11.856 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.383 2.513 -14.423 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.039 2.114 -13.906 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.175 1.039 -15.030 1.00 0.00 H new ATOM 131 N GLN A 22 8.816 0.282 -10.614 1.00 0.00 N ATOM 132 CA GLN A 22 9.998 1.022 -10.204 1.00 0.00 C ATOM 133 C GLN A 22 11.130 0.815 -11.212 1.00 0.00 C ATOM 134 O GLN A 22 11.326 1.635 -12.108 1.00 0.00 O ATOM 135 CB GLN A 22 10.437 0.617 -8.796 1.00 0.00 C ATOM 136 CG GLN A 22 9.393 1.030 -7.756 1.00 0.00 C ATOM 137 CD GLN A 22 9.431 2.541 -7.512 1.00 0.00 C ATOM 138 OE1 GLN A 22 8.683 3.308 -8.094 1.00 0.00 O ATOM 139 NE2 GLN A 22 10.341 2.922 -6.620 1.00 0.00 N ATOM 0 H GLN A 22 8.296 -0.148 -9.850 1.00 0.00 H new ATOM 0 HA GLN A 22 9.749 2.083 -10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.590 -0.461 -8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.394 1.083 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.400 0.738 -8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.577 0.502 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.936 2.227 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.444 3.910 -6.387 1.00 0.00 H new ATOM 148 N THR A 23 11.845 -0.286 -11.032 1.00 0.00 N ATOM 149 CA THR A 23 12.953 -0.611 -11.915 1.00 0.00 C ATOM 150 C THR A 23 12.454 -0.799 -13.349 1.00 0.00 C ATOM 151 O THR A 23 12.941 -0.147 -14.271 1.00 0.00 O ATOM 152 CB THR A 23 13.661 -1.844 -11.351 1.00 0.00 C ATOM 153 OG1 THR A 23 14.103 -1.431 -10.061 1.00 0.00 O ATOM 154 CG2 THR A 23 14.954 -2.171 -12.101 1.00 0.00 C ATOM 0 H THR A 23 11.679 -0.964 -10.288 1.00 0.00 H new ATOM 0 HA THR A 23 13.676 0.204 -11.960 1.00 0.00 H new ATOM 0 HB THR A 23 12.989 -2.701 -11.396 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.572 -2.172 -9.623 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.417 -3.054 -11.661 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.727 -2.365 -13.149 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.640 -1.327 -12.028 1.00 0.00 H new ATOM 162 N LEU A 24 11.488 -1.695 -13.493 1.00 0.00 N ATOM 163 CA LEU A 24 10.918 -1.978 -14.799 1.00 0.00 C ATOM 164 C LEU A 24 10.907 -0.696 -15.634 1.00 0.00 C ATOM 165 O LEU A 24 11.677 -0.564 -16.585 1.00 0.00 O ATOM 166 CB LEU A 24 9.540 -2.628 -14.653 1.00 0.00 C ATOM 167 CG LEU A 24 8.814 -2.962 -15.958 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.942 -4.208 -15.797 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.010 -1.761 -16.460 1.00 0.00 C ATOM 0 H LEU A 24 11.086 -2.234 -12.726 1.00 0.00 H new ATOM 0 HA LEU A 24 11.532 -2.703 -15.334 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.653 -3.547 -14.078 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.906 -1.962 -14.068 1.00 0.00 H new ATOM 0 HG LEU A 24 9.563 -3.189 -16.717 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.437 -4.423 -16.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.567 -5.056 -15.518 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.199 -4.034 -15.019 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.504 -2.025 -17.389 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.270 -1.479 -15.711 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.683 -0.922 -16.639 1.00 0.00 H new ATOM 181 N MET A 25 10.026 0.216 -15.249 1.00 0.00 N ATOM 182 CA MET A 25 9.905 1.482 -15.951 1.00 0.00 C ATOM 183 C MET A 25 11.096 2.394 -15.646 1.00 0.00 C ATOM 184 O MET A 25 11.370 3.334 -16.391 1.00 0.00 O ATOM 185 CB MET A 25 8.609 2.177 -15.531 1.00 0.00 C ATOM 186 CG MET A 25 8.789 2.918 -14.204 1.00 0.00 C ATOM 187 SD MET A 25 8.811 4.681 -14.487 1.00 0.00 S ATOM 188 CE MET A 25 7.219 4.889 -15.268 1.00 0.00 C ATOM 0 H MET A 25 9.389 0.103 -14.460 1.00 0.00 H new ATOM 0 HA MET A 25 9.889 1.282 -17.022 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.302 2.880 -16.305 1.00 0.00 H new ATOM 0 HB3 MET A 25 7.812 1.440 -15.435 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.979 2.661 -13.522 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.718 2.606 -13.727 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.346 5.401 -16.222 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.766 3.912 -15.437 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.571 5.482 -14.622 1.00 0.00 H new ATOM 198 N GLY A 26 11.771 2.085 -14.549 1.00 0.00 N ATOM 199 CA GLY A 26 12.926 2.864 -14.136 1.00 0.00 C ATOM 200 C GLY A 26 14.116 2.614 -15.063 1.00 0.00 C ATOM 201 O GLY A 26 15.135 3.297 -14.970 1.00 0.00 O ATOM 0 H GLY A 26 11.540 1.305 -13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.674 3.924 -14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.197 2.605 -13.113 1.00 0.00 H new ATOM 205 N SER A 27 13.949 1.633 -15.938 1.00 0.00 N ATOM 206 CA SER A 27 14.997 1.283 -16.881 1.00 0.00 C ATOM 207 C SER A 27 15.273 2.462 -17.816 1.00 0.00 C ATOM 208 O SER A 27 16.238 2.441 -18.580 1.00 0.00 O ATOM 209 CB SER A 27 14.619 0.041 -17.690 1.00 0.00 C ATOM 210 OG SER A 27 15.420 -0.098 -18.860 1.00 0.00 O ATOM 0 H SER A 27 13.102 1.069 -16.013 1.00 0.00 H new ATOM 0 HA SER A 27 15.902 1.054 -16.318 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.731 -0.846 -17.066 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.568 0.100 -17.975 1.00 0.00 H new ATOM 0 HG SER A 27 16.113 0.594 -18.866 1.00 0.00 H new ATOM 216 N GLY A 28 14.409 3.463 -17.726 1.00 0.00 N ATOM 217 CA GLY A 28 14.548 4.648 -18.555 1.00 0.00 C ATOM 218 C GLY A 28 13.627 4.575 -19.775 1.00 0.00 C ATOM 219 O GLY A 28 13.736 5.391 -20.689 1.00 0.00 O ATOM 0 H GLY A 28 13.610 3.477 -17.092 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.311 5.536 -17.969 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.583 4.748 -18.882 1.00 0.00 H new ATOM 223 N VAL A 29 12.740 3.591 -19.749 1.00 0.00 N ATOM 224 CA VAL A 29 11.801 3.401 -20.841 1.00 0.00 C ATOM 225 C VAL A 29 10.730 4.493 -20.783 1.00 0.00 C ATOM 226 O VAL A 29 10.399 5.097 -21.802 1.00 0.00 O ATOM 227 CB VAL A 29 11.217 1.988 -20.789 1.00 0.00 C ATOM 228 CG1 VAL A 29 10.071 1.832 -21.791 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.302 0.937 -21.029 1.00 0.00 C ATOM 0 H VAL A 29 12.652 2.917 -18.989 1.00 0.00 H new ATOM 0 HA VAL A 29 12.308 3.494 -21.801 1.00 0.00 H new ATOM 0 HB VAL A 29 10.813 1.829 -19.789 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.673 0.819 -21.734 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.282 2.545 -21.555 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.441 2.021 -22.799 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.860 -0.058 -20.987 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.750 1.094 -22.010 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.071 1.026 -20.261 1.00 0.00 H new ATOM 239 N LEU A 30 10.219 4.713 -19.580 1.00 0.00 N ATOM 240 CA LEU A 30 9.192 5.721 -19.376 1.00 0.00 C ATOM 241 C LEU A 30 9.839 6.999 -18.840 1.00 0.00 C ATOM 242 O LEU A 30 11.047 7.040 -18.611 1.00 0.00 O ATOM 243 CB LEU A 30 8.076 5.175 -18.484 1.00 0.00 C ATOM 244 CG LEU A 30 7.139 4.153 -19.131 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.261 3.472 -18.080 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.307 4.798 -20.242 1.00 0.00 C ATOM 0 H LEU A 30 10.497 4.211 -18.737 1.00 0.00 H new ATOM 0 HA LEU A 30 8.715 5.977 -20.322 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.531 4.716 -17.606 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.477 6.014 -18.130 1.00 0.00 H new ATOM 0 HG LEU A 30 7.748 3.377 -19.594 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.605 2.751 -18.566 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.893 2.957 -17.356 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.659 4.222 -17.567 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.650 4.050 -20.685 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.707 5.607 -19.825 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.971 5.197 -21.009 1.00 0.00 H new ATOM 258 N ALA A 31 9.006 8.013 -18.654 1.00 0.00 N ATOM 259 CA ALA A 31 9.482 9.289 -18.148 1.00 0.00 C ATOM 260 C ALA A 31 8.707 9.651 -16.879 1.00 0.00 C ATOM 261 O ALA A 31 7.479 9.596 -16.861 1.00 0.00 O ATOM 262 CB ALA A 31 9.343 10.354 -19.239 1.00 0.00 C ATOM 0 H ALA A 31 8.005 7.976 -18.845 1.00 0.00 H new ATOM 0 HA ALA A 31 10.538 9.227 -17.884 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.700 11.312 -18.860 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.934 10.064 -20.108 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.296 10.445 -19.527 1.00 0.00 H new ATOM 268 N ARG A 32 9.458 10.012 -15.849 1.00 0.00 N ATOM 269 CA ARG A 32 8.858 10.382 -14.579 1.00 0.00 C ATOM 270 C ARG A 32 9.360 11.758 -14.135 1.00 0.00 C ATOM 271 O ARG A 32 10.448 12.180 -14.524 1.00 0.00 O ATOM 272 CB ARG A 32 9.184 9.354 -13.494 1.00 0.00 C ATOM 273 CG ARG A 32 10.636 9.487 -13.032 1.00 0.00 C ATOM 274 CD ARG A 32 10.946 8.499 -11.906 1.00 0.00 C ATOM 275 NE ARG A 32 12.403 8.251 -11.836 1.00 0.00 N ATOM 276 CZ ARG A 32 13.060 7.399 -12.634 1.00 0.00 C ATOM 277 NH1 ARG A 32 12.393 6.706 -13.568 1.00 0.00 N ATOM 278 NH2 ARG A 32 14.383 7.238 -12.499 1.00 0.00 N ATOM 0 H ARG A 32 10.477 10.056 -15.868 1.00 0.00 H new ATOM 0 HA ARG A 32 7.778 10.413 -14.721 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.514 9.491 -12.645 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.011 8.348 -13.877 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.307 9.308 -13.872 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.820 10.505 -12.688 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.590 8.896 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.417 7.562 -12.078 1.00 0.00 H new ATOM 0 HE ARG A 32 12.941 8.761 -11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.386 6.828 -13.671 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.893 6.057 -14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.891 7.764 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.882 6.589 -13.107 1.00 0.00 H new ATOM 292 N CYS A 33 8.543 12.419 -13.328 1.00 0.00 N ATOM 293 CA CYS A 33 8.891 13.738 -12.827 1.00 0.00 C ATOM 294 C CYS A 33 9.649 13.567 -11.509 1.00 0.00 C ATOM 295 O CYS A 33 9.283 12.734 -10.682 1.00 0.00 O ATOM 296 CB CYS A 33 7.656 14.625 -12.664 1.00 0.00 C ATOM 297 SG CYS A 33 8.162 16.370 -12.447 1.00 0.00 S ATOM 0 H CYS A 33 7.641 12.066 -13.009 1.00 0.00 H new ATOM 0 HA CYS A 33 9.530 14.247 -13.549 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.012 14.531 -13.539 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.074 14.297 -11.803 1.00 0.00 H new ATOM 0 HG CYS A 33 7.113 17.099 -12.206 1.00 0.00 H new ATOM 302 N ARG A 34 10.692 14.369 -11.355 1.00 0.00 N ATOM 303 CA ARG A 34 11.505 14.317 -10.152 1.00 0.00 C ATOM 304 C ARG A 34 10.641 14.575 -8.916 1.00 0.00 C ATOM 305 O ARG A 34 10.976 14.137 -7.817 1.00 0.00 O ATOM 306 CB ARG A 34 12.632 15.351 -10.203 1.00 0.00 C ATOM 307 CG ARG A 34 13.613 15.037 -11.334 1.00 0.00 C ATOM 308 CD ARG A 34 13.975 13.550 -11.349 1.00 0.00 C ATOM 309 NE ARG A 34 14.313 13.098 -9.981 1.00 0.00 N ATOM 310 CZ ARG A 34 15.501 13.298 -9.396 1.00 0.00 C ATOM 311 NH1 ARG A 34 16.473 13.943 -10.055 1.00 0.00 N ATOM 312 NH2 ARG A 34 15.719 12.852 -8.151 1.00 0.00 N ATOM 0 H ARG A 34 10.993 15.059 -12.044 1.00 0.00 H new ATOM 0 HA ARG A 34 11.944 13.321 -10.092 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.211 16.346 -10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.162 15.364 -9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.172 15.317 -12.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.517 15.634 -11.212 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.139 12.968 -11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.820 13.380 -12.016 1.00 0.00 H new ATOM 0 HE ARG A 34 13.596 12.603 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.308 14.282 -11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.378 14.095 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.980 12.360 -7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.624 13.004 -7.706 1.00 0.00 H new ATOM 326 N ILE A 35 9.545 15.286 -9.138 1.00 0.00 N ATOM 327 CA ILE A 35 8.630 15.608 -8.056 1.00 0.00 C ATOM 328 C ILE A 35 7.517 14.560 -8.006 1.00 0.00 C ATOM 329 O ILE A 35 6.811 14.445 -7.005 1.00 0.00 O ATOM 330 CB ILE A 35 8.118 17.043 -8.196 1.00 0.00 C ATOM 331 CG1 ILE A 35 7.525 17.545 -6.878 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.124 17.160 -9.353 1.00 0.00 C ATOM 333 CD1 ILE A 35 6.047 17.166 -6.762 1.00 0.00 C ATOM 0 H ILE A 35 9.270 15.648 -10.051 1.00 0.00 H new ATOM 0 HA ILE A 35 9.146 15.571 -7.097 1.00 0.00 H new ATOM 0 HB ILE A 35 8.965 17.686 -8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.080 17.121 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.632 18.628 -6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.776 18.190 -9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.613 16.871 -10.283 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.274 16.502 -9.171 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.650 17.535 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.491 17.612 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.945 16.081 -6.800 1.00 0.00 H new ATOM 345 N HIS A 36 7.394 13.822 -9.100 1.00 0.00 N ATOM 346 CA HIS A 36 6.378 12.787 -9.193 1.00 0.00 C ATOM 347 C HIS A 36 7.048 11.428 -9.408 1.00 0.00 C ATOM 348 O HIS A 36 7.509 11.126 -10.508 1.00 0.00 O ATOM 349 CB HIS A 36 5.358 13.124 -10.283 1.00 0.00 C ATOM 350 CG HIS A 36 5.016 14.592 -10.372 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.611 15.335 -9.277 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.025 15.446 -11.435 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.388 16.579 -9.675 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.644 16.645 -11.013 1.00 0.00 N ATOM 0 H HIS A 36 7.981 13.920 -9.929 1.00 0.00 H new ATOM 0 HA HIS A 36 5.820 12.734 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.748 12.793 -11.246 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.444 12.559 -10.098 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.296 15.190 -12.449 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.061 17.397 -9.050 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.557 17.479 -11.594 1.00 0.00 H new ATOM 362 N ASN A 37 7.081 10.645 -8.340 1.00 0.00 N ATOM 363 CA ASN A 37 7.687 9.326 -8.398 1.00 0.00 C ATOM 364 C ASN A 37 6.593 8.275 -8.598 1.00 0.00 C ATOM 365 O ASN A 37 6.882 7.130 -8.940 1.00 0.00 O ATOM 366 CB ASN A 37 8.423 9.000 -7.096 1.00 0.00 C ATOM 367 CG ASN A 37 7.449 8.929 -5.919 1.00 0.00 C ATOM 368 OD1 ASN A 37 7.353 9.832 -5.103 1.00 0.00 O ATOM 369 ND2 ASN A 37 6.733 7.809 -5.875 1.00 0.00 N ATOM 0 H ASN A 37 6.698 10.899 -7.429 1.00 0.00 H new ATOM 0 HA ASN A 37 8.396 9.317 -9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.946 8.049 -7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.179 9.760 -6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.055 7.666 -5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.862 7.093 -6.590 1.00 0.00 H new ATOM 376 N ASP A 38 5.359 8.703 -8.375 1.00 0.00 N ATOM 377 CA ASP A 38 4.220 7.813 -8.527 1.00 0.00 C ATOM 378 C ASP A 38 3.572 8.049 -9.893 1.00 0.00 C ATOM 379 O ASP A 38 2.775 7.233 -10.354 1.00 0.00 O ATOM 380 CB ASP A 38 3.165 8.080 -7.451 1.00 0.00 C ATOM 381 CG ASP A 38 1.810 7.414 -7.695 1.00 0.00 C ATOM 382 OD1 ASP A 38 0.925 7.986 -8.348 1.00 0.00 O ATOM 383 OD2 ASP A 38 1.678 6.241 -7.174 1.00 0.00 O ATOM 0 H ASP A 38 5.123 9.654 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 38 4.579 6.788 -8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.553 7.739 -6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.015 9.157 -7.370 1.00 0.00 H new ATOM 389 N VAL A 39 3.939 9.167 -10.501 1.00 0.00 N ATOM 390 CA VAL A 39 3.404 9.520 -11.805 1.00 0.00 C ATOM 391 C VAL A 39 4.210 8.807 -12.892 1.00 0.00 C ATOM 392 O VAL A 39 5.430 8.693 -12.791 1.00 0.00 O ATOM 393 CB VAL A 39 3.391 11.041 -11.971 1.00 0.00 C ATOM 394 CG1 VAL A 39 3.077 11.432 -13.416 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.403 11.690 -11.000 1.00 0.00 C ATOM 0 H VAL A 39 4.601 9.841 -10.115 1.00 0.00 H new ATOM 0 HA VAL A 39 2.370 9.188 -11.896 1.00 0.00 H new ATOM 0 HB VAL A 39 4.388 11.413 -11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.074 12.518 -13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.835 11.015 -14.079 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.098 11.042 -13.694 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.413 12.771 -11.139 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.400 11.309 -11.193 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.691 11.453 -9.976 1.00 0.00 H new ATOM 405 N ILE A 40 3.494 8.344 -13.907 1.00 0.00 N ATOM 406 CA ILE A 40 4.128 7.645 -15.012 1.00 0.00 C ATOM 407 C ILE A 40 3.730 8.315 -16.329 1.00 0.00 C ATOM 408 O ILE A 40 2.544 8.435 -16.635 1.00 0.00 O ATOM 409 CB ILE A 40 3.801 6.152 -14.959 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.803 5.539 -16.361 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.481 5.905 -14.227 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.732 4.013 -16.293 1.00 0.00 C ATOM 0 H ILE A 40 2.482 8.439 -13.987 1.00 0.00 H new ATOM 0 HA ILE A 40 5.213 7.713 -14.934 1.00 0.00 H new ATOM 0 HB ILE A 40 4.584 5.652 -14.389 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.955 5.921 -16.930 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.705 5.841 -16.892 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.272 4.835 -14.204 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.554 6.283 -13.207 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.674 6.421 -14.748 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.735 3.603 -17.303 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.594 3.633 -15.745 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.817 3.714 -15.783 1.00 0.00 H new ATOM 424 N LEU A 41 4.743 8.734 -17.073 1.00 0.00 N ATOM 425 CA LEU A 41 4.514 9.389 -18.349 1.00 0.00 C ATOM 426 C LEU A 41 5.142 8.553 -19.466 1.00 0.00 C ATOM 427 O LEU A 41 6.069 7.782 -19.223 1.00 0.00 O ATOM 428 CB LEU A 41 5.013 10.834 -18.308 1.00 0.00 C ATOM 429 CG LEU A 41 4.239 11.785 -17.393 1.00 0.00 C ATOM 430 CD1 LEU A 41 4.855 11.823 -15.993 1.00 0.00 C ATOM 431 CD2 LEU A 41 4.137 13.181 -18.013 1.00 0.00 C ATOM 0 H LEU A 41 5.725 8.632 -16.816 1.00 0.00 H new ATOM 0 HA LEU A 41 3.446 9.452 -18.558 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.057 10.828 -17.994 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.987 11.235 -19.321 1.00 0.00 H new ATOM 0 HG LEU A 41 3.223 11.405 -17.287 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.285 12.507 -15.363 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.831 10.824 -15.558 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.888 12.166 -16.059 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.582 13.837 -17.342 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.138 13.584 -18.169 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.618 13.117 -18.970 1.00 0.00 H new ATOM 443 N ASP A 42 4.612 8.735 -20.667 1.00 0.00 N ATOM 444 CA ASP A 42 5.110 8.007 -21.822 1.00 0.00 C ATOM 445 C ASP A 42 6.273 8.781 -22.445 1.00 0.00 C ATOM 446 O ASP A 42 6.111 9.930 -22.854 1.00 0.00 O ATOM 447 CB ASP A 42 4.021 7.852 -22.886 1.00 0.00 C ATOM 448 CG ASP A 42 4.478 7.187 -24.186 1.00 0.00 C ATOM 449 OD1 ASP A 42 5.429 6.391 -24.197 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.805 7.521 -25.235 1.00 0.00 O ATOM 0 H ASP A 42 3.843 9.376 -20.865 1.00 0.00 H new ATOM 0 HA ASP A 42 5.430 7.021 -21.487 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.203 7.268 -22.465 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.621 8.838 -23.121 1.00 0.00 H new ATOM 456 N SER A 43 7.420 8.120 -22.499 1.00 0.00 N ATOM 457 CA SER A 43 8.610 8.732 -23.065 1.00 0.00 C ATOM 458 C SER A 43 8.750 8.340 -24.538 1.00 0.00 C ATOM 459 O SER A 43 9.361 9.065 -25.321 1.00 0.00 O ATOM 460 CB SER A 43 9.863 8.325 -22.287 1.00 0.00 C ATOM 461 OG SER A 43 10.943 9.229 -22.502 1.00 0.00 O ATOM 0 H SER A 43 7.550 7.167 -22.160 1.00 0.00 H new ATOM 0 HA SER A 43 8.505 9.814 -22.991 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.631 8.284 -21.223 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.165 7.321 -22.586 1.00 0.00 H new ATOM 0 HG SER A 43 11.723 8.935 -21.987 1.00 0.00 H new ATOM 467 N GLY A 44 8.173 7.195 -24.869 1.00 0.00 N ATOM 468 CA GLY A 44 8.226 6.698 -26.234 1.00 0.00 C ATOM 469 C GLY A 44 9.475 5.844 -26.459 1.00 0.00 C ATOM 470 O GLY A 44 9.639 5.245 -27.520 1.00 0.00 O ATOM 0 H GLY A 44 7.666 6.597 -24.216 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.335 6.107 -26.444 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.224 7.537 -26.930 1.00 0.00 H new ATOM 474 N ASN A 45 10.325 5.817 -25.442 1.00 0.00 N ATOM 475 CA ASN A 45 11.555 5.046 -25.516 1.00 0.00 C ATOM 476 C ASN A 45 11.223 3.598 -25.879 1.00 0.00 C ATOM 477 O ASN A 45 10.055 3.214 -25.913 1.00 0.00 O ATOM 478 CB ASN A 45 12.283 5.042 -24.171 1.00 0.00 C ATOM 479 CG ASN A 45 13.742 4.611 -24.338 1.00 0.00 C ATOM 480 OD1 ASN A 45 14.221 3.689 -23.699 1.00 0.00 O ATOM 481 ND2 ASN A 45 14.418 5.328 -25.231 1.00 0.00 N ATOM 0 H ASN A 45 10.186 6.316 -24.563 1.00 0.00 H new ATOM 0 HA ASN A 45 12.195 5.503 -26.271 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.243 6.037 -23.729 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.777 4.366 -23.482 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.399 5.119 -25.416 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.955 6.087 -25.731 1.00 0.00 H new ATOM 488 N ASP A 46 12.272 2.832 -26.140 1.00 0.00 N ATOM 489 CA ASP A 46 12.107 1.433 -26.499 1.00 0.00 C ATOM 490 C ASP A 46 11.286 0.728 -25.418 1.00 0.00 C ATOM 491 O ASP A 46 11.762 0.533 -24.300 1.00 0.00 O ATOM 492 CB ASP A 46 13.461 0.727 -26.601 1.00 0.00 C ATOM 493 CG ASP A 46 14.113 0.776 -27.984 1.00 0.00 C ATOM 494 OD1 ASP A 46 15.148 1.431 -28.179 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.507 0.096 -28.897 1.00 0.00 O ATOM 0 H ASP A 46 13.240 3.153 -26.110 1.00 0.00 H new ATOM 0 HA ASP A 46 11.604 1.389 -27.465 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.143 1.175 -25.878 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.332 -0.316 -26.313 1.00 0.00 H new ATOM 501 N ALA A 47 10.067 0.364 -25.788 1.00 0.00 N ATOM 502 CA ALA A 47 9.176 -0.316 -24.864 1.00 0.00 C ATOM 503 C ALA A 47 9.670 -1.747 -24.645 1.00 0.00 C ATOM 504 O ALA A 47 9.421 -2.340 -23.597 1.00 0.00 O ATOM 505 CB ALA A 47 7.746 -0.270 -25.407 1.00 0.00 C ATOM 0 H ALA A 47 9.675 0.527 -26.716 1.00 0.00 H new ATOM 0 HA ALA A 47 9.174 0.184 -23.895 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.077 -0.780 -24.714 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.432 0.768 -25.517 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.709 -0.765 -26.377 1.00 0.00 H new ATOM 511 N SER A 48 10.362 -2.261 -25.652 1.00 0.00 N ATOM 512 CA SER A 48 10.893 -3.612 -25.582 1.00 0.00 C ATOM 513 C SER A 48 11.837 -3.742 -24.385 1.00 0.00 C ATOM 514 O SER A 48 11.889 -4.789 -23.742 1.00 0.00 O ATOM 515 CB SER A 48 11.621 -3.984 -26.875 1.00 0.00 C ATOM 516 OG SER A 48 12.154 -5.305 -26.826 1.00 0.00 O ATOM 0 H SER A 48 10.567 -1.766 -26.520 1.00 0.00 H new ATOM 0 HA SER A 48 10.059 -4.302 -25.455 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.932 -3.902 -27.716 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.428 -3.274 -27.054 1.00 0.00 H new ATOM 0 HG SER A 48 12.610 -5.505 -27.670 1.00 0.00 H new ATOM 522 N SER A 49 12.560 -2.663 -24.123 1.00 0.00 N ATOM 523 CA SER A 49 13.499 -2.643 -23.014 1.00 0.00 C ATOM 524 C SER A 49 12.744 -2.717 -21.686 1.00 0.00 C ATOM 525 O SER A 49 13.112 -3.487 -20.800 1.00 0.00 O ATOM 526 CB SER A 49 14.375 -1.389 -23.057 1.00 0.00 C ATOM 527 OG SER A 49 15.434 -1.445 -22.105 1.00 0.00 O ATOM 0 H SER A 49 12.515 -1.797 -24.659 1.00 0.00 H new ATOM 0 HA SER A 49 14.150 -3.512 -23.103 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.792 -1.272 -24.057 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.760 -0.510 -22.864 1.00 0.00 H new ATOM 0 HG SER A 49 15.971 -0.627 -22.165 1.00 0.00 H new ATOM 533 N ALA A 50 11.699 -1.907 -21.590 1.00 0.00 N ATOM 534 CA ALA A 50 10.888 -1.872 -20.385 1.00 0.00 C ATOM 535 C ALA A 50 10.350 -3.274 -20.096 1.00 0.00 C ATOM 536 O ALA A 50 10.387 -3.735 -18.956 1.00 0.00 O ATOM 537 CB ALA A 50 9.770 -0.841 -20.552 1.00 0.00 C ATOM 0 H ALA A 50 11.396 -1.270 -22.327 1.00 0.00 H new ATOM 0 HA ALA A 50 11.488 -1.567 -19.528 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.161 -0.815 -19.648 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.205 0.143 -20.725 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.145 -1.116 -21.402 1.00 0.00 H new ATOM 543 N TYR A 51 9.862 -3.914 -21.148 1.00 0.00 N ATOM 544 CA TYR A 51 9.317 -5.255 -21.022 1.00 0.00 C ATOM 545 C TYR A 51 10.434 -6.290 -20.873 1.00 0.00 C ATOM 546 O TYR A 51 10.224 -7.357 -20.298 1.00 0.00 O ATOM 547 CB TYR A 51 8.557 -5.526 -22.322 1.00 0.00 C ATOM 548 CG TYR A 51 7.616 -4.395 -22.740 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.843 -3.755 -21.793 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.539 -4.015 -24.065 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.956 -2.691 -22.186 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.652 -2.950 -24.458 1.00 0.00 C ATOM 553 CZ TYR A 51 5.905 -2.341 -23.499 1.00 0.00 C ATOM 554 OH TYR A 51 5.068 -1.335 -23.870 1.00 0.00 O ATOM 0 H TYR A 51 9.833 -3.529 -22.092 1.00 0.00 H new ATOM 0 HA TYR A 51 8.679 -5.328 -20.142 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.277 -5.700 -23.122 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.978 -6.443 -22.208 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.903 -4.052 -20.756 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.143 -4.516 -24.807 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.345 -2.183 -21.455 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.582 -2.642 -25.491 1.00 0.00 H new ATOM 0 HH TYR A 51 5.013 -0.673 -23.150 1.00 0.00 H new ATOM 564 N LYS A 52 11.597 -5.938 -21.401 1.00 0.00 N ATOM 565 CA LYS A 52 12.748 -6.822 -21.334 1.00 0.00 C ATOM 566 C LYS A 52 13.168 -6.996 -19.873 1.00 0.00 C ATOM 567 O LYS A 52 13.329 -8.119 -19.399 1.00 0.00 O ATOM 568 CB LYS A 52 13.870 -6.311 -22.239 1.00 0.00 C ATOM 569 CG LYS A 52 15.068 -7.264 -22.219 1.00 0.00 C ATOM 570 CD LYS A 52 16.048 -6.936 -23.347 1.00 0.00 C ATOM 571 CE LYS A 52 15.484 -7.362 -24.704 1.00 0.00 C ATOM 572 NZ LYS A 52 16.484 -7.142 -25.773 1.00 0.00 N ATOM 0 H LYS A 52 11.767 -5.052 -21.877 1.00 0.00 H new ATOM 0 HA LYS A 52 12.490 -7.811 -21.712 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.500 -6.207 -23.259 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.184 -5.320 -21.911 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.577 -7.194 -21.258 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.721 -8.292 -22.321 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.254 -5.866 -23.355 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.997 -7.442 -23.168 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.202 -8.414 -24.673 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.579 -6.795 -24.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.085 -7.436 -26.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.734 -6.133 -25.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.337 -7.702 -25.571 1.00 0.00 H new ATOM 586 N LEU A 53 13.332 -5.867 -19.199 1.00 0.00 N ATOM 587 CA LEU A 53 13.730 -5.880 -17.802 1.00 0.00 C ATOM 588 C LEU A 53 12.552 -6.348 -16.945 1.00 0.00 C ATOM 589 O LEU A 53 12.736 -7.100 -15.989 1.00 0.00 O ATOM 590 CB LEU A 53 14.285 -4.515 -17.390 1.00 0.00 C ATOM 591 CG LEU A 53 13.296 -3.566 -16.710 1.00 0.00 C ATOM 592 CD1 LEU A 53 14.008 -2.660 -15.704 1.00 0.00 C ATOM 593 CD2 LEU A 53 12.506 -2.763 -17.746 1.00 0.00 C ATOM 0 H LEU A 53 13.196 -4.937 -19.595 1.00 0.00 H new ATOM 0 HA LEU A 53 14.542 -6.590 -17.644 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.126 -4.676 -16.716 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.679 -4.022 -18.279 1.00 0.00 H new ATOM 0 HG LEU A 53 12.578 -4.165 -16.151 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.282 -1.996 -15.235 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.487 -3.271 -14.939 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.763 -2.066 -16.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.810 -2.096 -17.236 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.195 -2.174 -18.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.950 -3.446 -18.388 1.00 0.00 H new ATOM 605 N GLY A 54 11.368 -5.885 -17.319 1.00 0.00 N ATOM 606 CA GLY A 54 10.161 -6.247 -16.597 1.00 0.00 C ATOM 607 C GLY A 54 9.976 -7.766 -16.564 1.00 0.00 C ATOM 608 O GLY A 54 9.783 -8.348 -15.498 1.00 0.00 O ATOM 0 H GLY A 54 11.219 -5.262 -18.113 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.213 -5.861 -15.579 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.296 -5.782 -17.071 1.00 0.00 H new ATOM 612 N THR A 55 10.042 -8.363 -17.745 1.00 0.00 N ATOM 613 CA THR A 55 9.884 -9.802 -17.865 1.00 0.00 C ATOM 614 C THR A 55 11.074 -10.524 -17.230 1.00 0.00 C ATOM 615 O THR A 55 10.921 -11.610 -16.674 1.00 0.00 O ATOM 616 CB THR A 55 9.692 -10.135 -19.346 1.00 0.00 C ATOM 617 OG1 THR A 55 10.873 -9.639 -19.970 1.00 0.00 O ATOM 618 CG2 THR A 55 8.564 -9.324 -19.986 1.00 0.00 C ATOM 0 H THR A 55 10.203 -7.876 -18.627 1.00 0.00 H new ATOM 0 HA THR A 55 9.005 -10.150 -17.322 1.00 0.00 H new ATOM 0 HB THR A 55 9.481 -11.199 -19.454 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.684 -8.772 -20.386 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.470 -9.598 -21.037 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.627 -9.534 -19.470 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.791 -8.261 -19.908 1.00 0.00 H new ATOM 626 N TYR A 56 12.234 -9.891 -17.334 1.00 0.00 N ATOM 627 CA TYR A 56 13.449 -10.459 -16.777 1.00 0.00 C ATOM 628 C TYR A 56 13.323 -10.649 -15.264 1.00 0.00 C ATOM 629 O TYR A 56 13.653 -11.711 -14.738 1.00 0.00 O ATOM 630 CB TYR A 56 14.558 -9.443 -17.060 1.00 0.00 C ATOM 631 CG TYR A 56 15.264 -9.650 -18.402 1.00 0.00 C ATOM 632 CD1 TYR A 56 14.622 -10.322 -19.423 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.542 -9.166 -18.591 1.00 0.00 C ATOM 634 CE1 TYR A 56 15.287 -10.517 -20.685 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.206 -9.361 -19.854 1.00 0.00 C ATOM 636 CZ TYR A 56 16.546 -10.027 -20.838 1.00 0.00 C ATOM 637 OH TYR A 56 17.173 -10.211 -22.031 1.00 0.00 O ATOM 0 H TYR A 56 12.357 -8.990 -17.796 1.00 0.00 H new ATOM 0 HA TYR A 56 13.653 -11.435 -17.218 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.132 -8.440 -17.036 1.00 0.00 H new ATOM 0 HB3 TYR A 56 15.297 -9.495 -16.260 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.622 -10.701 -19.275 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.044 -8.641 -17.792 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.797 -11.041 -21.492 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.206 -8.986 -20.016 1.00 0.00 H new ATOM 0 HH TYR A 56 18.066 -9.808 -21.997 1.00 0.00 H new ATOM 647 N LEU A 57 12.843 -9.603 -14.607 1.00 0.00 N ATOM 648 CA LEU A 57 12.668 -9.642 -13.165 1.00 0.00 C ATOM 649 C LEU A 57 11.415 -10.453 -12.829 1.00 0.00 C ATOM 650 O LEU A 57 11.461 -11.355 -11.993 1.00 0.00 O ATOM 651 CB LEU A 57 12.656 -8.224 -12.589 1.00 0.00 C ATOM 652 CG LEU A 57 12.706 -8.120 -11.063 1.00 0.00 C ATOM 653 CD1 LEU A 57 13.549 -6.921 -10.623 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.296 -8.078 -10.470 1.00 0.00 C ATOM 0 H LEU A 57 12.570 -8.724 -15.046 1.00 0.00 H new ATOM 0 HA LEU A 57 13.511 -10.147 -12.692 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.507 -7.679 -12.999 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.756 -7.719 -12.939 1.00 0.00 H new ATOM 0 HG LEU A 57 13.192 -9.015 -10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.568 -6.870 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.566 -7.034 -10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.114 -6.005 -11.022 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.360 -8.004 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.762 -7.212 -10.862 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.760 -8.988 -10.741 1.00 0.00 H new ATOM 666 N TYR A 58 10.326 -10.103 -13.496 1.00 0.00 N ATOM 667 CA TYR A 58 9.063 -10.788 -13.279 1.00 0.00 C ATOM 668 C TYR A 58 9.243 -12.306 -13.347 1.00 0.00 C ATOM 669 O TYR A 58 8.879 -13.021 -12.415 1.00 0.00 O ATOM 670 CB TYR A 58 8.141 -10.344 -14.416 1.00 0.00 C ATOM 671 CG TYR A 58 7.424 -9.017 -14.154 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.917 -8.743 -12.900 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.286 -8.095 -15.171 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.242 -7.495 -12.654 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.611 -6.847 -14.925 1.00 0.00 C ATOM 676 CZ TYR A 58 6.123 -6.608 -13.678 1.00 0.00 C ATOM 677 OH TYR A 58 5.486 -5.430 -13.445 1.00 0.00 O ATOM 0 H TYR A 58 10.292 -9.354 -14.187 1.00 0.00 H new ATOM 0 HA TYR A 58 8.660 -10.546 -12.296 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.727 -10.254 -15.331 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.395 -11.120 -14.590 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.026 -9.464 -12.104 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.684 -8.309 -16.152 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.839 -7.268 -11.678 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.495 -6.117 -15.713 1.00 0.00 H new ATOM 0 HH TYR A 58 4.986 -5.489 -12.604 1.00 0.00 H new ATOM 687 N GLN A 59 9.804 -12.753 -14.461 1.00 0.00 N ATOM 688 CA GLN A 59 10.037 -14.173 -14.664 1.00 0.00 C ATOM 689 C GLN A 59 10.945 -14.724 -13.564 1.00 0.00 C ATOM 690 O GLN A 59 10.661 -15.772 -12.986 1.00 0.00 O ATOM 691 CB GLN A 59 10.629 -14.439 -16.049 1.00 0.00 C ATOM 692 CG GLN A 59 12.132 -14.155 -16.066 1.00 0.00 C ATOM 693 CD GLN A 59 12.712 -14.351 -17.469 1.00 0.00 C ATOM 694 OE1 GLN A 59 13.658 -15.091 -17.681 1.00 0.00 O ATOM 695 NE2 GLN A 59 12.092 -13.647 -18.413 1.00 0.00 N ATOM 0 H GLN A 59 10.104 -12.157 -15.232 1.00 0.00 H new ATOM 0 HA GLN A 59 9.079 -14.690 -14.610 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.448 -15.476 -16.333 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.129 -13.814 -16.789 1.00 0.00 H new ATOM 0 HG2 GLN A 59 12.316 -13.134 -15.732 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.639 -14.817 -15.364 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.305 -13.046 -18.167 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.403 -13.709 -19.382 1.00 0.00 H new ATOM 856 N LEU A 70 3.309 -14.495 -17.663 1.00 0.00 N ATOM 857 CA LEU A 70 3.929 -13.385 -18.367 1.00 0.00 C ATOM 858 C LEU A 70 2.840 -12.440 -18.880 1.00 0.00 C ATOM 859 O LEU A 70 3.048 -11.230 -18.951 1.00 0.00 O ATOM 860 CB LEU A 70 4.861 -13.902 -19.465 1.00 0.00 C ATOM 861 CG LEU A 70 5.119 -12.945 -20.631 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.873 -11.699 -20.161 1.00 0.00 C ATOM 863 CD2 LEU A 70 5.845 -13.657 -21.774 1.00 0.00 C ATOM 0 HA LEU A 70 4.559 -12.808 -17.690 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.819 -14.157 -19.011 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.442 -14.826 -19.865 1.00 0.00 H new ATOM 0 HG LEU A 70 4.156 -12.612 -21.019 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.044 -11.036 -21.009 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.282 -11.179 -19.407 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.831 -11.994 -19.732 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.016 -12.955 -22.590 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.802 -14.038 -21.416 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.235 -14.487 -22.131 1.00 0.00 H new ATOM 875 N THR A 71 1.704 -13.028 -19.223 1.00 0.00 N ATOM 876 CA THR A 71 0.582 -12.254 -19.726 1.00 0.00 C ATOM 877 C THR A 71 0.261 -11.100 -18.774 1.00 0.00 C ATOM 878 O THR A 71 -0.133 -10.020 -19.212 1.00 0.00 O ATOM 879 CB THR A 71 -0.593 -13.209 -19.941 1.00 0.00 C ATOM 880 OG1 THR A 71 -0.018 -14.320 -20.623 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.622 -12.657 -20.930 1.00 0.00 C ATOM 0 H THR A 71 1.536 -14.032 -19.163 1.00 0.00 H new ATOM 0 HA THR A 71 0.820 -11.788 -20.682 1.00 0.00 H new ATOM 0 HB THR A 71 -1.078 -13.408 -18.985 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.711 -14.989 -20.801 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.435 -13.373 -21.047 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.020 -11.715 -20.553 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.145 -12.489 -21.896 1.00 0.00 H new ATOM 889 N GLU A 72 0.442 -11.367 -17.489 1.00 0.00 N ATOM 890 CA GLU A 72 0.176 -10.365 -16.472 1.00 0.00 C ATOM 891 C GLU A 72 1.290 -9.315 -16.457 1.00 0.00 C ATOM 892 O GLU A 72 1.052 -8.158 -16.114 1.00 0.00 O ATOM 893 CB GLU A 72 0.013 -11.011 -15.094 1.00 0.00 C ATOM 894 CG GLU A 72 -0.664 -10.050 -14.115 1.00 0.00 C ATOM 895 CD GLU A 72 -2.171 -9.979 -14.369 1.00 0.00 C ATOM 896 OE1 GLU A 72 -2.638 -10.392 -15.441 1.00 0.00 O ATOM 897 OE2 GLU A 72 -2.864 -9.475 -13.405 1.00 0.00 O ATOM 0 H GLU A 72 0.770 -12.263 -17.129 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.763 -9.868 -16.717 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.579 -11.922 -15.183 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.990 -11.302 -14.707 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.479 -10.378 -13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.228 -9.056 -14.215 1.00 0.00 H new ATOM 905 N ALA A 73 2.481 -9.757 -16.833 1.00 0.00 N ATOM 906 CA ALA A 73 3.631 -8.871 -16.867 1.00 0.00 C ATOM 907 C ALA A 73 3.455 -7.858 -18.000 1.00 0.00 C ATOM 908 O ALA A 73 3.578 -6.653 -17.784 1.00 0.00 O ATOM 909 CB ALA A 73 4.909 -9.699 -17.018 1.00 0.00 C ATOM 0 H ALA A 73 2.674 -10.718 -17.117 1.00 0.00 H new ATOM 0 HA ALA A 73 3.713 -8.312 -15.935 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.772 -9.034 -17.044 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.002 -10.382 -16.174 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.864 -10.271 -17.945 1.00 0.00 H new ATOM 915 N ARG A 74 3.170 -8.383 -19.182 1.00 0.00 N ATOM 916 CA ARG A 74 2.976 -7.539 -20.349 1.00 0.00 C ATOM 917 C ARG A 74 1.726 -6.675 -20.177 1.00 0.00 C ATOM 918 O ARG A 74 1.706 -5.517 -20.590 1.00 0.00 O ATOM 919 CB ARG A 74 2.836 -8.380 -21.620 1.00 0.00 C ATOM 920 CG ARG A 74 4.062 -9.273 -21.824 1.00 0.00 C ATOM 921 CD ARG A 74 4.246 -9.622 -23.302 1.00 0.00 C ATOM 922 NE ARG A 74 2.926 -9.769 -23.956 1.00 0.00 N ATOM 923 CZ ARG A 74 2.172 -10.875 -23.885 1.00 0.00 C ATOM 924 NH1 ARG A 74 2.603 -11.936 -23.189 1.00 0.00 N ATOM 925 NH2 ARG A 74 0.988 -10.919 -24.510 1.00 0.00 N ATOM 0 H ARG A 74 3.069 -9.383 -19.357 1.00 0.00 H new ATOM 0 HA ARG A 74 3.853 -6.899 -20.445 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.939 -8.996 -21.556 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.711 -7.725 -22.482 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.952 -8.765 -21.453 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.951 -10.188 -21.242 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.822 -8.842 -23.799 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.813 -10.548 -23.398 1.00 0.00 H new ATOM 0 HE ARG A 74 2.568 -8.980 -24.494 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.505 -11.902 -22.713 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.029 -12.778 -23.135 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.661 -10.111 -25.040 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.414 -11.760 -24.456 1.00 0.00 H new ATOM 939 N ASP A 75 0.712 -7.272 -19.567 1.00 0.00 N ATOM 940 CA ASP A 75 -0.539 -6.571 -19.335 1.00 0.00 C ATOM 941 C ASP A 75 -0.355 -5.571 -18.192 1.00 0.00 C ATOM 942 O ASP A 75 -1.005 -4.527 -18.165 1.00 0.00 O ATOM 943 CB ASP A 75 -1.650 -7.545 -18.937 1.00 0.00 C ATOM 944 CG ASP A 75 -2.256 -8.342 -20.094 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.373 -8.871 -19.989 1.00 0.00 O ATOM 946 OD2 ASP A 75 -1.522 -8.411 -21.152 1.00 0.00 O ATOM 0 H ASP A 75 0.732 -8.233 -19.227 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.817 -6.064 -20.259 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.253 -8.245 -18.202 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.445 -6.984 -18.446 1.00 0.00 H new ATOM 952 N ALA A 76 0.534 -5.926 -17.276 1.00 0.00 N ATOM 953 CA ALA A 76 0.812 -5.072 -16.133 1.00 0.00 C ATOM 954 C ALA A 76 1.477 -3.782 -16.616 1.00 0.00 C ATOM 955 O ALA A 76 1.101 -2.690 -16.193 1.00 0.00 O ATOM 956 CB ALA A 76 1.678 -5.833 -15.127 1.00 0.00 C ATOM 0 H ALA A 76 1.071 -6.793 -17.302 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.112 -4.796 -15.625 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.887 -5.193 -14.270 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.149 -6.726 -14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.616 -6.123 -15.600 1.00 0.00 H new ATOM 962 N ILE A 77 2.454 -3.950 -17.495 1.00 0.00 N ATOM 963 CA ILE A 77 3.175 -2.812 -18.040 1.00 0.00 C ATOM 964 C ILE A 77 2.307 -2.121 -19.094 1.00 0.00 C ATOM 965 O ILE A 77 2.330 -0.897 -19.216 1.00 0.00 O ATOM 966 CB ILE A 77 4.546 -3.246 -18.562 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.218 -4.220 -17.592 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.429 -2.032 -18.859 1.00 0.00 C ATOM 969 CD1 ILE A 77 6.053 -5.256 -18.346 1.00 0.00 C ATOM 0 H ILE A 77 2.763 -4.857 -17.843 1.00 0.00 H new ATOM 0 HA ILE A 77 3.374 -2.078 -17.259 1.00 0.00 H new ATOM 0 HB ILE A 77 4.401 -3.777 -19.503 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.855 -3.669 -16.900 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.459 -4.725 -16.994 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.398 -2.368 -19.229 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.949 -1.409 -19.614 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.570 -1.453 -17.947 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.520 -5.936 -17.633 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.409 -5.822 -19.019 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.826 -4.749 -18.924 1.00 0.00 H new ATOM 981 N LYS A 78 1.562 -2.935 -19.827 1.00 0.00 N ATOM 982 CA LYS A 78 0.688 -2.417 -20.866 1.00 0.00 C ATOM 983 C LYS A 78 -0.492 -1.689 -20.219 1.00 0.00 C ATOM 984 O LYS A 78 -1.049 -0.761 -20.802 1.00 0.00 O ATOM 985 CB LYS A 78 0.271 -3.536 -21.822 1.00 0.00 C ATOM 986 CG LYS A 78 1.450 -3.987 -22.687 1.00 0.00 C ATOM 987 CD LYS A 78 1.513 -3.187 -23.989 1.00 0.00 C ATOM 988 CE LYS A 78 0.358 -3.563 -24.920 1.00 0.00 C ATOM 989 NZ LYS A 78 0.735 -3.333 -26.332 1.00 0.00 N ATOM 0 H LYS A 78 1.545 -3.949 -19.722 1.00 0.00 H new ATOM 0 HA LYS A 78 1.216 -1.686 -21.478 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.111 -4.383 -21.252 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.541 -3.189 -22.461 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.381 -3.861 -22.134 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.354 -5.049 -22.913 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.474 -2.121 -23.767 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.463 -3.374 -24.489 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.092 -4.610 -24.774 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.524 -2.972 -24.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.060 -3.593 -26.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.967 -2.329 -26.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.563 -3.915 -26.569 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.838 -2.139 -19.021 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.941 -1.542 -18.288 1.00 0.00 C ATOM 1005 C ASP A 79 -1.504 -0.186 -17.731 1.00 0.00 C ATOM 1006 O ASP A 79 -2.201 0.813 -17.899 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.361 -2.424 -17.111 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.372 -3.521 -17.453 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.737 -4.342 -16.598 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -3.796 -3.511 -18.671 1.00 0.00 O ATOM 0 H ASP A 79 -0.374 -2.910 -18.540 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.781 -1.432 -18.974 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.470 -2.890 -16.690 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.786 -1.789 -16.334 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.350 -0.195 -17.078 1.00 0.00 N ATOM 1017 CA ALA A 80 0.188 1.022 -16.495 1.00 0.00 C ATOM 1018 C ALA A 80 0.489 2.026 -17.609 1.00 0.00 C ATOM 1019 O ALA A 80 0.095 3.188 -17.524 1.00 0.00 O ATOM 1020 CB ALA A 80 1.428 0.684 -15.664 1.00 0.00 C ATOM 0 H ALA A 80 0.226 -1.025 -16.940 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.539 1.481 -15.825 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.832 1.597 -15.226 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.155 -0.010 -14.869 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.181 0.224 -16.304 1.00 0.00 H new ATOM 1026 N TYR A 81 1.185 1.542 -18.627 1.00 0.00 N ATOM 1027 CA TYR A 81 1.544 2.383 -19.756 1.00 0.00 C ATOM 1028 C TYR A 81 0.297 2.980 -20.413 1.00 0.00 C ATOM 1029 O TYR A 81 0.197 4.195 -20.574 1.00 0.00 O ATOM 1030 CB TYR A 81 2.245 1.466 -20.760 1.00 0.00 C ATOM 1031 CG TYR A 81 3.721 1.215 -20.448 1.00 0.00 C ATOM 1032 CD1 TYR A 81 4.120 0.964 -19.151 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.655 1.241 -21.464 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.510 0.728 -18.858 1.00 0.00 C ATOM 1035 CE2 TYR A 81 6.045 1.006 -21.171 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.404 0.761 -19.882 1.00 0.00 C ATOM 1037 OH TYR A 81 7.717 0.539 -19.605 1.00 0.00 O ATOM 0 H TYR A 81 1.510 0.577 -18.694 1.00 0.00 H new ATOM 0 HA TYR A 81 2.177 3.209 -19.433 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.723 0.510 -20.789 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.164 1.904 -21.755 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.390 0.945 -18.356 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.343 1.438 -22.479 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.835 0.529 -17.847 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.786 1.024 -21.957 1.00 0.00 H new ATOM 0 HH TYR A 81 7.826 0.379 -18.644 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.623 2.097 -20.774 1.00 0.00 N ATOM 1048 CA GLU A 82 -1.859 2.521 -21.409 1.00 0.00 C ATOM 1049 C GLU A 82 -2.738 3.276 -20.410 1.00 0.00 C ATOM 1050 O GLU A 82 -3.569 4.093 -20.802 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.607 1.327 -22.005 1.00 0.00 C ATOM 1052 CG GLU A 82 -3.387 0.574 -20.925 1.00 0.00 C ATOM 1053 CD GLU A 82 -4.712 1.274 -20.618 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -5.032 1.509 -19.443 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.420 1.579 -21.653 1.00 0.00 O ATOM 0 H GLU A 82 -0.537 1.090 -20.639 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.611 3.197 -22.227 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.292 1.672 -22.779 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.898 0.652 -22.484 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.579 -0.447 -21.255 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.787 0.508 -20.017 1.00 0.00 H new ATOM 1063 N SER A 83 -2.524 2.974 -19.137 1.00 0.00 N ATOM 1064 CA SER A 83 -3.287 3.614 -18.078 1.00 0.00 C ATOM 1065 C SER A 83 -3.004 5.118 -18.065 1.00 0.00 C ATOM 1066 O SER A 83 -3.929 5.926 -18.004 1.00 0.00 O ATOM 1067 CB SER A 83 -2.959 3.000 -16.716 1.00 0.00 C ATOM 1068 OG SER A 83 -3.319 3.864 -15.641 1.00 0.00 O ATOM 0 H SER A 83 -1.834 2.295 -18.815 1.00 0.00 H new ATOM 0 HA SER A 83 -4.347 3.452 -18.273 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.484 2.051 -16.610 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.892 2.781 -16.664 1.00 0.00 H new ATOM 0 HG SER A 83 -2.538 4.390 -15.369 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.722 5.447 -18.124 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.307 6.839 -18.120 1.00 0.00 C ATOM 1076 C TYR A 84 -1.023 7.331 -19.541 1.00 0.00 C ATOM 1077 O TYR A 84 -0.833 8.526 -19.762 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.011 6.890 -17.308 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.215 6.724 -15.800 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.499 7.824 -15.017 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.115 5.474 -15.224 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.691 7.668 -13.598 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.307 5.318 -13.806 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.586 6.423 -13.063 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.767 6.275 -11.723 1.00 0.00 O ATOM 0 H TYR A 84 -0.957 4.774 -18.175 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.089 7.471 -17.700 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.659 6.106 -17.662 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.486 7.842 -17.495 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.577 8.802 -15.468 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.107 4.613 -15.837 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.913 8.521 -12.974 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.231 4.346 -13.342 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.664 5.331 -11.481 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.004 6.385 -20.468 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.746 6.707 -21.861 1.00 0.00 C ATOM 1097 C CYS A 85 -1.543 7.963 -22.219 1.00 0.00 C ATOM 1098 O CYS A 85 -2.673 8.137 -21.764 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.085 5.535 -22.784 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.143 6.104 -24.523 1.00 0.00 S ATOM 0 H CYS A 85 -1.163 5.395 -20.282 1.00 0.00 H new ATOM 0 HA CYS A 85 0.318 6.900 -22.001 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.339 4.748 -22.675 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.046 5.105 -22.501 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.429 5.101 -25.299 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.922 8.808 -23.029 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.559 10.043 -23.453 1.00 0.00 C ATOM 1108 C GLY A 86 -1.006 11.240 -22.677 1.00 0.00 C ATOM 1109 O GLY A 86 -1.476 12.364 -22.844 1.00 0.00 O ATOM 0 H GLY A 86 0.016 8.662 -23.403 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.398 10.191 -24.521 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.636 9.972 -23.300 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.015 10.957 -21.844 1.00 0.00 N ATOM 1114 CA ILE A 87 0.607 11.996 -21.041 1.00 0.00 C ATOM 1115 C ILE A 87 2.120 11.976 -21.272 1.00 0.00 C ATOM 1116 O ILE A 87 2.810 11.067 -20.813 1.00 0.00 O ATOM 1117 CB ILE A 87 0.208 11.848 -19.571 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.311 11.925 -19.405 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.933 12.877 -18.701 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -1.768 11.139 -18.175 1.00 0.00 C ATOM 0 H ILE A 87 0.372 10.023 -21.708 1.00 0.00 H new ATOM 0 HA ILE A 87 0.250 12.979 -21.347 1.00 0.00 H new ATOM 0 HB ILE A 87 0.519 10.861 -19.229 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.618 12.967 -19.310 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.798 11.529 -20.296 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.632 12.751 -17.661 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.010 12.732 -18.787 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.674 13.882 -19.034 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.852 11.210 -18.080 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.481 10.093 -18.284 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.298 11.553 -17.283 1.00 0.00 H new ATOM 1132 N ASP A 88 2.590 12.989 -21.985 1.00 0.00 N ATOM 1133 CA ASP A 88 4.008 13.100 -22.283 1.00 0.00 C ATOM 1134 C ASP A 88 4.639 14.144 -21.360 1.00 0.00 C ATOM 1135 O ASP A 88 5.849 14.360 -21.396 1.00 0.00 O ATOM 1136 CB ASP A 88 4.234 13.548 -23.728 1.00 0.00 C ATOM 1137 CG ASP A 88 5.679 13.911 -24.074 1.00 0.00 C ATOM 1138 OD1 ASP A 88 6.028 15.095 -24.197 1.00 0.00 O ATOM 1139 OD2 ASP A 88 6.474 12.906 -24.222 1.00 0.00 O ATOM 0 H ASP A 88 2.014 13.740 -22.365 1.00 0.00 H new ATOM 0 HA ASP A 88 4.461 12.120 -22.134 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.906 12.751 -24.395 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.600 14.412 -23.928 1.00 0.00 H new ATOM 1145 N ASP A 89 3.790 14.765 -20.554 1.00 0.00 N ATOM 1146 CA ASP A 89 4.249 15.782 -19.623 1.00 0.00 C ATOM 1147 C ASP A 89 3.226 15.934 -18.496 1.00 0.00 C ATOM 1148 O ASP A 89 2.033 16.086 -18.752 1.00 0.00 O ATOM 1149 CB ASP A 89 4.395 17.138 -20.316 1.00 0.00 C ATOM 1150 CG ASP A 89 4.753 18.302 -19.391 1.00 0.00 C ATOM 1151 OD1 ASP A 89 4.580 18.221 -18.165 1.00 0.00 O ATOM 1152 OD2 ASP A 89 5.237 19.341 -19.983 1.00 0.00 O ATOM 0 H ASP A 89 2.787 14.583 -20.526 1.00 0.00 H new ATOM 0 HA ASP A 89 5.218 15.470 -19.234 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.163 17.055 -21.085 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.459 17.372 -20.824 1.00 0.00 H new