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 43 SER OG : rot -131:sc= 0.166 USER MOD Set 1.2: A 45 ASN : amide:sc= -0.319 X(o=-0.15,f=-0.6) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.349 K(o=-7.5,f=-13!) USER MOD Set 2.2: A 21 MET CE :methyl -154:sc= -0.43 (180deg=-2.63!) USER MOD Set 2.3: A 25 MET CE :methyl -146:sc= -6.76! (180deg=-10.6!) USER MOD Single : A 16 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 22 GLN : amide:sc=-0.00896 X(o=-0.009,f=-0.038) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.715 USER MOD Single : A 33 CYS SG : rot 180:sc= -3.12! USER MOD Single : A 36 HIS : no HD1:sc= -14.6! C(o=-15!,f=-13!) USER MOD Single : A 37 ASN : amide:sc= -0.558 K(o=-0.56,f=-4.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.794 K(o=-0.79,f=-3.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 30:sc= -4.68! USER MOD Single : A 83 SER OG : rot -16:sc= -1.24 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -95:sc= 0.801 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 2.092 -4.275 -5.065 1.00 0.00 N ATOM 31 CA GLN A 16 3.508 -4.599 -5.105 1.00 0.00 C ATOM 32 C GLN A 16 3.990 -4.690 -6.555 1.00 0.00 C ATOM 33 O GLN A 16 5.137 -4.361 -6.853 1.00 0.00 O ATOM 34 CB GLN A 16 3.795 -5.897 -4.349 1.00 0.00 C ATOM 35 CG GLN A 16 3.590 -5.712 -2.844 1.00 0.00 C ATOM 36 CD GLN A 16 3.246 -7.042 -2.170 1.00 0.00 C ATOM 37 OE1 GLN A 16 2.181 -7.605 -2.357 1.00 0.00 O ATOM 38 NE2 GLN A 16 4.206 -7.510 -1.376 1.00 0.00 N ATOM 0 HA GLN A 16 4.058 -3.800 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.139 -6.687 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.819 -6.217 -4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.494 -5.298 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.790 -4.993 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.075 -6.988 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.073 -8.391 -0.880 1.00 0.00 H new ATOM 47 N GLU A 17 3.090 -5.140 -7.417 1.00 0.00 N ATOM 48 CA GLU A 17 3.409 -5.278 -8.828 1.00 0.00 C ATOM 49 C GLU A 17 3.904 -3.946 -9.393 1.00 0.00 C ATOM 50 O GLU A 17 4.848 -3.915 -10.182 1.00 0.00 O ATOM 51 CB GLU A 17 2.202 -5.793 -9.614 1.00 0.00 C ATOM 52 CG GLU A 17 1.867 -7.235 -9.225 1.00 0.00 C ATOM 53 CD GLU A 17 2.999 -8.186 -9.620 1.00 0.00 C ATOM 54 OE1 GLU A 17 2.907 -8.862 -10.656 1.00 0.00 O ATOM 55 OE2 GLU A 17 4.001 -8.207 -8.809 1.00 0.00 O ATOM 0 H GLU A 17 2.140 -5.414 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 17 4.208 -6.012 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.341 -5.152 -9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.410 -5.740 -10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.695 -7.295 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.942 -7.542 -9.713 1.00 0.00 H new ATOM 63 N GLN A 18 3.246 -2.878 -8.969 1.00 0.00 N ATOM 64 CA GLN A 18 3.608 -1.546 -9.423 1.00 0.00 C ATOM 65 C GLN A 18 5.075 -1.256 -9.102 1.00 0.00 C ATOM 66 O GLN A 18 5.801 -0.715 -9.935 1.00 0.00 O ATOM 67 CB GLN A 18 2.692 -0.488 -8.804 1.00 0.00 C ATOM 68 CG GLN A 18 3.053 0.911 -9.308 1.00 0.00 C ATOM 69 CD GLN A 18 2.430 1.178 -10.680 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.327 0.303 -11.524 1.00 0.00 O ATOM 71 NE2 GLN A 18 2.021 2.432 -10.854 1.00 0.00 N ATOM 0 H GLN A 18 2.464 -2.908 -8.315 1.00 0.00 H new ATOM 0 HA GLN A 18 3.478 -1.504 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.654 -0.711 -9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.775 -0.520 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.706 1.659 -8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.137 1.010 -9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.138 3.115 -10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.591 2.710 -11.736 1.00 0.00 H new ATOM 80 N TRP A 19 5.469 -1.629 -7.893 1.00 0.00 N ATOM 81 CA TRP A 19 6.837 -1.416 -7.452 1.00 0.00 C ATOM 82 C TRP A 19 7.770 -2.051 -8.485 1.00 0.00 C ATOM 83 O TRP A 19 8.876 -1.561 -8.711 1.00 0.00 O ATOM 84 CB TRP A 19 7.049 -1.963 -6.039 1.00 0.00 C ATOM 85 CG TRP A 19 8.511 -2.261 -5.700 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.553 -1.420 -5.733 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.053 -3.529 -5.273 1.00 0.00 C ATOM 88 NE1 TRP A 19 10.723 -2.050 -5.359 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.409 -3.373 -5.071 1.00 0.00 C ATOM 90 CE3 TRP A 19 8.419 -4.766 -5.065 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.246 -4.413 -4.650 1.00 0.00 C ATOM 92 CZ3 TRP A 19 9.269 -5.796 -4.644 1.00 0.00 C ATOM 93 CH2 TRP A 19 10.636 -5.655 -4.436 1.00 0.00 C ATOM 0 H TRP A 19 4.864 -2.078 -7.205 1.00 0.00 H new ATOM 0 HA TRP A 19 7.061 -0.351 -7.388 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.659 -1.243 -5.319 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.466 -2.877 -5.923 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.486 -0.380 -6.016 1.00 0.00 H new ATOM 0 HE1 TRP A 19 11.648 -1.623 -5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.360 -4.911 -5.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.305 -4.265 -4.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.832 -6.768 -4.469 1.00 0.00 H new ATOM 0 HH2 TRP A 19 11.225 -6.500 -4.111 1.00 0.00 H new ATOM 104 N ALA A 20 7.291 -3.131 -9.085 1.00 0.00 N ATOM 105 CA ALA A 20 8.069 -3.837 -10.088 1.00 0.00 C ATOM 106 C ALA A 20 8.427 -2.873 -11.221 1.00 0.00 C ATOM 107 O ALA A 20 9.517 -2.951 -11.787 1.00 0.00 O ATOM 108 CB ALA A 20 7.282 -5.052 -10.583 1.00 0.00 C ATOM 0 H ALA A 20 6.373 -3.534 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 20 9.002 -4.205 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.866 -5.582 -11.336 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.078 -5.719 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.340 -4.722 -11.021 1.00 0.00 H new ATOM 114 N MET A 21 7.489 -1.987 -11.519 1.00 0.00 N ATOM 115 CA MET A 21 7.691 -1.009 -12.575 1.00 0.00 C ATOM 116 C MET A 21 8.884 -0.103 -12.262 1.00 0.00 C ATOM 117 O MET A 21 9.355 0.630 -13.129 1.00 0.00 O ATOM 118 CB MET A 21 6.430 -0.157 -12.730 1.00 0.00 C ATOM 119 CG MET A 21 6.083 0.044 -14.207 1.00 0.00 C ATOM 120 SD MET A 21 4.335 -0.211 -14.463 1.00 0.00 S ATOM 121 CE MET A 21 3.731 1.438 -14.145 1.00 0.00 C ATOM 0 H MET A 21 6.586 -1.925 -11.048 1.00 0.00 H new ATOM 0 HA MET A 21 7.897 -1.542 -13.503 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.596 -0.638 -12.219 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.580 0.811 -12.253 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.362 1.050 -14.521 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.654 -0.652 -14.821 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.696 1.388 -13.808 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.342 1.907 -13.373 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.786 2.028 -15.060 1.00 0.00 H new ATOM 131 N GLN A 22 9.338 -0.185 -11.020 1.00 0.00 N ATOM 132 CA GLN A 22 10.467 0.618 -10.582 1.00 0.00 C ATOM 133 C GLN A 22 11.589 0.569 -11.621 1.00 0.00 C ATOM 134 O GLN A 22 11.823 1.544 -12.334 1.00 0.00 O ATOM 135 CB GLN A 22 10.969 0.157 -9.212 1.00 0.00 C ATOM 136 CG GLN A 22 12.142 1.019 -8.739 1.00 0.00 C ATOM 137 CD GLN A 22 12.261 0.993 -7.214 1.00 0.00 C ATOM 138 OE1 GLN A 22 11.369 1.402 -6.489 1.00 0.00 O ATOM 139 NE2 GLN A 22 13.409 0.491 -6.769 1.00 0.00 N ATOM 0 H GLN A 22 8.945 -0.795 -10.303 1.00 0.00 H new ATOM 0 HA GLN A 22 10.135 1.652 -10.483 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.157 0.211 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.279 -0.887 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.068 0.657 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.004 2.045 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.114 0.166 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.585 0.431 -5.766 1.00 0.00 H new ATOM 148 N THR A 23 12.253 -0.577 -11.676 1.00 0.00 N ATOM 149 CA THR A 23 13.344 -0.766 -12.616 1.00 0.00 C ATOM 150 C THR A 23 12.805 -0.871 -14.044 1.00 0.00 C ATOM 151 O THR A 23 13.248 -0.148 -14.934 1.00 0.00 O ATOM 152 CB THR A 23 14.141 -1.995 -12.175 1.00 0.00 C ATOM 153 OG1 THR A 23 14.545 -1.688 -10.844 1.00 0.00 O ATOM 154 CG2 THR A 23 15.458 -2.144 -12.939 1.00 0.00 C ATOM 0 H THR A 23 12.056 -1.384 -11.084 1.00 0.00 H new ATOM 0 HA THR A 23 14.017 0.091 -12.618 1.00 0.00 H new ATOM 0 HB THR A 23 13.535 -2.890 -12.318 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.067 -2.434 -10.480 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.984 -3.031 -12.587 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.251 -2.243 -14.005 1.00 0.00 H new ATOM 0 HG23 THR A 23 16.078 -1.264 -12.770 1.00 0.00 H new ATOM 162 N LEU A 24 11.855 -1.779 -14.218 1.00 0.00 N ATOM 163 CA LEU A 24 11.250 -1.989 -15.523 1.00 0.00 C ATOM 164 C LEU A 24 11.113 -0.643 -16.239 1.00 0.00 C ATOM 165 O LEU A 24 11.671 -0.451 -17.319 1.00 0.00 O ATOM 166 CB LEU A 24 9.930 -2.749 -15.386 1.00 0.00 C ATOM 167 CG LEU A 24 9.015 -2.731 -16.611 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.983 -3.859 -16.542 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.355 -1.361 -16.782 1.00 0.00 C ATOM 0 H LEU A 24 11.490 -2.377 -13.477 1.00 0.00 H new ATOM 0 HA LEU A 24 11.890 -2.617 -16.143 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.155 -3.787 -15.141 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.381 -2.334 -14.541 1.00 0.00 H new ATOM 0 HG LEU A 24 9.626 -2.907 -17.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.345 -3.823 -17.425 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.496 -4.820 -16.504 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.371 -3.738 -15.648 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.710 -1.375 -17.660 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.760 -1.131 -15.898 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.125 -0.600 -16.910 1.00 0.00 H new ATOM 181 N MET A 25 10.369 0.253 -15.609 1.00 0.00 N ATOM 182 CA MET A 25 10.151 1.575 -16.172 1.00 0.00 C ATOM 183 C MET A 25 11.417 2.429 -16.071 1.00 0.00 C ATOM 184 O MET A 25 11.664 3.282 -16.921 1.00 0.00 O ATOM 185 CB MET A 25 9.008 2.266 -15.427 1.00 0.00 C ATOM 186 CG MET A 25 9.544 3.311 -14.447 1.00 0.00 C ATOM 187 SD MET A 25 8.220 3.916 -13.414 1.00 0.00 S ATOM 188 CE MET A 25 7.052 4.413 -14.669 1.00 0.00 C ATOM 0 H MET A 25 9.909 0.090 -14.713 1.00 0.00 H new ATOM 0 HA MET A 25 9.894 1.463 -17.225 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.339 2.743 -16.143 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.420 1.524 -14.887 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.328 2.873 -13.829 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.995 4.138 -14.995 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.503 5.291 -14.328 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.586 4.653 -15.588 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.352 3.599 -14.858 1.00 0.00 H new ATOM 198 N GLY A 26 12.185 2.169 -15.023 1.00 0.00 N ATOM 199 CA GLY A 26 13.419 2.904 -14.799 1.00 0.00 C ATOM 200 C GLY A 26 14.448 2.591 -15.888 1.00 0.00 C ATOM 201 O GLY A 26 15.492 3.237 -15.963 1.00 0.00 O ATOM 0 H GLY A 26 11.977 1.460 -14.320 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.212 3.974 -14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.828 2.646 -13.822 1.00 0.00 H new ATOM 205 N SER A 27 14.117 1.601 -16.703 1.00 0.00 N ATOM 206 CA SER A 27 15.000 1.194 -17.784 1.00 0.00 C ATOM 207 C SER A 27 15.101 2.311 -18.824 1.00 0.00 C ATOM 208 O SER A 27 15.891 2.220 -19.763 1.00 0.00 O ATOM 209 CB SER A 27 14.509 -0.098 -18.439 1.00 0.00 C ATOM 210 OG SER A 27 15.585 -0.977 -18.757 1.00 0.00 O ATOM 0 H SER A 27 13.250 1.068 -16.637 1.00 0.00 H new ATOM 0 HA SER A 27 15.989 1.004 -17.366 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.814 -0.603 -17.768 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.957 0.143 -19.347 1.00 0.00 H new ATOM 0 HG SER A 27 15.231 -1.791 -19.172 1.00 0.00 H new ATOM 216 N GLY A 28 14.290 3.339 -18.623 1.00 0.00 N ATOM 217 CA GLY A 28 14.278 4.473 -19.532 1.00 0.00 C ATOM 218 C GLY A 28 13.130 4.358 -20.537 1.00 0.00 C ATOM 219 O GLY A 28 13.023 5.166 -21.458 1.00 0.00 O ATOM 0 H GLY A 28 13.636 3.411 -17.844 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.178 5.398 -18.964 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.228 4.527 -20.064 1.00 0.00 H new ATOM 223 N VAL A 29 12.300 3.347 -20.326 1.00 0.00 N ATOM 224 CA VAL A 29 11.164 3.116 -21.201 1.00 0.00 C ATOM 225 C VAL A 29 10.093 4.173 -20.929 1.00 0.00 C ATOM 226 O VAL A 29 9.545 4.762 -21.860 1.00 0.00 O ATOM 227 CB VAL A 29 10.650 1.685 -21.026 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.345 1.473 -21.796 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.710 0.666 -21.451 1.00 0.00 C ATOM 0 H VAL A 29 12.392 2.678 -19.561 1.00 0.00 H new ATOM 0 HA VAL A 29 11.461 3.215 -22.245 1.00 0.00 H new ATOM 0 HB VAL A 29 10.443 1.531 -19.967 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.002 0.448 -21.655 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.588 2.164 -21.426 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.515 1.656 -22.857 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.319 -0.343 -21.317 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.963 0.820 -22.500 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.603 0.794 -20.839 1.00 0.00 H new ATOM 239 N LEU A 30 9.826 4.383 -19.648 1.00 0.00 N ATOM 240 CA LEU A 30 8.829 5.359 -19.241 1.00 0.00 C ATOM 241 C LEU A 30 9.534 6.616 -18.726 1.00 0.00 C ATOM 242 O LEU A 30 10.762 6.669 -18.681 1.00 0.00 O ATOM 243 CB LEU A 30 7.856 4.743 -18.235 1.00 0.00 C ATOM 244 CG LEU A 30 6.908 3.675 -18.785 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.189 2.943 -17.650 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.926 4.279 -19.791 1.00 0.00 C ATOM 0 H LEU A 30 10.283 3.894 -18.878 1.00 0.00 H new ATOM 0 HA LEU A 30 8.220 5.661 -20.093 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.435 4.303 -17.423 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.257 5.544 -17.802 1.00 0.00 H new ATOM 0 HG LEU A 30 7.502 2.934 -19.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.522 2.190 -18.068 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.924 2.460 -17.006 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.609 3.658 -17.066 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.264 3.499 -20.166 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.334 5.053 -19.302 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.479 4.716 -20.622 1.00 0.00 H new ATOM 258 N ALA A 31 8.726 7.596 -18.350 1.00 0.00 N ATOM 259 CA ALA A 31 9.256 8.849 -17.839 1.00 0.00 C ATOM 260 C ALA A 31 8.561 9.192 -16.520 1.00 0.00 C ATOM 261 O ALA A 31 7.347 9.036 -16.395 1.00 0.00 O ATOM 262 CB ALA A 31 9.081 9.945 -18.893 1.00 0.00 C ATOM 0 H ALA A 31 7.708 7.548 -18.389 1.00 0.00 H new ATOM 0 HA ALA A 31 10.323 8.760 -17.635 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.478 10.885 -18.510 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.618 9.667 -19.800 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.022 10.065 -19.121 1.00 0.00 H new ATOM 268 N ARG A 32 9.360 9.653 -15.569 1.00 0.00 N ATOM 269 CA ARG A 32 8.837 10.020 -14.264 1.00 0.00 C ATOM 270 C ARG A 32 9.226 11.459 -13.922 1.00 0.00 C ATOM 271 O ARG A 32 10.331 11.899 -14.236 1.00 0.00 O ATOM 272 CB ARG A 32 9.366 9.083 -13.176 1.00 0.00 C ATOM 273 CG ARG A 32 10.868 8.843 -13.342 1.00 0.00 C ATOM 274 CD ARG A 32 11.523 8.519 -11.998 1.00 0.00 C ATOM 275 NE ARG A 32 11.970 9.766 -11.339 1.00 0.00 N ATOM 276 CZ ARG A 32 12.719 9.803 -10.228 1.00 0.00 C ATOM 277 NH1 ARG A 32 13.110 8.661 -9.646 1.00 0.00 N ATOM 278 NH2 ARG A 32 13.077 10.981 -9.700 1.00 0.00 N ATOM 0 H ARG A 32 10.366 9.781 -15.676 1.00 0.00 H new ATOM 0 HA ARG A 32 7.751 9.934 -14.305 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.169 9.513 -12.194 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.835 8.132 -13.220 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.034 8.021 -14.039 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.336 9.727 -13.775 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.816 7.993 -11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.373 7.853 -12.149 1.00 0.00 H new ATOM 0 HE ARG A 32 11.691 10.654 -11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.838 7.764 -10.048 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.680 8.689 -8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.780 11.850 -10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.647 11.009 -8.855 1.00 0.00 H new ATOM 292 N CYS A 33 8.296 12.153 -13.282 1.00 0.00 N ATOM 293 CA CYS A 33 8.528 13.534 -12.893 1.00 0.00 C ATOM 294 C CYS A 33 9.560 13.549 -11.764 1.00 0.00 C ATOM 295 O CYS A 33 9.510 12.715 -10.861 1.00 0.00 O ATOM 296 CB CYS A 33 7.229 14.233 -12.487 1.00 0.00 C ATOM 297 SG CYS A 33 7.459 16.048 -12.516 1.00 0.00 S ATOM 0 H CYS A 33 7.381 11.785 -13.023 1.00 0.00 H new ATOM 0 HA CYS A 33 8.915 14.094 -13.745 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.426 13.949 -13.167 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.930 13.912 -11.489 1.00 0.00 H new ATOM 0 HG CYS A 33 6.350 16.632 -12.172 1.00 0.00 H new ATOM 302 N ARG A 34 10.473 14.505 -11.853 1.00 0.00 N ATOM 303 CA ARG A 34 11.516 14.639 -10.850 1.00 0.00 C ATOM 304 C ARG A 34 10.899 14.773 -9.456 1.00 0.00 C ATOM 305 O ARG A 34 11.575 14.563 -8.451 1.00 0.00 O ATOM 306 CB ARG A 34 12.396 15.859 -11.130 1.00 0.00 C ATOM 307 CG ARG A 34 11.554 17.134 -11.213 1.00 0.00 C ATOM 308 CD ARG A 34 12.421 18.378 -11.005 1.00 0.00 C ATOM 309 NE ARG A 34 11.565 19.547 -10.705 1.00 0.00 N ATOM 310 CZ ARG A 34 10.808 20.177 -11.614 1.00 0.00 C ATOM 311 NH1 ARG A 34 10.796 19.753 -12.885 1.00 0.00 N ATOM 312 NH2 ARG A 34 10.063 21.230 -11.252 1.00 0.00 N ATOM 0 H ARG A 34 10.512 15.194 -12.604 1.00 0.00 H new ATOM 0 HA ARG A 34 12.134 13.742 -10.893 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.142 15.962 -10.342 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.937 15.715 -12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.063 17.187 -12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.767 17.104 -10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.122 18.210 -10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.015 18.571 -11.899 1.00 0.00 H new ATOM 0 HE ARG A 34 11.550 19.895 -9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.363 18.951 -13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.220 20.232 -13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.072 21.552 -10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.487 21.709 -11.944 1.00 0.00 H new ATOM 326 N ILE A 35 9.620 15.121 -9.442 1.00 0.00 N ATOM 327 CA ILE A 35 8.904 15.285 -8.188 1.00 0.00 C ATOM 328 C ILE A 35 8.005 14.069 -7.956 1.00 0.00 C ATOM 329 O ILE A 35 7.587 13.807 -6.829 1.00 0.00 O ATOM 330 CB ILE A 35 8.152 16.618 -8.171 1.00 0.00 C ATOM 331 CG1 ILE A 35 7.676 16.961 -6.758 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.000 16.610 -9.178 1.00 0.00 C ATOM 333 CD1 ILE A 35 6.259 16.438 -6.515 1.00 0.00 C ATOM 0 H ILE A 35 9.062 15.294 -10.278 1.00 0.00 H new ATOM 0 HA ILE A 35 9.603 15.329 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 35 8.842 17.404 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.358 16.528 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.698 18.041 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.482 17.569 -9.146 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.394 16.444 -10.181 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.302 15.812 -8.926 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.945 16.695 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.576 16.891 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.245 15.355 -6.635 1.00 0.00 H new ATOM 345 N HIS A 36 7.734 13.358 -9.041 1.00 0.00 N ATOM 346 CA HIS A 36 6.893 12.176 -8.970 1.00 0.00 C ATOM 347 C HIS A 36 7.694 10.948 -9.408 1.00 0.00 C ATOM 348 O HIS A 36 7.935 10.752 -10.598 1.00 0.00 O ATOM 349 CB HIS A 36 5.613 12.370 -9.785 1.00 0.00 C ATOM 350 CG HIS A 36 5.089 13.787 -9.778 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.801 14.474 -8.612 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.807 14.637 -10.806 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.364 15.682 -8.936 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.368 15.781 -10.296 1.00 0.00 N ATOM 0 H HIS A 36 8.082 13.578 -9.974 1.00 0.00 H new ATOM 0 HA HIS A 36 6.577 12.012 -7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.801 12.068 -10.815 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.842 11.706 -9.394 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.921 14.417 -11.857 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.058 16.453 -8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.081 16.599 -10.833 1.00 0.00 H new ATOM 362 N ASN A 37 8.085 10.154 -8.423 1.00 0.00 N ATOM 363 CA ASN A 37 8.854 8.951 -8.692 1.00 0.00 C ATOM 364 C ASN A 37 7.913 7.744 -8.718 1.00 0.00 C ATOM 365 O ASN A 37 8.240 6.711 -9.299 1.00 0.00 O ATOM 366 CB ASN A 37 9.900 8.711 -7.601 1.00 0.00 C ATOM 367 CG ASN A 37 10.898 9.869 -7.534 1.00 0.00 C ATOM 368 OD1 ASN A 37 10.673 10.947 -8.061 1.00 0.00 O ATOM 369 ND2 ASN A 37 12.009 9.588 -6.859 1.00 0.00 N ATOM 0 H ASN A 37 7.884 10.320 -7.437 1.00 0.00 H new ATOM 0 HA ASN A 37 9.355 9.079 -9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.405 8.596 -6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.431 7.780 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.737 10.295 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.133 8.665 -6.443 1.00 0.00 H new ATOM 376 N ASP A 38 6.764 7.917 -8.081 1.00 0.00 N ATOM 377 CA ASP A 38 5.774 6.855 -8.024 1.00 0.00 C ATOM 378 C ASP A 38 4.830 6.979 -9.221 1.00 0.00 C ATOM 379 O ASP A 38 4.073 6.056 -9.518 1.00 0.00 O ATOM 380 CB ASP A 38 4.935 6.952 -6.748 1.00 0.00 C ATOM 381 CG ASP A 38 3.523 6.373 -6.857 1.00 0.00 C ATOM 382 OD1 ASP A 38 2.532 7.039 -6.521 1.00 0.00 O ATOM 383 OD2 ASP A 38 3.461 5.169 -7.315 1.00 0.00 O ATOM 0 H ASP A 38 6.497 8.776 -7.600 1.00 0.00 H new ATOM 0 HA ASP A 38 6.302 5.901 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.462 6.437 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.860 8.000 -6.459 1.00 0.00 H new ATOM 389 N VAL A 39 4.905 8.128 -9.877 1.00 0.00 N ATOM 390 CA VAL A 39 4.067 8.384 -11.036 1.00 0.00 C ATOM 391 C VAL A 39 4.753 7.834 -12.288 1.00 0.00 C ATOM 392 O VAL A 39 5.974 7.693 -12.320 1.00 0.00 O ATOM 393 CB VAL A 39 3.753 9.878 -11.134 1.00 0.00 C ATOM 394 CG1 VAL A 39 3.299 10.252 -12.546 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.707 10.288 -10.095 1.00 0.00 C ATOM 0 H VAL A 39 5.533 8.892 -9.628 1.00 0.00 H new ATOM 0 HA VAL A 39 3.111 7.870 -10.937 1.00 0.00 H new ATOM 0 HB VAL A 39 4.670 10.427 -10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.082 11.319 -12.588 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.090 10.014 -13.257 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.401 9.689 -12.800 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.502 11.355 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.788 9.726 -10.263 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.085 10.075 -9.095 1.00 0.00 H new ATOM 405 N ILE A 40 3.937 7.538 -13.289 1.00 0.00 N ATOM 406 CA ILE A 40 4.449 7.007 -14.540 1.00 0.00 C ATOM 407 C ILE A 40 3.977 7.891 -15.696 1.00 0.00 C ATOM 408 O ILE A 40 2.826 8.324 -15.721 1.00 0.00 O ATOM 409 CB ILE A 40 4.063 5.534 -14.695 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.399 5.024 -16.098 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.591 5.313 -14.342 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.397 5.551 -17.127 1.00 0.00 C ATOM 0 H ILE A 40 2.924 7.656 -13.259 1.00 0.00 H new ATOM 0 HA ILE A 40 5.539 7.030 -14.545 1.00 0.00 H new ATOM 0 HB ILE A 40 4.654 4.950 -13.990 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.406 5.338 -16.372 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.393 3.934 -16.104 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.343 4.258 -14.461 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.416 5.613 -13.309 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.964 5.910 -15.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.658 5.174 -18.116 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.394 5.215 -16.864 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.423 6.641 -17.136 1.00 0.00 H new ATOM 424 N LEU A 41 4.891 8.132 -16.626 1.00 0.00 N ATOM 425 CA LEU A 41 4.582 8.957 -17.781 1.00 0.00 C ATOM 426 C LEU A 41 5.002 8.220 -19.055 1.00 0.00 C ATOM 427 O LEU A 41 6.081 7.630 -19.108 1.00 0.00 O ATOM 428 CB LEU A 41 5.215 10.342 -17.635 1.00 0.00 C ATOM 429 CG LEU A 41 5.174 10.954 -16.234 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.369 11.882 -16.005 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.841 11.664 -15.985 1.00 0.00 C ATOM 0 H LEU A 41 5.844 7.770 -16.602 1.00 0.00 H new ATOM 0 HA LEU A 41 3.508 9.129 -17.850 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.256 10.279 -17.952 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.713 11.023 -18.322 1.00 0.00 H new ATOM 0 HG LEU A 41 5.250 10.146 -15.506 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.315 12.304 -15.001 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.295 11.316 -16.112 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.350 12.688 -16.739 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.838 12.090 -14.982 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.710 12.460 -16.718 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.024 10.948 -16.078 1.00 0.00 H new ATOM 443 N ASP A 42 4.129 8.278 -20.049 1.00 0.00 N ATOM 444 CA ASP A 42 4.396 7.624 -21.319 1.00 0.00 C ATOM 445 C ASP A 42 5.385 8.468 -22.125 1.00 0.00 C ATOM 446 O ASP A 42 5.156 9.656 -22.346 1.00 0.00 O ATOM 447 CB ASP A 42 3.115 7.479 -22.144 1.00 0.00 C ATOM 448 CG ASP A 42 3.145 6.368 -23.195 1.00 0.00 C ATOM 449 OD1 ASP A 42 3.012 6.626 -24.401 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.317 5.179 -22.727 1.00 0.00 O ATOM 0 H ASP A 42 3.236 8.768 -20.001 1.00 0.00 H new ATOM 0 HA ASP A 42 4.804 6.635 -21.110 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.283 7.294 -21.465 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.914 8.426 -22.644 1.00 0.00 H new ATOM 456 N SER A 43 6.463 7.820 -22.542 1.00 0.00 N ATOM 457 CA SER A 43 7.488 8.497 -23.318 1.00 0.00 C ATOM 458 C SER A 43 7.345 8.138 -24.799 1.00 0.00 C ATOM 459 O SER A 43 7.573 8.976 -25.669 1.00 0.00 O ATOM 460 CB SER A 43 8.888 8.134 -22.817 1.00 0.00 C ATOM 461 OG SER A 43 9.835 9.163 -23.089 1.00 0.00 O ATOM 0 H SER A 43 6.649 6.834 -22.357 1.00 0.00 H new ATOM 0 HA SER A 43 7.355 9.572 -23.196 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.852 7.949 -21.743 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.213 7.207 -23.290 1.00 0.00 H new ATOM 0 HG SER A 43 10.631 8.773 -23.508 1.00 0.00 H new ATOM 467 N GLY A 44 6.969 6.890 -25.039 1.00 0.00 N ATOM 468 CA GLY A 44 6.792 6.410 -26.399 1.00 0.00 C ATOM 469 C GLY A 44 8.075 5.761 -26.922 1.00 0.00 C ATOM 470 O GLY A 44 8.351 5.800 -28.120 1.00 0.00 O ATOM 0 H GLY A 44 6.782 6.197 -24.314 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.976 5.688 -26.430 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.509 7.239 -27.047 1.00 0.00 H new ATOM 474 N ASN A 45 8.824 5.178 -25.998 1.00 0.00 N ATOM 475 CA ASN A 45 10.071 4.521 -26.351 1.00 0.00 C ATOM 476 C ASN A 45 9.840 3.011 -26.438 1.00 0.00 C ATOM 477 O ASN A 45 8.765 2.523 -26.094 1.00 0.00 O ATOM 478 CB ASN A 45 11.146 4.774 -25.292 1.00 0.00 C ATOM 479 CG ASN A 45 11.518 6.257 -25.232 1.00 0.00 C ATOM 480 OD1 ASN A 45 11.490 6.889 -24.188 1.00 0.00 O ATOM 481 ND2 ASN A 45 11.866 6.776 -26.406 1.00 0.00 N ATOM 0 H ASN A 45 8.591 5.147 -25.005 1.00 0.00 H new ATOM 0 HA ASN A 45 10.405 4.923 -27.307 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.785 4.446 -24.317 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.032 4.182 -25.520 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.131 7.759 -26.471 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.868 6.191 -27.242 1.00 0.00 H new ATOM 488 N ASP A 46 10.868 2.313 -26.899 1.00 0.00 N ATOM 489 CA ASP A 46 10.790 0.869 -27.036 1.00 0.00 C ATOM 490 C ASP A 46 10.427 0.252 -25.684 1.00 0.00 C ATOM 491 O ASP A 46 11.233 0.265 -24.754 1.00 0.00 O ATOM 492 CB ASP A 46 12.134 0.284 -27.476 1.00 0.00 C ATOM 493 CG ASP A 46 13.359 0.887 -26.786 1.00 0.00 C ATOM 494 OD1 ASP A 46 13.720 0.492 -25.667 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.960 1.812 -27.453 1.00 0.00 O ATOM 0 H ASP A 46 11.759 2.721 -27.182 1.00 0.00 H new ATOM 0 HA ASP A 46 10.034 0.642 -27.788 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.124 -0.790 -27.291 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.238 0.421 -28.552 1.00 0.00 H new ATOM 501 N ALA A 47 9.213 -0.275 -25.617 1.00 0.00 N ATOM 502 CA ALA A 47 8.733 -0.896 -24.394 1.00 0.00 C ATOM 503 C ALA A 47 9.426 -2.247 -24.207 1.00 0.00 C ATOM 504 O ALA A 47 9.333 -2.854 -23.141 1.00 0.00 O ATOM 505 CB ALA A 47 7.209 -1.025 -24.450 1.00 0.00 C ATOM 0 H ALA A 47 8.547 -0.285 -26.390 1.00 0.00 H new ATOM 0 HA ALA A 47 8.976 -0.278 -23.529 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.849 -1.491 -23.533 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.764 -0.036 -24.553 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.927 -1.641 -25.304 1.00 0.00 H new ATOM 511 N SER A 48 10.106 -2.678 -25.259 1.00 0.00 N ATOM 512 CA SER A 48 10.814 -3.946 -25.224 1.00 0.00 C ATOM 513 C SER A 48 11.750 -3.990 -24.015 1.00 0.00 C ATOM 514 O SER A 48 11.988 -5.055 -23.447 1.00 0.00 O ATOM 515 CB SER A 48 11.604 -4.171 -26.515 1.00 0.00 C ATOM 516 OG SER A 48 10.902 -3.696 -27.660 1.00 0.00 O ATOM 0 H SER A 48 10.182 -2.171 -26.141 1.00 0.00 H new ATOM 0 HA SER A 48 10.079 -4.746 -25.135 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.567 -3.664 -26.444 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.811 -5.235 -26.632 1.00 0.00 H new ATOM 0 HG SER A 48 11.440 -3.856 -28.463 1.00 0.00 H new ATOM 522 N SER A 49 12.255 -2.819 -23.655 1.00 0.00 N ATOM 523 CA SER A 49 13.160 -2.710 -22.523 1.00 0.00 C ATOM 524 C SER A 49 12.411 -3.014 -21.224 1.00 0.00 C ATOM 525 O SER A 49 12.896 -3.775 -20.387 1.00 0.00 O ATOM 526 CB SER A 49 13.794 -1.319 -22.457 1.00 0.00 C ATOM 527 OG SER A 49 15.071 -1.285 -23.088 1.00 0.00 O ATOM 0 H SER A 49 12.055 -1.937 -24.127 1.00 0.00 H new ATOM 0 HA SER A 49 13.960 -3.439 -22.653 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.133 -0.596 -22.936 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.896 -1.016 -21.415 1.00 0.00 H new ATOM 0 HG SER A 49 15.442 -0.380 -23.026 1.00 0.00 H new ATOM 533 N ALA A 50 11.242 -2.405 -21.096 1.00 0.00 N ATOM 534 CA ALA A 50 10.421 -2.601 -19.913 1.00 0.00 C ATOM 535 C ALA A 50 9.867 -4.027 -19.912 1.00 0.00 C ATOM 536 O ALA A 50 9.619 -4.600 -18.853 1.00 0.00 O ATOM 537 CB ALA A 50 9.314 -1.545 -19.878 1.00 0.00 C ATOM 0 H ALA A 50 10.843 -1.775 -21.792 1.00 0.00 H new ATOM 0 HA ALA A 50 11.017 -2.478 -19.008 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.698 -1.692 -18.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.760 -0.551 -19.849 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.694 -1.638 -20.769 1.00 0.00 H new ATOM 543 N TYR A 51 9.689 -4.559 -21.113 1.00 0.00 N ATOM 544 CA TYR A 51 9.169 -5.907 -21.264 1.00 0.00 C ATOM 545 C TYR A 51 10.211 -6.947 -20.849 1.00 0.00 C ATOM 546 O TYR A 51 9.905 -7.876 -20.103 1.00 0.00 O ATOM 547 CB TYR A 51 8.862 -6.076 -22.754 1.00 0.00 C ATOM 548 CG TYR A 51 7.650 -5.276 -23.234 1.00 0.00 C ATOM 549 CD1 TYR A 51 7.055 -4.355 -22.396 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.152 -5.475 -24.506 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.914 -3.602 -22.848 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.011 -4.722 -24.958 1.00 0.00 C ATOM 553 CZ TYR A 51 5.448 -3.822 -24.107 1.00 0.00 C ATOM 554 OH TYR A 51 4.370 -3.111 -24.534 1.00 0.00 O ATOM 0 H TYR A 51 9.896 -4.081 -21.990 1.00 0.00 H new ATOM 0 HA TYR A 51 8.289 -6.051 -20.637 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.736 -5.774 -23.331 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.693 -7.132 -22.962 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.445 -4.199 -21.401 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.618 -6.195 -25.162 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.439 -2.879 -22.202 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.611 -4.868 -25.950 1.00 0.00 H new ATOM 0 HH TYR A 51 4.149 -3.372 -25.453 1.00 0.00 H new ATOM 564 N LYS A 52 11.423 -6.757 -21.351 1.00 0.00 N ATOM 565 CA LYS A 52 12.512 -7.667 -21.042 1.00 0.00 C ATOM 566 C LYS A 52 12.907 -7.503 -19.573 1.00 0.00 C ATOM 567 O LYS A 52 13.013 -8.486 -18.841 1.00 0.00 O ATOM 568 CB LYS A 52 13.674 -7.463 -22.017 1.00 0.00 C ATOM 569 CG LYS A 52 14.716 -8.573 -21.868 1.00 0.00 C ATOM 570 CD LYS A 52 15.655 -8.609 -23.076 1.00 0.00 C ATOM 571 CE LYS A 52 16.298 -9.989 -23.229 1.00 0.00 C ATOM 572 NZ LYS A 52 17.344 -10.190 -22.202 1.00 0.00 N ATOM 0 H LYS A 52 11.674 -5.986 -21.970 1.00 0.00 H new ATOM 0 HA LYS A 52 12.193 -8.701 -21.174 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.297 -7.448 -23.040 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.140 -6.495 -21.835 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.294 -8.414 -20.958 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.215 -9.535 -21.763 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.100 -8.360 -23.980 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.431 -7.853 -22.960 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.537 -10.764 -23.138 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.733 -10.086 -24.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.770 -11.131 -22.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.079 -9.462 -22.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.919 -10.119 -21.255 1.00 0.00 H new ATOM 586 N LEU A 53 13.113 -6.253 -19.184 1.00 0.00 N ATOM 587 CA LEU A 53 13.493 -5.948 -17.816 1.00 0.00 C ATOM 588 C LEU A 53 12.328 -6.280 -16.881 1.00 0.00 C ATOM 589 O LEU A 53 12.536 -6.788 -15.780 1.00 0.00 O ATOM 590 CB LEU A 53 13.977 -4.501 -17.704 1.00 0.00 C ATOM 591 CG LEU A 53 14.806 -4.164 -16.463 1.00 0.00 C ATOM 592 CD1 LEU A 53 14.619 -2.701 -16.059 1.00 0.00 C ATOM 593 CD2 LEU A 53 14.485 -5.122 -15.313 1.00 0.00 C ATOM 0 H LEU A 53 13.024 -5.440 -19.793 1.00 0.00 H new ATOM 0 HA LEU A 53 14.336 -6.567 -17.508 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.571 -4.268 -18.588 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.107 -3.845 -17.724 1.00 0.00 H new ATOM 0 HG LEU A 53 15.859 -4.297 -16.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.219 -2.488 -15.174 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.936 -2.054 -16.877 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.568 -2.516 -15.837 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.088 -4.861 -14.443 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.428 -5.044 -15.059 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.711 -6.144 -15.617 1.00 0.00 H new ATOM 605 N GLY A 54 11.127 -5.980 -17.354 1.00 0.00 N ATOM 606 CA GLY A 54 9.929 -6.241 -16.574 1.00 0.00 C ATOM 607 C GLY A 54 9.791 -7.733 -16.264 1.00 0.00 C ATOM 608 O GLY A 54 9.605 -8.116 -15.110 1.00 0.00 O ATOM 0 H GLY A 54 10.958 -5.559 -18.267 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.966 -5.674 -15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.052 -5.897 -17.122 1.00 0.00 H new ATOM 612 N THR A 55 9.887 -8.535 -17.314 1.00 0.00 N ATOM 613 CA THR A 55 9.775 -9.976 -17.168 1.00 0.00 C ATOM 614 C THR A 55 10.949 -10.522 -16.354 1.00 0.00 C ATOM 615 O THR A 55 10.795 -11.486 -15.604 1.00 0.00 O ATOM 616 CB THR A 55 9.670 -10.586 -18.567 1.00 0.00 C ATOM 617 OG1 THR A 55 8.996 -11.824 -18.357 1.00 0.00 O ATOM 618 CG2 THR A 55 11.032 -10.995 -19.132 1.00 0.00 C ATOM 0 H THR A 55 10.041 -8.214 -18.270 1.00 0.00 H new ATOM 0 HA THR A 55 8.879 -10.249 -16.611 1.00 0.00 H new ATOM 0 HB THR A 55 9.198 -9.870 -19.240 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.885 -12.285 -19.214 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.900 -11.422 -20.126 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.677 -10.119 -19.196 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.490 -11.736 -18.477 1.00 0.00 H new ATOM 626 N TYR A 56 12.097 -9.884 -16.528 1.00 0.00 N ATOM 627 CA TYR A 56 13.297 -10.294 -15.819 1.00 0.00 C ATOM 628 C TYR A 56 13.090 -10.222 -14.304 1.00 0.00 C ATOM 629 O TYR A 56 13.345 -11.192 -13.593 1.00 0.00 O ATOM 630 CB TYR A 56 14.386 -9.297 -16.220 1.00 0.00 C ATOM 631 CG TYR A 56 15.782 -9.662 -15.711 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.204 -10.975 -15.735 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.619 -8.677 -15.228 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.518 -11.318 -15.256 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.933 -9.020 -14.748 1.00 0.00 C ATOM 636 CZ TYR A 56 18.317 -10.324 -14.786 1.00 0.00 C ATOM 637 OH TYR A 56 19.558 -10.648 -14.333 1.00 0.00 O ATOM 0 H TYR A 56 12.222 -9.085 -17.150 1.00 0.00 H new ATOM 0 HA TYR A 56 13.558 -11.322 -16.070 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.415 -9.224 -17.307 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.119 -8.311 -15.841 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.549 -11.746 -16.113 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.289 -7.649 -15.210 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.861 -12.342 -15.270 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.598 -8.259 -14.367 1.00 0.00 H new ATOM 0 HH TYR A 56 20.017 -9.837 -14.029 1.00 0.00 H new ATOM 647 N LEU A 57 12.630 -9.063 -13.856 1.00 0.00 N ATOM 648 CA LEU A 57 12.385 -8.852 -12.440 1.00 0.00 C ATOM 649 C LEU A 57 11.153 -9.653 -12.014 1.00 0.00 C ATOM 650 O LEU A 57 11.192 -10.376 -11.019 1.00 0.00 O ATOM 651 CB LEU A 57 12.284 -7.357 -12.130 1.00 0.00 C ATOM 652 CG LEU A 57 12.668 -6.939 -10.710 1.00 0.00 C ATOM 653 CD1 LEU A 57 14.027 -7.520 -10.316 1.00 0.00 C ATOM 654 CD2 LEU A 57 12.630 -5.417 -10.558 1.00 0.00 C ATOM 0 H LEU A 57 12.421 -8.260 -14.449 1.00 0.00 H new ATOM 0 HA LEU A 57 13.224 -9.220 -11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.921 -6.817 -12.831 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.259 -7.036 -12.317 1.00 0.00 H new ATOM 0 HG LEU A 57 11.930 -7.350 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.276 -7.207 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.984 -8.608 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.791 -7.159 -11.005 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.907 -5.146 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.332 -4.964 -11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.624 -5.055 -10.769 1.00 0.00 H new ATOM 666 N TYR A 58 10.090 -9.499 -12.789 1.00 0.00 N ATOM 667 CA TYR A 58 8.849 -10.199 -12.504 1.00 0.00 C ATOM 668 C TYR A 58 9.094 -11.698 -12.325 1.00 0.00 C ATOM 669 O TYR A 58 8.402 -12.355 -11.548 1.00 0.00 O ATOM 670 CB TYR A 58 7.953 -9.983 -13.726 1.00 0.00 C ATOM 671 CG TYR A 58 7.151 -8.680 -13.687 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.548 -8.276 -12.514 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.031 -7.910 -14.826 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.794 -7.050 -12.478 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.277 -6.684 -14.790 1.00 0.00 C ATOM 676 CZ TYR A 58 5.695 -6.315 -13.618 1.00 0.00 C ATOM 677 OH TYR A 58 4.983 -5.157 -13.584 1.00 0.00 O ATOM 0 H TYR A 58 10.062 -8.900 -13.614 1.00 0.00 H new ATOM 0 HA TYR A 58 8.399 -9.825 -11.584 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.572 -9.990 -14.623 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.261 -10.821 -13.809 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.641 -8.879 -11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.503 -8.227 -15.744 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.318 -6.721 -11.566 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.176 -6.071 -15.674 1.00 0.00 H new ATOM 0 HH TYR A 58 4.999 -4.737 -14.469 1.00 0.00 H new ATOM 687 N GLN A 59 10.080 -12.196 -13.056 1.00 0.00 N ATOM 688 CA GLN A 59 10.425 -13.605 -12.987 1.00 0.00 C ATOM 689 C GLN A 59 11.941 -13.776 -12.865 1.00 0.00 C ATOM 690 O GLN A 59 12.679 -13.492 -13.807 1.00 0.00 O ATOM 691 CB GLN A 59 9.885 -14.362 -14.202 1.00 0.00 C ATOM 692 CG GLN A 59 9.805 -15.864 -13.921 1.00 0.00 C ATOM 693 CD GLN A 59 11.119 -16.560 -14.281 1.00 0.00 C ATOM 694 OE1 GLN A 59 12.060 -15.954 -14.766 1.00 0.00 O ATOM 695 NE2 GLN A 59 11.130 -17.864 -14.018 1.00 0.00 N ATOM 0 H GLN A 59 10.651 -11.648 -13.699 1.00 0.00 H new ATOM 0 HA GLN A 59 9.958 -14.029 -12.098 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.896 -13.984 -14.461 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.530 -14.183 -15.062 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.579 -16.029 -12.868 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.988 -16.302 -14.495 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.307 -18.309 -13.611 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.961 -18.419 -14.223 1.00 0.00 H new ATOM 856 N LEU A 70 4.477 -13.954 -19.560 1.00 0.00 N ATOM 857 CA LEU A 70 4.963 -12.587 -19.645 1.00 0.00 C ATOM 858 C LEU A 70 3.782 -11.645 -19.890 1.00 0.00 C ATOM 859 O LEU A 70 3.876 -10.446 -19.632 1.00 0.00 O ATOM 860 CB LEU A 70 6.068 -12.475 -20.698 1.00 0.00 C ATOM 861 CG LEU A 70 6.238 -11.101 -21.348 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.551 -10.033 -20.298 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.294 -11.145 -22.454 1.00 0.00 C ATOM 0 HA LEU A 70 5.421 -12.286 -18.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.014 -12.755 -20.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.869 -13.204 -21.483 1.00 0.00 H new ATOM 0 HG LEU A 70 5.293 -10.825 -21.816 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.667 -9.066 -20.786 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.734 -9.980 -19.578 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.475 -10.291 -19.780 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.395 -10.156 -22.900 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.251 -11.452 -22.032 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.989 -11.858 -23.220 1.00 0.00 H new ATOM 875 N THR A 71 2.698 -12.224 -20.386 1.00 0.00 N ATOM 876 CA THR A 71 1.501 -11.451 -20.668 1.00 0.00 C ATOM 877 C THR A 71 1.095 -10.629 -19.443 1.00 0.00 C ATOM 878 O THR A 71 0.602 -9.510 -19.578 1.00 0.00 O ATOM 879 CB THR A 71 0.413 -12.419 -21.138 1.00 0.00 C ATOM 880 OG1 THR A 71 -0.488 -11.598 -21.875 1.00 0.00 O ATOM 881 CG2 THR A 71 -0.432 -12.955 -19.981 1.00 0.00 C ATOM 0 H THR A 71 2.624 -13.219 -20.600 1.00 0.00 H new ATOM 0 HA THR A 71 1.677 -10.726 -21.463 1.00 0.00 H new ATOM 0 HB THR A 71 0.873 -13.253 -21.668 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.224 -12.146 -22.218 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.189 -13.637 -20.369 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.209 -13.486 -19.278 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.919 -12.124 -19.471 1.00 0.00 H new ATOM 889 N GLU A 72 1.317 -11.216 -18.277 1.00 0.00 N ATOM 890 CA GLU A 72 0.981 -10.551 -17.029 1.00 0.00 C ATOM 891 C GLU A 72 1.797 -9.266 -16.875 1.00 0.00 C ATOM 892 O GLU A 72 1.241 -8.202 -16.606 1.00 0.00 O ATOM 893 CB GLU A 72 1.197 -11.484 -15.836 1.00 0.00 C ATOM 894 CG GLU A 72 0.230 -11.151 -14.697 1.00 0.00 C ATOM 895 CD GLU A 72 0.128 -12.313 -13.707 1.00 0.00 C ATOM 896 OE1 GLU A 72 0.354 -13.472 -14.086 1.00 0.00 O ATOM 897 OE2 GLU A 72 -0.198 -11.978 -12.505 1.00 0.00 O ATOM 0 H GLU A 72 1.725 -12.145 -18.169 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.076 -10.286 -17.055 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.054 -12.518 -16.148 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.224 -11.397 -15.483 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.569 -10.255 -14.178 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.756 -10.929 -15.105 1.00 0.00 H new ATOM 905 N ALA A 73 3.103 -9.407 -17.052 1.00 0.00 N ATOM 906 CA ALA A 73 4.001 -8.271 -16.936 1.00 0.00 C ATOM 907 C ALA A 73 3.646 -7.235 -18.005 1.00 0.00 C ATOM 908 O ALA A 73 3.456 -6.060 -17.696 1.00 0.00 O ATOM 909 CB ALA A 73 5.449 -8.751 -17.047 1.00 0.00 C ATOM 0 H ALA A 73 3.560 -10.291 -17.275 1.00 0.00 H new ATOM 0 HA ALA A 73 3.891 -7.792 -15.963 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.123 -7.898 -16.960 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.659 -9.462 -16.248 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.599 -9.235 -18.012 1.00 0.00 H new ATOM 915 N ARG A 74 3.568 -7.709 -19.239 1.00 0.00 N ATOM 916 CA ARG A 74 3.240 -6.839 -20.356 1.00 0.00 C ATOM 917 C ARG A 74 1.854 -6.222 -20.158 1.00 0.00 C ATOM 918 O ARG A 74 1.597 -5.106 -20.608 1.00 0.00 O ATOM 919 CB ARG A 74 3.265 -7.607 -21.679 1.00 0.00 C ATOM 920 CG ARG A 74 3.089 -6.659 -22.866 1.00 0.00 C ATOM 921 CD ARG A 74 2.901 -7.440 -24.169 1.00 0.00 C ATOM 922 NE ARG A 74 4.217 -7.853 -24.705 1.00 0.00 N ATOM 923 CZ ARG A 74 4.409 -8.321 -25.946 1.00 0.00 C ATOM 924 NH1 ARG A 74 3.372 -8.439 -26.786 1.00 0.00 N ATOM 925 NH2 ARG A 74 5.639 -8.673 -26.347 1.00 0.00 N ATOM 0 H ARG A 74 3.726 -8.685 -19.491 1.00 0.00 H new ATOM 0 HA ARG A 74 3.991 -6.050 -20.394 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.209 -8.144 -21.774 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.471 -8.354 -21.685 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.226 -6.015 -22.696 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.960 -6.010 -22.950 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.280 -8.318 -23.990 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.378 -6.823 -24.900 1.00 0.00 H new ATOM 0 HE ARG A 74 5.028 -7.777 -24.092 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.436 -8.173 -26.481 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.519 -8.795 -27.730 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.429 -8.585 -25.707 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.785 -9.029 -27.292 1.00 0.00 H new ATOM 939 N ASP A 75 0.997 -6.974 -19.484 1.00 0.00 N ATOM 940 CA ASP A 75 -0.357 -6.515 -19.221 1.00 0.00 C ATOM 941 C ASP A 75 -0.316 -5.387 -18.189 1.00 0.00 C ATOM 942 O ASP A 75 -1.109 -4.449 -18.258 1.00 0.00 O ATOM 943 CB ASP A 75 -1.221 -7.643 -18.655 1.00 0.00 C ATOM 944 CG ASP A 75 -1.885 -8.538 -19.703 1.00 0.00 C ATOM 945 OD1 ASP A 75 -2.052 -9.749 -19.496 1.00 0.00 O ATOM 946 OD2 ASP A 75 -2.244 -7.935 -20.786 1.00 0.00 O ATOM 0 H ASP A 75 1.214 -7.899 -19.112 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.786 -6.171 -20.162 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.602 -8.265 -18.008 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.998 -7.205 -18.028 1.00 0.00 H new ATOM 952 N ALA A 76 0.616 -5.514 -17.256 1.00 0.00 N ATOM 953 CA ALA A 76 0.770 -4.516 -16.211 1.00 0.00 C ATOM 954 C ALA A 76 1.241 -3.201 -16.834 1.00 0.00 C ATOM 955 O ALA A 76 0.648 -2.150 -16.597 1.00 0.00 O ATOM 956 CB ALA A 76 1.739 -5.037 -15.147 1.00 0.00 C ATOM 0 H ALA A 76 1.272 -6.293 -17.202 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.183 -4.325 -15.719 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.855 -4.289 -14.363 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.345 -5.957 -14.715 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.708 -5.237 -15.604 1.00 0.00 H new ATOM 962 N ILE A 77 2.304 -3.301 -17.619 1.00 0.00 N ATOM 963 CA ILE A 77 2.861 -2.132 -18.278 1.00 0.00 C ATOM 964 C ILE A 77 1.904 -1.667 -19.378 1.00 0.00 C ATOM 965 O ILE A 77 1.830 -0.477 -19.678 1.00 0.00 O ATOM 966 CB ILE A 77 4.278 -2.423 -18.778 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.276 -3.565 -19.796 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.226 -2.698 -17.609 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.608 -4.318 -19.777 1.00 0.00 C ATOM 0 H ILE A 77 2.794 -4.174 -17.813 1.00 0.00 H new ATOM 0 HA ILE A 77 2.960 -1.308 -17.572 1.00 0.00 H new ATOM 0 HB ILE A 77 4.649 -1.535 -19.291 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.461 -4.254 -19.573 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.093 -3.167 -20.794 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.226 -2.902 -17.992 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.259 -1.827 -16.954 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.870 -3.561 -17.047 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.580 -5.125 -20.510 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.418 -3.631 -20.024 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.776 -4.735 -18.784 1.00 0.00 H new ATOM 981 N LYS A 78 1.196 -2.631 -19.948 1.00 0.00 N ATOM 982 CA LYS A 78 0.247 -2.335 -21.008 1.00 0.00 C ATOM 983 C LYS A 78 -0.906 -1.508 -20.438 1.00 0.00 C ATOM 984 O LYS A 78 -1.387 -0.578 -21.084 1.00 0.00 O ATOM 985 CB LYS A 78 -0.203 -3.624 -21.699 1.00 0.00 C ATOM 986 CG LYS A 78 -1.396 -3.364 -22.621 1.00 0.00 C ATOM 987 CD LYS A 78 -0.963 -2.601 -23.875 1.00 0.00 C ATOM 988 CE LYS A 78 -0.300 -3.539 -24.885 1.00 0.00 C ATOM 989 NZ LYS A 78 0.165 -2.781 -26.069 1.00 0.00 N ATOM 0 H LYS A 78 1.260 -3.617 -19.696 1.00 0.00 H new ATOM 0 HA LYS A 78 0.718 -1.732 -21.784 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.623 -4.039 -22.276 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.473 -4.367 -20.949 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.853 -4.312 -22.907 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.155 -2.793 -22.087 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.830 -2.123 -24.332 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.269 -1.807 -23.600 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.543 -4.049 -24.418 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.007 -4.309 -25.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.613 -3.433 -26.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.646 -2.315 -26.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.856 -2.062 -25.772 1.00 0.00 H new ATOM 1003 N ASP A 79 -1.317 -1.876 -19.233 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.405 -1.179 -18.568 1.00 0.00 C ATOM 1005 C ASP A 79 -1.904 0.175 -18.061 1.00 0.00 C ATOM 1006 O ASP A 79 -2.563 1.196 -18.250 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.916 -1.975 -17.366 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.567 -1.136 -16.264 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.004 -0.969 -15.172 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.716 -0.635 -16.567 1.00 0.00 O ATOM 0 H ASP A 79 -0.916 -2.648 -18.700 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.214 -1.053 -19.287 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.640 -2.710 -17.717 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.082 -2.529 -16.935 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.741 0.139 -17.427 1.00 0.00 N ATOM 1017 CA ALA A 80 -0.144 1.350 -16.891 1.00 0.00 C ATOM 1018 C ALA A 80 0.065 2.356 -18.025 1.00 0.00 C ATOM 1019 O ALA A 80 -0.340 3.512 -17.916 1.00 0.00 O ATOM 1020 CB ALA A 80 1.162 1.001 -16.173 1.00 0.00 C ATOM 0 H ALA A 80 -0.197 -0.710 -17.273 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.806 1.812 -16.158 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.610 1.910 -15.771 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.955 0.307 -15.358 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.852 0.537 -16.878 1.00 0.00 H new ATOM 1026 N TYR A 81 0.697 1.879 -19.087 1.00 0.00 N ATOM 1027 CA TYR A 81 0.964 2.721 -20.240 1.00 0.00 C ATOM 1028 C TYR A 81 -0.335 3.281 -20.823 1.00 0.00 C ATOM 1029 O TYR A 81 -0.422 4.469 -21.128 1.00 0.00 O ATOM 1030 CB TYR A 81 1.628 1.816 -21.279 1.00 0.00 C ATOM 1031 CG TYR A 81 3.125 1.596 -21.049 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.595 1.326 -19.780 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.004 1.669 -22.110 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.003 1.119 -19.563 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.413 1.462 -21.892 1.00 0.00 C ATOM 1036 CZ TYR A 81 5.843 1.198 -20.630 1.00 0.00 C ATOM 1037 OH TYR A 81 7.173 1.003 -20.424 1.00 0.00 O ATOM 0 H TYR A 81 1.032 0.919 -19.173 1.00 0.00 H new ATOM 0 HA TYR A 81 1.593 3.566 -19.960 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.125 0.849 -21.278 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.483 2.249 -22.269 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.907 1.270 -18.950 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.636 1.881 -23.103 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.384 0.906 -18.575 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.112 1.515 -22.713 1.00 0.00 H new ATOM 0 HH TYR A 81 7.301 0.390 -19.671 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.312 2.397 -20.962 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.603 2.788 -21.503 1.00 0.00 C ATOM 1049 C GLU A 82 -3.371 3.635 -20.487 1.00 0.00 C ATOM 1050 O GLU A 82 -4.250 4.410 -20.858 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.416 1.561 -21.921 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.877 1.934 -22.182 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.697 1.871 -20.892 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -6.584 2.711 -20.679 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.388 0.904 -20.096 1.00 0.00 O ATOM 0 H GLU A 82 -1.236 1.412 -20.710 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.433 3.392 -22.394 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.983 1.122 -22.820 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.365 0.803 -21.140 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.930 2.938 -22.602 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.303 1.256 -22.921 1.00 0.00 H new ATOM 1063 N SER A 83 -3.011 3.457 -19.224 1.00 0.00 N ATOM 1064 CA SER A 83 -3.655 4.195 -18.151 1.00 0.00 C ATOM 1065 C SER A 83 -3.074 5.608 -18.065 1.00 0.00 C ATOM 1066 O SER A 83 -3.789 6.559 -17.755 1.00 0.00 O ATOM 1067 CB SER A 83 -3.495 3.473 -16.812 1.00 0.00 C ATOM 1068 OG SER A 83 -2.153 3.526 -16.334 1.00 0.00 O ATOM 0 H SER A 83 -2.281 2.812 -18.920 1.00 0.00 H new ATOM 0 HA SER A 83 -4.720 4.260 -18.373 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.160 3.923 -16.075 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.800 2.432 -16.923 1.00 0.00 H new ATOM 0 HG SER A 83 -1.555 3.783 -17.066 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.782 5.700 -18.346 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.096 6.980 -18.304 1.00 0.00 C ATOM 1076 C TYR A 84 -0.849 7.516 -19.715 1.00 0.00 C ATOM 1077 O TYR A 84 -0.274 8.590 -19.884 1.00 0.00 O ATOM 1078 CB TYR A 84 0.251 6.715 -17.628 1.00 0.00 C ATOM 1079 CG TYR A 84 0.186 6.692 -16.100 1.00 0.00 C ATOM 1080 CD1 TYR A 84 0.368 7.857 -15.383 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.053 5.505 -15.438 1.00 0.00 C ATOM 1082 CE1 TYR A 84 0.308 7.835 -13.945 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.114 5.483 -13.999 1.00 0.00 C ATOM 1084 CZ TYR A 84 0.070 6.649 -13.324 1.00 0.00 C ATOM 1085 OH TYR A 84 0.012 6.628 -11.965 1.00 0.00 O ATOM 0 H TYR A 84 -1.192 4.909 -18.604 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.694 7.718 -17.769 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.641 5.760 -17.979 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.960 7.482 -17.940 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.556 8.786 -15.901 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.194 4.593 -15.999 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.449 8.740 -13.372 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.302 4.561 -13.468 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.166 5.714 -11.659 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.295 6.742 -20.694 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.129 7.125 -22.086 1.00 0.00 C ATOM 1097 C CYS A 85 -1.573 8.582 -22.239 1.00 0.00 C ATOM 1098 O CYS A 85 -2.617 8.975 -21.720 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.898 6.193 -23.025 1.00 0.00 C ATOM 1100 SG CYS A 85 -3.698 6.384 -22.761 1.00 0.00 S ATOM 0 H CYS A 85 -1.771 5.851 -20.551 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.080 7.033 -22.369 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.648 6.420 -24.061 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.604 5.159 -22.846 1.00 0.00 H new ATOM 0 HG CYS A 85 -4.114 5.473 -21.932 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.758 9.343 -22.954 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.053 10.747 -23.182 1.00 0.00 C ATOM 1108 C GLY A 86 -0.460 11.619 -22.074 1.00 0.00 C ATOM 1109 O GLY A 86 -0.586 12.843 -22.107 1.00 0.00 O ATOM 0 H GLY A 86 0.107 9.014 -23.383 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.650 11.055 -24.147 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.132 10.893 -23.226 1.00 0.00 H new ATOM 1113 N ILE A 87 0.174 10.956 -21.119 1.00 0.00 N ATOM 1114 CA ILE A 87 0.787 11.655 -20.002 1.00 0.00 C ATOM 1115 C ILE A 87 2.290 11.369 -19.990 1.00 0.00 C ATOM 1116 O ILE A 87 2.730 10.366 -19.430 1.00 0.00 O ATOM 1117 CB ILE A 87 0.082 11.296 -18.693 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.431 11.482 -18.816 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.663 12.090 -17.521 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -2.173 10.649 -17.769 1.00 0.00 C ATOM 0 H ILE A 87 0.277 9.941 -21.095 1.00 0.00 H new ATOM 0 HA ILE A 87 0.668 12.733 -20.115 1.00 0.00 H new ATOM 0 HB ILE A 87 0.261 10.241 -18.488 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.683 12.535 -18.693 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.757 11.191 -19.815 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.144 11.816 -16.603 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.724 11.864 -17.419 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.535 13.157 -17.705 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.247 10.800 -17.879 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.938 9.594 -17.910 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.863 10.959 -16.771 1.00 0.00 H new ATOM 1132 N ASP A 88 3.037 12.268 -20.614 1.00 0.00 N ATOM 1133 CA ASP A 88 4.481 12.125 -20.682 1.00 0.00 C ATOM 1134 C ASP A 88 5.137 13.191 -19.802 1.00 0.00 C ATOM 1135 O ASP A 88 6.297 13.056 -19.417 1.00 0.00 O ATOM 1136 CB ASP A 88 4.987 12.317 -22.113 1.00 0.00 C ATOM 1137 CG ASP A 88 3.997 11.915 -23.208 1.00 0.00 C ATOM 1138 OD1 ASP A 88 4.319 11.113 -24.097 1.00 0.00 O ATOM 1139 OD2 ASP A 88 2.835 12.470 -23.123 1.00 0.00 O ATOM 0 H ASP A 88 2.669 13.099 -21.077 1.00 0.00 H new ATOM 0 HA ASP A 88 4.737 11.122 -20.341 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.252 13.365 -22.251 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.901 11.737 -22.240 1.00 0.00 H new ATOM 1145 N ASP A 89 4.365 14.228 -19.509 1.00 0.00 N ATOM 1146 CA ASP A 89 4.857 15.316 -18.682 1.00 0.00 C ATOM 1147 C ASP A 89 3.669 16.066 -18.075 1.00 0.00 C ATOM 1148 O ASP A 89 2.593 16.118 -18.669 1.00 0.00 O ATOM 1149 CB ASP A 89 5.672 16.312 -19.509 1.00 0.00 C ATOM 1150 CG ASP A 89 7.085 15.850 -19.869 1.00 0.00 C ATOM 1151 OD1 ASP A 89 7.389 15.579 -21.040 1.00 0.00 O ATOM 1152 OD2 ASP A 89 7.903 15.771 -18.875 1.00 0.00 O ATOM 0 H ASP A 89 3.403 14.337 -19.830 1.00 0.00 H new ATOM 0 HA ASP A 89 5.491 14.889 -17.905 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.130 16.525 -20.430 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.742 17.249 -18.956 1.00 0.00 H new