USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=20 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 Single : A 16 GLN : amide:sc= -0.888 K(o=-0.89,f=-4.6!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.027 F(o=-1.3,f=-0.027) USER MOD Single : A 21 MET CE :methyl -140:sc= -5.79! (180deg=-8.21!) USER MOD Single : A 22 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 25 MET CE :methyl 156:sc= -7.54! (180deg=-9.31!) USER MOD Single : A 27 SER OG : rot 41:sc= -4.48! USER MOD Single : A 33 CYS SG : rot 170:sc= 0 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -9.16! C(o=-11!,f=-9.2!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.577 F(o=-1.6!,f=-0.58) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 175:sc= -1.74! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -125:sc= -2.55! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 88:sc= -1.89 USER MOD Single : A 59 GLN : amide:sc= -2.87! C(o=-2.9!,f=-5!) 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 0:sc= -0.918 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.238 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 0.894 -3.374 -5.274 1.00 0.00 N ATOM 31 CA GLN A 16 1.869 -4.412 -5.565 1.00 0.00 C ATOM 32 C GLN A 16 2.440 -4.226 -6.972 1.00 0.00 C ATOM 33 O GLN A 16 3.656 -4.204 -7.154 1.00 0.00 O ATOM 34 CB GLN A 16 1.253 -5.803 -5.403 1.00 0.00 C ATOM 35 CG GLN A 16 0.805 -6.040 -3.959 1.00 0.00 C ATOM 36 CD GLN A 16 2.002 -6.343 -3.056 1.00 0.00 C ATOM 37 OE1 GLN A 16 3.006 -5.650 -3.060 1.00 0.00 O ATOM 38 NE2 GLN A 16 1.841 -7.415 -2.285 1.00 0.00 N ATOM 0 HA GLN A 16 2.686 -4.326 -4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.400 -5.907 -6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.980 -6.562 -5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.279 -5.160 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.100 -6.871 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.974 -7.951 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.584 -7.701 -1.647 1.00 0.00 H new ATOM 47 N GLU A 17 1.535 -4.096 -7.931 1.00 0.00 N ATOM 48 CA GLU A 17 1.933 -3.911 -9.316 1.00 0.00 C ATOM 49 C GLU A 17 2.945 -2.770 -9.430 1.00 0.00 C ATOM 50 O GLU A 17 3.857 -2.823 -10.254 1.00 0.00 O ATOM 51 CB GLU A 17 0.716 -3.656 -10.207 1.00 0.00 C ATOM 52 CG GLU A 17 0.043 -2.329 -9.849 1.00 0.00 C ATOM 53 CD GLU A 17 -1.155 -2.058 -10.762 1.00 0.00 C ATOM 54 OE1 GLU A 17 -1.582 -0.902 -10.896 1.00 0.00 O ATOM 55 OE2 GLU A 17 -1.643 -3.100 -11.344 1.00 0.00 O ATOM 0 H GLU A 17 0.527 -4.115 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 17 2.409 -4.828 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.023 -3.642 -11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.002 -4.472 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.285 -2.352 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.764 -1.516 -9.938 1.00 0.00 H new ATOM 63 N GLN A 18 2.752 -1.764 -8.589 1.00 0.00 N ATOM 64 CA GLN A 18 3.636 -0.611 -8.585 1.00 0.00 C ATOM 65 C GLN A 18 5.041 -1.021 -8.137 1.00 0.00 C ATOM 66 O GLN A 18 6.032 -0.444 -8.582 1.00 0.00 O ATOM 67 CB GLN A 18 3.081 0.503 -7.697 1.00 0.00 C ATOM 68 CG GLN A 18 2.163 1.433 -8.493 1.00 0.00 C ATOM 69 CD GLN A 18 2.904 2.702 -8.919 1.00 0.00 C ATOM 70 OE1 GLN A 18 4.179 2.503 -9.238 1.00 0.00 O flip ATOM 71 NE2 GLN A 18 2.353 3.790 -8.956 1.00 0.00 N flip ATOM 0 H GLN A 18 1.996 -1.724 -7.905 1.00 0.00 H new ATOM 0 HA GLN A 18 3.698 -0.222 -9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.529 0.068 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.904 1.076 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.789 0.913 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.296 1.699 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.370 3.873 -8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.876 4.617 -9.245 1.00 0.00 H new ATOM 80 N TRP A 19 5.081 -2.015 -7.261 1.00 0.00 N ATOM 81 CA TRP A 19 6.347 -2.509 -6.748 1.00 0.00 C ATOM 82 C TRP A 19 7.221 -2.899 -7.942 1.00 0.00 C ATOM 83 O TRP A 19 8.427 -2.654 -7.939 1.00 0.00 O ATOM 84 CB TRP A 19 6.128 -3.661 -5.766 1.00 0.00 C ATOM 85 CG TRP A 19 7.362 -4.010 -4.931 1.00 0.00 C ATOM 86 CD1 TRP A 19 7.805 -3.406 -3.820 1.00 0.00 C ATOM 87 CD2 TRP A 19 8.300 -5.077 -5.187 1.00 0.00 C ATOM 88 NE1 TRP A 19 8.955 -4.002 -3.344 1.00 0.00 N ATOM 89 CE2 TRP A 19 9.265 -5.051 -4.201 1.00 0.00 C ATOM 90 CE3 TRP A 19 8.331 -6.033 -6.218 1.00 0.00 C ATOM 91 CZ2 TRP A 19 10.332 -5.955 -4.149 1.00 0.00 C ATOM 92 CZ3 TRP A 19 9.404 -6.930 -6.152 1.00 0.00 C ATOM 93 CH2 TRP A 19 10.384 -6.916 -5.166 1.00 0.00 C ATOM 0 H TRP A 19 4.257 -2.491 -6.894 1.00 0.00 H new ATOM 0 HA TRP A 19 6.861 -1.735 -6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 19 5.309 -3.402 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.817 -4.545 -6.322 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.323 -2.559 -3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.481 -3.724 -2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.586 -6.072 -6.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 11.075 -5.914 -3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.475 -7.685 -6.921 1.00 0.00 H new ATOM 0 HH2 TRP A 19 11.182 -7.643 -5.184 1.00 0.00 H new ATOM 104 N ALA A 20 6.580 -3.500 -8.933 1.00 0.00 N ATOM 105 CA ALA A 20 7.284 -3.927 -10.130 1.00 0.00 C ATOM 106 C ALA A 20 7.646 -2.699 -10.968 1.00 0.00 C ATOM 107 O ALA A 20 8.732 -2.633 -11.543 1.00 0.00 O ATOM 108 CB ALA A 20 6.420 -4.925 -10.903 1.00 0.00 C ATOM 0 H ALA A 20 5.580 -3.702 -8.932 1.00 0.00 H new ATOM 0 HA ALA A 20 8.213 -4.434 -9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.949 -5.245 -11.801 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.215 -5.792 -10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.480 -4.451 -11.185 1.00 0.00 H new ATOM 114 N MET A 21 6.716 -1.756 -11.010 1.00 0.00 N ATOM 115 CA MET A 21 6.924 -0.534 -11.768 1.00 0.00 C ATOM 116 C MET A 21 8.202 0.179 -11.320 1.00 0.00 C ATOM 117 O MET A 21 8.715 1.044 -12.028 1.00 0.00 O ATOM 118 CB MET A 21 5.726 0.397 -11.575 1.00 0.00 C ATOM 119 CG MET A 21 4.551 -0.029 -12.458 1.00 0.00 C ATOM 120 SD MET A 21 3.727 1.411 -13.115 1.00 0.00 S ATOM 121 CE MET A 21 4.791 1.770 -14.503 1.00 0.00 C ATOM 0 H MET A 21 5.817 -1.814 -10.532 1.00 0.00 H new ATOM 0 HA MET A 21 7.026 -0.796 -12.821 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.420 0.390 -10.529 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.014 1.420 -11.816 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.908 -0.658 -13.274 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.848 -0.627 -11.878 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.927 2.848 -14.588 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.759 1.292 -14.352 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.337 1.389 -15.418 1.00 0.00 H new ATOM 131 N GLN A 22 8.679 -0.211 -10.147 1.00 0.00 N ATOM 132 CA GLN A 22 9.887 0.379 -9.597 1.00 0.00 C ATOM 133 C GLN A 22 10.991 0.413 -10.655 1.00 0.00 C ATOM 134 O GLN A 22 11.085 1.363 -11.430 1.00 0.00 O ATOM 135 CB GLN A 22 10.346 -0.376 -8.348 1.00 0.00 C ATOM 136 CG GLN A 22 9.523 0.035 -7.125 1.00 0.00 C ATOM 137 CD GLN A 22 10.330 -0.143 -5.837 1.00 0.00 C ATOM 138 OE1 GLN A 22 11.539 0.017 -5.803 1.00 0.00 O ATOM 139 NE2 GLN A 22 9.595 -0.482 -4.781 1.00 0.00 N ATOM 0 H GLN A 22 8.250 -0.929 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 22 9.665 1.404 -9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.250 -1.449 -8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.402 -0.175 -8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.213 1.075 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.614 -0.565 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.587 -0.600 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.040 -0.624 -3.874 1.00 0.00 H new ATOM 148 N THR A 23 11.800 -0.637 -10.653 1.00 0.00 N ATOM 149 CA THR A 23 12.895 -0.740 -11.603 1.00 0.00 C ATOM 150 C THR A 23 12.398 -0.457 -13.022 1.00 0.00 C ATOM 151 O THR A 23 13.037 0.279 -13.772 1.00 0.00 O ATOM 152 CB THR A 23 13.529 -2.123 -11.446 1.00 0.00 C ATOM 153 OG1 THR A 23 13.943 -2.162 -10.083 1.00 0.00 O ATOM 154 CG2 THR A 23 14.832 -2.263 -12.236 1.00 0.00 C ATOM 0 H THR A 23 11.719 -1.424 -10.009 1.00 0.00 H new ATOM 0 HA THR A 23 13.662 0.009 -11.405 1.00 0.00 H new ATOM 0 HB THR A 23 12.823 -2.886 -11.774 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.364 -3.026 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.240 -3.263 -12.090 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.634 -2.103 -13.296 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.551 -1.523 -11.886 1.00 0.00 H new ATOM 162 N LEU A 24 11.261 -1.056 -13.347 1.00 0.00 N ATOM 163 CA LEU A 24 10.671 -0.878 -14.662 1.00 0.00 C ATOM 164 C LEU A 24 10.807 0.587 -15.084 1.00 0.00 C ATOM 165 O LEU A 24 11.542 0.902 -16.018 1.00 0.00 O ATOM 166 CB LEU A 24 9.229 -1.390 -14.677 1.00 0.00 C ATOM 167 CG LEU A 24 8.753 -2.017 -15.989 1.00 0.00 C ATOM 168 CD1 LEU A 24 8.882 -3.541 -15.947 1.00 0.00 C ATOM 169 CD2 LEU A 24 7.329 -1.571 -16.324 1.00 0.00 C ATOM 0 H LEU A 24 10.733 -1.665 -12.722 1.00 0.00 H new ATOM 0 HA LEU A 24 11.205 -1.475 -15.402 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.119 -2.129 -13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.567 -0.559 -14.433 1.00 0.00 H new ATOM 0 HG LEU A 24 9.399 -1.662 -16.792 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.537 -3.962 -16.892 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.925 -3.814 -15.788 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.276 -3.935 -15.131 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.015 -2.031 -17.261 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.654 -1.878 -15.525 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.302 -0.486 -16.425 1.00 0.00 H new ATOM 181 N MET A 25 10.087 1.443 -14.374 1.00 0.00 N ATOM 182 CA MET A 25 10.118 2.867 -14.662 1.00 0.00 C ATOM 183 C MET A 25 11.542 3.416 -14.557 1.00 0.00 C ATOM 184 O MET A 25 11.898 4.366 -15.253 1.00 0.00 O ATOM 185 CB MET A 25 9.211 3.607 -13.677 1.00 0.00 C ATOM 186 CG MET A 25 7.775 3.088 -13.758 1.00 0.00 C ATOM 187 SD MET A 25 6.669 4.415 -14.208 1.00 0.00 S ATOM 188 CE MET A 25 7.404 4.919 -15.754 1.00 0.00 C ATOM 0 H MET A 25 9.478 1.178 -13.600 1.00 0.00 H new ATOM 0 HA MET A 25 9.764 3.021 -15.681 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.590 3.481 -12.663 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.228 4.675 -13.893 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.711 2.285 -14.493 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.478 2.666 -12.798 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.652 5.412 -16.371 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.224 5.611 -15.559 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.786 4.043 -16.278 1.00 0.00 H new ATOM 198 N GLY A 26 12.319 2.795 -13.682 1.00 0.00 N ATOM 199 CA GLY A 26 13.697 3.210 -13.478 1.00 0.00 C ATOM 200 C GLY A 26 14.596 2.700 -14.605 1.00 0.00 C ATOM 201 O GLY A 26 15.761 3.084 -14.697 1.00 0.00 O ATOM 0 H GLY A 26 12.021 2.008 -13.106 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.750 4.298 -13.430 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.057 2.831 -12.521 1.00 0.00 H new ATOM 205 N SER A 27 14.022 1.843 -15.436 1.00 0.00 N ATOM 206 CA SER A 27 14.757 1.276 -16.554 1.00 0.00 C ATOM 207 C SER A 27 15.154 2.382 -17.533 1.00 0.00 C ATOM 208 O SER A 27 16.138 2.250 -18.259 1.00 0.00 O ATOM 209 CB SER A 27 13.932 0.205 -17.269 1.00 0.00 C ATOM 210 OG SER A 27 13.475 -0.804 -16.373 1.00 0.00 O ATOM 0 H SER A 27 13.055 1.527 -15.358 1.00 0.00 H new ATOM 0 HA SER A 27 15.659 0.802 -16.166 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.076 0.672 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.534 -0.253 -18.054 1.00 0.00 H new ATOM 0 HG SER A 27 13.181 -0.389 -15.535 1.00 0.00 H new ATOM 216 N GLY A 28 14.368 3.449 -17.522 1.00 0.00 N ATOM 217 CA GLY A 28 14.625 4.577 -18.401 1.00 0.00 C ATOM 218 C GLY A 28 13.789 4.479 -19.678 1.00 0.00 C ATOM 219 O GLY A 28 13.972 5.266 -20.606 1.00 0.00 O ATOM 0 H GLY A 28 13.553 3.556 -16.918 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.394 5.507 -17.882 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.684 4.609 -18.657 1.00 0.00 H new ATOM 223 N VAL A 29 12.889 3.507 -19.685 1.00 0.00 N ATOM 224 CA VAL A 29 12.025 3.296 -20.834 1.00 0.00 C ATOM 225 C VAL A 29 10.970 4.403 -20.883 1.00 0.00 C ATOM 226 O VAL A 29 10.723 4.984 -21.939 1.00 0.00 O ATOM 227 CB VAL A 29 11.416 1.893 -20.780 1.00 0.00 C ATOM 228 CG1 VAL A 29 10.120 1.826 -21.590 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.418 0.842 -21.260 1.00 0.00 C ATOM 0 H VAL A 29 12.739 2.857 -18.913 1.00 0.00 H new ATOM 0 HA VAL A 29 12.599 3.352 -21.759 1.00 0.00 H new ATOM 0 HB VAL A 29 11.172 1.673 -19.741 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.708 0.818 -21.535 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.399 2.535 -21.183 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.328 2.077 -22.630 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.960 -0.146 -21.212 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.707 1.058 -22.289 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.302 0.864 -20.622 1.00 0.00 H new ATOM 239 N LEU A 30 10.376 4.663 -19.727 1.00 0.00 N ATOM 240 CA LEU A 30 9.354 5.690 -19.625 1.00 0.00 C ATOM 241 C LEU A 30 10.000 7.004 -19.180 1.00 0.00 C ATOM 242 O LEU A 30 11.203 7.055 -18.930 1.00 0.00 O ATOM 243 CB LEU A 30 8.216 5.225 -18.715 1.00 0.00 C ATOM 244 CG LEU A 30 7.079 4.463 -19.398 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.182 3.775 -18.367 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.283 5.383 -20.326 1.00 0.00 C ATOM 0 H LEU A 30 10.583 4.180 -18.853 1.00 0.00 H new ATOM 0 HA LEU A 30 8.898 5.872 -20.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.637 4.589 -17.937 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.794 6.099 -18.219 1.00 0.00 H new ATOM 0 HG LEU A 30 7.517 3.680 -20.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.382 3.241 -18.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.773 3.070 -17.783 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.751 4.524 -17.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.481 4.817 -20.799 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.856 6.203 -19.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.944 5.786 -21.093 1.00 0.00 H new ATOM 258 N ALA A 31 9.172 8.035 -19.095 1.00 0.00 N ATOM 259 CA ALA A 31 9.647 9.345 -18.685 1.00 0.00 C ATOM 260 C ALA A 31 9.158 9.639 -17.265 1.00 0.00 C ATOM 261 O ALA A 31 7.975 9.478 -16.967 1.00 0.00 O ATOM 262 CB ALA A 31 9.178 10.397 -19.692 1.00 0.00 C ATOM 0 H ALA A 31 8.175 7.989 -19.303 1.00 0.00 H new ATOM 0 HA ALA A 31 10.737 9.370 -18.671 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.535 11.380 -19.384 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.576 10.159 -20.678 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.089 10.402 -19.732 1.00 0.00 H new ATOM 268 N ARG A 32 10.092 10.063 -16.427 1.00 0.00 N ATOM 269 CA ARG A 32 9.771 10.381 -15.046 1.00 0.00 C ATOM 270 C ARG A 32 10.223 11.803 -14.710 1.00 0.00 C ATOM 271 O ARG A 32 11.166 12.317 -15.309 1.00 0.00 O ATOM 272 CB ARG A 32 10.444 9.398 -14.085 1.00 0.00 C ATOM 273 CG ARG A 32 11.961 9.591 -14.077 1.00 0.00 C ATOM 274 CD ARG A 32 12.594 9.018 -15.347 1.00 0.00 C ATOM 275 NE ARG A 32 12.872 10.107 -16.309 1.00 0.00 N ATOM 276 CZ ARG A 32 13.431 9.920 -17.513 1.00 0.00 C ATOM 277 NH1 ARG A 32 13.773 8.687 -17.909 1.00 0.00 N ATOM 278 NH2 ARG A 32 13.646 10.968 -18.321 1.00 0.00 N ATOM 0 H ARG A 32 11.072 10.194 -16.678 1.00 0.00 H new ATOM 0 HA ARG A 32 8.690 10.303 -14.930 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.050 9.541 -13.079 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.205 8.376 -14.379 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.196 10.652 -13.997 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.389 9.103 -13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.518 8.496 -15.099 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.925 8.285 -15.798 1.00 0.00 H new ATOM 0 HE ARG A 32 12.623 11.059 -16.040 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.608 7.890 -17.294 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.198 8.545 -18.825 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.384 11.907 -18.019 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.071 10.827 -19.237 1.00 0.00 H new ATOM 292 N CYS A 33 9.529 12.399 -13.752 1.00 0.00 N ATOM 293 CA CYS A 33 9.847 13.752 -13.328 1.00 0.00 C ATOM 294 C CYS A 33 10.868 13.673 -12.192 1.00 0.00 C ATOM 295 O CYS A 33 10.737 12.844 -11.292 1.00 0.00 O ATOM 296 CB CYS A 33 8.592 14.525 -12.916 1.00 0.00 C ATOM 297 SG CYS A 33 8.020 15.575 -14.301 1.00 0.00 S ATOM 0 H CYS A 33 8.747 11.970 -13.257 1.00 0.00 H new ATOM 0 HA CYS A 33 10.277 14.306 -14.163 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.805 13.829 -12.628 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.806 15.143 -12.044 1.00 0.00 H new ATOM 0 HG CYS A 33 6.846 16.059 -14.023 1.00 0.00 H new ATOM 302 N ARG A 34 11.862 14.545 -12.270 1.00 0.00 N ATOM 303 CA ARG A 34 12.905 14.583 -11.259 1.00 0.00 C ATOM 304 C ARG A 34 12.379 15.237 -9.979 1.00 0.00 C ATOM 305 O ARG A 34 13.104 15.346 -8.991 1.00 0.00 O ATOM 306 CB ARG A 34 14.125 15.361 -11.756 1.00 0.00 C ATOM 307 CG ARG A 34 15.230 15.382 -10.698 1.00 0.00 C ATOM 308 CD ARG A 34 15.419 13.998 -10.074 1.00 0.00 C ATOM 309 NE ARG A 34 16.795 13.863 -9.547 1.00 0.00 N ATOM 310 CZ ARG A 34 17.895 13.858 -10.312 1.00 0.00 C ATOM 311 NH1 ARG A 34 17.787 13.980 -11.642 1.00 0.00 N ATOM 312 NH2 ARG A 34 19.104 13.732 -9.746 1.00 0.00 N ATOM 0 H ARG A 34 11.967 15.231 -13.018 1.00 0.00 H new ATOM 0 HA ARG A 34 13.203 13.555 -11.051 1.00 0.00 H new ATOM 0 HB2 ARG A 34 14.502 14.906 -12.672 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.834 16.382 -12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.165 15.711 -11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.980 16.104 -9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.697 13.851 -9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.229 13.225 -10.819 1.00 0.00 H new ATOM 0 HE ARG A 34 16.914 13.768 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.867 14.077 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.625 13.976 -12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.186 13.640 -8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 34 19.942 13.728 -10.328 1.00 0.00 H new ATOM 326 N ILE A 35 11.123 15.654 -10.038 1.00 0.00 N ATOM 327 CA ILE A 35 10.492 16.293 -8.896 1.00 0.00 C ATOM 328 C ILE A 35 9.556 15.296 -8.212 1.00 0.00 C ATOM 329 O ILE A 35 9.239 15.445 -7.033 1.00 0.00 O ATOM 330 CB ILE A 35 9.803 17.591 -9.322 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.505 18.477 -8.110 1.00 0.00 C ATOM 332 CG2 ILE A 35 8.545 17.301 -10.143 1.00 0.00 C ATOM 333 CD1 ILE A 35 8.136 18.146 -7.513 1.00 0.00 C ATOM 0 H ILE A 35 10.525 15.562 -10.859 1.00 0.00 H new ATOM 0 HA ILE A 35 11.241 16.584 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 35 10.486 18.145 -9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.278 18.338 -7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.533 19.526 -8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.075 18.241 -10.433 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.816 16.740 -11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.847 16.716 -9.545 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.949 18.789 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.363 18.309 -8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.120 17.103 -7.196 1.00 0.00 H new ATOM 345 N HIS A 36 9.139 14.300 -8.981 1.00 0.00 N ATOM 346 CA HIS A 36 8.245 13.279 -8.463 1.00 0.00 C ATOM 347 C HIS A 36 8.278 12.055 -9.381 1.00 0.00 C ATOM 348 O HIS A 36 7.820 12.118 -10.521 1.00 0.00 O ATOM 349 CB HIS A 36 6.835 13.838 -8.270 1.00 0.00 C ATOM 350 CG HIS A 36 6.422 14.841 -9.321 1.00 0.00 C ATOM 351 ND1 HIS A 36 6.270 14.706 -10.670 1.00 0.00 N flip ATOM 352 CD2 HIS A 36 6.116 16.157 -9.022 1.00 0.00 C flip ATOM 353 CE1 HIS A 36 5.890 15.876 -11.168 1.00 0.00 C flip ATOM 354 NE2 HIS A 36 5.794 16.777 -10.148 1.00 0.00 N flip ATOM 0 H HIS A 36 9.404 14.179 -9.958 1.00 0.00 H new ATOM 0 HA HIS A 36 8.584 12.960 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.124 13.012 -8.272 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.773 14.309 -7.289 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.136 16.603 -8.039 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.690 16.081 -12.209 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.522 17.756 -10.237 1.00 0.00 H new ATOM 362 N ASN A 37 8.823 10.971 -8.851 1.00 0.00 N ATOM 363 CA ASN A 37 8.921 9.735 -9.608 1.00 0.00 C ATOM 364 C ASN A 37 7.559 9.038 -9.617 1.00 0.00 C ATOM 365 O ASN A 37 7.384 8.017 -10.280 1.00 0.00 O ATOM 366 CB ASN A 37 9.936 8.781 -8.977 1.00 0.00 C ATOM 367 CG ASN A 37 9.293 7.957 -7.859 1.00 0.00 C ATOM 368 OD1 ASN A 37 8.683 6.853 -8.282 1.00 0.00 O flip ATOM 369 ND2 ASN A 37 9.347 8.301 -6.690 1.00 0.00 N flip ATOM 0 H ASN A 37 9.202 10.923 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 37 9.241 9.984 -10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.337 8.114 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.776 9.350 -8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.832 9.161 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.907 7.729 -5.969 1.00 0.00 H new ATOM 376 N ASP A 38 6.628 9.618 -8.873 1.00 0.00 N ATOM 377 CA ASP A 38 5.287 9.065 -8.786 1.00 0.00 C ATOM 378 C ASP A 38 4.506 9.433 -10.049 1.00 0.00 C ATOM 379 O ASP A 38 3.330 9.096 -10.177 1.00 0.00 O ATOM 380 CB ASP A 38 4.534 9.633 -7.582 1.00 0.00 C ATOM 381 CG ASP A 38 5.319 9.634 -6.269 1.00 0.00 C ATOM 382 OD1 ASP A 38 6.341 8.943 -6.136 1.00 0.00 O ATOM 383 OD2 ASP A 38 4.836 10.393 -5.345 1.00 0.00 O ATOM 0 H ASP A 38 6.776 10.465 -8.325 1.00 0.00 H new ATOM 0 HA ASP A 38 5.374 7.984 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.235 10.656 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.619 9.057 -7.440 1.00 0.00 H new ATOM 389 N VAL A 39 5.191 10.120 -10.951 1.00 0.00 N ATOM 390 CA VAL A 39 4.577 10.538 -12.200 1.00 0.00 C ATOM 391 C VAL A 39 5.157 9.713 -13.350 1.00 0.00 C ATOM 392 O VAL A 39 6.374 9.645 -13.518 1.00 0.00 O ATOM 393 CB VAL A 39 4.758 12.045 -12.394 1.00 0.00 C ATOM 394 CG1 VAL A 39 5.972 12.341 -13.277 1.00 0.00 C ATOM 395 CG2 VAL A 39 3.491 12.679 -12.973 1.00 0.00 C ATOM 0 H VAL A 39 6.166 10.398 -10.842 1.00 0.00 H new ATOM 0 HA VAL A 39 3.503 10.354 -12.178 1.00 0.00 H new ATOM 0 HB VAL A 39 4.938 12.490 -11.416 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.079 13.419 -13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.870 11.938 -12.808 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.834 11.877 -14.253 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.646 13.750 -13.101 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.267 12.227 -13.939 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.657 12.512 -12.292 1.00 0.00 H new ATOM 405 N ILE A 40 4.259 9.106 -14.112 1.00 0.00 N ATOM 406 CA ILE A 40 4.667 8.288 -15.242 1.00 0.00 C ATOM 407 C ILE A 40 4.196 8.948 -16.540 1.00 0.00 C ATOM 408 O ILE A 40 3.023 9.289 -16.677 1.00 0.00 O ATOM 409 CB ILE A 40 4.172 6.850 -15.069 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.008 6.160 -16.425 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.884 6.809 -14.245 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.490 4.731 -16.253 1.00 0.00 C ATOM 0 H ILE A 40 3.251 9.164 -13.969 1.00 0.00 H new ATOM 0 HA ILE A 40 5.754 8.223 -15.293 1.00 0.00 H new ATOM 0 HB ILE A 40 4.927 6.293 -14.514 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.316 6.729 -17.046 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.965 6.144 -16.947 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.554 5.776 -14.137 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.069 7.236 -13.259 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.110 7.386 -14.751 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.382 4.263 -17.231 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.196 4.158 -15.652 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.522 4.753 -15.753 1.00 0.00 H new ATOM 424 N LEU A 41 5.137 9.108 -17.460 1.00 0.00 N ATOM 425 CA LEU A 41 4.833 9.721 -18.742 1.00 0.00 C ATOM 426 C LEU A 41 5.254 8.774 -19.867 1.00 0.00 C ATOM 427 O LEU A 41 6.247 8.058 -19.743 1.00 0.00 O ATOM 428 CB LEU A 41 5.469 11.109 -18.836 1.00 0.00 C ATOM 429 CG LEU A 41 5.478 11.932 -17.546 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.484 13.081 -17.635 1.00 0.00 C ATOM 431 CD2 LEU A 41 4.072 12.427 -17.202 1.00 0.00 C ATOM 0 H LEU A 41 6.110 8.824 -17.343 1.00 0.00 H new ATOM 0 HA LEU A 41 3.760 9.880 -18.844 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.498 10.993 -19.177 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.942 11.677 -19.602 1.00 0.00 H new ATOM 0 HG LEU A 41 5.800 11.285 -16.730 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.470 13.650 -16.705 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.483 12.678 -17.799 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.216 13.735 -18.465 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.106 13.009 -16.281 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.698 13.052 -18.013 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.408 11.573 -17.067 1.00 0.00 H new ATOM 443 N ASP A 42 4.478 8.800 -20.941 1.00 0.00 N ATOM 444 CA ASP A 42 4.757 7.953 -22.087 1.00 0.00 C ATOM 445 C ASP A 42 5.721 8.678 -23.029 1.00 0.00 C ATOM 446 O ASP A 42 5.386 9.726 -23.578 1.00 0.00 O ATOM 447 CB ASP A 42 3.479 7.641 -22.867 1.00 0.00 C ATOM 448 CG ASP A 42 3.596 6.490 -23.868 1.00 0.00 C ATOM 449 OD1 ASP A 42 4.317 5.509 -23.632 1.00 0.00 O ATOM 450 OD2 ASP A 42 2.897 6.629 -24.943 1.00 0.00 O ATOM 0 H ASP A 42 3.656 9.395 -21.041 1.00 0.00 H new ATOM 0 HA ASP A 42 5.191 7.023 -21.720 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.686 7.405 -22.157 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.170 8.539 -23.403 1.00 0.00 H new ATOM 456 N SER A 43 6.898 8.091 -23.187 1.00 0.00 N ATOM 457 CA SER A 43 7.912 8.668 -24.053 1.00 0.00 C ATOM 458 C SER A 43 7.666 8.244 -25.502 1.00 0.00 C ATOM 459 O SER A 43 8.010 8.971 -26.433 1.00 0.00 O ATOM 460 CB SER A 43 9.316 8.254 -23.609 1.00 0.00 C ATOM 461 OG SER A 43 10.330 8.946 -24.332 1.00 0.00 O ATOM 0 H SER A 43 7.172 7.221 -22.730 1.00 0.00 H new ATOM 0 HA SER A 43 7.844 9.754 -23.983 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.432 8.451 -22.543 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.439 7.180 -23.750 1.00 0.00 H new ATOM 0 HG SER A 43 11.212 8.655 -24.018 1.00 0.00 H new ATOM 467 N GLY A 44 7.073 7.068 -25.648 1.00 0.00 N ATOM 468 CA GLY A 44 6.777 6.538 -26.968 1.00 0.00 C ATOM 469 C GLY A 44 7.895 5.611 -27.450 1.00 0.00 C ATOM 470 O GLY A 44 7.779 4.989 -28.505 1.00 0.00 O ATOM 0 H GLY A 44 6.790 6.467 -24.874 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.834 5.993 -26.942 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.651 7.359 -27.674 1.00 0.00 H new ATOM 474 N ASN A 45 8.952 5.548 -26.654 1.00 0.00 N ATOM 475 CA ASN A 45 10.090 4.708 -26.986 1.00 0.00 C ATOM 476 C ASN A 45 9.669 3.238 -26.923 1.00 0.00 C ATOM 477 O ASN A 45 8.619 2.913 -26.371 1.00 0.00 O ATOM 478 CB ASN A 45 11.235 4.914 -25.993 1.00 0.00 C ATOM 479 CG ASN A 45 12.089 6.123 -26.383 1.00 0.00 C ATOM 480 OD1 ASN A 45 11.635 7.053 -27.029 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.347 6.057 -25.957 1.00 0.00 N ATOM 0 H ASN A 45 9.044 6.065 -25.780 1.00 0.00 H new ATOM 0 HA ASN A 45 10.427 4.978 -27.987 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.831 5.058 -24.991 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.858 4.020 -25.960 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.997 6.815 -26.167 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.662 5.249 -25.420 1.00 0.00 H new ATOM 488 N ASP A 46 10.509 2.390 -27.497 1.00 0.00 N ATOM 489 CA ASP A 46 10.238 0.963 -27.513 1.00 0.00 C ATOM 490 C ASP A 46 9.946 0.487 -26.088 1.00 0.00 C ATOM 491 O ASP A 46 10.863 0.324 -25.285 1.00 0.00 O ATOM 492 CB ASP A 46 11.443 0.178 -28.036 1.00 0.00 C ATOM 493 CG ASP A 46 11.700 0.314 -29.538 1.00 0.00 C ATOM 494 OD1 ASP A 46 10.822 0.027 -30.365 1.00 0.00 O ATOM 495 OD2 ASP A 46 12.876 0.740 -29.853 1.00 0.00 O ATOM 0 H ASP A 46 11.378 2.664 -27.955 1.00 0.00 H new ATOM 0 HA ASP A 46 9.384 0.790 -28.168 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.333 0.507 -27.499 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.300 -0.877 -27.801 1.00 0.00 H new ATOM 501 N ALA A 47 8.666 0.279 -25.818 1.00 0.00 N ATOM 502 CA ALA A 47 8.242 -0.174 -24.504 1.00 0.00 C ATOM 503 C ALA A 47 8.666 -1.632 -24.311 1.00 0.00 C ATOM 504 O ALA A 47 8.682 -2.134 -23.188 1.00 0.00 O ATOM 505 CB ALA A 47 6.731 0.017 -24.361 1.00 0.00 C ATOM 0 H ALA A 47 7.908 0.416 -26.487 1.00 0.00 H new ATOM 0 HA ALA A 47 8.721 0.415 -23.722 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.413 -0.323 -23.375 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.485 1.072 -24.478 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.217 -0.562 -25.128 1.00 0.00 H new ATOM 511 N SER A 48 9.000 -2.270 -25.423 1.00 0.00 N ATOM 512 CA SER A 48 9.423 -3.659 -25.390 1.00 0.00 C ATOM 513 C SER A 48 10.561 -3.836 -24.382 1.00 0.00 C ATOM 514 O SER A 48 10.686 -4.891 -23.762 1.00 0.00 O ATOM 515 CB SER A 48 9.864 -4.134 -26.777 1.00 0.00 C ATOM 516 OG SER A 48 10.909 -3.326 -27.310 1.00 0.00 O ATOM 0 H SER A 48 8.986 -1.850 -26.353 1.00 0.00 H new ATOM 0 HA SER A 48 8.574 -4.268 -25.080 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.201 -5.169 -26.716 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.010 -4.116 -27.455 1.00 0.00 H new ATOM 0 HG SER A 48 11.164 -3.662 -28.195 1.00 0.00 H new ATOM 522 N SER A 49 11.361 -2.788 -24.251 1.00 0.00 N ATOM 523 CA SER A 49 12.483 -2.815 -23.329 1.00 0.00 C ATOM 524 C SER A 49 11.978 -2.978 -21.894 1.00 0.00 C ATOM 525 O SER A 49 12.400 -3.890 -21.184 1.00 0.00 O ATOM 526 CB SER A 49 13.328 -1.545 -23.453 1.00 0.00 C ATOM 527 OG SER A 49 14.431 -1.723 -24.338 1.00 0.00 O ATOM 0 H SER A 49 11.254 -1.915 -24.768 1.00 0.00 H new ATOM 0 HA SER A 49 13.114 -3.666 -23.584 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.703 -0.727 -23.812 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.696 -1.256 -22.468 1.00 0.00 H new ATOM 0 HG SER A 49 14.945 -0.890 -24.392 1.00 0.00 H new ATOM 533 N ALA A 50 11.083 -2.081 -21.510 1.00 0.00 N ATOM 534 CA ALA A 50 10.516 -2.113 -20.173 1.00 0.00 C ATOM 535 C ALA A 50 9.870 -3.479 -19.931 1.00 0.00 C ATOM 536 O ALA A 50 9.954 -4.023 -18.831 1.00 0.00 O ATOM 537 CB ALA A 50 9.522 -0.962 -20.011 1.00 0.00 C ATOM 0 H ALA A 50 10.736 -1.326 -22.102 1.00 0.00 H new ATOM 0 HA ALA A 50 11.295 -1.978 -19.423 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.097 -0.987 -19.008 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.036 -0.013 -20.164 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.723 -1.065 -20.746 1.00 0.00 H new ATOM 543 N TYR A 51 9.240 -3.994 -20.976 1.00 0.00 N ATOM 544 CA TYR A 51 8.581 -5.286 -20.891 1.00 0.00 C ATOM 545 C TYR A 51 9.595 -6.404 -20.642 1.00 0.00 C ATOM 546 O TYR A 51 9.389 -7.252 -19.775 1.00 0.00 O ATOM 547 CB TYR A 51 7.915 -5.510 -22.251 1.00 0.00 C ATOM 548 CG TYR A 51 6.987 -4.374 -22.684 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.652 -3.377 -21.790 1.00 0.00 C ATOM 550 CD2 TYR A 51 6.484 -4.346 -23.969 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.778 -2.308 -22.198 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.610 -3.277 -24.377 1.00 0.00 C ATOM 553 CZ TYR A 51 5.300 -2.311 -23.471 1.00 0.00 C ATOM 554 OH TYR A 51 4.474 -1.301 -23.856 1.00 0.00 O ATOM 0 H TYR A 51 9.172 -3.540 -21.887 1.00 0.00 H new ATOM 0 HA TYR A 51 7.866 -5.299 -20.068 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.690 -5.640 -23.006 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.345 -6.438 -22.216 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.045 -3.399 -20.784 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.746 -5.126 -24.669 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.508 -1.522 -21.509 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.210 -3.243 -25.380 1.00 0.00 H new ATOM 0 HH TYR A 51 4.275 -1.387 -24.812 1.00 0.00 H new ATOM 564 N LYS A 52 10.668 -6.370 -21.419 1.00 0.00 N ATOM 565 CA LYS A 52 11.714 -7.370 -21.294 1.00 0.00 C ATOM 566 C LYS A 52 12.276 -7.339 -19.871 1.00 0.00 C ATOM 567 O LYS A 52 12.360 -8.373 -19.210 1.00 0.00 O ATOM 568 CB LYS A 52 12.776 -7.173 -22.378 1.00 0.00 C ATOM 569 CG LYS A 52 12.428 -7.971 -23.637 1.00 0.00 C ATOM 570 CD LYS A 52 12.427 -9.474 -23.350 1.00 0.00 C ATOM 571 CE LYS A 52 12.873 -10.267 -24.581 1.00 0.00 C ATOM 572 NZ LYS A 52 12.712 -11.719 -24.348 1.00 0.00 N ATOM 0 H LYS A 52 10.835 -5.665 -22.137 1.00 0.00 H new ATOM 0 HA LYS A 52 11.307 -8.368 -21.455 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.857 -6.114 -22.625 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.749 -7.488 -22.001 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.448 -7.667 -24.006 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.148 -7.748 -24.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.092 -9.689 -22.514 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.428 -9.790 -23.051 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.286 -9.965 -25.448 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.915 -10.042 -24.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.019 -12.242 -25.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.291 -12.006 -23.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.712 -11.931 -24.154 1.00 0.00 H new ATOM 586 N LEU A 53 12.645 -6.142 -19.440 1.00 0.00 N ATOM 587 CA LEU A 53 13.196 -5.962 -18.108 1.00 0.00 C ATOM 588 C LEU A 53 12.119 -6.282 -17.069 1.00 0.00 C ATOM 589 O LEU A 53 12.431 -6.719 -15.962 1.00 0.00 O ATOM 590 CB LEU A 53 13.796 -4.563 -17.960 1.00 0.00 C ATOM 591 CG LEU A 53 12.872 -3.396 -18.312 1.00 0.00 C ATOM 592 CD1 LEU A 53 12.129 -2.892 -17.073 1.00 0.00 C ATOM 593 CD2 LEU A 53 13.645 -2.276 -19.011 1.00 0.00 C ATOM 0 H LEU A 53 12.573 -5.286 -19.990 1.00 0.00 H new ATOM 0 HA LEU A 53 14.020 -6.656 -17.940 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.128 -4.439 -16.929 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.683 -4.501 -18.591 1.00 0.00 H new ATOM 0 HG LEU A 53 12.120 -3.756 -19.015 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.479 -2.062 -17.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.528 -3.700 -16.656 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.850 -2.554 -16.329 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.965 -1.459 -19.250 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.433 -1.911 -18.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.089 -2.659 -19.930 1.00 0.00 H new ATOM 605 N GLY A 54 10.875 -6.052 -17.462 1.00 0.00 N ATOM 606 CA GLY A 54 9.751 -6.311 -16.578 1.00 0.00 C ATOM 607 C GLY A 54 9.606 -7.808 -16.299 1.00 0.00 C ATOM 608 O GLY A 54 9.499 -8.221 -15.145 1.00 0.00 O ATOM 0 H GLY A 54 10.620 -5.689 -18.381 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.891 -5.775 -15.640 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.834 -5.931 -17.029 1.00 0.00 H new ATOM 612 N THR A 55 9.606 -8.581 -17.376 1.00 0.00 N ATOM 613 CA THR A 55 9.475 -10.023 -17.261 1.00 0.00 C ATOM 614 C THR A 55 10.695 -10.615 -16.551 1.00 0.00 C ATOM 615 O THR A 55 10.574 -11.591 -15.813 1.00 0.00 O ATOM 616 CB THR A 55 9.255 -10.591 -18.665 1.00 0.00 C ATOM 617 OG1 THR A 55 9.311 -12.003 -18.481 1.00 0.00 O ATOM 618 CG2 THR A 55 10.423 -10.291 -19.607 1.00 0.00 C ATOM 0 H THR A 55 9.695 -8.235 -18.332 1.00 0.00 H new ATOM 0 HA THR A 55 8.617 -10.294 -16.646 1.00 0.00 H new ATOM 0 HB THR A 55 8.336 -10.180 -19.083 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.986 -12.385 -19.081 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.216 -10.716 -20.589 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.550 -9.212 -19.697 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.336 -10.731 -19.206 1.00 0.00 H new ATOM 626 N TYR A 56 11.841 -9.998 -16.799 1.00 0.00 N ATOM 627 CA TYR A 56 13.081 -10.451 -16.192 1.00 0.00 C ATOM 628 C TYR A 56 13.016 -10.344 -14.667 1.00 0.00 C ATOM 629 O TYR A 56 13.292 -11.313 -13.961 1.00 0.00 O ATOM 630 CB TYR A 56 14.172 -9.512 -16.711 1.00 0.00 C ATOM 631 CG TYR A 56 15.452 -9.522 -15.873 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.395 -10.510 -16.066 1.00 0.00 C ATOM 633 CD2 TYR A 56 15.662 -8.542 -14.924 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.600 -10.519 -15.277 1.00 0.00 C ATOM 635 CE2 TYR A 56 16.867 -8.551 -14.135 1.00 0.00 C ATOM 636 CZ TYR A 56 17.776 -9.539 -14.350 1.00 0.00 C ATOM 637 OH TYR A 56 18.914 -9.548 -13.605 1.00 0.00 O ATOM 0 H TYR A 56 11.937 -9.188 -17.412 1.00 0.00 H new ATOM 0 HA TYR A 56 13.273 -11.494 -16.443 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.419 -9.790 -17.736 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.778 -8.496 -16.742 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.230 -11.277 -16.809 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.923 -7.769 -14.773 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.347 -11.286 -15.418 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.044 -7.790 -13.389 1.00 0.00 H new ATOM 0 HH TYR A 56 18.905 -8.789 -12.985 1.00 0.00 H new ATOM 647 N LEU A 57 12.650 -9.158 -14.204 1.00 0.00 N ATOM 648 CA LEU A 57 12.546 -8.912 -12.776 1.00 0.00 C ATOM 649 C LEU A 57 11.359 -9.697 -12.213 1.00 0.00 C ATOM 650 O LEU A 57 11.493 -10.395 -11.209 1.00 0.00 O ATOM 651 CB LEU A 57 12.478 -7.410 -12.494 1.00 0.00 C ATOM 652 CG LEU A 57 12.818 -6.979 -11.066 1.00 0.00 C ATOM 653 CD1 LEU A 57 14.280 -6.541 -10.958 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.857 -5.893 -10.578 1.00 0.00 C ATOM 0 H LEU A 57 12.422 -8.357 -14.793 1.00 0.00 H new ATOM 0 HA LEU A 57 13.439 -9.269 -12.262 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.158 -6.901 -13.177 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.472 -7.062 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 57 12.691 -7.840 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.495 -6.240 -9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.930 -7.371 -11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.458 -5.700 -11.628 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.121 -5.604 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.928 -5.024 -11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.837 -6.276 -10.594 1.00 0.00 H new ATOM 666 N TYR A 58 10.226 -9.557 -12.884 1.00 0.00 N ATOM 667 CA TYR A 58 9.017 -10.244 -12.463 1.00 0.00 C ATOM 668 C TYR A 58 9.314 -11.699 -12.093 1.00 0.00 C ATOM 669 O TYR A 58 8.939 -12.157 -11.015 1.00 0.00 O ATOM 670 CB TYR A 58 8.076 -10.219 -13.669 1.00 0.00 C ATOM 671 CG TYR A 58 7.199 -8.967 -13.748 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.619 -8.458 -12.605 1.00 0.00 C ATOM 673 CD2 TYR A 58 6.988 -8.348 -14.964 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.794 -7.280 -12.679 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.163 -7.171 -15.038 1.00 0.00 C ATOM 676 CZ TYR A 58 5.606 -6.695 -13.892 1.00 0.00 C ATOM 677 OH TYR A 58 4.827 -5.582 -13.963 1.00 0.00 O ATOM 0 H TYR A 58 10.119 -8.978 -13.717 1.00 0.00 H new ATOM 0 HA TYR A 58 8.586 -9.760 -11.586 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.669 -10.293 -14.581 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.433 -11.099 -13.634 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.784 -8.943 -11.654 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.442 -8.747 -15.859 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.335 -6.871 -11.791 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.990 -6.677 -15.983 1.00 0.00 H new ATOM 0 HH TYR A 58 5.378 -4.787 -13.807 1.00 0.00 H new ATOM 687 N GLN A 59 9.983 -12.384 -13.008 1.00 0.00 N ATOM 688 CA GLN A 59 10.335 -13.777 -12.792 1.00 0.00 C ATOM 689 C GLN A 59 11.626 -14.120 -13.537 1.00 0.00 C ATOM 690 O GLN A 59 11.759 -13.828 -14.724 1.00 0.00 O ATOM 691 CB GLN A 59 9.193 -14.703 -13.217 1.00 0.00 C ATOM 692 CG GLN A 59 9.326 -16.076 -12.556 1.00 0.00 C ATOM 693 CD GLN A 59 10.567 -16.811 -13.063 1.00 0.00 C ATOM 694 OE1 GLN A 59 11.036 -16.602 -14.170 1.00 0.00 O ATOM 695 NE2 GLN A 59 11.073 -17.683 -12.195 1.00 0.00 N ATOM 0 H GLN A 59 10.291 -12.000 -13.901 1.00 0.00 H new ATOM 0 HA GLN A 59 10.504 -13.928 -11.726 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.237 -14.256 -12.945 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.196 -14.816 -14.301 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.386 -15.958 -11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.437 -16.671 -12.763 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.632 -17.810 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.902 -18.224 -12.440 1.00 0.00 H new ATOM 856 N LEU A 70 4.253 -14.741 -20.406 1.00 0.00 N ATOM 857 CA LEU A 70 4.881 -13.463 -20.692 1.00 0.00 C ATOM 858 C LEU A 70 3.798 -12.417 -20.964 1.00 0.00 C ATOM 859 O LEU A 70 4.049 -11.217 -20.860 1.00 0.00 O ATOM 860 CB LEU A 70 5.895 -13.607 -21.828 1.00 0.00 C ATOM 861 CG LEU A 70 7.033 -12.584 -21.845 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.497 -11.171 -22.085 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.868 -12.671 -20.566 1.00 0.00 C ATOM 0 HA LEU A 70 5.450 -13.117 -19.829 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.331 -14.605 -21.775 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.361 -13.542 -22.776 1.00 0.00 H new ATOM 0 HG LEU A 70 7.694 -12.823 -22.678 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.326 -10.464 -22.092 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.981 -11.136 -23.045 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.801 -10.906 -21.289 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.670 -11.933 -20.604 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.233 -12.472 -19.703 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.297 -13.669 -20.479 1.00 0.00 H new ATOM 875 N THR A 71 2.617 -12.909 -21.306 1.00 0.00 N ATOM 876 CA THR A 71 1.494 -12.032 -21.593 1.00 0.00 C ATOM 877 C THR A 71 1.073 -11.275 -20.332 1.00 0.00 C ATOM 878 O THR A 71 0.720 -10.099 -20.398 1.00 0.00 O ATOM 879 CB THR A 71 0.373 -12.881 -22.196 1.00 0.00 C ATOM 880 OG1 THR A 71 0.891 -13.295 -23.457 1.00 0.00 O ATOM 881 CG2 THR A 71 -0.861 -12.051 -22.554 1.00 0.00 C ATOM 0 H THR A 71 2.413 -13.905 -21.391 1.00 0.00 H new ATOM 0 HA THR A 71 1.766 -11.265 -22.318 1.00 0.00 H new ATOM 0 HB THR A 71 0.092 -13.664 -21.492 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.228 -13.853 -23.916 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.626 -12.701 -22.978 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.250 -11.571 -21.656 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.588 -11.289 -23.284 1.00 0.00 H new ATOM 889 N GLU A 72 1.124 -11.981 -19.212 1.00 0.00 N ATOM 890 CA GLU A 72 0.752 -11.391 -17.937 1.00 0.00 C ATOM 891 C GLU A 72 1.613 -10.159 -17.651 1.00 0.00 C ATOM 892 O GLU A 72 1.090 -9.091 -17.336 1.00 0.00 O ATOM 893 CB GLU A 72 0.865 -12.414 -16.805 1.00 0.00 C ATOM 894 CG GLU A 72 -0.394 -13.279 -16.720 1.00 0.00 C ATOM 895 CD GLU A 72 -0.547 -13.888 -15.324 1.00 0.00 C ATOM 896 OE1 GLU A 72 -1.346 -14.817 -15.137 1.00 0.00 O ATOM 897 OE2 GLU A 72 0.202 -13.362 -14.415 1.00 0.00 O ATOM 0 H GLU A 72 1.417 -12.957 -19.161 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.290 -11.076 -17.995 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.736 -13.048 -16.969 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.021 -11.898 -15.858 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.271 -12.676 -16.956 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.345 -14.074 -17.464 1.00 0.00 H new ATOM 905 N ALA A 73 2.919 -10.348 -17.772 1.00 0.00 N ATOM 906 CA ALA A 73 3.857 -9.265 -17.530 1.00 0.00 C ATOM 907 C ALA A 73 3.573 -8.123 -18.507 1.00 0.00 C ATOM 908 O ALA A 73 3.421 -6.973 -18.096 1.00 0.00 O ATOM 909 CB ALA A 73 5.288 -9.793 -17.651 1.00 0.00 C ATOM 0 H ALA A 73 3.349 -11.235 -18.034 1.00 0.00 H new ATOM 0 HA ALA A 73 3.738 -8.872 -16.520 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.992 -8.981 -17.470 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.448 -10.583 -16.917 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.445 -10.192 -18.653 1.00 0.00 H new ATOM 915 N ARG A 74 3.510 -8.478 -19.782 1.00 0.00 N ATOM 916 CA ARG A 74 3.247 -7.497 -20.821 1.00 0.00 C ATOM 917 C ARG A 74 1.960 -6.729 -20.512 1.00 0.00 C ATOM 918 O ARG A 74 1.841 -5.550 -20.844 1.00 0.00 O ATOM 919 CB ARG A 74 3.117 -8.166 -22.190 1.00 0.00 C ATOM 920 CG ARG A 74 2.745 -7.144 -23.267 1.00 0.00 C ATOM 921 CD ARG A 74 3.083 -7.670 -24.663 1.00 0.00 C ATOM 922 NE ARG A 74 1.983 -8.526 -25.161 1.00 0.00 N ATOM 923 CZ ARG A 74 0.788 -8.062 -25.553 1.00 0.00 C ATOM 924 NH1 ARG A 74 0.533 -6.747 -25.508 1.00 0.00 N ATOM 925 NH2 ARG A 74 -0.150 -8.912 -25.991 1.00 0.00 N ATOM 0 H ARG A 74 3.637 -9.432 -20.119 1.00 0.00 H new ATOM 0 HA ARG A 74 4.090 -6.806 -20.846 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.057 -8.650 -22.453 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.358 -8.947 -22.147 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.680 -6.919 -23.207 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.279 -6.211 -23.087 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.244 -6.836 -25.346 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.012 -8.239 -24.631 1.00 0.00 H new ATOM 0 HE ARG A 74 2.144 -9.532 -25.209 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.248 -6.100 -25.176 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.376 -6.393 -25.806 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.045 -9.913 -26.026 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.059 -8.559 -26.289 1.00 0.00 H new ATOM 939 N ASP A 75 1.029 -7.428 -19.879 1.00 0.00 N ATOM 940 CA ASP A 75 -0.244 -6.826 -19.522 1.00 0.00 C ATOM 941 C ASP A 75 -0.050 -5.912 -18.310 1.00 0.00 C ATOM 942 O ASP A 75 -0.745 -4.908 -18.167 1.00 0.00 O ATOM 943 CB ASP A 75 -1.273 -7.895 -19.147 1.00 0.00 C ATOM 944 CG ASP A 75 -2.328 -7.450 -18.133 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.460 -7.100 -18.501 1.00 0.00 O ATOM 946 OD2 ASP A 75 -1.945 -7.472 -16.902 1.00 0.00 O ATOM 0 H ASP A 75 1.131 -8.405 -19.604 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.604 -6.264 -20.384 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.779 -8.225 -20.054 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.746 -8.760 -18.744 1.00 0.00 H new ATOM 952 N ALA A 76 0.900 -6.294 -17.468 1.00 0.00 N ATOM 953 CA ALA A 76 1.195 -5.521 -16.273 1.00 0.00 C ATOM 954 C ALA A 76 1.775 -4.165 -16.679 1.00 0.00 C ATOM 955 O ALA A 76 1.314 -3.124 -16.214 1.00 0.00 O ATOM 956 CB ALA A 76 2.143 -6.315 -15.373 1.00 0.00 C ATOM 0 H ALA A 76 1.475 -7.128 -17.590 1.00 0.00 H new ATOM 0 HA ALA A 76 0.285 -5.333 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.364 -5.736 -14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.672 -7.256 -15.089 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.069 -6.520 -15.911 1.00 0.00 H new ATOM 962 N ILE A 77 2.780 -4.221 -17.542 1.00 0.00 N ATOM 963 CA ILE A 77 3.428 -3.010 -18.015 1.00 0.00 C ATOM 964 C ILE A 77 2.491 -2.277 -18.977 1.00 0.00 C ATOM 965 O ILE A 77 2.440 -1.048 -18.984 1.00 0.00 O ATOM 966 CB ILE A 77 4.796 -3.335 -18.617 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.433 -4.536 -17.916 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.710 -2.108 -18.597 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.247 -4.447 -16.400 1.00 0.00 C ATOM 0 H ILE A 77 3.161 -5.086 -17.925 1.00 0.00 H new ATOM 0 HA ILE A 77 3.624 -2.333 -17.183 1.00 0.00 H new ATOM 0 HB ILE A 77 4.652 -3.612 -19.661 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.986 -5.458 -18.287 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.496 -4.579 -18.154 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.676 -2.367 -19.031 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.255 -1.306 -19.178 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.851 -1.776 -17.568 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.709 -5.313 -15.925 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.716 -3.536 -16.029 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.183 -4.429 -16.164 1.00 0.00 H new ATOM 981 N LYS A 78 1.772 -3.062 -19.765 1.00 0.00 N ATOM 982 CA LYS A 78 0.840 -2.503 -20.729 1.00 0.00 C ATOM 983 C LYS A 78 -0.357 -1.905 -19.987 1.00 0.00 C ATOM 984 O LYS A 78 -0.982 -0.962 -20.468 1.00 0.00 O ATOM 985 CB LYS A 78 0.454 -3.554 -21.773 1.00 0.00 C ATOM 986 CG LYS A 78 -0.539 -2.981 -22.786 1.00 0.00 C ATOM 987 CD LYS A 78 0.183 -2.156 -23.854 1.00 0.00 C ATOM 988 CE LYS A 78 0.590 -3.032 -25.041 1.00 0.00 C ATOM 989 NZ LYS A 78 1.002 -2.192 -26.188 1.00 0.00 N ATOM 0 H LYS A 78 1.816 -4.081 -19.756 1.00 0.00 H new ATOM 0 HA LYS A 78 1.309 -1.691 -21.285 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.347 -3.902 -22.291 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.015 -4.420 -21.278 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.090 -3.793 -23.260 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.270 -2.357 -22.272 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.466 -1.351 -24.197 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.068 -1.689 -23.422 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.410 -3.689 -24.751 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.244 -3.671 -25.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.275 -2.802 -26.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.209 -1.582 -26.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.812 -1.600 -25.912 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.640 -2.479 -18.827 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.750 -2.014 -18.013 1.00 0.00 C ATOM 1005 C ASP A 79 -1.392 -0.662 -17.394 1.00 0.00 C ATOM 1006 O ASP A 79 -2.178 0.282 -17.457 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.046 -2.992 -16.874 1.00 0.00 C ATOM 1008 CG ASP A 79 -2.862 -2.411 -15.718 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -2.514 -2.583 -14.541 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -3.911 -1.748 -16.071 1.00 0.00 O ATOM 0 H ASP A 79 -0.120 -3.262 -18.431 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.627 -1.932 -18.655 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.581 -3.850 -17.282 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.100 -3.364 -16.480 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.205 -0.611 -16.808 1.00 0.00 N ATOM 1017 CA ALA A 80 0.267 0.610 -16.177 1.00 0.00 C ATOM 1018 C ALA A 80 0.459 1.689 -17.245 1.00 0.00 C ATOM 1019 O ALA A 80 -0.047 2.802 -17.106 1.00 0.00 O ATOM 1020 CB ALA A 80 1.555 0.321 -15.403 1.00 0.00 C ATOM 0 H ALA A 80 0.444 -1.396 -16.757 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.467 0.980 -15.461 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.909 1.237 -14.930 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.359 -0.430 -14.638 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.316 -0.050 -16.089 1.00 0.00 H new ATOM 1026 N TYR A 81 1.191 1.322 -18.287 1.00 0.00 N ATOM 1027 CA TYR A 81 1.456 2.245 -19.377 1.00 0.00 C ATOM 1028 C TYR A 81 0.152 2.716 -20.026 1.00 0.00 C ATOM 1029 O TYR A 81 0.037 3.873 -20.428 1.00 0.00 O ATOM 1030 CB TYR A 81 2.269 1.458 -20.407 1.00 0.00 C ATOM 1031 CG TYR A 81 3.761 1.366 -20.083 1.00 0.00 C ATOM 1032 CD1 TYR A 81 4.172 1.094 -18.794 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.697 1.555 -21.080 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.576 1.007 -18.489 1.00 0.00 C ATOM 1035 CE2 TYR A 81 6.101 1.468 -20.775 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.472 1.198 -19.494 1.00 0.00 C ATOM 1037 OH TYR A 81 7.798 1.116 -19.206 1.00 0.00 O ATOM 0 H TYR A 81 1.609 0.398 -18.399 1.00 0.00 H new ATOM 0 HA TYR A 81 1.983 3.127 -19.014 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.861 0.450 -20.483 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.148 1.925 -21.384 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.440 0.946 -18.014 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.376 1.768 -22.089 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.910 0.795 -17.484 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.843 1.614 -21.546 1.00 0.00 H new ATOM 0 HH TYR A 81 7.914 0.919 -18.253 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.797 1.795 -20.108 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.088 2.101 -20.700 1.00 0.00 C ATOM 1049 C GLU A 82 -2.908 2.986 -19.759 1.00 0.00 C ATOM 1050 O GLU A 82 -3.604 3.895 -20.206 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.848 0.821 -21.051 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.265 1.139 -21.532 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.029 -0.143 -21.871 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -4.900 -1.149 -21.157 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.781 -0.069 -22.916 1.00 0.00 O ATOM 0 H GLU A 82 -0.697 0.836 -19.774 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.919 2.649 -21.627 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.311 0.276 -21.827 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.894 0.170 -20.178 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.800 1.692 -20.760 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.219 1.782 -22.411 1.00 0.00 H new ATOM 1063 N SER A 83 -2.798 2.687 -18.473 1.00 0.00 N ATOM 1064 CA SER A 83 -3.520 3.443 -17.464 1.00 0.00 C ATOM 1065 C SER A 83 -3.088 4.911 -17.501 1.00 0.00 C ATOM 1066 O SER A 83 -3.920 5.809 -17.386 1.00 0.00 O ATOM 1067 CB SER A 83 -3.293 2.858 -16.069 1.00 0.00 C ATOM 1068 OG SER A 83 -4.023 3.564 -15.069 1.00 0.00 O ATOM 0 H SER A 83 -2.219 1.931 -18.107 1.00 0.00 H new ATOM 0 HA SER A 83 -4.585 3.378 -17.686 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.591 1.809 -16.063 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.230 2.889 -15.831 1.00 0.00 H new ATOM 0 HG SER A 83 -3.853 3.159 -14.193 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.788 5.108 -17.663 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.236 6.451 -17.716 1.00 0.00 C ATOM 1076 C TYR A 84 -1.099 6.929 -19.163 1.00 0.00 C ATOM 1077 O TYR A 84 -0.849 8.109 -19.409 1.00 0.00 O ATOM 1078 CB TYR A 84 0.156 6.359 -17.088 1.00 0.00 C ATOM 1079 CG TYR A 84 0.143 6.209 -15.565 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.231 7.274 -14.770 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.504 5.010 -14.987 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.244 7.133 -13.337 1.00 0.00 C ATOM 1083 CE2 TYR A 84 0.492 4.869 -13.554 1.00 0.00 C ATOM 1084 CZ TYR A 84 0.118 5.937 -12.800 1.00 0.00 C ATOM 1085 OH TYR A 84 0.106 5.804 -11.446 1.00 0.00 O ATOM 0 H TYR A 84 -1.101 4.360 -17.759 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.885 7.155 -17.194 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.684 5.510 -17.522 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.721 7.253 -17.350 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.514 8.213 -15.223 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.796 4.177 -15.609 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.534 7.958 -12.703 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.774 3.936 -13.089 1.00 0.00 H new ATOM 0 HH TYR A 84 0.386 4.897 -11.204 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.268 5.990 -20.082 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.166 6.302 -21.498 1.00 0.00 C ATOM 1097 C CYS A 85 -2.031 7.531 -21.783 1.00 0.00 C ATOM 1098 O CYS A 85 -3.109 7.682 -21.210 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.565 5.109 -22.369 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.036 5.685 -24.041 1.00 0.00 S ATOM 0 H CYS A 85 -1.475 5.013 -19.874 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.129 6.523 -21.751 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.736 4.405 -22.438 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.398 4.576 -21.911 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.371 4.664 -24.773 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.527 8.378 -22.668 1.00 0.00 N ATOM 1107 CA GLY A 86 -2.240 9.589 -23.035 1.00 0.00 C ATOM 1108 C GLY A 86 -1.558 10.827 -22.448 1.00 0.00 C ATOM 1109 O GLY A 86 -2.060 11.941 -22.588 1.00 0.00 O ATOM 0 H GLY A 86 -0.633 8.249 -23.142 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.284 9.674 -24.121 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.268 9.532 -22.678 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.426 10.589 -21.803 1.00 0.00 N ATOM 1114 CA ILE A 87 0.329 11.670 -21.193 1.00 0.00 C ATOM 1115 C ILE A 87 1.726 11.725 -21.815 1.00 0.00 C ATOM 1116 O ILE A 87 2.542 10.831 -21.596 1.00 0.00 O ATOM 1117 CB ILE A 87 0.340 11.525 -19.670 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.038 11.111 -19.150 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.845 12.804 -19.001 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -0.990 10.809 -17.651 1.00 0.00 C ATOM 0 H ILE A 87 -0.013 9.663 -21.689 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.149 12.629 -21.395 1.00 0.00 H new ATOM 0 HB ILE A 87 1.036 10.729 -19.407 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.757 11.907 -19.341 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.386 10.231 -19.691 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.843 12.674 -17.919 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.860 13.015 -19.339 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.193 13.636 -19.268 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.982 10.517 -17.307 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.288 9.996 -17.466 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.666 11.698 -17.111 1.00 0.00 H new ATOM 1132 N ASP A 88 1.958 12.783 -22.579 1.00 0.00 N ATOM 1133 CA ASP A 88 3.243 12.965 -23.233 1.00 0.00 C ATOM 1134 C ASP A 88 4.200 13.680 -22.278 1.00 0.00 C ATOM 1135 O ASP A 88 5.292 13.185 -22.003 1.00 0.00 O ATOM 1136 CB ASP A 88 3.102 13.824 -24.492 1.00 0.00 C ATOM 1137 CG ASP A 88 2.685 13.062 -25.752 1.00 0.00 C ATOM 1138 OD1 ASP A 88 1.605 12.456 -25.803 1.00 0.00 O ATOM 1139 OD2 ASP A 88 3.534 13.107 -26.722 1.00 0.00 O ATOM 0 H ASP A 88 1.279 13.522 -22.759 1.00 0.00 H new ATOM 0 HA ASP A 88 3.625 11.982 -23.507 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.368 14.606 -24.299 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.054 14.320 -24.684 1.00 0.00 H new ATOM 1145 N ASP A 89 3.756 14.833 -21.799 1.00 0.00 N ATOM 1146 CA ASP A 89 4.561 15.621 -20.881 1.00 0.00 C ATOM 1147 C ASP A 89 3.765 15.869 -19.597 1.00 0.00 C ATOM 1148 O ASP A 89 2.619 16.312 -19.649 1.00 0.00 O ATOM 1149 CB ASP A 89 4.916 16.980 -21.486 1.00 0.00 C ATOM 1150 CG ASP A 89 3.772 17.678 -22.224 1.00 0.00 C ATOM 1151 OD1 ASP A 89 3.453 17.340 -23.374 1.00 0.00 O ATOM 1152 OD2 ASP A 89 3.190 18.620 -21.562 1.00 0.00 O ATOM 0 H ASP A 89 2.850 15.240 -22.029 1.00 0.00 H new ATOM 0 HA ASP A 89 5.477 15.068 -20.676 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.267 17.635 -20.689 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.747 16.847 -22.178 1.00 0.00 H new