USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 475 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 17 HIS :FLIP no HD1:sc= -0.633 F(o=-1.3,f=-0.63) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 TRP N :NH3+ 145:sc= 0.0103 (180deg=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -3.09! C(o=-3.9!,f=-3.1!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 22 THR OG1 : rot -1:sc= 0.412 USER MOD Single : A 24 ASN : amide:sc= -2.22! C(o=-2.2!,f=-4.5!) USER MOD Single : A 33 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.94! C(o=-3.5!,f=-1.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0288) USER MOD Single : A 56 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.3!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A -1 23.916 4.275 17.202 1.00 0.00 N ATOM 2 CA TRP A -1 24.013 5.006 15.913 1.00 0.00 C ATOM 3 C TRP A -1 24.666 4.133 14.840 1.00 0.00 C ATOM 4 O TRP A -1 25.622 3.409 15.115 1.00 0.00 O ATOM 5 CB TRP A -1 24.818 6.289 16.149 1.00 0.00 C ATOM 6 CG TRP A -1 24.900 7.199 14.957 1.00 0.00 C ATOM 7 CD1 TRP A -1 25.964 7.978 14.609 1.00 0.00 C ATOM 8 CD2 TRP A -1 23.889 7.439 13.966 1.00 0.00 C ATOM 9 NE1 TRP A -1 25.687 8.671 13.457 1.00 0.00 N ATOM 10 CE2 TRP A -1 24.423 8.362 13.046 1.00 0.00 C ATOM 11 CE3 TRP A -1 22.591 6.962 13.756 1.00 0.00 C ATOM 12 CZ2 TRP A -1 23.707 8.818 11.942 1.00 0.00 C ATOM 13 CZ3 TRP A -1 21.885 7.417 12.661 1.00 0.00 C ATOM 14 CH2 TRP A -1 22.443 8.332 11.765 1.00 0.00 C ATOM 0 H1 TRP A -1 24.052 4.940 17.990 1.00 0.00 H new ATOM 0 H2 TRP A -1 22.978 3.833 17.281 1.00 0.00 H new ATOM 0 H3 TRP A -1 24.650 3.539 17.240 1.00 0.00 H new ATOM 0 HA TRP A -1 23.016 5.260 15.553 1.00 0.00 H new ATOM 0 HB2 TRP A -1 24.371 6.837 16.979 1.00 0.00 H new ATOM 0 HB3 TRP A -1 25.829 6.018 16.454 1.00 0.00 H new ATOM 0 HD1 TRP A -1 26.891 8.041 15.160 1.00 0.00 H new ATOM 0 HE1 TRP A -1 26.323 9.313 12.984 1.00 0.00 H new ATOM 0 HE3 TRP A -1 22.149 6.251 14.438 1.00 0.00 H new ATOM 0 HZ2 TRP A -1 24.135 9.529 11.252 1.00 0.00 H new ATOM 0 HZ3 TRP A -1 20.880 7.058 12.493 1.00 0.00 H new ATOM 0 HH2 TRP A -1 21.863 8.662 10.915 1.00 0.00 H new ATOM 25 N LEU A 1 24.123 4.189 13.628 1.00 0.00 N ATOM 26 CA LEU A 1 24.627 3.385 12.516 1.00 0.00 C ATOM 27 C LEU A 1 25.955 3.911 11.975 1.00 0.00 C ATOM 28 O LEU A 1 26.499 3.361 11.018 1.00 0.00 O ATOM 29 CB LEU A 1 23.596 3.361 11.386 1.00 0.00 C ATOM 30 CG LEU A 1 23.786 4.444 10.319 1.00 0.00 C ATOM 31 CD1 LEU A 1 22.880 4.193 9.127 1.00 0.00 C ATOM 32 CD2 LEU A 1 23.515 5.817 10.906 1.00 0.00 C ATOM 0 H LEU A 1 23.331 4.785 13.389 1.00 0.00 H new ATOM 0 HA LEU A 1 24.798 2.378 12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 1 23.630 2.385 10.903 1.00 0.00 H new ATOM 0 HB3 LEU A 1 22.601 3.468 11.819 1.00 0.00 H new ATOM 0 HG LEU A 1 24.820 4.407 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 1 23.033 4.975 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 1 23.116 3.223 8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 1 21.840 4.200 9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 1 23.654 6.576 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 1 22.491 5.859 11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 1 24.206 6.004 11.728 1.00 0.00 H new ATOM 44 N ILE A 2 26.473 4.974 12.570 1.00 0.00 N ATOM 45 CA ILE A 2 27.729 5.550 12.113 1.00 0.00 C ATOM 46 C ILE A 2 28.882 5.164 13.031 1.00 0.00 C ATOM 47 O ILE A 2 28.783 5.271 14.252 1.00 0.00 O ATOM 48 CB ILE A 2 27.635 7.081 12.014 1.00 0.00 C ATOM 49 CG1 ILE A 2 26.449 7.484 11.138 1.00 0.00 C ATOM 50 CG2 ILE A 2 28.931 7.664 11.469 1.00 0.00 C ATOM 51 CD1 ILE A 2 26.593 7.070 9.688 1.00 0.00 C ATOM 0 H ILE A 2 26.048 5.453 13.364 1.00 0.00 H new ATOM 0 HA ILE A 2 27.924 5.146 11.120 1.00 0.00 H new ATOM 0 HB ILE A 2 27.477 7.484 13.014 1.00 0.00 H new ATOM 0 HG12 ILE A 2 25.541 7.039 11.545 1.00 0.00 H new ATOM 0 HG13 ILE A 2 26.324 8.566 11.187 1.00 0.00 H new ATOM 0 HG21 ILE A 2 28.844 8.749 11.407 1.00 0.00 H new ATOM 0 HG22 ILE A 2 29.755 7.404 12.133 1.00 0.00 H new ATOM 0 HG23 ILE A 2 29.123 7.258 10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 2 25.714 7.390 9.129 1.00 0.00 H new ATOM 0 HD12 ILE A 2 27.482 7.536 9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 2 26.687 5.986 9.627 1.00 0.00 H new ATOM 63 N THR A 3 29.972 4.703 12.423 1.00 0.00 N ATOM 64 CA THR A 3 31.153 4.283 13.166 1.00 0.00 C ATOM 65 C THR A 3 32.192 5.402 13.232 1.00 0.00 C ATOM 66 O THR A 3 33.222 5.268 13.894 1.00 0.00 O ATOM 67 CB THR A 3 31.757 3.038 12.512 1.00 0.00 C ATOM 68 OG1 THR A 3 30.773 2.031 12.358 1.00 0.00 O ATOM 69 CG2 THR A 3 32.903 2.436 13.296 1.00 0.00 C ATOM 0 H THR A 3 30.060 4.611 11.411 1.00 0.00 H new ATOM 0 HA THR A 3 30.852 4.047 14.187 1.00 0.00 H new ATOM 0 HB THR A 3 32.139 3.378 11.549 1.00 0.00 H new ATOM 0 HG1 THR A 3 31.175 1.243 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 3 33.281 1.558 12.772 1.00 0.00 H new ATOM 0 HG22 THR A 3 33.702 3.171 13.395 1.00 0.00 H new ATOM 0 HG23 THR A 3 32.553 2.145 14.286 1.00 0.00 H new ATOM 77 N GLY A 4 31.916 6.504 12.541 1.00 0.00 N ATOM 78 CA GLY A 4 32.837 7.627 12.536 1.00 0.00 C ATOM 79 C GLY A 4 33.872 7.528 11.431 1.00 0.00 C ATOM 80 O GLY A 4 33.717 6.744 10.494 1.00 0.00 O ATOM 0 H GLY A 4 31.072 6.640 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.274 8.553 12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.344 7.681 13.500 1.00 0.00 H new ATOM 84 N THR A 5 34.926 8.332 11.536 1.00 0.00 N ATOM 85 CA THR A 5 35.985 8.336 10.532 1.00 0.00 C ATOM 86 C THR A 5 36.962 7.184 10.748 1.00 0.00 C ATOM 87 O THR A 5 37.779 6.883 9.878 1.00 0.00 O ATOM 88 CB THR A 5 36.744 9.665 10.571 1.00 0.00 C ATOM 89 OG1 THR A 5 37.433 9.809 11.799 1.00 0.00 O ATOM 90 CG2 THR A 5 35.853 10.875 10.401 1.00 0.00 C ATOM 0 H THR A 5 35.069 8.988 12.304 1.00 0.00 H new ATOM 0 HA THR A 5 35.517 8.210 9.556 1.00 0.00 H new ATOM 0 HB THR A 5 37.435 9.626 9.729 1.00 0.00 H new ATOM 0 HG1 THR A 5 37.914 10.663 11.806 1.00 0.00 H new ATOM 0 HG21 THR A 5 36.458 11.781 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.343 10.819 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 5 35.114 10.898 11.202 1.00 0.00 H new ATOM 98 N GLU A 6 36.880 6.549 11.910 1.00 0.00 N ATOM 99 CA GLU A 6 37.765 5.437 12.228 1.00 0.00 C ATOM 100 C GLU A 6 37.116 4.100 11.900 1.00 0.00 C ATOM 101 O GLU A 6 35.948 3.863 12.210 1.00 0.00 O ATOM 102 CB GLU A 6 38.165 5.477 13.700 1.00 0.00 C ATOM 103 CG GLU A 6 39.173 4.410 14.093 1.00 0.00 C ATOM 104 CD GLU A 6 39.496 4.437 15.575 1.00 0.00 C ATOM 105 OE1 GLU A 6 38.842 5.206 16.310 1.00 0.00 O ATOM 106 OE2 GLU A 6 40.405 3.692 15.999 1.00 0.00 O ATOM 0 H GLU A 6 36.213 6.784 12.645 1.00 0.00 H new ATOM 0 HA GLU A 6 38.659 5.540 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 6 38.582 6.458 13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 6 37.271 5.362 14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 6 38.781 3.428 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 6 40.090 4.552 13.521 1.00 0.00 H new ATOM 113 N ALA A 7 37.894 3.229 11.277 1.00 0.00 N ATOM 114 CA ALA A 7 37.422 1.902 10.902 1.00 0.00 C ATOM 115 C ALA A 7 37.988 0.837 11.838 1.00 0.00 C ATOM 116 O ALA A 7 39.193 0.797 12.087 1.00 0.00 O ATOM 117 CB ALA A 7 37.802 1.596 9.460 1.00 0.00 C ATOM 0 H ALA A 7 38.862 3.418 11.018 1.00 0.00 H new ATOM 0 HA ALA A 7 36.336 1.888 10.990 1.00 0.00 H new ATOM 0 HB1 ALA A 7 37.444 0.602 9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 7 37.349 2.335 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 7 38.886 1.631 9.354 1.00 0.00 H new ATOM 123 N SER A 8 37.116 -0.022 12.357 1.00 0.00 N ATOM 124 CA SER A 8 37.542 -1.082 13.265 1.00 0.00 C ATOM 125 C SER A 8 37.331 -2.459 12.645 1.00 0.00 C ATOM 126 O SER A 8 36.442 -2.651 11.816 1.00 0.00 O ATOM 127 CB SER A 8 36.787 -0.987 14.591 1.00 0.00 C ATOM 128 OG SER A 8 35.385 -1.035 14.386 1.00 0.00 O ATOM 0 H SER A 8 36.114 -0.005 12.166 1.00 0.00 H new ATOM 0 HA SER A 8 38.608 -0.950 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 8 37.090 -1.805 15.245 1.00 0.00 H new ATOM 0 HB3 SER A 8 37.052 -0.059 15.098 1.00 0.00 H new ATOM 0 HG SER A 8 34.926 -0.974 15.250 1.00 0.00 H new ATOM 134 N CYS A 9 38.159 -3.412 13.055 1.00 0.00 N ATOM 135 CA CYS A 9 38.078 -4.778 12.551 1.00 0.00 C ATOM 136 C CYS A 9 38.181 -5.767 13.702 1.00 0.00 C ATOM 137 O CYS A 9 38.485 -5.377 14.829 1.00 0.00 O ATOM 138 CB CYS A 9 39.181 -5.003 11.521 1.00 0.00 C ATOM 139 SG CYS A 9 39.391 -6.702 10.919 1.00 0.00 S ATOM 0 H CYS A 9 38.900 -3.262 13.740 1.00 0.00 H new ATOM 0 HA CYS A 9 37.115 -4.936 12.065 1.00 0.00 H new ATOM 0 HB2 CYS A 9 38.984 -4.359 10.664 1.00 0.00 H new ATOM 0 HB3 CYS A 9 40.126 -4.676 11.955 1.00 0.00 H new ATOM 144 N GLU A 10 37.896 -7.036 13.436 1.00 0.00 N ATOM 145 CA GLU A 10 37.935 -8.034 14.490 1.00 0.00 C ATOM 146 C GLU A 10 39.202 -8.885 14.457 1.00 0.00 C ATOM 147 O GLU A 10 39.640 -9.392 15.490 1.00 0.00 O ATOM 148 CB GLU A 10 36.710 -8.941 14.399 1.00 0.00 C ATOM 149 CG GLU A 10 35.406 -8.254 14.768 1.00 0.00 C ATOM 150 CD GLU A 10 35.387 -7.778 16.207 1.00 0.00 C ATOM 151 OE1 GLU A 10 36.219 -8.258 17.003 1.00 0.00 O ATOM 152 OE2 GLU A 10 34.535 -6.924 16.538 1.00 0.00 O ATOM 0 H GLU A 10 37.640 -7.391 12.515 1.00 0.00 H new ATOM 0 HA GLU A 10 37.934 -7.491 15.435 1.00 0.00 H new ATOM 0 HB2 GLU A 10 36.631 -9.327 13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 10 36.856 -9.799 15.056 1.00 0.00 H new ATOM 0 HG2 GLU A 10 35.247 -7.403 14.105 1.00 0.00 H new ATOM 0 HG3 GLU A 10 34.577 -8.943 14.606 1.00 0.00 H new ATOM 159 N ASN A 11 39.780 -9.055 13.277 1.00 0.00 N ATOM 160 CA ASN A 11 40.986 -9.865 13.137 1.00 0.00 C ATOM 161 C ASN A 11 42.239 -9.015 13.279 1.00 0.00 C ATOM 162 O ASN A 11 42.245 -7.839 12.939 1.00 0.00 O ATOM 163 CB ASN A 11 40.987 -10.584 11.791 1.00 0.00 C ATOM 164 CG ASN A 11 40.065 -11.788 11.777 1.00 0.00 C ATOM 165 OD1 ASN A 11 40.340 -12.752 12.648 1.00 0.00 O flip ATOM 166 ND2 ASN A 11 39.118 -11.851 10.994 1.00 0.00 N flip ATOM 0 H ASN A 11 39.438 -8.647 12.407 1.00 0.00 H new ATOM 0 HA ASN A 11 40.988 -10.606 13.936 1.00 0.00 H new ATOM 0 HB2 ASN A 11 40.682 -9.887 11.010 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.002 -10.904 11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 11 38.944 -11.086 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 11 38.507 -12.668 10.997 1.00 0.00 H new ATOM 173 N GLU A 12 43.301 -9.620 13.788 1.00 0.00 N ATOM 174 CA GLU A 12 44.557 -8.919 13.973 1.00 0.00 C ATOM 175 C GLU A 12 45.481 -9.137 12.785 1.00 0.00 C ATOM 176 O GLU A 12 46.217 -10.120 12.727 1.00 0.00 O ATOM 177 CB GLU A 12 45.241 -9.387 15.258 1.00 0.00 C ATOM 178 CG GLU A 12 46.518 -8.629 15.580 1.00 0.00 C ATOM 179 CD GLU A 12 47.237 -9.186 16.793 1.00 0.00 C ATOM 180 OE1 GLU A 12 46.821 -10.254 17.290 1.00 0.00 O ATOM 181 OE2 GLU A 12 48.214 -8.554 17.245 1.00 0.00 O ATOM 0 H GLU A 12 43.316 -10.597 14.080 1.00 0.00 H new ATOM 0 HA GLU A 12 44.341 -7.853 14.051 1.00 0.00 H new ATOM 0 HB2 GLU A 12 44.545 -9.279 16.090 1.00 0.00 H new ATOM 0 HB3 GLU A 12 45.471 -10.449 15.171 1.00 0.00 H new ATOM 0 HG2 GLU A 12 47.185 -8.666 14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 12 46.279 -7.580 15.754 1.00 0.00 H new ATOM 188 N GLY A 13 45.443 -8.203 11.849 1.00 0.00 N ATOM 189 CA GLY A 13 46.292 -8.294 10.674 1.00 0.00 C ATOM 190 C GLY A 13 45.610 -8.926 9.475 1.00 0.00 C ATOM 191 O GLY A 13 46.169 -9.823 8.845 1.00 0.00 O ATOM 0 H GLY A 13 44.840 -7.381 11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 13 46.630 -7.294 10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 13 47.180 -8.874 10.923 1.00 0.00 H new ATOM 195 N GLU A 14 44.411 -8.451 9.139 1.00 0.00 N ATOM 196 CA GLU A 14 43.685 -8.982 7.983 1.00 0.00 C ATOM 197 C GLU A 14 43.619 -7.979 6.883 1.00 0.00 C ATOM 198 O GLU A 14 44.487 -7.915 6.012 1.00 0.00 O ATOM 199 CB GLU A 14 42.273 -9.418 8.376 1.00 0.00 C ATOM 200 CG GLU A 14 42.160 -10.896 8.598 1.00 0.00 C ATOM 201 CD GLU A 14 40.746 -11.346 8.907 1.00 0.00 C ATOM 202 OE1 GLU A 14 39.886 -10.476 9.159 1.00 0.00 O ATOM 203 OE2 GLU A 14 40.498 -12.569 8.890 1.00 0.00 O ATOM 0 H GLU A 14 43.926 -7.709 9.643 1.00 0.00 H new ATOM 0 HA GLU A 14 44.233 -9.854 7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 14 41.977 -8.895 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 14 41.575 -9.119 7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 14 42.515 -11.419 7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 14 42.814 -11.185 9.421 1.00 0.00 H new ATOM 210 N VAL A 15 42.582 -7.219 6.912 1.00 0.00 N ATOM 211 CA VAL A 15 42.383 -6.220 5.905 1.00 0.00 C ATOM 212 C VAL A 15 41.037 -5.533 6.056 1.00 0.00 C ATOM 213 O VAL A 15 40.019 -6.157 6.351 1.00 0.00 O ATOM 214 CB VAL A 15 42.591 -6.843 4.531 1.00 0.00 C ATOM 215 CG1 VAL A 15 42.094 -8.260 4.533 1.00 0.00 C ATOM 216 CG2 VAL A 15 41.945 -6.019 3.431 1.00 0.00 C ATOM 0 H VAL A 15 41.851 -7.265 7.622 1.00 0.00 H new ATOM 0 HA VAL A 15 43.122 -5.428 6.026 1.00 0.00 H new ATOM 0 HB VAL A 15 43.660 -6.853 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 15 42.246 -8.700 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 15 42.644 -8.837 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 15 41.032 -8.273 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 15 42.117 -6.499 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 15 40.873 -5.946 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 15 42.380 -5.020 3.421 1.00 0.00 H new ATOM 226 N LEU A 16 41.081 -4.220 5.907 1.00 0.00 N ATOM 227 CA LEU A 16 39.917 -3.363 6.080 1.00 0.00 C ATOM 228 C LEU A 16 39.975 -2.197 5.104 1.00 0.00 C ATOM 229 O LEU A 16 40.240 -1.055 5.487 1.00 0.00 O ATOM 230 CB LEU A 16 39.875 -2.829 7.525 1.00 0.00 C ATOM 231 CG LEU A 16 40.944 -3.400 8.478 1.00 0.00 C ATOM 232 CD1 LEU A 16 42.325 -3.270 7.895 1.00 0.00 C ATOM 233 CD2 LEU A 16 40.925 -2.703 9.820 1.00 0.00 C ATOM 0 H LEU A 16 41.931 -3.713 5.661 1.00 0.00 H new ATOM 0 HA LEU A 16 39.017 -3.945 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 16 39.982 -1.745 7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 16 38.891 -3.041 7.943 1.00 0.00 H new ATOM 0 HG LEU A 16 40.701 -4.454 8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 16 43.055 -3.682 8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 42.375 -3.816 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 16 42.547 -2.218 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 16 41.692 -3.133 10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 16 41.122 -1.640 9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 16 39.947 -2.833 10.284 1.00 0.00 H new ATOM 245 N HIS A 17 39.747 -2.502 3.841 1.00 0.00 N ATOM 246 CA HIS A 17 39.791 -1.502 2.778 1.00 0.00 C ATOM 247 C HIS A 17 38.795 -0.364 3.004 1.00 0.00 C ATOM 248 O HIS A 17 37.626 -0.590 3.313 1.00 0.00 O ATOM 249 CB HIS A 17 39.508 -2.160 1.427 1.00 0.00 C ATOM 250 CG HIS A 17 40.589 -3.088 0.972 1.00 0.00 C ATOM 251 ND1 HIS A 17 41.834 -2.836 0.506 1.00 0.00 N flip ATOM 252 CD2 HIS A 17 40.446 -4.460 0.957 1.00 0.00 C flip ATOM 253 CE1 HIS A 17 42.416 -4.047 0.223 1.00 0.00 C flip ATOM 254 NE2 HIS A 17 41.559 -5.010 0.503 1.00 0.00 N flip ATOM 0 H HIS A 17 39.527 -3.444 3.518 1.00 0.00 H new ATOM 0 HA HIS A 17 40.793 -1.073 2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 17 38.570 -2.712 1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 17 39.369 -1.382 0.676 1.00 0.00 H new ATOM 0 HD2 HIS A 17 39.564 -5.000 1.267 1.00 0.00 H new ATOM 0 HE1 HIS A 17 43.414 -4.188 -0.166 1.00 0.00 H new ATOM 0 HE2 HIS A 17 41.727 -6.010 0.389 1.00 0.00 H new ATOM 262 N ILE A 18 39.278 0.865 2.817 1.00 0.00 N ATOM 263 CA ILE A 18 38.457 2.062 2.962 1.00 0.00 C ATOM 264 C ILE A 18 38.579 2.927 1.707 1.00 0.00 C ATOM 265 O ILE A 18 39.642 2.990 1.098 1.00 0.00 O ATOM 266 CB ILE A 18 38.871 2.897 4.193 1.00 0.00 C ATOM 267 CG1 ILE A 18 39.654 2.040 5.191 1.00 0.00 C ATOM 268 CG2 ILE A 18 37.647 3.504 4.864 1.00 0.00 C ATOM 269 CD1 ILE A 18 38.801 1.027 5.918 1.00 0.00 C ATOM 0 H ILE A 18 40.247 1.056 2.562 1.00 0.00 H new ATOM 0 HA ILE A 18 37.426 1.738 3.101 1.00 0.00 H new ATOM 0 HB ILE A 18 39.517 3.706 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 18 40.451 1.518 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 18 40.131 2.693 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 18 37.959 4.089 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 18 37.128 4.151 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.977 2.708 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 18 39.422 0.456 6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 18 38.019 1.543 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 18 38.345 0.350 5.196 1.00 0.00 H new ATOM 281 N PRO A 19 37.491 3.594 1.294 1.00 0.00 N ATOM 282 CA PRO A 19 37.488 4.441 0.094 1.00 0.00 C ATOM 283 C PRO A 19 38.630 5.463 0.079 1.00 0.00 C ATOM 284 O PRO A 19 39.693 5.205 -0.480 1.00 0.00 O ATOM 285 CB PRO A 19 36.119 5.146 0.146 1.00 0.00 C ATOM 286 CG PRO A 19 35.585 4.881 1.516 1.00 0.00 C ATOM 287 CD PRO A 19 36.175 3.569 1.939 1.00 0.00 C ATOM 0 HA PRO A 19 37.640 3.852 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 19 36.222 6.216 -0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 19 35.448 4.756 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 19 35.866 5.677 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 19 34.496 4.836 1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 19 36.255 3.490 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 19 35.573 2.725 1.602 1.00 0.00 H new ATOM 295 N ASN A 20 38.404 6.617 0.699 1.00 0.00 N ATOM 296 CA ASN A 20 39.404 7.686 0.751 1.00 0.00 C ATOM 297 C ASN A 20 40.807 7.153 1.043 1.00 0.00 C ATOM 298 O ASN A 20 41.805 7.812 0.747 1.00 0.00 O ATOM 299 CB ASN A 20 39.016 8.712 1.818 1.00 0.00 C ATOM 300 CG ASN A 20 39.811 9.998 1.704 1.00 0.00 C ATOM 301 OD1 ASN A 20 40.085 10.480 0.606 1.00 0.00 O ATOM 302 ND2 ASN A 20 40.184 10.562 2.848 1.00 0.00 N ATOM 0 H ASN A 20 37.531 6.840 1.177 1.00 0.00 H new ATOM 0 HA ASN A 20 39.426 8.156 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 20 37.953 8.937 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 20 39.171 8.280 2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 20 40.720 11.430 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 20 39.934 10.127 3.736 1.00 0.00 H new ATOM 309 N ILE A 21 40.880 5.972 1.637 1.00 0.00 N ATOM 310 CA ILE A 21 42.154 5.361 1.985 1.00 0.00 C ATOM 311 C ILE A 21 42.642 4.420 0.890 1.00 0.00 C ATOM 312 O ILE A 21 43.579 4.732 0.157 1.00 0.00 O ATOM 313 CB ILE A 21 42.035 4.580 3.306 1.00 0.00 C ATOM 314 CG1 ILE A 21 41.648 5.522 4.447 1.00 0.00 C ATOM 315 CG2 ILE A 21 43.336 3.861 3.619 1.00 0.00 C ATOM 316 CD1 ILE A 21 41.313 4.806 5.738 1.00 0.00 C ATOM 0 H ILE A 21 40.065 5.413 1.890 1.00 0.00 H new ATOM 0 HA ILE A 21 42.878 6.168 2.099 1.00 0.00 H new ATOM 0 HB ILE A 21 41.251 3.831 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 21 42.469 6.215 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 21 40.789 6.118 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 21 43.233 3.314 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 21 43.568 3.163 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 21 44.141 4.590 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 21 41.048 5.537 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 21 40.472 4.133 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 21 42.178 4.231 6.070 1.00 0.00 H new ATOM 328 N THR A 22 42.006 3.259 0.802 1.00 0.00 N ATOM 329 CA THR A 22 42.373 2.249 -0.181 1.00 0.00 C ATOM 330 C THR A 22 41.828 2.568 -1.571 1.00 0.00 C ATOM 331 O THR A 22 42.045 1.801 -2.509 1.00 0.00 O ATOM 332 CB THR A 22 41.887 0.871 0.274 1.00 0.00 C ATOM 333 OG1 THR A 22 40.477 0.852 0.407 1.00 0.00 O ATOM 334 CG2 THR A 22 42.487 0.440 1.597 1.00 0.00 C ATOM 0 H THR A 22 41.228 2.993 1.405 1.00 0.00 H new ATOM 0 HA THR A 22 43.461 2.247 -0.254 1.00 0.00 H new ATOM 0 HB THR A 22 42.213 0.175 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.117 1.739 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 22 42.104 -0.544 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 22 43.572 0.395 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 22 42.216 1.159 2.371 1.00 0.00 H new ATOM 342 N ASP A 23 41.141 3.701 -1.724 1.00 0.00 N ATOM 343 CA ASP A 23 40.615 4.067 -3.037 1.00 0.00 C ATOM 344 C ASP A 23 41.688 3.813 -4.078 1.00 0.00 C ATOM 345 O ASP A 23 41.401 3.479 -5.229 1.00 0.00 O ATOM 346 CB ASP A 23 40.186 5.537 -3.088 1.00 0.00 C ATOM 347 CG ASP A 23 39.726 5.950 -4.472 1.00 0.00 C ATOM 348 OD1 ASP A 23 39.491 5.055 -5.311 1.00 0.00 O ATOM 349 OD2 ASP A 23 39.602 7.168 -4.718 1.00 0.00 O ATOM 0 H ASP A 23 40.940 4.365 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 23 39.732 3.460 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 23 39.380 5.704 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 23 41.020 6.168 -2.780 1.00 0.00 H new ATOM 354 N ASN A 24 42.931 3.962 -3.645 1.00 0.00 N ATOM 355 CA ASN A 24 44.080 3.737 -4.514 1.00 0.00 C ATOM 356 C ASN A 24 44.636 2.335 -4.305 1.00 0.00 C ATOM 357 O ASN A 24 44.790 1.877 -3.173 1.00 0.00 O ATOM 358 CB ASN A 24 45.166 4.781 -4.243 1.00 0.00 C ATOM 359 CG ASN A 24 45.884 5.213 -5.506 1.00 0.00 C ATOM 360 OD1 ASN A 24 45.301 5.235 -6.589 1.00 0.00 O ATOM 361 ND2 ASN A 24 47.158 5.561 -5.371 1.00 0.00 N ATOM 0 H ASN A 24 43.172 4.239 -2.693 1.00 0.00 H new ATOM 0 HA ASN A 24 43.754 3.833 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 24 44.717 5.653 -3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 24 45.891 4.372 -3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 24 47.694 5.862 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 24 47.601 5.528 -4.453 1.00 0.00 H new ATOM 368 N PRO A 25 44.949 1.634 -5.403 1.00 0.00 N ATOM 369 CA PRO A 25 45.494 0.273 -5.352 1.00 0.00 C ATOM 370 C PRO A 25 46.704 0.188 -4.439 1.00 0.00 C ATOM 371 O PRO A 25 46.944 -0.830 -3.789 1.00 0.00 O ATOM 372 CB PRO A 25 45.914 0.004 -6.805 1.00 0.00 C ATOM 373 CG PRO A 25 45.881 1.338 -7.477 1.00 0.00 C ATOM 374 CD PRO A 25 44.806 2.106 -6.783 1.00 0.00 C ATOM 0 HA PRO A 25 44.773 -0.445 -4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 25 46.910 -0.436 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 25 45.233 -0.697 -7.288 1.00 0.00 H new ATOM 0 HG2 PRO A 25 46.843 1.844 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 25 45.667 1.237 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 25 44.954 3.183 -6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 25 43.819 1.888 -7.190 1.00 0.00 H new ATOM 382 N CYS A 26 47.459 1.272 -4.405 1.00 0.00 N ATOM 383 CA CYS A 26 48.656 1.353 -3.582 1.00 0.00 C ATOM 384 C CYS A 26 48.314 1.448 -2.096 1.00 0.00 C ATOM 385 O CYS A 26 49.184 1.273 -1.245 1.00 0.00 O ATOM 386 CB CYS A 26 49.507 2.548 -4.011 1.00 0.00 C ATOM 387 SG CYS A 26 50.180 2.396 -5.694 1.00 0.00 S ATOM 0 H CYS A 26 47.263 2.116 -4.943 1.00 0.00 H new ATOM 0 HA CYS A 26 49.226 0.436 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 26 48.903 3.454 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 26 50.332 2.667 -3.308 1.00 0.00 H new ATOM 392 N ILE A 27 47.051 1.730 -1.784 1.00 0.00 N ATOM 393 CA ILE A 27 46.631 1.846 -0.394 1.00 0.00 C ATOM 394 C ILE A 27 45.711 0.701 0.020 1.00 0.00 C ATOM 395 O ILE A 27 44.634 0.511 -0.546 1.00 0.00 O ATOM 396 CB ILE A 27 45.914 3.183 -0.126 1.00 0.00 C ATOM 397 CG1 ILE A 27 46.778 4.353 -0.597 1.00 0.00 C ATOM 398 CG2 ILE A 27 45.586 3.324 1.357 1.00 0.00 C ATOM 399 CD1 ILE A 27 46.207 5.707 -0.235 1.00 0.00 C ATOM 0 H ILE A 27 46.310 1.881 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 27 47.543 1.802 0.201 1.00 0.00 H new ATOM 0 HB ILE A 27 44.980 3.195 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 27 47.773 4.258 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 27 46.897 4.295 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 27 45.080 4.274 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 27 44.936 2.505 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 27 46.508 3.294 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 27 46.871 6.491 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 27 45.224 5.822 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 27 46.114 5.785 0.848 1.00 0.00 H new ATOM 411 N SER A 28 46.143 -0.037 1.032 1.00 0.00 N ATOM 412 CA SER A 28 45.378 -1.155 1.577 1.00 0.00 C ATOM 413 C SER A 28 45.401 -1.044 3.089 1.00 0.00 C ATOM 414 O SER A 28 46.300 -0.404 3.625 1.00 0.00 O ATOM 415 CB SER A 28 45.973 -2.491 1.128 1.00 0.00 C ATOM 416 OG SER A 28 45.203 -3.581 1.605 1.00 0.00 O ATOM 0 H SER A 28 47.035 0.121 1.501 1.00 0.00 H new ATOM 0 HA SER A 28 44.352 -1.117 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 28 46.019 -2.524 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 28 46.996 -2.578 1.493 1.00 0.00 H new ATOM 0 HG SER A 28 45.604 -4.422 1.302 1.00 0.00 H new ATOM 422 N CYS A 29 44.446 -1.648 3.795 1.00 0.00 N ATOM 423 CA CYS A 29 44.437 -1.561 5.230 1.00 0.00 C ATOM 424 C CYS A 29 44.551 -2.945 5.800 1.00 0.00 C ATOM 425 O CYS A 29 44.100 -3.905 5.183 1.00 0.00 O ATOM 426 CB CYS A 29 43.128 -0.939 5.710 1.00 0.00 C ATOM 427 SG CYS A 29 42.760 0.688 4.994 1.00 0.00 S ATOM 0 H CYS A 29 43.684 -2.193 3.391 1.00 0.00 H new ATOM 0 HA CYS A 29 45.272 -0.942 5.557 1.00 0.00 H new ATOM 0 HB2 CYS A 29 42.309 -1.619 5.474 1.00 0.00 H new ATOM 0 HB3 CYS A 29 43.162 -0.845 6.795 1.00 0.00 H new ATOM 432 N VAL A 30 45.071 -3.053 6.999 1.00 0.00 N ATOM 433 CA VAL A 30 45.118 -4.337 7.634 1.00 0.00 C ATOM 434 C VAL A 30 44.699 -4.184 9.032 1.00 0.00 C ATOM 435 O VAL A 30 45.052 -3.229 9.717 1.00 0.00 O ATOM 436 CB VAL A 30 46.430 -5.101 7.531 1.00 0.00 C ATOM 437 CG1 VAL A 30 47.447 -4.653 8.574 1.00 0.00 C ATOM 438 CG2 VAL A 30 46.136 -6.590 7.628 1.00 0.00 C ATOM 0 H VAL A 30 45.459 -2.281 7.541 1.00 0.00 H new ATOM 0 HA VAL A 30 44.429 -4.968 7.074 1.00 0.00 H new ATOM 0 HB VAL A 30 46.889 -4.885 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 30 48.365 -5.229 8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 30 47.664 -3.593 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 30 47.040 -4.816 9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 30 47.068 -7.150 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 30 45.657 -6.805 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 30 45.472 -6.884 6.815 1.00 0.00 H new ATOM 448 N CYS A 31 43.861 -5.081 9.404 1.00 0.00 N ATOM 449 CA CYS A 31 43.268 -5.024 10.698 1.00 0.00 C ATOM 450 C CYS A 31 44.328 -4.950 11.802 1.00 0.00 C ATOM 451 O CYS A 31 44.609 -5.954 12.456 1.00 0.00 O ATOM 452 CB CYS A 31 42.373 -6.236 10.947 1.00 0.00 C ATOM 453 SG CYS A 31 41.041 -6.544 9.751 1.00 0.00 S ATOM 0 H CYS A 31 43.566 -5.870 8.830 1.00 0.00 H new ATOM 0 HA CYS A 31 42.665 -4.117 10.727 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.007 -7.122 10.983 1.00 0.00 H new ATOM 0 HB3 CYS A 31 41.923 -6.126 11.934 1.00 0.00 H new ATOM 458 N LEU A 32 44.912 -3.772 12.018 1.00 0.00 N ATOM 459 CA LEU A 32 45.925 -3.615 13.051 1.00 0.00 C ATOM 460 C LEU A 32 45.313 -3.151 14.360 1.00 0.00 C ATOM 461 O LEU A 32 44.742 -2.063 14.438 1.00 0.00 O ATOM 462 CB LEU A 32 46.985 -2.604 12.619 1.00 0.00 C ATOM 463 CG LEU A 32 47.871 -2.076 13.747 1.00 0.00 C ATOM 464 CD1 LEU A 32 48.956 -3.083 14.098 1.00 0.00 C ATOM 465 CD2 LEU A 32 48.486 -0.739 13.360 1.00 0.00 C ATOM 0 H LEU A 32 44.701 -2.922 11.495 1.00 0.00 H new ATOM 0 HA LEU A 32 46.385 -4.592 13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.621 -3.067 11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.487 -1.759 12.142 1.00 0.00 H new ATOM 0 HG LEU A 32 47.248 -1.927 14.629 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.574 -2.686 14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.495 -4.017 14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 49.577 -3.269 13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 49.114 -0.378 14.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 49.092 -0.863 12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.693 -0.017 13.165 1.00 0.00 H new ATOM 477 N ASN A 33 45.449 -3.970 15.394 1.00 0.00 N ATOM 478 CA ASN A 33 44.920 -3.611 16.695 1.00 0.00 C ATOM 479 C ASN A 33 43.474 -3.164 16.554 1.00 0.00 C ATOM 480 O ASN A 33 43.060 -2.166 17.142 1.00 0.00 O ATOM 481 CB ASN A 33 45.771 -2.492 17.294 1.00 0.00 C ATOM 482 CG ASN A 33 47.238 -2.867 17.369 1.00 0.00 C ATOM 483 OD1 ASN A 33 47.596 -4.041 17.275 1.00 0.00 O ATOM 484 ND2 ASN A 33 48.099 -1.869 17.530 1.00 0.00 N ATOM 0 H ASN A 33 45.916 -4.876 15.355 1.00 0.00 H new ATOM 0 HA ASN A 33 44.953 -4.475 17.359 1.00 0.00 H new ATOM 0 HB2 ASN A 33 45.658 -1.590 16.692 1.00 0.00 H new ATOM 0 HB3 ASN A 33 45.406 -2.256 18.294 1.00 0.00 H new ATOM 0 HD21 ASN A 33 49.099 -2.062 17.580 1.00 0.00 H new ATOM 0 HD22 ASN A 33 47.760 -0.910 17.604 1.00 0.00 H new ATOM 491 N GLN A 34 42.718 -3.893 15.741 1.00 0.00 N ATOM 492 CA GLN A 34 41.324 -3.551 15.491 1.00 0.00 C ATOM 493 C GLN A 34 41.230 -2.211 14.793 1.00 0.00 C ATOM 494 O GLN A 34 40.260 -1.472 14.958 1.00 0.00 O ATOM 495 CB GLN A 34 40.546 -3.464 16.786 1.00 0.00 C ATOM 496 CG GLN A 34 40.306 -4.797 17.471 1.00 0.00 C ATOM 497 CD GLN A 34 39.601 -4.638 18.803 1.00 0.00 C ATOM 498 OE1 GLN A 34 39.549 -3.543 19.365 1.00 0.00 O ATOM 499 NE2 GLN A 34 39.055 -5.732 19.319 1.00 0.00 N ATOM 0 H GLN A 34 43.046 -4.722 15.245 1.00 0.00 H new ATOM 0 HA GLN A 34 40.902 -4.336 14.863 1.00 0.00 H new ATOM 0 HB2 GLN A 34 41.082 -2.809 17.473 1.00 0.00 H new ATOM 0 HB3 GLN A 34 39.583 -2.995 16.585 1.00 0.00 H new ATOM 0 HG2 GLN A 34 39.709 -5.436 16.820 1.00 0.00 H new ATOM 0 HG3 GLN A 34 41.260 -5.301 17.625 1.00 0.00 H new ATOM 0 HE21 GLN A 34 39.121 -6.619 18.820 1.00 0.00 H new ATOM 0 HE22 GLN A 34 38.569 -5.686 20.215 1.00 0.00 H new ATOM 508 N LYS A 35 42.248 -1.904 14.021 1.00 0.00 N ATOM 509 CA LYS A 35 42.304 -0.649 13.294 1.00 0.00 C ATOM 510 C LYS A 35 42.791 -0.887 11.879 1.00 0.00 C ATOM 511 O LYS A 35 43.549 -1.820 11.624 1.00 0.00 O ATOM 512 CB LYS A 35 43.221 0.339 14.015 1.00 0.00 C ATOM 513 CG LYS A 35 42.779 0.643 15.436 1.00 0.00 C ATOM 514 CD LYS A 35 43.736 1.604 16.125 1.00 0.00 C ATOM 515 CE LYS A 35 43.846 2.917 15.368 1.00 0.00 C ATOM 516 NZ LYS A 35 44.235 4.045 16.260 1.00 0.00 N ATOM 0 H LYS A 35 43.056 -2.510 13.878 1.00 0.00 H new ATOM 0 HA LYS A 35 41.302 -0.223 13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 35 44.233 -0.064 14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 35 43.260 1.269 13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 35 41.777 1.073 15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 42.720 -0.284 16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 35 43.392 1.796 17.141 1.00 0.00 H new ATOM 0 HD3 LYS A 35 44.721 1.144 16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 35 44.582 2.815 14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 35 42.891 3.143 14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 44.299 4.921 15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 43.520 4.160 17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 45.158 3.842 16.693 1.00 0.00 H new ATOM 530 N ALA A 36 42.357 -0.048 10.956 1.00 0.00 N ATOM 531 CA ALA A 36 42.760 -0.197 9.572 1.00 0.00 C ATOM 532 C ALA A 36 44.204 0.192 9.378 1.00 0.00 C ATOM 533 O ALA A 36 44.523 1.366 9.189 1.00 0.00 O ATOM 534 CB ALA A 36 41.888 0.642 8.672 1.00 0.00 C ATOM 0 H ALA A 36 41.731 0.737 11.138 1.00 0.00 H new ATOM 0 HA ALA A 36 42.644 -1.248 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.206 0.517 7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.850 0.326 8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.977 1.691 8.954 1.00 0.00 H new ATOM 540 N GLU A 37 45.085 -0.791 9.417 1.00 0.00 N ATOM 541 CA GLU A 37 46.488 -0.518 9.236 1.00 0.00 C ATOM 542 C GLU A 37 46.764 -0.163 7.784 1.00 0.00 C ATOM 543 O GLU A 37 47.447 -0.902 7.075 1.00 0.00 O ATOM 544 CB GLU A 37 47.329 -1.718 9.633 1.00 0.00 C ATOM 545 CG GLU A 37 48.705 -1.352 10.162 1.00 0.00 C ATOM 546 CD GLU A 37 49.520 -2.568 10.554 1.00 0.00 C ATOM 547 OE1 GLU A 37 49.032 -3.700 10.358 1.00 0.00 O ATOM 548 OE2 GLU A 37 50.649 -2.389 11.060 1.00 0.00 O ATOM 0 H GLU A 37 44.852 -1.772 9.571 1.00 0.00 H new ATOM 0 HA GLU A 37 46.756 0.323 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 37 46.796 -2.288 10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.444 -2.372 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.244 -0.787 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.596 -0.698 11.027 1.00 0.00 H new ATOM 555 N CYS A 38 46.198 0.946 7.336 1.00 0.00 N ATOM 556 CA CYS A 38 46.361 1.361 5.949 1.00 0.00 C ATOM 557 C CYS A 38 47.704 2.019 5.677 1.00 0.00 C ATOM 558 O CYS A 38 48.148 2.906 6.406 1.00 0.00 O ATOM 559 CB CYS A 38 45.240 2.300 5.515 1.00 0.00 C ATOM 560 SG CYS A 38 43.633 1.970 6.294 1.00 0.00 S ATOM 0 H CYS A 38 45.627 1.571 7.905 1.00 0.00 H new ATOM 0 HA CYS A 38 46.317 0.444 5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 38 45.535 3.325 5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 38 45.125 2.232 4.433 1.00 0.00 H new ATOM 565 N LYS A 39 48.321 1.574 4.592 1.00 0.00 N ATOM 566 CA LYS A 39 49.603 2.094 4.149 1.00 0.00 C ATOM 567 C LYS A 39 49.577 2.281 2.634 1.00 0.00 C ATOM 568 O LYS A 39 48.903 1.528 1.923 1.00 0.00 O ATOM 569 CB LYS A 39 50.729 1.145 4.565 1.00 20.00 C ATOM 570 CG LYS A 39 50.815 0.942 6.070 1.00 20.00 C ATOM 571 CD LYS A 39 51.722 -0.223 6.432 1.00 20.00 C ATOM 572 CE LYS A 39 53.177 0.079 6.118 1.00 20.00 C ATOM 573 NZ LYS A 39 54.104 -0.755 6.932 1.00 20.00 N ATOM 0 H LYS A 39 47.944 0.839 3.993 1.00 0.00 H new ATOM 0 HA LYS A 39 49.788 3.060 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 39 50.579 0.179 4.082 1.00 20.00 H new ATOM 0 HB3 LYS A 39 51.679 1.538 4.203 1.00 20.00 H new ATOM 0 HG2 LYS A 39 51.188 1.852 6.539 1.00 20.00 H new ATOM 0 HG3 LYS A 39 49.817 0.764 6.470 1.00 20.00 H new ATOM 0 HD2 LYS A 39 51.618 -0.449 7.493 1.00 20.00 H new ATOM 0 HD3 LYS A 39 51.409 -1.112 5.885 1.00 20.00 H new ATOM 0 HE2 LYS A 39 53.364 -0.098 5.059 1.00 20.00 H new ATOM 0 HE3 LYS A 39 53.378 1.134 6.305 1.00 20.00 H new ATOM 0 HZ1 LYS A 39 55.087 -0.519 6.689 1.00 20.00 H new ATOM 0 HZ2 LYS A 39 53.943 -0.568 7.942 1.00 20.00 H new ATOM 0 HZ3 LYS A 39 53.930 -1.761 6.734 1.00 20.00 H new ATOM 587 N GLN A 40 50.289 3.290 2.145 1.00 0.00 N ATOM 588 CA GLN A 40 50.320 3.569 0.714 1.00 0.00 C ATOM 589 C GLN A 40 51.691 3.278 0.115 1.00 0.00 C ATOM 590 O GLN A 40 52.722 3.508 0.748 1.00 0.00 O ATOM 591 CB GLN A 40 49.937 5.024 0.444 1.00 0.00 C ATOM 592 CG GLN A 40 49.852 5.364 -1.037 1.00 0.00 C ATOM 593 CD GLN A 40 49.561 6.832 -1.283 1.00 0.00 C ATOM 594 OE1 GLN A 40 48.404 7.116 -1.868 1.00 0.00 O flip ATOM 595 NE2 GLN A 40 50.368 7.699 -0.951 1.00 0.00 N flip ATOM 0 H GLN A 40 50.849 3.925 2.714 1.00 0.00 H new ATOM 0 HA GLN A 40 49.594 2.910 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 40 48.975 5.231 0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 40 50.669 5.678 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 40 50.791 5.098 -1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 40 49.072 4.760 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 40 51.246 7.434 -0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 40 50.159 8.683 -1.123 1.00 0.00 H new ATOM 604 N GLU A 41 51.688 2.786 -1.117 1.00 0.00 N ATOM 605 CA GLU A 41 52.906 2.474 -1.822 1.00 0.00 C ATOM 606 C GLU A 41 53.178 3.490 -2.909 1.00 0.00 C ATOM 607 O GLU A 41 52.290 3.887 -3.666 1.00 0.00 O ATOM 608 CB GLU A 41 52.849 1.090 -2.455 1.00 0.00 C ATOM 609 CG GLU A 41 54.055 0.813 -3.335 1.00 0.00 C ATOM 610 CD GLU A 41 55.323 0.580 -2.537 1.00 0.00 C ATOM 611 OE1 GLU A 41 55.218 0.218 -1.346 1.00 0.00 O ATOM 612 OE2 GLU A 41 56.422 0.766 -3.102 1.00 0.00 O ATOM 0 H GLU A 41 50.838 2.595 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 41 53.709 2.498 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 41 52.793 0.335 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 41 51.939 1.001 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 41 53.854 -0.062 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 41 54.206 1.654 -4.012 1.00 0.00 H new ATOM 619 N LYS A 42 54.426 3.874 -2.983 1.00 0.00 N ATOM 620 CA LYS A 42 54.899 4.825 -3.979 1.00 0.00 C ATOM 621 C LYS A 42 56.245 4.399 -4.531 1.00 0.00 C ATOM 622 O LYS A 42 57.168 4.068 -3.786 1.00 0.00 O ATOM 623 CB LYS A 42 55.005 6.228 -3.397 1.00 0.00 C ATOM 624 CG LYS A 42 55.428 7.280 -4.409 1.00 0.00 C ATOM 625 CD LYS A 42 55.695 8.618 -3.740 1.00 0.00 C ATOM 626 CE LYS A 42 55.880 9.726 -4.763 1.00 0.00 C ATOM 627 NZ LYS A 42 57.301 10.162 -4.861 1.00 0.00 N ATOM 0 H LYS A 42 55.155 3.538 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 42 54.169 4.840 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 42 54.041 6.510 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 42 55.722 6.218 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 42 56.326 6.946 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 42 54.648 7.397 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 42 54.865 8.867 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.587 8.543 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.539 9.380 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.257 10.578 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 57.384 10.919 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.620 10.517 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.893 9.355 -5.145 1.00 0.00 H new ATOM 641 N CYS A 43 56.340 4.411 -5.844 1.00 0.00 N ATOM 642 CA CYS A 43 57.566 4.025 -6.531 1.00 0.00 C ATOM 643 C CYS A 43 58.061 5.141 -7.450 1.00 0.00 C ATOM 644 O CYS A 43 57.277 5.974 -7.908 1.00 0.00 O ATOM 645 CB CYS A 43 57.333 2.741 -7.323 1.00 0.00 C ATOM 646 SG CYS A 43 56.561 1.411 -6.344 1.00 0.00 S ATOM 0 H CYS A 43 55.579 4.685 -6.466 1.00 0.00 H new ATOM 0 HA CYS A 43 58.338 3.847 -5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 43 56.700 2.963 -8.182 1.00 0.00 H new ATOM 0 HB3 CYS A 43 58.287 2.387 -7.714 1.00 0.00 H new ATOM 651 N ALA A 44 59.367 5.158 -7.706 1.00 0.00 N ATOM 652 CA ALA A 44 59.970 6.180 -8.558 1.00 0.00 C ATOM 653 C ALA A 44 60.165 5.691 -9.993 1.00 0.00 C ATOM 654 O ALA A 44 60.454 4.518 -10.226 1.00 0.00 O ATOM 655 CB ALA A 44 61.297 6.630 -7.967 1.00 0.00 C ATOM 0 H ALA A 44 60.028 4.475 -7.335 1.00 0.00 H new ATOM 0 HA ALA A 44 59.283 7.026 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 44 61.741 7.392 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 44 61.131 7.044 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 44 61.972 5.777 -7.897 1.00 0.00 H new ATOM 661 N PRO A 45 60.020 6.601 -10.975 1.00 0.00 N ATOM 662 CA PRO A 45 60.189 6.288 -12.397 1.00 0.00 C ATOM 663 C PRO A 45 61.639 6.055 -12.768 1.00 0.00 C ATOM 664 O PRO A 45 62.520 5.998 -11.910 1.00 0.00 O ATOM 665 CB PRO A 45 59.642 7.523 -13.128 1.00 0.00 C ATOM 666 CG PRO A 45 59.022 8.380 -12.073 1.00 0.00 C ATOM 667 CD PRO A 45 59.692 8.017 -10.780 1.00 0.00 C ATOM 0 HA PRO A 45 59.671 5.367 -12.663 1.00 0.00 H new ATOM 0 HB2 PRO A 45 60.440 8.056 -13.646 1.00 0.00 H new ATOM 0 HB3 PRO A 45 58.908 7.238 -13.881 1.00 0.00 H new ATOM 0 HG2 PRO A 45 59.163 9.437 -12.299 1.00 0.00 H new ATOM 0 HG3 PRO A 45 57.947 8.207 -12.015 1.00 0.00 H new ATOM 0 HD2 PRO A 45 60.583 8.619 -10.603 1.00 0.00 H new ATOM 0 HD3 PRO A 45 59.032 8.166 -9.926 1.00 0.00 H new ATOM 675 N LEU A 46 61.865 5.886 -14.062 1.00 0.00 N ATOM 676 CA LEU A 46 63.191 5.616 -14.587 1.00 0.00 C ATOM 677 C LEU A 46 63.626 6.700 -15.554 1.00 0.00 C ATOM 678 O LEU A 46 64.530 7.495 -15.287 1.00 0.00 O ATOM 679 CB LEU A 46 63.245 4.249 -15.317 1.00 0.00 C ATOM 680 CG LEU A 46 62.533 3.046 -14.671 1.00 0.00 C ATOM 681 CD1 LEU A 46 63.476 1.868 -14.582 1.00 0.00 C ATOM 682 CD2 LEU A 46 61.944 3.378 -13.315 1.00 0.00 C ATOM 0 H LEU A 46 61.136 5.932 -14.774 1.00 0.00 H new ATOM 0 HA LEU A 46 63.868 5.594 -13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 46 62.825 4.388 -16.313 1.00 0.00 H new ATOM 0 HB3 LEU A 46 64.294 3.983 -15.447 1.00 0.00 H new ATOM 0 HG LEU A 46 61.694 2.780 -15.314 1.00 0.00 H new ATOM 0 HD11 LEU A 46 62.961 1.024 -14.124 1.00 0.00 H new ATOM 0 HD12 LEU A 46 63.808 1.591 -15.583 1.00 0.00 H new ATOM 0 HD13 LEU A 46 64.340 2.139 -13.975 1.00 0.00 H new ATOM 0 HD21 LEU A 46 61.454 2.495 -12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 46 62.739 3.698 -12.641 1.00 0.00 H new ATOM 0 HD23 LEU A 46 61.214 4.181 -13.422 1.00 0.00 H new ATOM 694 N ALA A 47 62.988 6.670 -16.694 1.00 0.00 N ATOM 695 CA ALA A 47 63.264 7.576 -17.799 1.00 0.00 C ATOM 696 C ALA A 47 62.419 8.836 -17.770 1.00 0.00 C ATOM 697 O ALA A 47 62.744 9.832 -18.415 1.00 0.00 O ATOM 698 CB ALA A 47 63.037 6.827 -19.101 1.00 0.00 C ATOM 0 H ALA A 47 62.243 6.003 -16.894 1.00 0.00 H new ATOM 0 HA ALA A 47 64.299 7.905 -17.708 1.00 0.00 H new ATOM 0 HB1 ALA A 47 63.239 7.490 -19.942 1.00 0.00 H new ATOM 0 HB2 ALA A 47 63.706 5.968 -19.148 1.00 0.00 H new ATOM 0 HB3 ALA A 47 62.003 6.485 -19.149 1.00 0.00 H new ATOM 704 N GLU A 48 61.322 8.760 -17.054 1.00 0.00 N ATOM 705 CA GLU A 48 60.365 9.865 -16.949 1.00 0.00 C ATOM 706 C GLU A 48 59.317 9.736 -18.041 1.00 0.00 C ATOM 707 O GLU A 48 58.126 9.962 -17.827 1.00 0.00 O ATOM 708 CB GLU A 48 61.067 11.222 -17.038 1.00 0.00 C ATOM 709 CG GLU A 48 60.160 12.397 -16.712 1.00 0.00 C ATOM 710 CD GLU A 48 60.857 13.732 -16.878 1.00 0.00 C ATOM 711 OE1 GLU A 48 62.037 13.741 -17.288 1.00 0.00 O ATOM 712 OE2 GLU A 48 60.222 14.771 -16.596 1.00 0.00 O ATOM 0 H GLU A 48 61.056 7.932 -16.521 1.00 0.00 H new ATOM 0 HA GLU A 48 59.881 9.810 -15.974 1.00 0.00 H new ATOM 0 HB2 GLU A 48 61.916 11.228 -16.355 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.467 11.350 -18.044 1.00 0.00 H new ATOM 0 HG2 GLU A 48 59.283 12.366 -17.359 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.803 12.302 -15.687 1.00 0.00 H new ATOM 719 N ASP A 49 59.790 9.319 -19.190 1.00 0.00 N ATOM 720 CA ASP A 49 58.953 9.075 -20.357 1.00 0.00 C ATOM 721 C ASP A 49 59.191 7.649 -20.848 1.00 0.00 C ATOM 722 O ASP A 49 58.764 7.264 -21.936 1.00 0.00 O ATOM 723 CB ASP A 49 59.252 10.085 -21.468 1.00 0.00 C ATOM 724 CG ASP A 49 58.756 11.479 -21.133 1.00 0.00 C ATOM 725 OD1 ASP A 49 58.108 11.640 -20.078 1.00 0.00 O ATOM 726 OD2 ASP A 49 59.014 12.407 -21.928 1.00 0.00 O ATOM 0 H ASP A 49 60.780 9.135 -19.351 1.00 0.00 H new ATOM 0 HA ASP A 49 57.906 9.196 -20.079 1.00 0.00 H new ATOM 0 HB2 ASP A 49 60.327 10.118 -21.645 1.00 0.00 H new ATOM 0 HB3 ASP A 49 58.786 9.750 -22.395 1.00 0.00 H new ATOM 731 N CYS A 50 59.894 6.884 -20.012 1.00 0.00 N ATOM 732 CA CYS A 50 60.236 5.494 -20.289 1.00 0.00 C ATOM 733 C CYS A 50 59.063 4.741 -20.916 1.00 0.00 C ATOM 734 O CYS A 50 57.902 5.062 -20.664 1.00 0.00 O ATOM 735 CB CYS A 50 60.669 4.821 -18.977 1.00 0.00 C ATOM 736 SG CYS A 50 59.970 5.621 -17.483 1.00 0.00 S ATOM 0 H CYS A 50 60.244 7.219 -19.114 1.00 0.00 H new ATOM 0 HA CYS A 50 61.054 5.468 -21.009 1.00 0.00 H new ATOM 0 HB2 CYS A 50 60.364 3.775 -18.996 1.00 0.00 H new ATOM 0 HB3 CYS A 50 61.757 4.835 -18.912 1.00 0.00 H new ATOM 741 N ALA A 51 59.376 3.735 -21.735 1.00 0.00 N ATOM 742 CA ALA A 51 58.347 2.934 -22.393 1.00 0.00 C ATOM 743 C ALA A 51 57.612 2.046 -21.399 1.00 0.00 C ATOM 744 O ALA A 51 56.629 1.385 -21.736 1.00 0.00 O ATOM 745 CB ALA A 51 58.951 2.099 -23.513 1.00 0.00 C ATOM 0 H ALA A 51 60.332 3.458 -21.957 1.00 0.00 H new ATOM 0 HA ALA A 51 57.619 3.621 -22.826 1.00 0.00 H new ATOM 0 HB1 ALA A 51 58.168 1.510 -23.990 1.00 0.00 H new ATOM 0 HB2 ALA A 51 59.410 2.757 -24.250 1.00 0.00 H new ATOM 0 HB3 ALA A 51 59.708 1.431 -23.101 1.00 0.00 H new ATOM 751 N LEU A 52 58.093 2.059 -20.173 1.00 0.00 N ATOM 752 CA LEU A 52 57.501 1.283 -19.092 1.00 0.00 C ATOM 753 C LEU A 52 57.638 -0.210 -19.342 1.00 0.00 C ATOM 754 O LEU A 52 56.746 -0.851 -19.899 1.00 0.00 O ATOM 755 CB LEU A 52 56.036 1.666 -18.909 1.00 0.00 C ATOM 756 CG LEU A 52 55.767 3.170 -18.976 1.00 0.00 C ATOM 757 CD1 LEU A 52 54.447 3.503 -18.297 1.00 0.00 C ATOM 758 CD2 LEU A 52 56.922 3.951 -18.350 1.00 0.00 C ATOM 0 H LEU A 52 58.906 2.607 -19.893 1.00 0.00 H new ATOM 0 HA LEU A 52 58.042 1.514 -18.174 1.00 0.00 H new ATOM 0 HB2 LEU A 52 55.444 1.168 -19.677 1.00 0.00 H new ATOM 0 HB3 LEU A 52 55.691 1.289 -17.946 1.00 0.00 H new ATOM 0 HG LEU A 52 55.693 3.465 -20.023 1.00 0.00 H new ATOM 0 HD11 LEU A 52 54.270 4.577 -18.353 1.00 0.00 H new ATOM 0 HD12 LEU A 52 53.636 2.975 -18.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 54.488 3.196 -17.252 1.00 0.00 H new ATOM 0 HD21 LEU A 52 56.712 5.019 -18.407 1.00 0.00 H new ATOM 0 HD22 LEU A 52 57.035 3.659 -17.306 1.00 0.00 H new ATOM 0 HD23 LEU A 52 57.844 3.733 -18.890 1.00 0.00 H new ATOM 770 N VAL A 53 58.776 -0.745 -18.924 1.00 0.00 N ATOM 771 CA VAL A 53 59.080 -2.158 -19.087 1.00 0.00 C ATOM 772 C VAL A 53 58.423 -3.002 -17.999 1.00 0.00 C ATOM 773 O VAL A 53 58.348 -4.226 -18.105 1.00 0.00 O ATOM 774 CB VAL A 53 60.609 -2.387 -19.088 1.00 0.00 C ATOM 775 CG1 VAL A 53 61.295 -1.399 -18.149 1.00 0.00 C ATOM 776 CG2 VAL A 53 60.952 -3.823 -18.714 1.00 0.00 C ATOM 0 H VAL A 53 59.513 -0.212 -18.463 1.00 0.00 H new ATOM 0 HA VAL A 53 58.673 -2.473 -20.048 1.00 0.00 H new ATOM 0 HB VAL A 53 60.978 -2.214 -20.099 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.371 -1.573 -18.161 1.00 0.00 H new ATOM 0 HG12 VAL A 53 61.088 -0.381 -18.478 1.00 0.00 H new ATOM 0 HG13 VAL A 53 60.916 -1.537 -17.136 1.00 0.00 H new ATOM 0 HG21 VAL A 53 62.034 -3.953 -18.723 1.00 0.00 H new ATOM 0 HG22 VAL A 53 60.569 -4.041 -17.717 1.00 0.00 H new ATOM 0 HG23 VAL A 53 60.499 -4.505 -19.434 1.00 0.00 H new ATOM 786 N VAL A 54 57.933 -2.335 -16.977 1.00 0.00 N ATOM 787 CA VAL A 54 57.253 -3.011 -15.877 1.00 0.00 C ATOM 788 C VAL A 54 55.905 -2.370 -15.589 1.00 0.00 C ATOM 789 O VAL A 54 55.787 -1.147 -15.557 1.00 0.00 O ATOM 790 CB VAL A 54 58.077 -3.008 -14.581 1.00 0.00 C ATOM 791 CG1 VAL A 54 57.306 -3.702 -13.465 1.00 0.00 C ATOM 792 CG2 VAL A 54 59.430 -3.669 -14.794 1.00 0.00 C ATOM 0 H VAL A 54 57.990 -1.321 -16.878 1.00 0.00 H new ATOM 0 HA VAL A 54 57.118 -4.043 -16.202 1.00 0.00 H new ATOM 0 HB VAL A 54 58.254 -1.973 -14.289 1.00 0.00 H new ATOM 0 HG11 VAL A 54 57.901 -3.693 -12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 54 56.366 -3.177 -13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 54 57.098 -4.733 -13.753 1.00 0.00 H new ATOM 0 HG21 VAL A 54 59.993 -3.654 -13.861 1.00 0.00 H new ATOM 0 HG22 VAL A 54 59.285 -4.701 -15.113 1.00 0.00 H new ATOM 0 HG23 VAL A 54 59.983 -3.127 -15.561 1.00 0.00 H new ATOM 802 N LYS A 55 54.901 -3.212 -15.375 1.00 0.00 N ATOM 803 CA LYS A 55 53.548 -2.759 -15.082 1.00 0.00 C ATOM 804 C LYS A 55 52.551 -3.894 -15.271 1.00 0.00 C ATOM 805 O LYS A 55 52.589 -4.607 -16.272 1.00 0.00 O ATOM 806 CB LYS A 55 53.159 -1.588 -15.982 1.00 0.00 C ATOM 807 CG LYS A 55 51.729 -1.125 -15.781 1.00 0.00 C ATOM 808 CD LYS A 55 51.407 0.065 -16.665 1.00 0.00 C ATOM 809 CE LYS A 55 51.558 -0.283 -18.138 1.00 0.00 C ATOM 810 NZ LYS A 55 51.317 0.895 -19.015 1.00 0.00 N ATOM 0 H LYS A 55 55.002 -4.227 -15.400 1.00 0.00 H new ATOM 0 HA LYS A 55 53.526 -2.430 -14.043 1.00 0.00 H new ATOM 0 HB2 LYS A 55 53.834 -0.753 -15.792 1.00 0.00 H new ATOM 0 HB3 LYS A 55 53.296 -1.878 -17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 55 51.044 -1.943 -16.005 1.00 0.00 H new ATOM 0 HG3 LYS A 55 51.574 -0.857 -14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 55 50.388 0.400 -16.471 1.00 0.00 H new ATOM 0 HD3 LYS A 55 52.068 0.895 -16.416 1.00 0.00 H new ATOM 0 HE2 LYS A 55 52.561 -0.671 -18.318 1.00 0.00 H new ATOM 0 HE3 LYS A 55 50.858 -1.077 -18.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 50.931 0.576 -19.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 50.638 1.536 -18.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 52.213 1.397 -19.176 1.00 0.00 H new ATOM 824 N GLN A 56 51.657 -4.053 -14.304 1.00 0.00 N ATOM 825 CA GLN A 56 50.647 -5.100 -14.372 1.00 0.00 C ATOM 826 C GLN A 56 49.255 -4.502 -14.537 1.00 0.00 C ATOM 827 O GLN A 56 49.024 -3.336 -14.220 1.00 0.00 O ATOM 828 CB GLN A 56 50.693 -5.981 -13.125 1.00 0.00 C ATOM 829 CG GLN A 56 52.030 -6.673 -12.918 1.00 0.00 C ATOM 830 CD GLN A 56 52.031 -7.581 -11.706 1.00 0.00 C ATOM 831 OE1 GLN A 56 51.125 -7.527 -10.875 1.00 0.00 O ATOM 832 NE2 GLN A 56 53.050 -8.426 -11.599 1.00 0.00 N ATOM 0 H GLN A 56 51.611 -3.473 -13.466 1.00 0.00 H new ATOM 0 HA GLN A 56 50.866 -5.717 -15.243 1.00 0.00 H new ATOM 0 HB2 GLN A 56 50.470 -5.370 -12.250 1.00 0.00 H new ATOM 0 HB3 GLN A 56 49.910 -6.736 -13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 56 52.275 -7.257 -13.805 1.00 0.00 H new ATOM 0 HG3 GLN A 56 52.811 -5.921 -12.805 1.00 0.00 H new ATOM 0 HE21 GLN A 56 53.780 -8.437 -12.311 1.00 0.00 H new ATOM 0 HE22 GLN A 56 53.103 -9.064 -10.805 1.00 0.00 H new ATOM 841 N THR A 57 48.335 -5.312 -15.042 1.00 0.00 N ATOM 842 CA THR A 57 46.962 -4.878 -15.263 1.00 0.00 C ATOM 843 C THR A 57 46.325 -4.346 -13.979 1.00 0.00 C ATOM 844 O THR A 57 45.518 -3.419 -14.021 1.00 0.00 O ATOM 845 CB THR A 57 46.135 -6.039 -15.820 1.00 0.00 C ATOM 846 OG1 THR A 57 46.759 -6.593 -16.965 1.00 0.00 O ATOM 847 CG2 THR A 57 44.729 -5.647 -16.210 1.00 0.00 C ATOM 0 H THR A 57 48.516 -6.280 -15.308 1.00 0.00 H new ATOM 0 HA THR A 57 46.979 -4.062 -15.986 1.00 0.00 H new ATOM 0 HB THR A 57 46.077 -6.764 -15.008 1.00 0.00 H new ATOM 0 HG1 THR A 57 46.217 -7.335 -17.306 1.00 0.00 H new ATOM 0 HG21 THR A 57 44.202 -6.519 -16.596 1.00 0.00 H new ATOM 0 HG22 THR A 57 44.203 -5.263 -15.336 1.00 0.00 H new ATOM 0 HG23 THR A 57 44.766 -4.876 -16.979 1.00 0.00 H new ATOM 855 N GLY A 58 46.677 -4.941 -12.839 1.00 0.00 N ATOM 856 CA GLY A 58 46.104 -4.502 -11.578 1.00 0.00 C ATOM 857 C GLY A 58 47.116 -4.401 -10.448 1.00 0.00 C ATOM 858 O GLY A 58 46.811 -4.753 -9.310 1.00 0.00 O ATOM 0 H GLY A 58 47.342 -5.711 -12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 58 45.635 -3.529 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 58 45.315 -5.196 -11.287 1.00 0.00 H new ATOM 862 N ALA A 59 48.314 -3.912 -10.752 1.00 0.00 N ATOM 863 CA ALA A 59 49.348 -3.762 -9.732 1.00 0.00 C ATOM 864 C ALA A 59 49.608 -2.293 -9.417 1.00 0.00 C ATOM 865 O ALA A 59 49.497 -1.431 -10.289 1.00 0.00 O ATOM 866 CB ALA A 59 50.639 -4.436 -10.163 1.00 0.00 C ATOM 0 H ALA A 59 48.592 -3.615 -11.687 1.00 0.00 H new ATOM 0 HA ALA A 59 48.984 -4.248 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 59 51.393 -4.310 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 59 50.458 -5.499 -10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 59 50.994 -3.984 -11.089 1.00 0.00 H new ATOM 872 N CYS A 60 49.965 -2.018 -8.168 1.00 0.00 N ATOM 873 CA CYS A 60 50.253 -0.657 -7.735 1.00 0.00 C ATOM 874 C CYS A 60 51.539 -0.150 -8.357 1.00 0.00 C ATOM 875 O CYS A 60 51.537 0.592 -9.340 1.00 0.00 O ATOM 876 CB CYS A 60 50.351 -0.599 -6.205 1.00 0.00 C ATOM 877 SG CYS A 60 51.380 0.766 -5.564 1.00 0.00 S ATOM 0 H CYS A 60 50.062 -2.722 -7.436 1.00 0.00 H new ATOM 0 HA CYS A 60 49.437 -0.015 -8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 60 49.347 -0.505 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 60 50.757 -1.544 -5.843 1.00 0.00 H new ATOM 882 N CYS A 61 52.624 -0.563 -7.753 1.00 0.00 N ATOM 883 CA CYS A 61 53.960 -0.177 -8.194 1.00 0.00 C ATOM 884 C CYS A 61 54.131 -0.376 -9.688 1.00 0.00 C ATOM 885 O CYS A 61 53.317 -1.030 -10.340 1.00 0.00 O ATOM 886 CB CYS A 61 55.030 -0.967 -7.437 1.00 0.00 C ATOM 887 SG CYS A 61 56.697 -0.231 -7.530 1.00 0.00 S ATOM 0 H CYS A 61 52.617 -1.178 -6.939 1.00 0.00 H new ATOM 0 HA CYS A 61 54.081 0.884 -7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 61 54.736 -1.046 -6.390 1.00 0.00 H new ATOM 0 HB3 CYS A 61 55.069 -1.981 -7.835 1.00 0.00 H new ATOM 892 N GLU A 62 55.183 0.222 -10.225 1.00 0.00 N ATOM 893 CA GLU A 62 55.460 0.146 -11.642 1.00 0.00 C ATOM 894 C GLU A 62 56.863 0.643 -11.958 1.00 0.00 C ATOM 895 O GLU A 62 57.243 1.752 -11.581 1.00 0.00 O ATOM 896 CB GLU A 62 54.443 0.993 -12.392 1.00 0.00 C ATOM 897 CG GLU A 62 54.631 0.986 -13.898 1.00 0.00 C ATOM 898 CD GLU A 62 53.727 1.981 -14.598 1.00 0.00 C ATOM 899 OE1 GLU A 62 52.872 2.586 -13.917 1.00 0.00 O ATOM 900 OE2 GLU A 62 53.879 2.163 -15.824 1.00 0.00 O ATOM 0 H GLU A 62 55.860 0.768 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 62 55.391 -0.896 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 53.441 0.632 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.504 2.020 -12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 62 55.670 1.216 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 62 54.431 -0.015 -14.282 1.00 0.00 H new ATOM 907 N LYS A 63 57.610 -0.163 -12.693 1.00 0.00 N ATOM 908 CA LYS A 63 58.953 0.211 -13.113 1.00 0.00 C ATOM 909 C LYS A 63 58.886 0.543 -14.585 1.00 0.00 C ATOM 910 O LYS A 63 57.872 0.278 -15.230 1.00 0.00 O ATOM 911 CB LYS A 63 59.965 -0.916 -12.877 1.00 0.00 C ATOM 912 CG LYS A 63 61.412 -0.457 -12.889 1.00 0.00 C ATOM 913 CD LYS A 63 62.367 -1.604 -12.589 1.00 0.00 C ATOM 914 CE LYS A 63 63.786 -1.107 -12.382 1.00 0.00 C ATOM 915 NZ LYS A 63 64.455 -1.793 -11.242 1.00 0.00 N ATOM 0 H LYS A 63 57.310 -1.084 -13.013 1.00 0.00 H new ATOM 0 HA LYS A 63 59.292 1.064 -12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 59.752 -1.387 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 63 59.830 -1.679 -13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 63 61.651 -0.030 -13.863 1.00 0.00 H new ATOM 0 HG3 LYS A 63 61.549 0.334 -12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 63 62.032 -2.134 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 63 62.347 -2.320 -13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 63 64.363 -1.269 -13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 63 63.771 -0.032 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 65.422 -1.425 -11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 63.919 -1.618 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 64.493 -2.816 -11.426 1.00 0.00 H new ATOM 929 N CYS A 64 59.929 1.124 -15.131 1.00 0.00 N ATOM 930 CA CYS A 64 59.884 1.460 -16.538 1.00 0.00 C ATOM 931 C CYS A 64 61.223 1.376 -17.243 1.00 0.00 C ATOM 932 O CYS A 64 62.238 1.044 -16.641 1.00 0.00 O ATOM 933 CB CYS A 64 59.282 2.836 -16.758 1.00 0.00 C ATOM 934 SG CYS A 64 60.155 4.230 -16.034 1.00 0.00 S ATOM 0 H CYS A 64 60.792 1.368 -14.644 1.00 0.00 H new ATOM 0 HA CYS A 64 59.246 0.697 -16.984 1.00 0.00 H new ATOM 0 HB2 CYS A 64 59.205 3.005 -17.832 1.00 0.00 H new ATOM 0 HB3 CYS A 64 58.266 2.829 -16.363 1.00 0.00 H new ATOM 939 N LYS A 65 61.174 1.694 -18.540 1.00 0.00 N ATOM 940 CA LYS A 65 62.335 1.693 -19.432 1.00 0.00 C ATOM 941 C LYS A 65 62.033 0.985 -20.744 1.00 0.00 C ATOM 942 O LYS A 65 62.869 0.936 -21.645 1.00 0.00 O ATOM 943 CB LYS A 65 63.557 1.038 -18.791 1.00 0.00 C ATOM 944 CG LYS A 65 64.370 1.963 -17.903 1.00 0.00 C ATOM 945 CD LYS A 65 65.536 1.219 -17.268 1.00 0.00 C ATOM 946 CE LYS A 65 66.414 2.137 -16.435 1.00 0.00 C ATOM 947 NZ LYS A 65 67.350 1.365 -15.570 1.00 0.00 N ATOM 0 H LYS A 65 60.309 1.964 -19.007 1.00 0.00 H new ATOM 0 HA LYS A 65 62.560 2.742 -19.627 1.00 0.00 H new ATOM 0 HB2 LYS A 65 63.228 0.183 -18.200 1.00 0.00 H new ATOM 0 HB3 LYS A 65 64.202 0.651 -19.580 1.00 0.00 H new ATOM 0 HG2 LYS A 65 64.745 2.801 -18.490 1.00 0.00 H new ATOM 0 HG3 LYS A 65 63.732 2.380 -17.124 1.00 0.00 H new ATOM 0 HD2 LYS A 65 65.153 0.415 -16.639 1.00 0.00 H new ATOM 0 HD3 LYS A 65 66.137 0.754 -18.049 1.00 0.00 H new ATOM 0 HE2 LYS A 65 66.983 2.793 -17.094 1.00 0.00 H new ATOM 0 HE3 LYS A 65 65.787 2.776 -15.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 67.934 2.024 -15.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 66.805 0.758 -14.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 67.965 0.774 -16.165 1.00 0.00 H new ATOM 961 N GLY A 66 60.838 0.439 -20.838 1.00 0.00 N ATOM 962 CA GLY A 66 60.433 -0.268 -22.039 1.00 0.00 C ATOM 963 C GLY A 66 61.283 -1.497 -22.303 1.00 0.00 C ATOM 964 O GLY A 66 60.710 -2.602 -22.411 1.00 0.00 O ATOM 965 OXT GLY A 66 62.519 -1.355 -22.398 1.00 0.00 O ATOM 0 H GLY A 66 60.132 0.470 -20.102 1.00 0.00 H new ATOM 0 HA2 GLY A 66 59.388 -0.565 -21.947 1.00 0.00 H new ATOM 0 HA3 GLY A 66 60.499 0.406 -22.893 1.00 0.00 H new TER 969 GLY A 66