USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 640 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -173:sc= 0.267 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 56:sc= 0.212 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= -1.11 (180deg=-2.49) USER MOD Single : A 30 GLN : amide:sc= -0.962 K(o=-0.96,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.323 (180deg=-0.787) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 43 GLN : amide:sc= -5! C(o=-5!,f=-10!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.93 X(o=-2.9,f=-3.3!) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= -0.0343 (180deg=-0.385) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.779 K(o=-0.78,f=-5.2!) USER MOD Single : A 70 THR OG1 : rot 119:sc= -1.32 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.025) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -145:sc= -1.91 (180deg=-8.68!) USER MOD Single : A 75 MET CE :methyl 179:sc= 0 (180deg=-0.00253) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.902 1.170 -3.056 1.00 52.32 N ATOM 19 CA ALA A 2 5.611 2.410 -3.347 1.00 51.13 C ATOM 20 C ALA A 2 4.647 3.499 -3.807 1.00 62.31 C ATOM 21 O ALA A 2 3.644 3.217 -4.463 1.00 54.15 O ATOM 22 CB ALA A 2 6.682 2.171 -4.401 1.00 73.34 C ATOM 0 HA ALA A 2 6.090 2.750 -2.429 1.00 51.13 H new ATOM 0 HB1 ALA A 2 7.203 3.106 -4.608 1.00 73.34 H new ATOM 0 HB2 ALA A 2 7.394 1.432 -4.035 1.00 73.34 H new ATOM 0 HB3 ALA A 2 6.217 1.804 -5.316 1.00 73.34 H new ATOM 28 N LEU A 3 4.957 4.743 -3.458 1.00 62.55 N ATOM 29 CA LEU A 3 4.118 5.875 -3.835 1.00 73.52 C ATOM 30 C LEU A 3 4.779 6.701 -4.933 1.00 52.14 C ATOM 31 O LEU A 3 5.784 7.377 -4.715 1.00 43.43 O ATOM 32 CB LEU A 3 3.838 6.755 -2.616 1.00 43.52 C ATOM 33 CG LEU A 3 2.367 6.928 -2.236 1.00 24.13 C ATOM 34 CD1 LEU A 3 2.234 7.815 -1.008 1.00 1.03 C ATOM 35 CD2 LEU A 3 1.579 7.506 -3.402 1.00 1.32 C ATOM 0 H LEU A 3 5.783 4.993 -2.915 1.00 62.55 H new ATOM 0 HA LEU A 3 3.175 5.485 -4.218 1.00 73.52 H new ATOM 0 HB2 LEU A 3 4.366 6.334 -1.760 1.00 43.52 H new ATOM 0 HB3 LEU A 3 4.263 7.742 -2.800 1.00 43.52 H new ATOM 0 HG LEU A 3 1.956 5.947 -1.997 1.00 24.13 H new ATOM 0 HD11 LEU A 3 1.180 7.927 -0.752 1.00 1.03 H new ATOM 0 HD12 LEU A 3 2.764 7.360 -0.171 1.00 1.03 H new ATOM 0 HD13 LEU A 3 2.662 8.795 -1.219 1.00 1.03 H new ATOM 0 HD21 LEU A 3 0.534 7.622 -3.113 1.00 1.32 H new ATOM 0 HD22 LEU A 3 1.991 8.478 -3.673 1.00 1.32 H new ATOM 0 HD23 LEU A 3 1.647 6.832 -4.256 1.00 1.32 H new ATOM 47 N PRO A 4 4.201 6.649 -6.143 1.00 22.22 N ATOM 48 CA PRO A 4 4.716 7.389 -7.299 1.00 30.13 C ATOM 49 C PRO A 4 4.515 8.894 -7.160 1.00 0.03 C ATOM 50 O PRO A 4 3.632 9.347 -6.430 1.00 63.12 O ATOM 51 CB PRO A 4 3.888 6.844 -8.466 1.00 4.53 C ATOM 52 CG PRO A 4 2.624 6.364 -7.842 1.00 12.23 C ATOM 53 CD PRO A 4 3.001 5.863 -6.475 1.00 14.42 C ATOM 0 HA PRO A 4 5.791 7.256 -7.422 1.00 30.13 H new ATOM 0 HB2 PRO A 4 3.694 7.618 -9.209 1.00 4.53 H new ATOM 0 HB3 PRO A 4 4.409 6.035 -8.977 1.00 4.53 H new ATOM 0 HG2 PRO A 4 1.892 7.169 -7.774 1.00 12.23 H new ATOM 0 HG3 PRO A 4 2.172 5.571 -8.437 1.00 12.23 H new ATOM 0 HD2 PRO A 4 2.201 6.026 -5.753 1.00 14.42 H new ATOM 0 HD3 PRO A 4 3.211 4.793 -6.483 1.00 14.42 H new ATOM 61 N ILE A 5 5.338 9.664 -7.864 1.00 23.35 N ATOM 62 CA ILE A 5 5.249 11.118 -7.819 1.00 71.20 C ATOM 63 C ILE A 5 5.720 11.738 -9.130 1.00 72.12 C ATOM 64 O ILE A 5 6.733 11.324 -9.695 1.00 53.44 O ATOM 65 CB ILE A 5 6.083 11.698 -6.661 1.00 74.13 C ATOM 66 CG1 ILE A 5 5.609 11.123 -5.325 1.00 21.22 C ATOM 67 CG2 ILE A 5 5.992 13.217 -6.652 1.00 70.44 C ATOM 68 CD1 ILE A 5 6.344 11.688 -4.129 1.00 71.15 C ATOM 0 H ILE A 5 6.074 9.305 -8.472 1.00 23.35 H new ATOM 0 HA ILE A 5 4.199 11.365 -7.659 1.00 71.20 H new ATOM 0 HB ILE A 5 7.126 11.417 -6.807 1.00 74.13 H new ATOM 0 HG12 ILE A 5 4.543 11.319 -5.212 1.00 21.22 H new ATOM 0 HG13 ILE A 5 5.734 10.040 -5.340 1.00 21.22 H new ATOM 0 HG21 ILE A 5 6.586 13.612 -5.828 1.00 70.44 H new ATOM 0 HG22 ILE A 5 6.372 13.610 -7.595 1.00 70.44 H new ATOM 0 HG23 ILE A 5 4.952 13.518 -6.526 1.00 70.44 H new ATOM 0 HD11 ILE A 5 5.956 11.235 -3.216 1.00 71.15 H new ATOM 0 HD12 ILE A 5 7.408 11.469 -4.219 1.00 71.15 H new ATOM 0 HD13 ILE A 5 6.198 12.767 -4.089 1.00 71.15 H new ATOM 80 N ILE A 6 4.979 12.733 -9.607 1.00 64.33 N ATOM 81 CA ILE A 6 5.323 13.412 -10.850 1.00 60.14 C ATOM 82 C ILE A 6 6.131 14.676 -10.581 1.00 3.54 C ATOM 83 O ILE A 6 5.859 15.409 -9.630 1.00 11.44 O ATOM 84 CB ILE A 6 4.064 13.783 -11.656 1.00 31.02 C ATOM 85 CG1 ILE A 6 3.484 12.542 -12.338 1.00 45.24 C ATOM 86 CG2 ILE A 6 4.390 14.856 -12.684 1.00 11.12 C ATOM 87 CD1 ILE A 6 1.994 12.382 -12.136 1.00 21.43 C ATOM 0 H ILE A 6 4.137 13.086 -9.152 1.00 64.33 H new ATOM 0 HA ILE A 6 5.926 12.716 -11.433 1.00 60.14 H new ATOM 0 HB ILE A 6 3.316 14.180 -10.970 1.00 31.02 H new ATOM 0 HG12 ILE A 6 3.694 12.593 -13.406 1.00 45.24 H new ATOM 0 HG13 ILE A 6 3.991 11.657 -11.955 1.00 45.24 H new ATOM 0 HG21 ILE A 6 3.490 15.107 -13.245 1.00 11.12 H new ATOM 0 HG22 ILE A 6 4.761 15.746 -12.176 1.00 11.12 H new ATOM 0 HG23 ILE A 6 5.153 14.484 -13.368 1.00 11.12 H new ATOM 0 HD11 ILE A 6 1.652 11.482 -12.647 1.00 21.43 H new ATOM 0 HD12 ILE A 6 1.778 12.299 -11.071 1.00 21.43 H new ATOM 0 HD13 ILE A 6 1.476 13.250 -12.545 1.00 21.43 H new ATOM 99 N VAL A 7 7.127 14.928 -11.425 1.00 75.32 N ATOM 100 CA VAL A 7 7.973 16.106 -11.280 1.00 64.32 C ATOM 101 C VAL A 7 8.032 16.903 -12.578 1.00 42.31 C ATOM 102 O VAL A 7 8.406 16.378 -13.627 1.00 33.41 O ATOM 103 CB VAL A 7 9.405 15.720 -10.862 1.00 73.13 C ATOM 104 CG1 VAL A 7 10.038 14.809 -11.903 1.00 33.33 C ATOM 105 CG2 VAL A 7 10.251 16.966 -10.647 1.00 74.14 C ATOM 0 H VAL A 7 7.367 14.331 -12.217 1.00 75.32 H new ATOM 0 HA VAL A 7 7.528 16.722 -10.499 1.00 64.32 H new ATOM 0 HB VAL A 7 9.355 15.175 -9.919 1.00 73.13 H new ATOM 0 HG11 VAL A 7 11.049 14.547 -11.591 1.00 33.33 H new ATOM 0 HG12 VAL A 7 9.442 13.902 -12.003 1.00 33.33 H new ATOM 0 HG13 VAL A 7 10.077 15.325 -12.862 1.00 33.33 H new ATOM 0 HG21 VAL A 7 11.259 16.675 -10.352 1.00 74.14 H new ATOM 0 HG22 VAL A 7 10.295 17.540 -11.573 1.00 74.14 H new ATOM 0 HG23 VAL A 7 9.806 17.577 -9.862 1.00 74.14 H new ATOM 115 N LYS A 8 7.661 18.177 -12.501 1.00 22.23 N ATOM 116 CA LYS A 8 7.673 19.050 -13.668 1.00 72.14 C ATOM 117 C LYS A 8 8.791 20.082 -13.565 1.00 22.00 C ATOM 118 O LYS A 8 8.846 20.857 -12.610 1.00 45.23 O ATOM 119 CB LYS A 8 6.324 19.757 -13.815 1.00 53.34 C ATOM 120 CG LYS A 8 6.021 20.729 -12.688 1.00 55.12 C ATOM 121 CD LYS A 8 4.525 20.866 -12.457 1.00 51.11 C ATOM 122 CE LYS A 8 3.815 21.389 -13.696 1.00 41.34 C ATOM 123 NZ LYS A 8 3.116 22.677 -13.433 1.00 10.52 N ATOM 0 H LYS A 8 7.348 18.628 -11.641 1.00 22.23 H new ATOM 0 HA LYS A 8 7.852 18.434 -14.549 1.00 72.14 H new ATOM 0 HB2 LYS A 8 6.307 20.296 -14.763 1.00 53.34 H new ATOM 0 HB3 LYS A 8 5.534 19.008 -13.860 1.00 53.34 H new ATOM 0 HG2 LYS A 8 6.502 20.386 -11.772 1.00 55.12 H new ATOM 0 HG3 LYS A 8 6.445 21.705 -12.924 1.00 55.12 H new ATOM 0 HD2 LYS A 8 4.109 19.898 -12.179 1.00 51.11 H new ATOM 0 HD3 LYS A 8 4.345 21.542 -11.621 1.00 51.11 H new ATOM 0 HE2 LYS A 8 4.539 21.526 -14.499 1.00 41.34 H new ATOM 0 HE3 LYS A 8 3.094 20.648 -14.041 1.00 41.34 H new ATOM 0 HZ1 LYS A 8 2.645 23.000 -14.302 1.00 10.52 H new ATOM 0 HZ2 LYS A 8 2.407 22.541 -12.685 1.00 10.52 H new ATOM 0 HZ3 LYS A 8 3.808 23.391 -13.128 1.00 10.52 H new ATOM 137 N TRP A 9 9.679 20.087 -14.553 1.00 75.30 N ATOM 138 CA TRP A 9 10.795 21.025 -14.573 1.00 52.21 C ATOM 139 C TRP A 9 10.786 21.854 -15.853 1.00 11.55 C ATOM 140 O TRP A 9 11.176 21.376 -16.917 1.00 33.45 O ATOM 141 CB TRP A 9 12.121 20.274 -14.446 1.00 44.55 C ATOM 142 CG TRP A 9 13.291 21.038 -14.990 1.00 55.45 C ATOM 143 CD1 TRP A 9 14.115 20.658 -16.011 1.00 11.23 C ATOM 144 CD2 TRP A 9 13.766 22.312 -14.541 1.00 52.13 C ATOM 145 NE1 TRP A 9 15.074 21.619 -16.223 1.00 22.12 N ATOM 146 CE2 TRP A 9 14.881 22.644 -15.335 1.00 23.00 C ATOM 147 CE3 TRP A 9 13.357 23.205 -13.548 1.00 13.34 C ATOM 148 CZ2 TRP A 9 15.591 23.830 -15.163 1.00 35.31 C ATOM 149 CZ3 TRP A 9 14.062 24.382 -13.378 1.00 32.41 C ATOM 150 CH2 TRP A 9 15.168 24.686 -14.182 1.00 60.35 C ATOM 0 H TRP A 9 9.648 19.452 -15.351 1.00 75.30 H new ATOM 0 HA TRP A 9 10.686 21.700 -13.724 1.00 52.21 H new ATOM 0 HB2 TRP A 9 12.302 20.046 -13.396 1.00 44.55 H new ATOM 0 HB3 TRP A 9 12.043 19.322 -14.970 1.00 44.55 H new ATOM 0 HD1 TRP A 9 14.026 19.738 -16.569 1.00 11.23 H new ATOM 0 HE1 TRP A 9 15.810 21.576 -16.928 1.00 22.12 H new ATOM 0 HE3 TRP A 9 12.505 22.980 -12.924 1.00 13.34 H new ATOM 0 HZ2 TRP A 9 16.445 24.066 -15.781 1.00 35.31 H new ATOM 0 HZ3 TRP A 9 13.755 25.079 -12.612 1.00 32.41 H new ATOM 0 HH2 TRP A 9 15.698 25.614 -14.025 1.00 60.35 H new ATOM 161 N GLY A 10 10.338 23.102 -15.742 1.00 24.35 N ATOM 162 CA GLY A 10 10.288 23.977 -16.898 1.00 15.22 C ATOM 163 C GLY A 10 8.979 23.862 -17.655 1.00 5.30 C ATOM 164 O GLY A 10 8.092 24.701 -17.505 1.00 74.42 O ATOM 0 H GLY A 10 10.009 23.521 -14.872 1.00 24.35 H new ATOM 0 HA2 GLY A 10 10.428 25.009 -16.575 1.00 15.22 H new ATOM 0 HA3 GLY A 10 11.114 23.737 -17.568 1.00 15.22 H new ATOM 168 N GLY A 11 8.860 22.821 -18.473 1.00 63.20 N ATOM 169 CA GLY A 11 7.649 22.619 -19.246 1.00 13.40 C ATOM 170 C GLY A 11 7.413 21.161 -19.586 1.00 5.11 C ATOM 171 O GLY A 11 6.641 20.846 -20.491 1.00 21.54 O ATOM 0 H GLY A 11 9.581 22.114 -18.614 1.00 63.20 H new ATOM 0 HA2 GLY A 11 6.796 23.000 -18.685 1.00 13.40 H new ATOM 0 HA3 GLY A 11 7.709 23.198 -20.167 1.00 13.40 H new ATOM 175 N GLN A 12 8.082 20.271 -18.860 1.00 61.44 N ATOM 176 CA GLN A 12 7.943 18.838 -19.092 1.00 62.23 C ATOM 177 C GLN A 12 7.662 18.100 -17.788 1.00 24.25 C ATOM 178 O GLN A 12 8.256 18.402 -16.753 1.00 50.20 O ATOM 179 CB GLN A 12 9.209 18.280 -19.745 1.00 43.31 C ATOM 180 CG GLN A 12 9.318 18.594 -21.229 1.00 14.14 C ATOM 181 CD GLN A 12 9.144 17.365 -22.099 1.00 42.22 C ATOM 182 OE1 GLN A 12 8.082 16.742 -22.109 1.00 41.23 O ATOM 183 NE2 GLN A 12 10.190 17.009 -22.837 1.00 13.35 N ATOM 0 H GLN A 12 8.725 20.517 -18.107 1.00 61.44 H new ATOM 0 HA GLN A 12 7.099 18.685 -19.764 1.00 62.23 H new ATOM 0 HB2 GLN A 12 10.081 18.685 -19.232 1.00 43.31 H new ATOM 0 HB3 GLN A 12 9.232 17.199 -19.608 1.00 43.31 H new ATOM 0 HG2 GLN A 12 8.563 19.334 -21.496 1.00 14.14 H new ATOM 0 HG3 GLN A 12 10.290 19.043 -21.431 1.00 14.14 H new ATOM 0 HE21 GLN A 12 11.051 17.554 -22.798 1.00 13.35 H new ATOM 0 HE22 GLN A 12 10.132 16.190 -23.443 1.00 13.35 H new ATOM 192 N GLU A 13 6.754 17.131 -17.845 1.00 14.21 N ATOM 193 CA GLU A 13 6.394 16.351 -16.666 1.00 40.44 C ATOM 194 C GLU A 13 7.055 14.977 -16.701 1.00 62.52 C ATOM 195 O GLU A 13 7.177 14.361 -17.761 1.00 5.14 O ATOM 196 CB GLU A 13 4.875 16.196 -16.574 1.00 54.51 C ATOM 197 CG GLU A 13 4.138 17.514 -16.396 1.00 22.41 C ATOM 198 CD GLU A 13 2.650 17.325 -16.177 1.00 33.32 C ATOM 199 OE1 GLU A 13 2.112 16.286 -16.614 1.00 21.12 O ATOM 200 OE2 GLU A 13 2.023 18.217 -15.568 1.00 35.45 O ATOM 0 H GLU A 13 6.254 16.867 -18.694 1.00 14.21 H new ATOM 0 HA GLU A 13 6.751 16.885 -15.785 1.00 40.44 H new ATOM 0 HB2 GLU A 13 4.513 15.706 -17.478 1.00 54.51 H new ATOM 0 HB3 GLU A 13 4.635 15.539 -15.738 1.00 54.51 H new ATOM 0 HG2 GLU A 13 4.561 18.051 -15.547 1.00 22.41 H new ATOM 0 HG3 GLU A 13 4.296 18.136 -17.277 1.00 22.41 H new ATOM 207 N TYR A 14 7.480 14.502 -15.536 1.00 23.42 N ATOM 208 CA TYR A 14 8.132 13.201 -15.432 1.00 50.42 C ATOM 209 C TYR A 14 7.605 12.422 -14.231 1.00 73.14 C ATOM 210 O TYR A 14 7.770 12.839 -13.085 1.00 54.32 O ATOM 211 CB TYR A 14 9.647 13.375 -15.316 1.00 63.35 C ATOM 212 CG TYR A 14 10.280 14.000 -16.539 1.00 3.43 C ATOM 213 CD1 TYR A 14 10.256 15.376 -16.730 1.00 50.53 C ATOM 214 CD2 TYR A 14 10.902 13.216 -17.502 1.00 72.14 C ATOM 215 CE1 TYR A 14 10.832 15.953 -17.846 1.00 24.32 C ATOM 216 CE2 TYR A 14 11.482 13.784 -18.620 1.00 60.51 C ATOM 217 CZ TYR A 14 11.445 15.152 -18.787 1.00 54.14 C ATOM 218 OH TYR A 14 12.020 15.721 -19.900 1.00 42.32 O ATOM 0 H TYR A 14 7.385 14.998 -14.650 1.00 23.42 H new ATOM 0 HA TYR A 14 7.906 12.636 -16.336 1.00 50.42 H new ATOM 0 HB2 TYR A 14 9.868 13.994 -14.446 1.00 63.35 H new ATOM 0 HB3 TYR A 14 10.104 12.401 -15.138 1.00 63.35 H new ATOM 0 HD1 TYR A 14 9.779 16.006 -15.994 1.00 50.53 H new ATOM 0 HD2 TYR A 14 10.933 12.144 -17.375 1.00 72.14 H new ATOM 0 HE1 TYR A 14 10.802 17.024 -17.980 1.00 24.32 H new ATOM 0 HE2 TYR A 14 11.962 13.160 -19.359 1.00 60.51 H new ATOM 0 HH TYR A 14 12.410 15.019 -20.462 1.00 42.32 H new ATOM 228 N SER A 15 6.970 11.286 -14.504 1.00 0.23 N ATOM 229 CA SER A 15 6.415 10.448 -13.447 1.00 41.32 C ATOM 230 C SER A 15 7.492 9.554 -12.841 1.00 3.44 C ATOM 231 O SER A 15 8.256 8.908 -13.558 1.00 50.32 O ATOM 232 CB SER A 15 5.273 9.590 -13.995 1.00 10.23 C ATOM 233 OG SER A 15 5.519 9.209 -15.337 1.00 45.42 O ATOM 0 H SER A 15 6.827 10.925 -15.447 1.00 0.23 H new ATOM 0 HA SER A 15 6.027 11.101 -12.665 1.00 41.32 H new ATOM 0 HB2 SER A 15 5.154 8.700 -13.377 1.00 10.23 H new ATOM 0 HB3 SER A 15 4.337 10.145 -13.937 1.00 10.23 H new ATOM 0 HG SER A 15 4.775 8.660 -15.663 1.00 45.42 H new ATOM 239 N VAL A 16 7.548 9.523 -11.513 1.00 34.32 N ATOM 240 CA VAL A 16 8.530 8.708 -10.808 1.00 32.13 C ATOM 241 C VAL A 16 7.961 7.336 -10.465 1.00 20.41 C ATOM 242 O VAL A 16 6.795 7.210 -10.089 1.00 1.02 O ATOM 243 CB VAL A 16 9.002 9.394 -9.512 1.00 61.01 C ATOM 244 CG1 VAL A 16 9.976 8.501 -8.759 1.00 71.40 C ATOM 245 CG2 VAL A 16 9.634 10.742 -9.824 1.00 1.14 C ATOM 0 H VAL A 16 6.925 10.053 -10.904 1.00 34.32 H new ATOM 0 HA VAL A 16 9.381 8.588 -11.478 1.00 32.13 H new ATOM 0 HB VAL A 16 8.135 9.563 -8.874 1.00 61.01 H new ATOM 0 HG11 VAL A 16 10.298 9.002 -7.846 1.00 71.40 H new ATOM 0 HG12 VAL A 16 9.485 7.562 -8.503 1.00 71.40 H new ATOM 0 HG13 VAL A 16 10.843 8.298 -9.387 1.00 71.40 H new ATOM 0 HG21 VAL A 16 9.962 11.213 -8.897 1.00 1.14 H new ATOM 0 HG22 VAL A 16 10.492 10.598 -10.481 1.00 1.14 H new ATOM 0 HG23 VAL A 16 8.902 11.382 -10.317 1.00 1.14 H new ATOM 255 N THR A 17 8.793 6.307 -10.597 1.00 35.44 N ATOM 256 CA THR A 17 8.373 4.942 -10.302 1.00 0.44 C ATOM 257 C THR A 17 9.552 4.092 -9.843 1.00 31.30 C ATOM 258 O THR A 17 10.248 3.485 -10.658 1.00 3.32 O ATOM 259 CB THR A 17 7.721 4.277 -11.529 1.00 3.34 C ATOM 260 OG1 THR A 17 8.387 4.698 -12.725 1.00 34.41 O ATOM 261 CG2 THR A 17 6.244 4.629 -11.614 1.00 33.03 C ATOM 0 H THR A 17 9.761 6.393 -10.906 1.00 35.44 H new ATOM 0 HA THR A 17 7.638 5.003 -9.499 1.00 0.44 H new ATOM 0 HB THR A 17 7.815 3.196 -11.422 1.00 3.34 H new ATOM 0 HG1 THR A 17 7.968 4.270 -13.501 1.00 34.41 H new ATOM 0 HG21 THR A 17 5.805 4.148 -12.488 1.00 33.03 H new ATOM 0 HG22 THR A 17 5.735 4.282 -10.715 1.00 33.03 H new ATOM 0 HG23 THR A 17 6.132 5.710 -11.700 1.00 33.03 H new ATOM 269 N THR A 18 9.771 4.050 -8.532 1.00 62.24 N ATOM 270 CA THR A 18 10.866 3.273 -7.965 1.00 45.41 C ATOM 271 C THR A 18 11.001 3.525 -6.468 1.00 32.13 C ATOM 272 O THR A 18 11.459 2.659 -5.721 1.00 1.11 O ATOM 273 CB THR A 18 12.205 3.605 -8.652 1.00 33.10 C ATOM 274 OG1 THR A 18 13.295 3.129 -7.856 1.00 23.25 O ATOM 275 CG2 THR A 18 12.345 5.104 -8.869 1.00 10.14 C ATOM 0 H THR A 18 9.204 4.545 -7.843 1.00 62.24 H new ATOM 0 HA THR A 18 10.629 2.223 -8.134 1.00 45.41 H new ATOM 0 HB THR A 18 12.222 3.111 -9.623 1.00 33.10 H new ATOM 0 HG1 THR A 18 14.142 3.342 -8.300 1.00 23.25 H new ATOM 0 HG21 THR A 18 13.298 5.314 -9.355 1.00 10.14 H new ATOM 0 HG22 THR A 18 11.530 5.458 -9.500 1.00 10.14 H new ATOM 0 HG23 THR A 18 12.308 5.616 -7.907 1.00 10.14 H new ATOM 283 N LEU A 19 10.598 4.714 -6.034 1.00 3.21 N ATOM 284 CA LEU A 19 10.673 5.080 -4.624 1.00 21.34 C ATOM 285 C LEU A 19 9.425 4.621 -3.875 1.00 43.54 C ATOM 286 O LEU A 19 8.341 4.534 -4.451 1.00 50.45 O ATOM 287 CB LEU A 19 10.843 6.593 -4.477 1.00 33.11 C ATOM 288 CG LEU A 19 12.235 7.076 -4.068 1.00 73.30 C ATOM 289 CD1 LEU A 19 12.532 6.688 -2.628 1.00 4.42 C ATOM 290 CD2 LEU A 19 13.292 6.509 -5.004 1.00 61.02 C ATOM 0 H LEU A 19 10.216 5.441 -6.638 1.00 3.21 H new ATOM 0 HA LEU A 19 11.539 4.580 -4.190 1.00 21.34 H new ATOM 0 HB2 LEU A 19 10.582 7.062 -5.426 1.00 33.11 H new ATOM 0 HB3 LEU A 19 10.125 6.949 -3.738 1.00 33.11 H new ATOM 0 HG LEU A 19 12.258 8.163 -4.142 1.00 73.30 H new ATOM 0 HD11 LEU A 19 13.527 7.040 -2.354 1.00 4.42 H new ATOM 0 HD12 LEU A 19 11.792 7.142 -1.969 1.00 4.42 H new ATOM 0 HD13 LEU A 19 12.490 5.603 -2.527 1.00 4.42 H new ATOM 0 HD21 LEU A 19 14.276 6.863 -4.698 1.00 61.02 H new ATOM 0 HD22 LEU A 19 13.269 5.420 -4.962 1.00 61.02 H new ATOM 0 HD23 LEU A 19 13.089 6.837 -6.023 1.00 61.02 H new ATOM 302 N SER A 20 9.586 4.332 -2.588 1.00 64.22 N ATOM 303 CA SER A 20 8.473 3.881 -1.761 1.00 42.11 C ATOM 304 C SER A 20 8.424 4.656 -0.448 1.00 14.11 C ATOM 305 O SER A 20 9.382 5.334 -0.079 1.00 30.21 O ATOM 306 CB SER A 20 8.595 2.383 -1.478 1.00 31.43 C ATOM 307 OG SER A 20 9.871 1.894 -1.853 1.00 41.54 O ATOM 0 H SER A 20 10.476 4.402 -2.095 1.00 64.22 H new ATOM 0 HA SER A 20 7.548 4.066 -2.307 1.00 42.11 H new ATOM 0 HB2 SER A 20 8.428 2.196 -0.417 1.00 31.43 H new ATOM 0 HB3 SER A 20 7.821 1.843 -2.023 1.00 31.43 H new ATOM 0 HG SER A 20 10.567 2.410 -1.394 1.00 41.54 H new ATOM 313 N GLU A 21 7.299 4.550 0.252 1.00 14.15 N ATOM 314 CA GLU A 21 7.123 5.242 1.524 1.00 22.42 C ATOM 315 C GLU A 21 8.213 4.843 2.515 1.00 1.01 C ATOM 316 O GLU A 21 8.479 5.557 3.482 1.00 1.11 O ATOM 317 CB GLU A 21 5.745 4.932 2.113 1.00 63.32 C ATOM 318 CG GLU A 21 5.242 3.536 1.783 1.00 5.33 C ATOM 319 CD GLU A 21 6.280 2.464 2.054 1.00 75.42 C ATOM 320 OE1 GLU A 21 6.644 2.275 3.234 1.00 52.55 O ATOM 321 OE2 GLU A 21 6.727 1.813 1.087 1.00 71.34 O ATOM 0 H GLU A 21 6.496 3.992 -0.040 1.00 14.15 H new ATOM 0 HA GLU A 21 7.198 6.314 1.339 1.00 22.42 H new ATOM 0 HB2 GLU A 21 5.788 5.047 3.196 1.00 63.32 H new ATOM 0 HB3 GLU A 21 5.028 5.665 1.743 1.00 63.32 H new ATOM 0 HG2 GLU A 21 4.348 3.328 2.370 1.00 5.33 H new ATOM 0 HG3 GLU A 21 4.950 3.497 0.733 1.00 5.33 H new ATOM 328 N ASP A 22 8.839 3.698 2.267 1.00 5.13 N ATOM 329 CA ASP A 22 9.901 3.204 3.137 1.00 71.55 C ATOM 330 C ASP A 22 11.127 4.108 3.065 1.00 24.21 C ATOM 331 O ASP A 22 12.034 4.008 3.892 1.00 15.05 O ATOM 332 CB ASP A 22 10.282 1.774 2.749 1.00 44.14 C ATOM 333 CG ASP A 22 11.242 1.143 3.738 1.00 64.55 C ATOM 334 OD1 ASP A 22 10.778 0.672 4.797 1.00 71.45 O ATOM 335 OD2 ASP A 22 12.458 1.120 3.453 1.00 64.11 O ATOM 0 H ASP A 22 8.630 3.095 1.472 1.00 5.13 H new ATOM 0 HA ASP A 22 9.530 3.208 4.162 1.00 71.55 H new ATOM 0 HB2 ASP A 22 9.380 1.166 2.684 1.00 44.14 H new ATOM 0 HB3 ASP A 22 10.736 1.778 1.758 1.00 44.14 H new ATOM 340 N ASP A 23 11.149 4.989 2.071 1.00 64.41 N ATOM 341 CA ASP A 23 12.265 5.911 1.891 1.00 34.10 C ATOM 342 C ASP A 23 11.906 7.303 2.402 1.00 64.01 C ATOM 343 O ASP A 23 11.173 7.448 3.381 1.00 65.20 O ATOM 344 CB ASP A 23 12.662 5.982 0.416 1.00 45.21 C ATOM 345 CG ASP A 23 12.699 4.616 -0.241 1.00 14.14 C ATOM 346 OD1 ASP A 23 11.616 4.083 -0.562 1.00 33.14 O ATOM 347 OD2 ASP A 23 13.810 4.081 -0.434 1.00 72.32 O ATOM 0 H ASP A 23 10.407 5.084 1.378 1.00 64.41 H new ATOM 0 HA ASP A 23 13.111 5.538 2.469 1.00 34.10 H new ATOM 0 HB2 ASP A 23 11.956 6.619 -0.117 1.00 45.21 H new ATOM 0 HB3 ASP A 23 13.642 6.450 0.329 1.00 45.21 H new ATOM 352 N THR A 24 12.429 8.326 1.733 1.00 41.10 N ATOM 353 CA THR A 24 12.167 9.706 2.120 1.00 13.41 C ATOM 354 C THR A 24 11.919 10.583 0.898 1.00 72.34 C ATOM 355 O THR A 24 12.180 10.175 -0.234 1.00 43.13 O ATOM 356 CB THR A 24 13.337 10.295 2.930 1.00 21.25 C ATOM 357 OG1 THR A 24 14.514 9.502 2.738 1.00 51.25 O ATOM 358 CG2 THR A 24 12.995 10.352 4.412 1.00 61.33 C ATOM 0 H THR A 24 13.037 8.224 0.920 1.00 41.10 H new ATOM 0 HA THR A 24 11.273 9.694 2.743 1.00 13.41 H new ATOM 0 HB THR A 24 13.520 11.309 2.576 1.00 21.25 H new ATOM 0 HG1 THR A 24 15.254 9.884 3.255 1.00 51.25 H new ATOM 0 HG21 THR A 24 13.836 10.771 4.964 1.00 61.33 H new ATOM 0 HG22 THR A 24 12.116 10.979 4.559 1.00 61.33 H new ATOM 0 HG23 THR A 24 12.788 9.346 4.776 1.00 61.33 H new ATOM 366 N VAL A 25 11.413 11.789 1.133 1.00 42.42 N ATOM 367 CA VAL A 25 11.132 12.725 0.050 1.00 34.42 C ATOM 368 C VAL A 25 12.406 13.099 -0.698 1.00 1.01 C ATOM 369 O VAL A 25 12.430 13.131 -1.929 1.00 52.21 O ATOM 370 CB VAL A 25 10.463 14.008 0.577 1.00 12.11 C ATOM 371 CG1 VAL A 25 10.254 15.004 -0.553 1.00 43.42 C ATOM 372 CG2 VAL A 25 9.143 13.679 1.259 1.00 4.43 C ATOM 0 H VAL A 25 11.189 12.141 2.064 1.00 42.42 H new ATOM 0 HA VAL A 25 10.448 12.222 -0.634 1.00 34.42 H new ATOM 0 HB VAL A 25 11.123 14.464 1.314 1.00 12.11 H new ATOM 0 HG11 VAL A 25 9.780 15.904 -0.162 1.00 43.42 H new ATOM 0 HG12 VAL A 25 11.217 15.263 -0.993 1.00 43.42 H new ATOM 0 HG13 VAL A 25 9.615 14.560 -1.316 1.00 43.42 H new ATOM 0 HG21 VAL A 25 8.684 14.597 1.625 1.00 4.43 H new ATOM 0 HG22 VAL A 25 8.474 13.199 0.545 1.00 4.43 H new ATOM 0 HG23 VAL A 25 9.324 13.005 2.096 1.00 4.43 H new ATOM 382 N LEU A 26 13.465 13.381 0.053 1.00 11.20 N ATOM 383 CA LEU A 26 14.745 13.753 -0.539 1.00 3.32 C ATOM 384 C LEU A 26 15.280 12.635 -1.428 1.00 55.34 C ATOM 385 O LEU A 26 16.017 12.886 -2.382 1.00 32.10 O ATOM 386 CB LEU A 26 15.761 14.078 0.558 1.00 64.42 C ATOM 387 CG LEU A 26 16.732 12.955 0.927 1.00 50.13 C ATOM 388 CD1 LEU A 26 17.963 13.000 0.035 1.00 22.41 C ATOM 389 CD2 LEU A 26 17.129 13.053 2.392 1.00 12.45 C ATOM 0 H LEU A 26 13.462 13.359 1.073 1.00 11.20 H new ATOM 0 HA LEU A 26 14.588 14.638 -1.155 1.00 3.32 H new ATOM 0 HB2 LEU A 26 16.342 14.945 0.242 1.00 64.42 H new ATOM 0 HB3 LEU A 26 15.216 14.370 1.456 1.00 64.42 H new ATOM 0 HG LEU A 26 16.230 12.000 0.771 1.00 50.13 H new ATOM 0 HD11 LEU A 26 18.643 12.194 0.312 1.00 22.41 H new ATOM 0 HD12 LEU A 26 17.663 12.880 -1.006 1.00 22.41 H new ATOM 0 HD13 LEU A 26 18.467 13.958 0.159 1.00 22.41 H new ATOM 0 HD21 LEU A 26 17.820 12.246 2.636 1.00 12.45 H new ATOM 0 HD22 LEU A 26 17.613 14.013 2.575 1.00 12.45 H new ATOM 0 HD23 LEU A 26 16.239 12.970 3.016 1.00 12.45 H new ATOM 401 N ASP A 27 14.901 11.402 -1.111 1.00 40.22 N ATOM 402 CA ASP A 27 15.339 10.245 -1.884 1.00 1.45 C ATOM 403 C ASP A 27 14.652 10.209 -3.245 1.00 11.00 C ATOM 404 O ASP A 27 15.243 9.786 -4.240 1.00 33.25 O ATOM 405 CB ASP A 27 15.049 8.954 -1.117 1.00 72.02 C ATOM 406 CG ASP A 27 16.117 7.900 -1.332 1.00 44.33 C ATOM 407 OD1 ASP A 27 17.298 8.276 -1.493 1.00 33.01 O ATOM 408 OD2 ASP A 27 15.774 6.700 -1.339 1.00 54.03 O ATOM 0 H ASP A 27 14.292 11.178 -0.324 1.00 40.22 H new ATOM 0 HA ASP A 27 16.414 10.330 -2.043 1.00 1.45 H new ATOM 0 HB2 ASP A 27 14.972 9.177 -0.053 1.00 72.02 H new ATOM 0 HB3 ASP A 27 14.083 8.558 -1.431 1.00 72.02 H new ATOM 413 N LEU A 28 13.401 10.654 -3.282 1.00 52.14 N ATOM 414 CA LEU A 28 12.632 10.672 -4.522 1.00 32.21 C ATOM 415 C LEU A 28 13.004 11.880 -5.376 1.00 74.52 C ATOM 416 O LEU A 28 13.254 11.753 -6.575 1.00 22.51 O ATOM 417 CB LEU A 28 11.133 10.692 -4.215 1.00 63.42 C ATOM 418 CG LEU A 28 10.214 10.182 -5.326 1.00 21.43 C ATOM 419 CD1 LEU A 28 9.139 9.271 -4.753 1.00 23.12 C ATOM 420 CD2 LEU A 28 9.585 11.347 -6.074 1.00 55.43 C ATOM 0 H LEU A 28 12.897 11.007 -2.468 1.00 52.14 H new ATOM 0 HA LEU A 28 12.870 9.768 -5.082 1.00 32.21 H new ATOM 0 HB2 LEU A 28 10.957 10.093 -3.322 1.00 63.42 H new ATOM 0 HB3 LEU A 28 10.845 11.715 -3.974 1.00 63.42 H new ATOM 0 HG LEU A 28 10.813 9.605 -6.031 1.00 21.43 H new ATOM 0 HD11 LEU A 28 8.495 8.918 -5.558 1.00 23.12 H new ATOM 0 HD12 LEU A 28 9.608 8.418 -4.263 1.00 23.12 H new ATOM 0 HD13 LEU A 28 8.543 9.824 -4.027 1.00 23.12 H new ATOM 0 HD21 LEU A 28 8.934 10.965 -6.861 1.00 55.43 H new ATOM 0 HD22 LEU A 28 9.000 11.951 -5.381 1.00 55.43 H new ATOM 0 HD23 LEU A 28 10.369 11.961 -6.517 1.00 55.43 H new ATOM 432 N LYS A 29 13.040 13.051 -4.751 1.00 14.40 N ATOM 433 CA LYS A 29 13.384 14.283 -5.452 1.00 24.33 C ATOM 434 C LYS A 29 14.798 14.208 -6.019 1.00 42.14 C ATOM 435 O LYS A 29 15.005 14.389 -7.219 1.00 74.40 O ATOM 436 CB LYS A 29 13.265 15.481 -4.508 1.00 0.42 C ATOM 437 CG LYS A 29 11.919 16.181 -4.580 1.00 52.04 C ATOM 438 CD LYS A 29 10.920 15.569 -3.613 1.00 14.53 C ATOM 439 CE LYS A 29 10.036 14.541 -4.301 1.00 35.44 C ATOM 440 NZ LYS A 29 8.605 14.953 -4.304 1.00 74.34 N ATOM 0 H LYS A 29 12.835 13.174 -3.759 1.00 14.40 H new ATOM 0 HA LYS A 29 12.685 14.409 -6.279 1.00 24.33 H new ATOM 0 HB2 LYS A 29 13.436 15.145 -3.485 1.00 0.42 H new ATOM 0 HB3 LYS A 29 14.051 16.198 -4.744 1.00 0.42 H new ATOM 0 HG2 LYS A 29 12.046 17.239 -4.352 1.00 52.04 H new ATOM 0 HG3 LYS A 29 11.529 16.118 -5.596 1.00 52.04 H new ATOM 0 HD2 LYS A 29 11.453 15.098 -2.787 1.00 14.53 H new ATOM 0 HD3 LYS A 29 10.299 16.355 -3.184 1.00 14.53 H new ATOM 0 HE2 LYS A 29 10.375 14.399 -5.327 1.00 35.44 H new ATOM 0 HE3 LYS A 29 10.136 13.580 -3.796 1.00 35.44 H new ATOM 0 HZ1 LYS A 29 8.159 14.652 -5.194 1.00 74.34 H new ATOM 0 HZ2 LYS A 29 8.114 14.507 -3.503 1.00 74.34 H new ATOM 0 HZ3 LYS A 29 8.541 15.987 -4.217 1.00 74.34 H new ATOM 454 N GLN A 30 15.767 13.940 -5.150 1.00 32.23 N ATOM 455 CA GLN A 30 17.161 13.841 -5.566 1.00 73.41 C ATOM 456 C GLN A 30 17.331 12.781 -6.650 1.00 0.22 C ATOM 457 O GLN A 30 18.292 12.813 -7.418 1.00 44.43 O ATOM 458 CB GLN A 30 18.051 13.509 -4.367 1.00 73.52 C ATOM 459 CG GLN A 30 18.142 12.020 -4.071 1.00 14.33 C ATOM 460 CD GLN A 30 19.322 11.360 -4.755 1.00 4.02 C ATOM 461 OE1 GLN A 30 20.268 12.030 -5.171 1.00 52.21 O ATOM 462 NE2 GLN A 30 19.274 10.038 -4.875 1.00 3.43 N ATOM 0 H GLN A 30 15.612 13.788 -4.153 1.00 32.23 H new ATOM 0 HA GLN A 30 17.461 14.805 -5.976 1.00 73.41 H new ATOM 0 HB2 GLN A 30 19.053 13.896 -4.550 1.00 73.52 H new ATOM 0 HB3 GLN A 30 17.667 14.023 -3.486 1.00 73.52 H new ATOM 0 HG2 GLN A 30 18.222 11.872 -2.994 1.00 14.33 H new ATOM 0 HG3 GLN A 30 17.222 11.533 -4.392 1.00 14.33 H new ATOM 0 HE21 GLN A 30 18.471 9.522 -4.516 1.00 3.43 H new ATOM 0 HE22 GLN A 30 20.040 9.539 -5.326 1.00 3.43 H new ATOM 471 N PHE A 31 16.392 11.843 -6.706 1.00 30.54 N ATOM 472 CA PHE A 31 16.439 10.772 -7.695 1.00 31.14 C ATOM 473 C PHE A 31 15.977 11.272 -9.060 1.00 40.31 C ATOM 474 O PHE A 31 16.694 11.150 -10.054 1.00 43.21 O ATOM 475 CB PHE A 31 15.566 9.597 -7.247 1.00 44.25 C ATOM 476 CG PHE A 31 15.503 8.481 -8.251 1.00 3.41 C ATOM 477 CD1 PHE A 31 16.445 7.465 -8.237 1.00 5.41 C ATOM 478 CD2 PHE A 31 14.502 8.448 -9.208 1.00 32.04 C ATOM 479 CE1 PHE A 31 16.390 6.438 -9.160 1.00 21.03 C ATOM 480 CE2 PHE A 31 14.441 7.423 -10.133 1.00 20.22 C ATOM 481 CZ PHE A 31 15.386 6.416 -10.108 1.00 30.11 C ATOM 0 H PHE A 31 15.589 11.802 -6.078 1.00 30.54 H new ATOM 0 HA PHE A 31 17.472 10.436 -7.782 1.00 31.14 H new ATOM 0 HB2 PHE A 31 15.951 9.207 -6.305 1.00 44.25 H new ATOM 0 HB3 PHE A 31 14.556 9.958 -7.053 1.00 44.25 H new ATOM 0 HD1 PHE A 31 17.231 7.476 -7.496 1.00 5.41 H new ATOM 0 HD2 PHE A 31 13.760 9.233 -9.232 1.00 32.04 H new ATOM 0 HE1 PHE A 31 17.132 5.653 -9.140 1.00 21.03 H new ATOM 0 HE2 PHE A 31 13.656 7.409 -10.874 1.00 20.22 H new ATOM 0 HZ PHE A 31 15.340 5.613 -10.829 1.00 30.11 H new ATOM 491 N LEU A 32 14.775 11.835 -9.101 1.00 54.42 N ATOM 492 CA LEU A 32 14.215 12.355 -10.344 1.00 70.44 C ATOM 493 C LEU A 32 15.004 13.565 -10.833 1.00 64.44 C ATOM 494 O LEU A 32 15.296 13.690 -12.023 1.00 24.01 O ATOM 495 CB LEU A 32 12.747 12.735 -10.146 1.00 52.30 C ATOM 496 CG LEU A 32 12.442 13.629 -8.943 1.00 73.40 C ATOM 497 CD1 LEU A 32 12.443 15.093 -9.352 1.00 1.42 C ATOM 498 CD2 LEU A 32 11.106 13.248 -8.321 1.00 61.21 C ATOM 0 H LEU A 32 14.169 11.943 -8.288 1.00 54.42 H new ATOM 0 HA LEU A 32 14.282 11.572 -11.099 1.00 70.44 H new ATOM 0 HB2 LEU A 32 12.398 13.240 -11.047 1.00 52.30 H new ATOM 0 HB3 LEU A 32 12.165 11.819 -10.049 1.00 52.30 H new ATOM 0 HG LEU A 32 13.223 13.481 -8.197 1.00 73.40 H new ATOM 0 HD11 LEU A 32 12.224 15.714 -8.483 1.00 1.42 H new ATOM 0 HD12 LEU A 32 13.422 15.359 -9.750 1.00 1.42 H new ATOM 0 HD13 LEU A 32 11.683 15.258 -10.116 1.00 1.42 H new ATOM 0 HD21 LEU A 32 10.905 13.894 -7.467 1.00 61.21 H new ATOM 0 HD22 LEU A 32 10.314 13.367 -9.060 1.00 61.21 H new ATOM 0 HD23 LEU A 32 11.141 12.210 -7.990 1.00 61.21 H new ATOM 510 N LYS A 33 15.349 14.453 -9.908 1.00 2.14 N ATOM 511 CA LYS A 33 16.108 15.652 -10.242 1.00 42.22 C ATOM 512 C LYS A 33 17.397 15.294 -10.976 1.00 33.54 C ATOM 513 O LYS A 33 17.915 16.084 -11.765 1.00 60.22 O ATOM 514 CB LYS A 33 16.434 16.445 -8.974 1.00 64.42 C ATOM 515 CG LYS A 33 17.897 16.838 -8.862 1.00 41.23 C ATOM 516 CD LYS A 33 18.737 15.706 -8.295 1.00 2.32 C ATOM 517 CE LYS A 33 20.129 15.685 -8.907 1.00 25.42 C ATOM 518 NZ LYS A 33 21.171 16.107 -7.930 1.00 63.31 N ATOM 0 H LYS A 33 15.115 14.365 -8.919 1.00 2.14 H new ATOM 0 HA LYS A 33 15.495 16.267 -10.900 1.00 42.22 H new ATOM 0 HB2 LYS A 33 15.822 17.346 -8.952 1.00 64.42 H new ATOM 0 HB3 LYS A 33 16.158 15.851 -8.103 1.00 64.42 H new ATOM 0 HG2 LYS A 33 18.276 17.116 -9.845 1.00 41.23 H new ATOM 0 HG3 LYS A 33 17.991 17.717 -8.224 1.00 41.23 H new ATOM 0 HD2 LYS A 33 18.815 15.816 -7.213 1.00 2.32 H new ATOM 0 HD3 LYS A 33 18.241 14.754 -8.483 1.00 2.32 H new ATOM 0 HE2 LYS A 33 20.353 14.680 -9.265 1.00 25.42 H new ATOM 0 HE3 LYS A 33 20.155 16.346 -9.774 1.00 25.42 H new ATOM 0 HZ1 LYS A 33 22.048 16.341 -8.437 1.00 63.31 H new ATOM 0 HZ2 LYS A 33 20.839 16.943 -7.408 1.00 63.31 H new ATOM 0 HZ3 LYS A 33 21.354 15.332 -7.261 1.00 63.31 H new ATOM 532 N THR A 34 17.909 14.096 -10.711 1.00 62.31 N ATOM 533 CA THR A 34 19.136 13.632 -11.346 1.00 45.31 C ATOM 534 C THR A 34 18.868 13.126 -12.759 1.00 14.34 C ATOM 535 O THR A 34 19.765 13.101 -13.602 1.00 3.53 O ATOM 536 CB THR A 34 19.802 12.509 -10.529 1.00 5.32 C ATOM 537 OG1 THR A 34 21.217 12.723 -10.464 1.00 12.54 O ATOM 538 CG2 THR A 34 19.518 11.149 -11.147 1.00 65.31 C ATOM 0 H THR A 34 17.493 13.430 -10.061 1.00 62.31 H new ATOM 0 HA THR A 34 19.810 14.487 -11.391 1.00 45.31 H new ATOM 0 HB THR A 34 19.386 12.527 -9.522 1.00 5.32 H new ATOM 0 HG1 THR A 34 21.633 12.006 -9.941 1.00 12.54 H new ATOM 0 HG21 THR A 34 19.999 10.372 -10.553 1.00 65.31 H new ATOM 0 HG22 THR A 34 18.442 10.976 -11.168 1.00 65.31 H new ATOM 0 HG23 THR A 34 19.910 11.122 -12.164 1.00 65.31 H new ATOM 546 N LEU A 35 17.627 12.724 -13.012 1.00 1.13 N ATOM 547 CA LEU A 35 17.239 12.219 -14.324 1.00 63.11 C ATOM 548 C LEU A 35 17.069 13.362 -15.319 1.00 41.33 C ATOM 549 O LEU A 35 17.745 13.411 -16.348 1.00 0.44 O ATOM 550 CB LEU A 35 15.939 11.420 -14.221 1.00 21.40 C ATOM 551 CG LEU A 35 15.816 10.492 -13.012 1.00 33.12 C ATOM 552 CD1 LEU A 35 14.455 9.812 -12.997 1.00 43.22 C ATOM 553 CD2 LEU A 35 16.931 9.457 -13.018 1.00 21.23 C ATOM 0 H LEU A 35 16.873 12.738 -12.326 1.00 1.13 H new ATOM 0 HA LEU A 35 18.033 11.564 -14.683 1.00 63.11 H new ATOM 0 HB2 LEU A 35 15.105 12.122 -14.202 1.00 21.40 H new ATOM 0 HB3 LEU A 35 15.831 10.822 -15.126 1.00 21.40 H new ATOM 0 HG LEU A 35 15.910 11.092 -12.107 1.00 33.12 H new ATOM 0 HD11 LEU A 35 14.386 9.156 -12.130 1.00 43.22 H new ATOM 0 HD12 LEU A 35 13.671 10.568 -12.944 1.00 43.22 H new ATOM 0 HD13 LEU A 35 14.332 9.225 -13.907 1.00 43.22 H new ATOM 0 HD21 LEU A 35 16.827 8.805 -12.150 1.00 21.23 H new ATOM 0 HD22 LEU A 35 16.869 8.861 -13.929 1.00 21.23 H new ATOM 0 HD23 LEU A 35 17.896 9.962 -12.979 1.00 21.23 H new ATOM 565 N THR A 36 16.162 14.283 -15.006 1.00 24.21 N ATOM 566 CA THR A 36 15.904 15.427 -15.871 1.00 71.43 C ATOM 567 C THR A 36 15.814 16.717 -15.065 1.00 13.02 C ATOM 568 O THR A 36 16.113 17.798 -15.570 1.00 0.24 O ATOM 569 CB THR A 36 14.601 15.242 -16.671 1.00 54.54 C ATOM 570 OG1 THR A 36 14.315 16.428 -17.422 1.00 62.25 O ATOM 571 CG2 THR A 36 13.436 14.931 -15.744 1.00 33.10 C ATOM 0 H THR A 36 15.594 14.258 -14.159 1.00 24.21 H new ATOM 0 HA THR A 36 16.742 15.494 -16.565 1.00 71.43 H new ATOM 0 HB THR A 36 14.736 14.403 -17.353 1.00 54.54 H new ATOM 0 HG1 THR A 36 13.433 16.345 -17.841 1.00 62.25 H new ATOM 0 HG21 THR A 36 12.527 14.805 -16.332 1.00 33.10 H new ATOM 0 HG22 THR A 36 13.643 14.013 -15.194 1.00 33.10 H new ATOM 0 HG23 THR A 36 13.302 15.752 -15.040 1.00 33.10 H new ATOM 579 N GLY A 37 15.399 16.596 -13.807 1.00 65.11 N ATOM 580 CA GLY A 37 15.278 17.761 -12.951 1.00 0.13 C ATOM 581 C GLY A 37 16.614 18.424 -12.680 1.00 63.33 C ATOM 582 O GLY A 37 17.642 18.005 -13.213 1.00 41.42 O ATOM 0 H GLY A 37 15.145 15.712 -13.366 1.00 65.11 H new ATOM 0 HA2 GLY A 37 14.606 18.482 -13.417 1.00 0.13 H new ATOM 0 HA3 GLY A 37 14.823 17.467 -12.005 1.00 0.13 H new ATOM 586 N VAL A 38 16.601 19.462 -11.851 1.00 0.33 N ATOM 587 CA VAL A 38 17.821 20.185 -11.511 1.00 31.11 C ATOM 588 C VAL A 38 18.182 19.993 -10.042 1.00 64.03 C ATOM 589 O VAL A 38 17.312 20.005 -9.171 1.00 21.34 O ATOM 590 CB VAL A 38 17.680 21.691 -11.801 1.00 4.10 C ATOM 591 CG1 VAL A 38 16.307 22.190 -11.379 1.00 1.53 C ATOM 592 CG2 VAL A 38 18.780 22.473 -11.099 1.00 43.33 C ATOM 0 H VAL A 38 15.759 19.822 -11.402 1.00 0.33 H new ATOM 0 HA VAL A 38 18.616 19.775 -12.134 1.00 31.11 H new ATOM 0 HB VAL A 38 17.782 21.848 -12.875 1.00 4.10 H new ATOM 0 HG11 VAL A 38 16.226 23.256 -11.592 1.00 1.53 H new ATOM 0 HG12 VAL A 38 15.538 21.650 -11.932 1.00 1.53 H new ATOM 0 HG13 VAL A 38 16.171 22.022 -10.311 1.00 1.53 H new ATOM 0 HG21 VAL A 38 18.666 23.535 -11.315 1.00 43.33 H new ATOM 0 HG22 VAL A 38 18.711 22.312 -10.023 1.00 43.33 H new ATOM 0 HG23 VAL A 38 19.752 22.133 -11.456 1.00 43.33 H new ATOM 602 N LEU A 39 19.471 19.817 -9.774 1.00 65.33 N ATOM 603 CA LEU A 39 19.950 19.623 -8.410 1.00 33.42 C ATOM 604 C LEU A 39 19.486 20.758 -7.503 1.00 53.35 C ATOM 605 O LEU A 39 19.297 21.895 -7.938 1.00 23.20 O ATOM 606 CB LEU A 39 21.477 19.532 -8.392 1.00 34.23 C ATOM 607 CG LEU A 39 22.213 20.399 -9.413 1.00 72.05 C ATOM 608 CD1 LEU A 39 22.195 19.740 -10.784 1.00 52.42 C ATOM 609 CD2 LEU A 39 21.594 21.788 -9.479 1.00 30.32 C ATOM 0 H LEU A 39 20.204 19.805 -10.484 1.00 65.33 H new ATOM 0 HA LEU A 39 19.532 18.689 -8.034 1.00 33.42 H new ATOM 0 HB2 LEU A 39 21.825 19.804 -7.396 1.00 34.23 H new ATOM 0 HB3 LEU A 39 21.761 18.493 -8.556 1.00 34.23 H new ATOM 0 HG LEU A 39 23.250 20.500 -9.094 1.00 72.05 H new ATOM 0 HD11 LEU A 39 22.724 20.371 -11.498 1.00 52.42 H new ATOM 0 HD12 LEU A 39 22.685 18.768 -10.727 1.00 52.42 H new ATOM 0 HD13 LEU A 39 21.164 19.608 -11.111 1.00 52.42 H new ATOM 0 HD21 LEU A 39 22.131 22.391 -10.211 1.00 30.32 H new ATOM 0 HD22 LEU A 39 20.548 21.706 -9.773 1.00 30.32 H new ATOM 0 HD23 LEU A 39 21.659 22.262 -8.500 1.00 30.32 H new ATOM 621 N PRO A 40 19.299 20.447 -6.212 1.00 75.54 N ATOM 622 CA PRO A 40 18.857 21.428 -5.217 1.00 22.00 C ATOM 623 C PRO A 40 19.931 22.467 -4.912 1.00 14.12 C ATOM 624 O PRO A 40 19.630 23.562 -4.437 1.00 32.43 O ATOM 625 CB PRO A 40 18.572 20.574 -3.979 1.00 3.01 C ATOM 626 CG PRO A 40 19.431 19.368 -4.145 1.00 0.02 C ATOM 627 CD PRO A 40 19.504 19.112 -5.625 1.00 10.02 C ATOM 0 HA PRO A 40 17.997 22.001 -5.563 1.00 22.00 H new ATOM 0 HB2 PRO A 40 18.817 21.111 -3.063 1.00 3.01 H new ATOM 0 HB3 PRO A 40 17.518 20.304 -3.918 1.00 3.01 H new ATOM 0 HG2 PRO A 40 20.424 19.536 -3.729 1.00 0.02 H new ATOM 0 HG3 PRO A 40 19.007 18.511 -3.621 1.00 0.02 H new ATOM 0 HD2 PRO A 40 20.467 18.690 -5.913 1.00 10.02 H new ATOM 0 HD3 PRO A 40 18.738 18.408 -5.949 1.00 10.02 H new ATOM 635 N GLU A 41 21.183 22.117 -5.189 1.00 32.34 N ATOM 636 CA GLU A 41 22.300 23.021 -4.943 1.00 23.54 C ATOM 637 C GLU A 41 22.076 24.363 -5.632 1.00 41.22 C ATOM 638 O GLU A 41 22.400 25.417 -5.084 1.00 24.54 O ATOM 639 CB GLU A 41 23.608 22.395 -5.432 1.00 41.35 C ATOM 640 CG GLU A 41 24.828 23.268 -5.190 1.00 23.32 C ATOM 641 CD GLU A 41 24.962 23.694 -3.741 1.00 31.44 C ATOM 642 OE1 GLU A 41 25.417 22.869 -2.920 1.00 42.12 O ATOM 643 OE2 GLU A 41 24.611 24.850 -3.427 1.00 4.23 O ATOM 0 H GLU A 41 21.449 21.215 -5.584 1.00 32.34 H new ATOM 0 HA GLU A 41 22.367 23.192 -3.868 1.00 23.54 H new ATOM 0 HB2 GLU A 41 23.752 21.437 -4.932 1.00 41.35 H new ATOM 0 HB3 GLU A 41 23.525 22.188 -6.499 1.00 41.35 H new ATOM 0 HG2 GLU A 41 25.724 22.725 -5.489 1.00 23.32 H new ATOM 0 HG3 GLU A 41 24.767 24.154 -5.821 1.00 23.32 H new ATOM 650 N ARG A 42 21.520 24.317 -6.838 1.00 60.34 N ATOM 651 CA ARG A 42 21.254 25.528 -7.604 1.00 51.33 C ATOM 652 C ARG A 42 19.769 25.879 -7.569 1.00 23.12 C ATOM 653 O ARG A 42 19.401 27.047 -7.453 1.00 51.44 O ATOM 654 CB ARG A 42 21.713 25.353 -9.053 1.00 31.40 C ATOM 655 CG ARG A 42 23.175 25.705 -9.276 1.00 33.53 C ATOM 656 CD ARG A 42 24.078 24.503 -9.047 1.00 61.10 C ATOM 657 NE ARG A 42 25.462 24.898 -8.799 1.00 31.14 N ATOM 658 CZ ARG A 42 26.380 24.081 -8.294 1.00 41.12 C ATOM 659 NH1 ARG A 42 26.063 22.831 -7.987 1.00 0.03 N ATOM 660 NH2 ARG A 42 27.619 24.514 -8.097 1.00 13.31 N ATOM 0 H ARG A 42 21.245 23.453 -7.306 1.00 60.34 H new ATOM 0 HA ARG A 42 21.814 26.345 -7.149 1.00 51.33 H new ATOM 0 HB2 ARG A 42 21.547 24.319 -9.355 1.00 31.40 H new ATOM 0 HB3 ARG A 42 21.095 25.977 -9.699 1.00 31.40 H new ATOM 0 HG2 ARG A 42 23.310 26.075 -10.292 1.00 33.53 H new ATOM 0 HG3 ARG A 42 23.463 26.512 -8.602 1.00 33.53 H new ATOM 0 HD2 ARG A 42 23.708 23.928 -8.199 1.00 61.10 H new ATOM 0 HD3 ARG A 42 24.038 23.848 -9.918 1.00 61.10 H new ATOM 0 HE ARG A 42 25.739 25.853 -9.026 1.00 31.14 H new ATOM 0 HH11 ARG A 42 25.112 22.494 -8.138 1.00 0.03 H new ATOM 0 HH12 ARG A 42 26.770 22.206 -7.599 1.00 0.03 H new ATOM 0 HH21 ARG A 42 27.867 25.475 -8.333 1.00 13.31 H new ATOM 0 HH22 ARG A 42 28.323 23.886 -7.709 1.00 13.31 H new ATOM 674 N GLN A 43 18.923 24.859 -7.669 1.00 61.14 N ATOM 675 CA GLN A 43 17.479 25.060 -7.650 1.00 41.11 C ATOM 676 C GLN A 43 16.914 24.818 -6.254 1.00 64.22 C ATOM 677 O GLN A 43 17.527 24.133 -5.435 1.00 60.41 O ATOM 678 CB GLN A 43 16.800 24.130 -8.657 1.00 33.15 C ATOM 679 CG GLN A 43 16.446 22.767 -8.083 1.00 12.31 C ATOM 680 CD GLN A 43 15.108 22.764 -7.370 1.00 21.03 C ATOM 681 OE1 GLN A 43 14.291 23.667 -7.554 1.00 22.24 O ATOM 682 NE2 GLN A 43 14.877 21.745 -6.550 1.00 14.53 N ATOM 0 H GLN A 43 19.212 23.886 -7.764 1.00 61.14 H new ATOM 0 HA GLN A 43 17.278 26.094 -7.929 1.00 41.11 H new ATOM 0 HB2 GLN A 43 15.892 24.607 -9.025 1.00 33.15 H new ATOM 0 HB3 GLN A 43 17.458 23.994 -9.515 1.00 33.15 H new ATOM 0 HG2 GLN A 43 16.426 22.032 -8.888 1.00 12.31 H new ATOM 0 HG3 GLN A 43 17.225 22.457 -7.387 1.00 12.31 H new ATOM 0 HE21 GLN A 43 15.583 21.019 -6.428 1.00 14.53 H new ATOM 0 HE22 GLN A 43 13.994 21.689 -6.043 1.00 14.53 H new ATOM 691 N LYS A 44 15.742 25.385 -5.989 1.00 24.20 N ATOM 692 CA LYS A 44 15.093 25.230 -4.693 1.00 1.54 C ATOM 693 C LYS A 44 13.654 24.753 -4.858 1.00 60.12 C ATOM 694 O LYS A 44 12.956 25.163 -5.787 1.00 20.33 O ATOM 695 CB LYS A 44 15.117 26.555 -3.926 1.00 61.12 C ATOM 696 CG LYS A 44 14.432 27.695 -4.660 1.00 63.21 C ATOM 697 CD LYS A 44 12.950 27.757 -4.334 1.00 75.11 C ATOM 698 CE LYS A 44 12.521 29.166 -3.955 1.00 53.23 C ATOM 699 NZ LYS A 44 12.250 30.005 -5.156 1.00 32.04 N ATOM 0 H LYS A 44 15.222 25.956 -6.655 1.00 24.20 H new ATOM 0 HA LYS A 44 15.644 24.479 -4.127 1.00 1.54 H new ATOM 0 HB2 LYS A 44 14.634 26.414 -2.959 1.00 61.12 H new ATOM 0 HB3 LYS A 44 16.152 26.832 -3.728 1.00 61.12 H new ATOM 0 HG2 LYS A 44 14.905 28.639 -4.390 1.00 63.21 H new ATOM 0 HG3 LYS A 44 14.564 27.569 -5.735 1.00 63.21 H new ATOM 0 HD2 LYS A 44 12.373 27.419 -5.195 1.00 75.11 H new ATOM 0 HD3 LYS A 44 12.728 27.075 -3.513 1.00 75.11 H new ATOM 0 HE2 LYS A 44 11.626 29.119 -3.335 1.00 53.23 H new ATOM 0 HE3 LYS A 44 13.301 29.634 -3.354 1.00 53.23 H new ATOM 0 HZ1 LYS A 44 11.960 30.958 -4.856 1.00 32.04 H new ATOM 0 HZ2 LYS A 44 13.112 30.071 -5.735 1.00 32.04 H new ATOM 0 HZ3 LYS A 44 11.489 29.572 -5.717 1.00 32.04 H new ATOM 713 N LEU A 45 13.215 23.886 -3.952 1.00 64.13 N ATOM 714 CA LEU A 45 11.858 23.354 -3.997 1.00 71.41 C ATOM 715 C LEU A 45 10.834 24.448 -3.713 1.00 41.12 C ATOM 716 O LEU A 45 11.008 25.253 -2.797 1.00 34.10 O ATOM 717 CB LEU A 45 11.701 22.218 -2.985 1.00 32.51 C ATOM 718 CG LEU A 45 12.351 20.886 -3.364 1.00 3.55 C ATOM 719 CD1 LEU A 45 11.867 20.425 -4.729 1.00 44.35 C ATOM 720 CD2 LEU A 45 13.868 21.010 -3.347 1.00 11.32 C ATOM 0 H LEU A 45 13.779 23.537 -3.177 1.00 64.13 H new ATOM 0 HA LEU A 45 11.679 22.967 -5.000 1.00 71.41 H new ATOM 0 HB2 LEU A 45 12.119 22.546 -2.033 1.00 32.51 H new ATOM 0 HB3 LEU A 45 10.637 22.047 -2.823 1.00 32.51 H new ATOM 0 HG LEU A 45 12.059 20.138 -2.627 1.00 3.55 H new ATOM 0 HD11 LEU A 45 12.340 19.476 -4.981 1.00 44.35 H new ATOM 0 HD12 LEU A 45 10.785 20.296 -4.707 1.00 44.35 H new ATOM 0 HD13 LEU A 45 12.128 21.172 -5.479 1.00 44.35 H new ATOM 0 HD21 LEU A 45 14.314 20.053 -3.619 1.00 11.32 H new ATOM 0 HD22 LEU A 45 14.179 21.772 -4.062 1.00 11.32 H new ATOM 0 HD23 LEU A 45 14.199 21.294 -2.348 1.00 11.32 H new ATOM 732 N LEU A 46 9.766 24.471 -4.503 1.00 2.11 N ATOM 733 CA LEU A 46 8.712 25.466 -4.335 1.00 61.44 C ATOM 734 C LEU A 46 7.809 25.109 -3.159 1.00 4.44 C ATOM 735 O LEU A 46 7.795 25.802 -2.142 1.00 42.11 O ATOM 736 CB LEU A 46 7.881 25.577 -5.615 1.00 1.21 C ATOM 737 CG LEU A 46 8.507 26.384 -6.753 1.00 55.02 C ATOM 738 CD1 LEU A 46 8.844 27.792 -6.287 1.00 24.50 C ATOM 739 CD2 LEU A 46 9.749 25.683 -7.284 1.00 12.33 C ATOM 0 H LEU A 46 9.607 23.813 -5.266 1.00 2.11 H new ATOM 0 HA LEU A 46 9.183 26.427 -4.129 1.00 61.44 H new ATOM 0 HB2 LEU A 46 7.676 24.571 -5.980 1.00 1.21 H new ATOM 0 HB3 LEU A 46 6.920 26.026 -5.363 1.00 1.21 H new ATOM 0 HG LEU A 46 7.781 26.456 -7.563 1.00 55.02 H new ATOM 0 HD11 LEU A 46 9.288 28.351 -7.110 1.00 24.50 H new ATOM 0 HD12 LEU A 46 7.934 28.294 -5.957 1.00 24.50 H new ATOM 0 HD13 LEU A 46 9.551 27.742 -5.459 1.00 24.50 H new ATOM 0 HD21 LEU A 46 10.181 26.272 -8.093 1.00 12.33 H new ATOM 0 HD22 LEU A 46 10.479 25.579 -6.481 1.00 12.33 H new ATOM 0 HD23 LEU A 46 9.478 24.696 -7.658 1.00 12.33 H new ATOM 751 N GLY A 47 7.058 24.022 -3.304 1.00 11.05 N ATOM 752 CA GLY A 47 6.164 23.591 -2.244 1.00 43.33 C ATOM 753 C GLY A 47 6.737 22.447 -1.432 1.00 24.01 C ATOM 754 O GLY A 47 6.162 21.359 -1.386 1.00 71.12 O ATOM 0 H GLY A 47 7.052 23.432 -4.136 1.00 11.05 H new ATOM 0 HA2 GLY A 47 5.956 24.433 -1.584 1.00 43.33 H new ATOM 0 HA3 GLY A 47 5.212 23.284 -2.678 1.00 43.33 H new ATOM 758 N LEU A 48 7.875 22.691 -0.790 1.00 73.32 N ATOM 759 CA LEU A 48 8.528 21.671 0.024 1.00 55.13 C ATOM 760 C LEU A 48 7.606 21.195 1.143 1.00 45.25 C ATOM 761 O LEU A 48 7.819 20.133 1.728 1.00 45.04 O ATOM 762 CB LEU A 48 9.827 22.218 0.616 1.00 45.32 C ATOM 763 CG LEU A 48 9.686 23.425 1.544 1.00 23.04 C ATOM 764 CD1 LEU A 48 9.378 22.973 2.963 1.00 13.34 C ATOM 765 CD2 LEU A 48 10.951 24.271 1.515 1.00 13.22 C ATOM 0 H LEU A 48 8.364 23.586 -0.817 1.00 73.32 H new ATOM 0 HA LEU A 48 8.758 20.821 -0.618 1.00 55.13 H new ATOM 0 HB2 LEU A 48 10.317 21.416 1.168 1.00 45.32 H new ATOM 0 HB3 LEU A 48 10.490 22.492 -0.205 1.00 45.32 H new ATOM 0 HG LEU A 48 8.856 24.036 1.190 1.00 23.04 H new ATOM 0 HD11 LEU A 48 9.281 23.845 3.610 1.00 13.34 H new ATOM 0 HD12 LEU A 48 8.445 22.410 2.971 1.00 13.34 H new ATOM 0 HD13 LEU A 48 10.187 22.340 3.327 1.00 13.34 H new ATOM 0 HD21 LEU A 48 10.833 25.126 2.181 1.00 13.22 H new ATOM 0 HD22 LEU A 48 11.799 23.669 1.843 1.00 13.22 H new ATOM 0 HD23 LEU A 48 11.129 24.625 0.499 1.00 13.22 H new ATOM 777 N LYS A 49 6.580 21.987 1.434 1.00 3.31 N ATOM 778 CA LYS A 49 5.623 21.647 2.480 1.00 23.31 C ATOM 779 C LYS A 49 4.250 21.351 1.886 1.00 51.02 C ATOM 780 O LYS A 49 3.837 21.978 0.910 1.00 72.41 O ATOM 781 CB LYS A 49 5.517 22.788 3.494 1.00 10.00 C ATOM 782 CG LYS A 49 5.967 24.132 2.947 1.00 74.43 C ATOM 783 CD LYS A 49 5.624 25.265 3.899 1.00 22.35 C ATOM 784 CE LYS A 49 6.739 26.297 3.961 1.00 2.31 C ATOM 785 NZ LYS A 49 6.252 27.611 4.466 1.00 74.22 N ATOM 0 H LYS A 49 6.390 22.870 0.960 1.00 3.31 H new ATOM 0 HA LYS A 49 5.981 20.751 2.987 1.00 23.31 H new ATOM 0 HB2 LYS A 49 4.483 22.870 3.830 1.00 10.00 H new ATOM 0 HB3 LYS A 49 6.118 22.542 4.369 1.00 10.00 H new ATOM 0 HG2 LYS A 49 7.043 24.114 2.775 1.00 74.43 H new ATOM 0 HG3 LYS A 49 5.493 24.310 1.982 1.00 74.43 H new ATOM 0 HD2 LYS A 49 4.700 25.745 3.577 1.00 22.35 H new ATOM 0 HD3 LYS A 49 5.444 24.862 4.896 1.00 22.35 H new ATOM 0 HE2 LYS A 49 7.536 25.932 4.609 1.00 2.31 H new ATOM 0 HE3 LYS A 49 7.169 26.427 2.968 1.00 2.31 H new ATOM 0 HZ1 LYS A 49 7.042 28.287 4.493 1.00 74.22 H new ATOM 0 HZ2 LYS A 49 5.509 27.972 3.834 1.00 74.22 H new ATOM 0 HZ3 LYS A 49 5.864 27.493 5.424 1.00 74.22 H new ATOM 799 N VAL A 50 3.546 20.394 2.481 1.00 30.53 N ATOM 800 CA VAL A 50 2.218 20.017 2.012 1.00 32.13 C ATOM 801 C VAL A 50 1.305 19.657 3.179 1.00 54.11 C ATOM 802 O VAL A 50 1.751 19.101 4.183 1.00 74.34 O ATOM 803 CB VAL A 50 2.283 18.825 1.039 1.00 24.33 C ATOM 804 CG1 VAL A 50 2.736 17.567 1.765 1.00 4.11 C ATOM 805 CG2 VAL A 50 0.934 18.608 0.371 1.00 30.03 C ATOM 0 H VAL A 50 3.873 19.865 3.289 1.00 30.53 H new ATOM 0 HA VAL A 50 1.810 20.882 1.488 1.00 32.13 H new ATOM 0 HB VAL A 50 3.014 19.051 0.263 1.00 24.33 H new ATOM 0 HG11 VAL A 50 2.776 16.735 1.062 1.00 4.11 H new ATOM 0 HG12 VAL A 50 3.726 17.729 2.191 1.00 4.11 H new ATOM 0 HG13 VAL A 50 2.031 17.334 2.563 1.00 4.11 H new ATOM 0 HG21 VAL A 50 0.999 17.762 -0.313 1.00 30.03 H new ATOM 0 HG22 VAL A 50 0.180 18.403 1.131 1.00 30.03 H new ATOM 0 HG23 VAL A 50 0.655 19.503 -0.185 1.00 30.03 H new ATOM 815 N LYS A 51 0.023 19.978 3.040 1.00 33.13 N ATOM 816 CA LYS A 51 -0.956 19.687 4.081 1.00 10.52 C ATOM 817 C LYS A 51 -0.521 20.280 5.418 1.00 40.03 C ATOM 818 O LYS A 51 -0.807 19.724 6.477 1.00 33.20 O ATOM 819 CB LYS A 51 -1.150 18.176 4.220 1.00 22.24 C ATOM 820 CG LYS A 51 -1.753 17.524 2.988 1.00 24.11 C ATOM 821 CD LYS A 51 -3.115 18.110 2.657 1.00 43.32 C ATOM 822 CE LYS A 51 -3.891 17.213 1.705 1.00 52.40 C ATOM 823 NZ LYS A 51 -4.765 16.254 2.436 1.00 64.35 N ATOM 0 H LYS A 51 -0.362 20.440 2.216 1.00 33.13 H new ATOM 0 HA LYS A 51 -1.903 20.143 3.792 1.00 10.52 H new ATOM 0 HB2 LYS A 51 -0.186 17.712 4.431 1.00 22.24 H new ATOM 0 HB3 LYS A 51 -1.794 17.978 5.077 1.00 22.24 H new ATOM 0 HG2 LYS A 51 -1.082 17.658 2.139 1.00 24.11 H new ATOM 0 HG3 LYS A 51 -1.848 16.451 3.153 1.00 24.11 H new ATOM 0 HD2 LYS A 51 -3.686 18.248 3.575 1.00 43.32 H new ATOM 0 HD3 LYS A 51 -2.989 19.096 2.209 1.00 43.32 H new ATOM 0 HE2 LYS A 51 -4.500 17.828 1.042 1.00 52.40 H new ATOM 0 HE3 LYS A 51 -3.193 16.661 1.076 1.00 52.40 H new ATOM 0 HZ1 LYS A 51 -5.277 15.661 1.752 1.00 64.35 H new ATOM 0 HZ2 LYS A 51 -4.181 15.650 3.049 1.00 64.35 H new ATOM 0 HZ3 LYS A 51 -5.448 16.780 3.017 1.00 64.35 H new ATOM 837 N GLY A 52 0.172 21.414 5.360 1.00 33.42 N ATOM 838 CA GLY A 52 0.633 22.063 6.573 1.00 45.10 C ATOM 839 C GLY A 52 1.920 21.460 7.100 1.00 22.41 C ATOM 840 O GLY A 52 2.555 22.016 7.996 1.00 11.32 O ATOM 0 H GLY A 52 0.422 21.894 4.495 1.00 33.42 H new ATOM 0 HA2 GLY A 52 0.786 23.124 6.378 1.00 45.10 H new ATOM 0 HA3 GLY A 52 -0.140 21.988 7.338 1.00 45.10 H new ATOM 844 N LYS A 53 2.307 20.316 6.544 1.00 15.14 N ATOM 845 CA LYS A 53 3.526 19.635 6.963 1.00 33.23 C ATOM 846 C LYS A 53 4.751 20.252 6.296 1.00 14.43 C ATOM 847 O LYS A 53 4.679 20.796 5.194 1.00 1.31 O ATOM 848 CB LYS A 53 3.444 18.145 6.624 1.00 30.22 C ATOM 849 CG LYS A 53 2.435 17.384 7.467 1.00 62.42 C ATOM 850 CD LYS A 53 2.837 17.360 8.932 1.00 51.40 C ATOM 851 CE LYS A 53 2.775 15.953 9.505 1.00 74.22 C ATOM 852 NZ LYS A 53 4.086 15.255 9.404 1.00 22.45 N ATOM 0 H LYS A 53 1.793 19.841 5.802 1.00 15.14 H new ATOM 0 HA LYS A 53 3.625 19.751 8.042 1.00 33.23 H new ATOM 0 HB2 LYS A 53 3.183 18.034 5.572 1.00 30.22 H new ATOM 0 HB3 LYS A 53 4.428 17.696 6.757 1.00 30.22 H new ATOM 0 HG2 LYS A 53 1.453 17.846 7.366 1.00 62.42 H new ATOM 0 HG3 LYS A 53 2.346 16.363 7.096 1.00 62.42 H new ATOM 0 HD2 LYS A 53 3.848 17.753 9.039 1.00 51.40 H new ATOM 0 HD3 LYS A 53 2.178 18.015 9.502 1.00 51.40 H new ATOM 0 HE2 LYS A 53 2.468 16.000 10.550 1.00 74.22 H new ATOM 0 HE3 LYS A 53 2.016 15.378 8.975 1.00 74.22 H new ATOM 0 HZ1 LYS A 53 4.002 14.299 9.805 1.00 22.45 H new ATOM 0 HZ2 LYS A 53 4.367 15.188 8.405 1.00 22.45 H new ATOM 0 HZ3 LYS A 53 4.806 15.790 9.931 1.00 22.45 H new ATOM 866 N PRO A 54 5.903 20.167 6.978 1.00 72.54 N ATOM 867 CA PRO A 54 7.166 20.710 6.469 1.00 73.32 C ATOM 868 C PRO A 54 7.698 19.921 5.277 1.00 32.23 C ATOM 869 O PRO A 54 8.325 20.482 4.379 1.00 13.13 O ATOM 870 CB PRO A 54 8.115 20.580 7.663 1.00 75.31 C ATOM 871 CG PRO A 54 7.553 19.462 8.473 1.00 44.33 C ATOM 872 CD PRO A 54 6.062 19.532 8.297 1.00 54.00 C ATOM 0 HA PRO A 54 7.053 21.732 6.106 1.00 73.32 H new ATOM 0 HB2 PRO A 54 9.132 20.361 7.338 1.00 75.31 H new ATOM 0 HB3 PRO A 54 8.156 21.505 8.239 1.00 75.31 H new ATOM 0 HG2 PRO A 54 7.941 18.501 8.134 1.00 44.33 H new ATOM 0 HG3 PRO A 54 7.827 19.565 9.523 1.00 44.33 H new ATOM 0 HD2 PRO A 54 5.607 18.542 8.323 1.00 54.00 H new ATOM 0 HD3 PRO A 54 5.592 20.120 9.085 1.00 54.00 H new ATOM 880 N ALA A 55 7.443 18.616 5.276 1.00 43.42 N ATOM 881 CA ALA A 55 7.895 17.751 4.193 1.00 13.21 C ATOM 882 C ALA A 55 9.263 18.185 3.678 1.00 54.24 C ATOM 883 O ALA A 55 9.493 18.234 2.470 1.00 64.11 O ATOM 884 CB ALA A 55 6.878 17.749 3.061 1.00 63.41 C ATOM 0 H ALA A 55 6.926 18.135 6.012 1.00 43.42 H new ATOM 0 HA ALA A 55 7.989 16.738 4.584 1.00 13.21 H new ATOM 0 HB1 ALA A 55 7.228 17.099 2.259 1.00 63.41 H new ATOM 0 HB2 ALA A 55 5.921 17.384 3.433 1.00 63.41 H new ATOM 0 HB3 ALA A 55 6.756 18.763 2.680 1.00 63.41 H new ATOM 890 N GLU A 56 10.165 18.500 4.601 1.00 5.02 N ATOM 891 CA GLU A 56 11.510 18.932 4.238 1.00 22.41 C ATOM 892 C GLU A 56 12.231 17.851 3.437 1.00 32.22 C ATOM 893 O GLU A 56 12.363 17.951 2.218 1.00 3.34 O ATOM 894 CB GLU A 56 12.316 19.275 5.493 1.00 71.42 C ATOM 895 CG GLU A 56 13.684 19.865 5.195 1.00 22.41 C ATOM 896 CD GLU A 56 13.782 21.330 5.571 1.00 11.34 C ATOM 897 OE1 GLU A 56 12.759 22.039 5.465 1.00 70.11 O ATOM 898 OE2 GLU A 56 14.880 21.769 5.972 1.00 63.31 O ATOM 0 H GLU A 56 9.990 18.464 5.605 1.00 5.02 H new ATOM 0 HA GLU A 56 11.422 19.823 3.617 1.00 22.41 H new ATOM 0 HB2 GLU A 56 11.748 19.983 6.097 1.00 71.42 H new ATOM 0 HB3 GLU A 56 12.441 18.373 6.092 1.00 71.42 H new ATOM 0 HG2 GLU A 56 14.444 19.303 5.738 1.00 22.41 H new ATOM 0 HG3 GLU A 56 13.901 19.751 4.133 1.00 22.41 H new ATOM 905 N ASN A 57 12.695 16.818 4.133 1.00 70.22 N ATOM 906 CA ASN A 57 13.403 15.718 3.488 1.00 44.35 C ATOM 907 C ASN A 57 13.378 14.468 4.361 1.00 21.21 C ATOM 908 O ASN A 57 13.269 13.349 3.859 1.00 42.14 O ATOM 909 CB ASN A 57 14.850 16.119 3.193 1.00 3.32 C ATOM 910 CG ASN A 57 15.394 17.108 4.206 1.00 13.33 C ATOM 911 OD1 ASN A 57 15.630 18.274 3.888 1.00 73.22 O ATOM 912 ND2 ASN A 57 15.595 16.646 5.435 1.00 60.02 N ATOM 0 H ASN A 57 12.594 16.720 5.143 1.00 70.22 H new ATOM 0 HA ASN A 57 12.896 15.494 2.549 1.00 44.35 H new ATOM 0 HB2 ASN A 57 15.477 15.227 3.187 1.00 3.32 H new ATOM 0 HB3 ASN A 57 14.907 16.556 2.196 1.00 3.32 H new ATOM 0 HD21 ASN A 57 15.959 17.265 6.159 1.00 60.02 H new ATOM 0 HD22 ASN A 57 15.386 15.672 5.654 1.00 60.02 H new ATOM 919 N ASP A 58 13.479 14.666 5.671 1.00 70.32 N ATOM 920 CA ASP A 58 13.466 13.555 6.615 1.00 20.43 C ATOM 921 C ASP A 58 12.099 12.877 6.639 1.00 43.32 C ATOM 922 O ASP A 58 11.925 11.828 7.259 1.00 2.54 O ATOM 923 CB ASP A 58 13.830 14.045 8.017 1.00 3.05 C ATOM 924 CG ASP A 58 14.113 12.904 8.975 1.00 61.14 C ATOM 925 OD1 ASP A 58 15.281 12.466 9.048 1.00 75.34 O ATOM 926 OD2 ASP A 58 13.167 12.449 9.651 1.00 3.53 O ATOM 0 H ASP A 58 13.571 15.585 6.103 1.00 70.32 H new ATOM 0 HA ASP A 58 14.208 12.826 6.289 1.00 20.43 H new ATOM 0 HB2 ASP A 58 14.706 14.691 7.957 1.00 3.05 H new ATOM 0 HB3 ASP A 58 13.014 14.651 8.410 1.00 3.05 H new ATOM 931 N VAL A 59 11.132 13.485 5.959 1.00 34.24 N ATOM 932 CA VAL A 59 9.780 12.941 5.902 1.00 21.22 C ATOM 933 C VAL A 59 9.683 11.817 4.876 1.00 10.42 C ATOM 934 O VAL A 59 10.344 11.850 3.838 1.00 50.40 O ATOM 935 CB VAL A 59 8.750 14.031 5.552 1.00 4.41 C ATOM 936 CG1 VAL A 59 7.334 13.506 5.732 1.00 2.41 C ATOM 937 CG2 VAL A 59 8.980 15.272 6.401 1.00 11.44 C ATOM 0 H VAL A 59 11.259 14.354 5.440 1.00 34.24 H new ATOM 0 HA VAL A 59 9.556 12.545 6.893 1.00 21.22 H new ATOM 0 HB VAL A 59 8.879 14.306 4.505 1.00 4.41 H new ATOM 0 HG11 VAL A 59 6.620 14.290 5.480 1.00 2.41 H new ATOM 0 HG12 VAL A 59 7.178 12.649 5.077 1.00 2.41 H new ATOM 0 HG13 VAL A 59 7.188 13.202 6.768 1.00 2.41 H new ATOM 0 HG21 VAL A 59 8.244 16.032 6.141 1.00 11.44 H new ATOM 0 HG22 VAL A 59 8.879 15.015 7.456 1.00 11.44 H new ATOM 0 HG23 VAL A 59 9.982 15.659 6.216 1.00 11.44 H new ATOM 947 N LYS A 60 8.854 10.823 5.173 1.00 33.41 N ATOM 948 CA LYS A 60 8.667 9.688 4.276 1.00 10.04 C ATOM 949 C LYS A 60 7.525 9.949 3.299 1.00 4.10 C ATOM 950 O LYS A 60 6.582 10.677 3.611 1.00 51.13 O ATOM 951 CB LYS A 60 8.383 8.417 5.081 1.00 43.33 C ATOM 952 CG LYS A 60 9.547 7.977 5.952 1.00 33.41 C ATOM 953 CD LYS A 60 9.452 6.502 6.305 1.00 34.21 C ATOM 954 CE LYS A 60 9.216 6.299 7.794 1.00 42.10 C ATOM 955 NZ LYS A 60 8.009 7.030 8.269 1.00 2.53 N ATOM 0 H LYS A 60 8.300 10.780 6.028 1.00 33.41 H new ATOM 0 HA LYS A 60 9.586 9.552 3.706 1.00 10.04 H new ATOM 0 HB2 LYS A 60 7.510 8.584 5.712 1.00 43.33 H new ATOM 0 HB3 LYS A 60 8.129 7.610 4.393 1.00 43.33 H new ATOM 0 HG2 LYS A 60 10.485 8.168 5.431 1.00 33.41 H new ATOM 0 HG3 LYS A 60 9.564 8.571 6.866 1.00 33.41 H new ATOM 0 HD2 LYS A 60 8.640 6.043 5.741 1.00 34.21 H new ATOM 0 HD3 LYS A 60 10.371 5.996 6.009 1.00 34.21 H new ATOM 0 HE2 LYS A 60 9.101 5.235 8.002 1.00 42.10 H new ATOM 0 HE3 LYS A 60 10.089 6.640 8.350 1.00 42.10 H new ATOM 0 HZ1 LYS A 60 7.625 6.556 9.111 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 8.268 8.008 8.511 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 7.290 7.038 7.518 1.00 2.53 H new ATOM 969 N LEU A 61 7.616 9.350 2.117 1.00 43.12 N ATOM 970 CA LEU A 61 6.590 9.517 1.094 1.00 72.42 C ATOM 971 C LEU A 61 5.204 9.223 1.660 1.00 41.11 C ATOM 972 O LEU A 61 4.254 9.968 1.421 1.00 24.15 O ATOM 973 CB LEU A 61 6.873 8.597 -0.095 1.00 72.32 C ATOM 974 CG LEU A 61 8.333 8.505 -0.540 1.00 72.11 C ATOM 975 CD1 LEU A 61 8.459 7.637 -1.783 1.00 14.14 C ATOM 976 CD2 LEU A 61 8.900 9.893 -0.797 1.00 43.22 C ATOM 0 H LEU A 61 8.390 8.744 1.843 1.00 43.12 H new ATOM 0 HA LEU A 61 6.613 10.553 0.757 1.00 72.42 H new ATOM 0 HB2 LEU A 61 6.527 7.594 0.157 1.00 72.32 H new ATOM 0 HB3 LEU A 61 6.277 8.937 -0.942 1.00 72.32 H new ATOM 0 HG LEU A 61 8.909 8.042 0.261 1.00 72.11 H new ATOM 0 HD11 LEU A 61 9.505 7.583 -2.085 1.00 14.14 H new ATOM 0 HD12 LEU A 61 8.092 6.634 -1.565 1.00 14.14 H new ATOM 0 HD13 LEU A 61 7.870 8.071 -2.591 1.00 14.14 H new ATOM 0 HD21 LEU A 61 9.940 9.809 -1.113 1.00 43.22 H new ATOM 0 HD22 LEU A 61 8.322 10.383 -1.580 1.00 43.22 H new ATOM 0 HD23 LEU A 61 8.845 10.483 0.118 1.00 43.22 H new ATOM 988 N GLY A 62 5.097 8.133 2.413 1.00 31.33 N ATOM 989 CA GLY A 62 3.824 7.761 3.004 1.00 42.24 C ATOM 990 C GLY A 62 3.487 8.593 4.225 1.00 31.11 C ATOM 991 O GLY A 62 2.362 8.550 4.722 1.00 51.21 O ATOM 0 H GLY A 62 5.869 7.501 2.625 1.00 31.33 H new ATOM 0 HA2 GLY A 62 3.035 7.875 2.261 1.00 42.24 H new ATOM 0 HA3 GLY A 62 3.850 6.707 3.282 1.00 42.24 H new ATOM 995 N ALA A 63 4.464 9.351 4.712 1.00 64.54 N ATOM 996 CA ALA A 63 4.265 10.196 5.882 1.00 23.33 C ATOM 997 C ALA A 63 3.594 11.511 5.502 1.00 34.11 C ATOM 998 O ALA A 63 2.788 12.051 6.262 1.00 61.33 O ATOM 999 CB ALA A 63 5.594 10.460 6.574 1.00 3.34 C ATOM 0 H ALA A 63 5.402 9.397 4.314 1.00 64.54 H new ATOM 0 HA ALA A 63 3.606 9.669 6.572 1.00 23.33 H new ATOM 0 HB1 ALA A 63 5.431 11.093 7.446 1.00 3.34 H new ATOM 0 HB2 ALA A 63 6.034 9.514 6.889 1.00 3.34 H new ATOM 0 HB3 ALA A 63 6.271 10.963 5.883 1.00 3.34 H new ATOM 1005 N LEU A 64 3.930 12.022 4.323 1.00 0.32 N ATOM 1006 CA LEU A 64 3.360 13.276 3.842 1.00 35.21 C ATOM 1007 C LEU A 64 1.906 13.086 3.421 1.00 52.21 C ATOM 1008 O LEU A 64 1.120 14.034 3.417 1.00 2.23 O ATOM 1009 CB LEU A 64 4.177 13.813 2.666 1.00 2.13 C ATOM 1010 CG LEU A 64 5.670 13.483 2.681 1.00 43.52 C ATOM 1011 CD1 LEU A 64 6.091 12.854 1.362 1.00 51.23 C ATOM 1012 CD2 LEU A 64 6.490 14.734 2.962 1.00 12.44 C ATOM 0 H LEU A 64 4.594 11.588 3.682 1.00 0.32 H new ATOM 0 HA LEU A 64 3.392 13.998 4.658 1.00 35.21 H new ATOM 0 HB2 LEU A 64 3.748 13.423 1.743 1.00 2.13 H new ATOM 0 HB3 LEU A 64 4.065 14.897 2.636 1.00 2.13 H new ATOM 0 HG LEU A 64 5.855 12.764 3.479 1.00 43.52 H new ATOM 0 HD11 LEU A 64 7.156 12.626 1.391 1.00 51.23 H new ATOM 0 HD12 LEU A 64 5.528 11.935 1.201 1.00 51.23 H new ATOM 0 HD13 LEU A 64 5.891 13.550 0.547 1.00 51.23 H new ATOM 0 HD21 LEU A 64 7.550 14.480 2.969 1.00 12.44 H new ATOM 0 HD22 LEU A 64 6.300 15.476 2.186 1.00 12.44 H new ATOM 0 HD23 LEU A 64 6.209 15.143 3.932 1.00 12.44 H new ATOM 1024 N LYS A 65 1.553 11.855 3.068 1.00 23.32 N ATOM 1025 CA LYS A 65 0.193 11.538 2.648 1.00 3.25 C ATOM 1026 C LYS A 65 -0.178 12.305 1.383 1.00 11.14 C ATOM 1027 O LYS A 65 -1.313 12.758 1.231 1.00 52.54 O ATOM 1028 CB LYS A 65 -0.798 11.868 3.767 1.00 5.31 C ATOM 1029 CG LYS A 65 -0.390 11.318 5.123 1.00 44.12 C ATOM 1030 CD LYS A 65 -0.476 9.802 5.158 1.00 22.51 C ATOM 1031 CE LYS A 65 0.068 9.243 6.464 1.00 35.42 C ATOM 1032 NZ LYS A 65 -0.985 9.163 7.514 1.00 15.32 N ATOM 0 H LYS A 65 2.191 11.059 3.064 1.00 23.32 H new ATOM 0 HA LYS A 65 0.145 10.471 2.432 1.00 3.25 H new ATOM 0 HB2 LYS A 65 -0.903 12.950 3.840 1.00 5.31 H new ATOM 0 HB3 LYS A 65 -1.778 11.470 3.503 1.00 5.31 H new ATOM 0 HG2 LYS A 65 0.629 11.631 5.352 1.00 44.12 H new ATOM 0 HG3 LYS A 65 -1.034 11.738 5.896 1.00 44.12 H new ATOM 0 HD2 LYS A 65 -1.514 9.492 5.033 1.00 22.51 H new ATOM 0 HD3 LYS A 65 0.084 9.385 4.321 1.00 22.51 H new ATOM 0 HE2 LYS A 65 0.483 8.250 6.289 1.00 35.42 H new ATOM 0 HE3 LYS A 65 0.885 9.873 6.816 1.00 35.42 H new ATOM 0 HZ1 LYS A 65 -0.575 8.777 8.388 1.00 15.32 H new ATOM 0 HZ2 LYS A 65 -1.364 10.114 7.699 1.00 15.32 H new ATOM 0 HZ3 LYS A 65 -1.753 8.542 7.189 1.00 15.32 H new ATOM 1046 N LEU A 66 0.784 12.446 0.478 1.00 22.25 N ATOM 1047 CA LEU A 66 0.558 13.157 -0.775 1.00 74.21 C ATOM 1048 C LEU A 66 0.043 12.209 -1.854 1.00 23.34 C ATOM 1049 O LEU A 66 0.311 11.008 -1.819 1.00 61.50 O ATOM 1050 CB LEU A 66 1.850 13.828 -1.244 1.00 54.31 C ATOM 1051 CG LEU A 66 1.928 15.343 -1.050 1.00 33.14 C ATOM 1052 CD1 LEU A 66 3.309 15.858 -1.422 1.00 3.33 C ATOM 1053 CD2 LEU A 66 0.856 16.042 -1.873 1.00 11.30 C ATOM 0 H LEU A 66 1.728 12.077 0.589 1.00 22.25 H new ATOM 0 HA LEU A 66 -0.198 13.922 -0.599 1.00 74.21 H new ATOM 0 HB2 LEU A 66 2.686 13.371 -0.715 1.00 54.31 H new ATOM 0 HB3 LEU A 66 1.985 13.610 -2.303 1.00 54.31 H new ATOM 0 HG LEU A 66 1.752 15.565 0.002 1.00 33.14 H new ATOM 0 HD11 LEU A 66 3.346 16.938 -1.278 1.00 3.33 H new ATOM 0 HD12 LEU A 66 4.058 15.382 -0.789 1.00 3.33 H new ATOM 0 HD13 LEU A 66 3.515 15.624 -2.467 1.00 3.33 H new ATOM 0 HD21 LEU A 66 0.927 17.119 -1.723 1.00 11.30 H new ATOM 0 HD22 LEU A 66 1.001 15.813 -2.929 1.00 11.30 H new ATOM 0 HD23 LEU A 66 -0.128 15.695 -1.558 1.00 11.30 H new ATOM 1065 N LYS A 67 -0.695 12.757 -2.813 1.00 32.24 N ATOM 1066 CA LYS A 67 -1.245 11.962 -3.904 1.00 61.14 C ATOM 1067 C LYS A 67 -0.136 11.459 -4.823 1.00 40.44 C ATOM 1068 O LYS A 67 0.974 11.992 -4.846 1.00 14.50 O ATOM 1069 CB LYS A 67 -2.252 12.788 -4.707 1.00 51.24 C ATOM 1070 CG LYS A 67 -3.699 12.504 -4.344 1.00 32.01 C ATOM 1071 CD LYS A 67 -4.203 13.459 -3.275 1.00 34.44 C ATOM 1072 CE LYS A 67 -5.300 12.824 -2.433 1.00 61.10 C ATOM 1073 NZ LYS A 67 -6.397 13.785 -2.135 1.00 53.52 N ATOM 0 H LYS A 67 -0.926 13.749 -2.857 1.00 32.24 H new ATOM 0 HA LYS A 67 -1.754 11.100 -3.472 1.00 61.14 H new ATOM 0 HB2 LYS A 67 -2.048 13.847 -4.550 1.00 51.24 H new ATOM 0 HB3 LYS A 67 -2.107 12.590 -5.769 1.00 51.24 H new ATOM 0 HG2 LYS A 67 -4.322 12.591 -5.234 1.00 32.01 H new ATOM 0 HG3 LYS A 67 -3.791 11.478 -3.989 1.00 32.01 H new ATOM 0 HD2 LYS A 67 -3.375 13.756 -2.632 1.00 34.44 H new ATOM 0 HD3 LYS A 67 -4.583 14.366 -3.745 1.00 34.44 H new ATOM 0 HE2 LYS A 67 -5.707 11.960 -2.958 1.00 61.10 H new ATOM 0 HE3 LYS A 67 -4.875 12.458 -1.499 1.00 61.10 H new ATOM 0 HZ1 LYS A 67 -7.124 13.314 -1.560 1.00 53.52 H new ATOM 0 HZ2 LYS A 67 -6.014 14.598 -1.611 1.00 53.52 H new ATOM 0 HZ3 LYS A 67 -6.820 14.116 -3.026 1.00 53.52 H new ATOM 1087 N PRO A 68 -0.441 10.410 -5.601 1.00 62.01 N ATOM 1088 CA PRO A 68 0.517 9.814 -6.538 1.00 15.32 C ATOM 1089 C PRO A 68 0.816 10.729 -7.721 1.00 33.22 C ATOM 1090 O PRO A 68 1.941 10.771 -8.215 1.00 43.41 O ATOM 1091 CB PRO A 68 -0.194 8.543 -7.011 1.00 3.44 C ATOM 1092 CG PRO A 68 -1.644 8.831 -6.832 1.00 14.41 C ATOM 1093 CD PRO A 68 -1.744 9.724 -5.626 1.00 42.42 C ATOM 0 HA PRO A 68 1.484 9.629 -6.070 1.00 15.32 H new ATOM 0 HB2 PRO A 68 0.040 8.323 -8.053 1.00 3.44 H new ATOM 0 HB3 PRO A 68 0.113 7.677 -6.425 1.00 3.44 H new ATOM 0 HG2 PRO A 68 -2.056 9.320 -7.715 1.00 14.41 H new ATOM 0 HG3 PRO A 68 -2.209 7.911 -6.684 1.00 14.41 H new ATOM 0 HD2 PRO A 68 -2.569 10.431 -5.717 1.00 42.42 H new ATOM 0 HD3 PRO A 68 -1.914 9.151 -4.715 1.00 42.42 H new ATOM 1101 N ASN A 69 -0.200 11.460 -8.170 1.00 22.54 N ATOM 1102 CA ASN A 69 -0.045 12.374 -9.295 1.00 62.23 C ATOM 1103 C ASN A 69 0.628 13.670 -8.855 1.00 1.15 C ATOM 1104 O ASN A 69 1.111 14.445 -9.681 1.00 64.31 O ATOM 1105 CB ASN A 69 -1.407 12.680 -9.921 1.00 42.34 C ATOM 1106 CG ASN A 69 -2.417 13.165 -8.900 1.00 1.44 C ATOM 1107 OD1 ASN A 69 -2.105 13.999 -8.049 1.00 41.34 O ATOM 1108 ND2 ASN A 69 -3.635 12.643 -8.979 1.00 14.45 N ATOM 0 H ASN A 69 -1.139 11.437 -7.772 1.00 22.54 H new ATOM 0 HA ASN A 69 0.589 11.891 -10.039 1.00 62.23 H new ATOM 0 HB2 ASN A 69 -1.286 13.437 -10.696 1.00 42.34 H new ATOM 0 HB3 ASN A 69 -1.789 11.783 -10.409 1.00 42.34 H new ATOM 0 HD21 ASN A 69 -4.357 12.930 -8.318 1.00 14.45 H new ATOM 0 HD22 ASN A 69 -3.849 11.955 -9.701 1.00 14.45 H new ATOM 1115 N THR A 70 0.657 13.900 -7.545 1.00 53.45 N ATOM 1116 CA THR A 70 1.269 15.102 -6.994 1.00 45.31 C ATOM 1117 C THR A 70 2.449 15.559 -7.846 1.00 34.54 C ATOM 1118 O THR A 70 3.419 14.823 -8.026 1.00 4.03 O ATOM 1119 CB THR A 70 1.752 14.875 -5.549 1.00 61.41 C ATOM 1120 OG1 THR A 70 0.631 14.638 -4.690 1.00 3.42 O ATOM 1121 CG2 THR A 70 2.539 16.075 -5.046 1.00 3.10 C ATOM 0 H THR A 70 0.264 13.269 -6.847 1.00 53.45 H new ATOM 0 HA THR A 70 0.502 15.876 -6.996 1.00 45.31 H new ATOM 0 HB THR A 70 2.406 14.003 -5.541 1.00 61.41 H new ATOM 0 HG1 THR A 70 0.712 13.750 -4.284 1.00 3.42 H new ATOM 0 HG21 THR A 70 2.869 15.891 -4.024 1.00 3.10 H new ATOM 0 HG22 THR A 70 3.408 16.234 -5.685 1.00 3.10 H new ATOM 0 HG23 THR A 70 1.905 16.961 -5.068 1.00 3.10 H new ATOM 1129 N LYS A 71 2.359 16.777 -8.368 1.00 11.13 N ATOM 1130 CA LYS A 71 3.419 17.334 -9.199 1.00 63.45 C ATOM 1131 C LYS A 71 4.416 18.121 -8.355 1.00 42.34 C ATOM 1132 O LYS A 71 4.044 18.747 -7.362 1.00 43.23 O ATOM 1133 CB LYS A 71 2.825 18.237 -10.282 1.00 43.51 C ATOM 1134 CG LYS A 71 1.583 17.663 -10.940 1.00 71.52 C ATOM 1135 CD LYS A 71 0.326 18.383 -10.483 1.00 54.23 C ATOM 1136 CE LYS A 71 -0.850 18.092 -11.404 1.00 25.21 C ATOM 1137 NZ LYS A 71 -0.757 18.854 -12.680 1.00 63.20 N ATOM 0 H LYS A 71 1.562 17.398 -8.230 1.00 11.13 H new ATOM 0 HA LYS A 71 3.946 16.507 -9.674 1.00 63.45 H new ATOM 0 HB2 LYS A 71 2.579 19.204 -9.842 1.00 43.51 H new ATOM 0 HB3 LYS A 71 3.580 18.418 -11.047 1.00 43.51 H new ATOM 0 HG2 LYS A 71 1.675 17.742 -12.023 1.00 71.52 H new ATOM 0 HG3 LYS A 71 1.502 16.602 -10.703 1.00 71.52 H new ATOM 0 HD2 LYS A 71 0.078 18.076 -9.467 1.00 54.23 H new ATOM 0 HD3 LYS A 71 0.510 19.457 -10.455 1.00 54.23 H new ATOM 0 HE2 LYS A 71 -0.886 17.024 -11.620 1.00 25.21 H new ATOM 0 HE3 LYS A 71 -1.780 18.346 -10.896 1.00 25.21 H new ATOM 0 HZ1 LYS A 71 -1.624 18.708 -13.236 1.00 63.20 H new ATOM 0 HZ2 LYS A 71 -0.646 19.867 -12.472 1.00 63.20 H new ATOM 0 HZ3 LYS A 71 0.064 18.520 -13.225 1.00 63.20 H new ATOM 1151 N ILE A 72 5.682 18.087 -8.757 1.00 61.14 N ATOM 1152 CA ILE A 72 6.731 18.800 -8.039 1.00 31.12 C ATOM 1153 C ILE A 72 7.361 19.878 -8.914 1.00 1.33 C ATOM 1154 O ILE A 72 7.743 19.621 -10.055 1.00 23.02 O ATOM 1155 CB ILE A 72 7.833 17.840 -7.553 1.00 11.12 C ATOM 1156 CG1 ILE A 72 7.219 16.680 -6.767 1.00 32.04 C ATOM 1157 CG2 ILE A 72 8.847 18.587 -6.700 1.00 23.13 C ATOM 1158 CD1 ILE A 72 6.523 17.113 -5.495 1.00 62.11 C ATOM 0 H ILE A 72 6.006 17.573 -9.576 1.00 61.14 H new ATOM 0 HA ILE A 72 6.260 19.267 -7.174 1.00 31.12 H new ATOM 0 HB ILE A 72 8.349 17.432 -8.422 1.00 11.12 H new ATOM 0 HG12 ILE A 72 6.504 16.159 -7.403 1.00 32.04 H new ATOM 0 HG13 ILE A 72 8.003 15.966 -6.517 1.00 32.04 H new ATOM 0 HG21 ILE A 72 9.620 17.895 -6.364 1.00 23.13 H new ATOM 0 HG22 ILE A 72 9.303 19.382 -7.290 1.00 23.13 H new ATOM 0 HG23 ILE A 72 8.346 19.020 -5.834 1.00 23.13 H new ATOM 0 HD11 ILE A 72 6.112 16.239 -4.990 1.00 62.11 H new ATOM 0 HD12 ILE A 72 7.239 17.608 -4.839 1.00 62.11 H new ATOM 0 HD13 ILE A 72 5.716 17.804 -5.739 1.00 62.11 H new ATOM 1170 N MET A 73 7.468 21.086 -8.370 1.00 12.22 N ATOM 1171 CA MET A 73 8.055 22.204 -9.100 1.00 61.51 C ATOM 1172 C MET A 73 9.470 22.492 -8.608 1.00 33.55 C ATOM 1173 O MET A 73 9.750 22.405 -7.412 1.00 41.24 O ATOM 1174 CB MET A 73 7.185 23.453 -8.949 1.00 4.15 C ATOM 1175 CG MET A 73 5.753 23.257 -9.418 1.00 11.13 C ATOM 1176 SD MET A 73 4.612 24.444 -8.682 1.00 5.12 S ATOM 1177 CE MET A 73 3.399 23.344 -7.957 1.00 62.42 C ATOM 0 H MET A 73 7.156 21.316 -7.426 1.00 12.22 H new ATOM 0 HA MET A 73 8.105 21.931 -10.154 1.00 61.51 H new ATOM 0 HB2 MET A 73 7.177 23.756 -7.902 1.00 4.15 H new ATOM 0 HB3 MET A 73 7.635 24.270 -9.514 1.00 4.15 H new ATOM 0 HG2 MET A 73 5.715 23.347 -10.504 1.00 11.13 H new ATOM 0 HG3 MET A 73 5.429 22.246 -9.171 1.00 11.13 H new ATOM 0 HE1 MET A 73 2.625 23.931 -7.463 1.00 62.42 H new ATOM 0 HE2 MET A 73 2.948 22.734 -8.739 1.00 62.42 H new ATOM 0 HE3 MET A 73 3.885 22.697 -7.227 1.00 62.42 H new ATOM 1187 N MET A 74 10.357 22.833 -9.536 1.00 53.52 N ATOM 1188 CA MET A 74 11.742 23.135 -9.195 1.00 22.10 C ATOM 1189 C MET A 74 12.210 24.407 -9.895 1.00 20.03 C ATOM 1190 O MET A 74 12.151 24.510 -11.120 1.00 15.24 O ATOM 1191 CB MET A 74 12.650 21.965 -9.578 1.00 23.30 C ATOM 1192 CG MET A 74 12.281 20.659 -8.893 1.00 11.25 C ATOM 1193 SD MET A 74 13.328 19.284 -9.407 1.00 53.21 S ATOM 1194 CE MET A 74 12.747 19.025 -11.081 1.00 70.35 C ATOM 0 H MET A 74 10.142 22.907 -10.530 1.00 53.52 H new ATOM 0 HA MET A 74 11.799 23.293 -8.118 1.00 22.10 H new ATOM 0 HB2 MET A 74 12.610 21.823 -10.658 1.00 23.30 H new ATOM 0 HB3 MET A 74 13.680 22.218 -9.328 1.00 23.30 H new ATOM 0 HG2 MET A 74 12.358 20.785 -7.813 1.00 11.25 H new ATOM 0 HG3 MET A 74 11.240 20.420 -9.112 1.00 11.25 H new ATOM 0 HE1 MET A 74 12.776 17.961 -11.316 1.00 70.35 H new ATOM 0 HE2 MET A 74 11.724 19.389 -11.171 1.00 70.35 H new ATOM 0 HE3 MET A 74 13.388 19.567 -11.776 1.00 70.35 H new ATOM 1204 N MET A 75 12.675 25.373 -9.109 1.00 33.32 N ATOM 1205 CA MET A 75 13.153 26.638 -9.654 1.00 64.44 C ATOM 1206 C MET A 75 14.664 26.766 -9.484 1.00 52.14 C ATOM 1207 O MET A 75 15.184 26.663 -8.374 1.00 41.53 O ATOM 1208 CB MET A 75 12.450 27.811 -8.971 1.00 13.45 C ATOM 1209 CG MET A 75 10.955 27.866 -9.242 1.00 62.15 C ATOM 1210 SD MET A 75 10.506 29.182 -10.390 1.00 14.43 S ATOM 1211 CE MET A 75 9.648 30.309 -9.293 1.00 3.23 C ATOM 0 H MET A 75 12.731 25.304 -8.093 1.00 33.32 H new ATOM 0 HA MET A 75 12.922 26.657 -10.719 1.00 64.44 H new ATOM 0 HB2 MET A 75 12.614 27.745 -7.895 1.00 13.45 H new ATOM 0 HB3 MET A 75 12.906 28.742 -9.307 1.00 13.45 H new ATOM 0 HG2 MET A 75 10.627 26.908 -9.647 1.00 62.15 H new ATOM 0 HG3 MET A 75 10.424 28.013 -8.301 1.00 62.15 H new ATOM 0 HE1 MET A 75 9.323 31.186 -9.853 1.00 3.23 H new ATOM 0 HE2 MET A 75 8.779 29.809 -8.865 1.00 3.23 H new ATOM 0 HE3 MET A 75 10.319 30.619 -8.492 1.00 3.23 H new ATOM 1221 N GLY A 76 15.363 26.991 -10.593 1.00 11.01 N ATOM 1222 CA GLY A 76 16.807 27.129 -10.544 1.00 53.21 C ATOM 1223 C GLY A 76 17.448 26.995 -11.911 1.00 24.43 C ATOM 1224 O GLY A 76 16.816 27.265 -12.932 1.00 51.32 O ATOM 0 H GLY A 76 14.955 27.080 -11.524 1.00 11.01 H new ATOM 0 HA2 GLY A 76 17.062 28.100 -10.120 1.00 53.21 H new ATOM 0 HA3 GLY A 76 17.219 26.372 -9.877 1.00 53.21 H new ATOM 1228 N THR A 77 18.710 26.576 -11.932 1.00 3.42 N ATOM 1229 CA THR A 77 19.439 26.409 -13.183 1.00 3.33 C ATOM 1230 C THR A 77 20.197 25.087 -13.205 1.00 72.40 C ATOM 1231 O THR A 77 20.716 24.640 -12.182 1.00 10.52 O ATOM 1232 CB THR A 77 20.435 27.562 -13.411 1.00 1.11 C ATOM 1233 OG1 THR A 77 21.233 27.298 -14.570 1.00 53.15 O ATOM 1234 CG2 THR A 77 21.337 27.746 -12.200 1.00 21.22 C ATOM 0 H THR A 77 19.248 26.346 -11.096 1.00 3.42 H new ATOM 0 HA THR A 77 18.699 26.414 -13.983 1.00 3.33 H new ATOM 0 HB THR A 77 19.866 28.479 -13.563 1.00 1.11 H new ATOM 0 HG1 THR A 77 21.862 28.036 -14.709 1.00 53.15 H new ATOM 0 HG21 THR A 77 22.031 28.566 -12.385 1.00 21.22 H new ATOM 0 HG22 THR A 77 20.729 27.976 -11.325 1.00 21.22 H new ATOM 0 HG23 THR A 77 21.898 26.829 -12.021 1.00 21.22 H new