USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 83 ASN : amide:sc= -0.116 X(o=-0.19,f=-0.076) USER MOD Set 1.2: A 89 THR OG1 : rot -130:sc= -0.0759 USER MOD Single : A 4 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.15) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.271 F(o=-0.82,f=-0.27) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= -0.0682 (180deg=-0.376) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.0744 (180deg=-0.0744) USER MOD Single : A 34 ASN : amide:sc= -4.85 K(o=-4.8,f=-6.6) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 10:sc= 1.71 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.18 K(o=-2.2,f=-13!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.0095) USER MOD Single : A 80 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.5!) USER MOD Single : A 82 MET CE :methyl 160:sc= -1.34 (180deg=-2.36!) USER MOD Single : A 85 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.11) USER MOD Single : A 87 LYS NZ :NH3+ -100:sc= -0.168 (180deg=-0.679) USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 0.292 (180deg=0.236) USER MOD Single : A 91 SER OG : rot 122:sc= -0.96 USER MOD Single : A 92 ASN : amide:sc= -1.4 K(o=-1.4,f=-3.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc=-0.00835 F(o=-0.64,f=-0.0083) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.899 -3.091 4.667 1.00 74.41 N ATOM 19 CA ALA A 3 10.368 -4.435 4.478 1.00 51.32 C ATOM 20 C ALA A 3 9.669 -4.932 5.738 1.00 34.15 C ATOM 21 O ALA A 3 10.152 -5.844 6.408 1.00 11.41 O ATOM 22 CB ALA A 3 11.483 -5.392 4.078 1.00 11.24 C ATOM 0 HA ALA A 3 9.631 -4.398 3.676 1.00 51.32 H new ATOM 0 HB1 ALA A 3 11.072 -6.392 3.940 1.00 11.24 H new ATOM 0 HB2 ALA A 3 11.936 -5.054 3.146 1.00 11.24 H new ATOM 0 HB3 ALA A 3 12.241 -5.416 4.861 1.00 11.24 H new ATOM 28 N GLN A 4 8.530 -4.325 6.056 1.00 72.53 N ATOM 29 CA GLN A 4 7.766 -4.704 7.238 1.00 51.44 C ATOM 30 C GLN A 4 6.707 -5.744 6.889 1.00 2.24 C ATOM 31 O GLN A 4 5.970 -5.591 5.915 1.00 53.03 O ATOM 32 CB GLN A 4 7.105 -3.474 7.862 1.00 63.53 C ATOM 33 CG GLN A 4 7.359 -3.337 9.354 1.00 1.04 C ATOM 34 CD GLN A 4 6.563 -2.208 9.979 1.00 10.25 C ATOM 35 OE1 GLN A 4 7.123 -1.187 10.379 1.00 32.13 O ATOM 36 NE2 GLN A 4 5.250 -2.388 10.070 1.00 50.01 N ATOM 0 H GLN A 4 8.116 -3.569 5.511 1.00 72.53 H new ATOM 0 HA GLN A 4 8.455 -5.141 7.961 1.00 51.44 H new ATOM 0 HB2 GLN A 4 7.470 -2.580 7.356 1.00 63.53 H new ATOM 0 HB3 GLN A 4 6.030 -3.522 7.688 1.00 63.53 H new ATOM 0 HG2 GLN A 4 7.105 -4.274 9.850 1.00 1.04 H new ATOM 0 HG3 GLN A 4 8.422 -3.165 9.524 1.00 1.04 H new ATOM 0 HE21 GLN A 4 4.828 -3.250 9.725 1.00 50.01 H new ATOM 0 HE22 GLN A 4 4.663 -1.664 10.485 1.00 50.01 H new ATOM 43 N ASN A 5 6.635 -6.801 7.692 1.00 51.11 N ATOM 44 CA ASN A 5 5.665 -7.867 7.467 1.00 71.32 C ATOM 45 C ASN A 5 4.360 -7.578 8.203 1.00 20.41 C ATOM 46 O ASN A 5 4.344 -7.430 9.426 1.00 42.12 O ATOM 47 CB ASN A 5 6.236 -9.210 7.927 1.00 73.23 C ATOM 48 CG ASN A 5 6.839 -9.136 9.316 1.00 15.32 C ATOM 49 OD1 ASN A 5 8.113 -8.767 9.390 1.00 61.00 O flip ATOM 50 ND2 ASN A 5 6.167 -9.408 10.312 1.00 2.52 N flip ATOM 0 H ASN A 5 7.236 -6.942 8.504 1.00 51.11 H new ATOM 0 HA ASN A 5 5.456 -7.915 6.398 1.00 71.32 H new ATOM 0 HB2 ASN A 5 5.446 -9.961 7.916 1.00 73.23 H new ATOM 0 HB3 ASN A 5 6.998 -9.539 7.220 1.00 73.23 H new ATOM 0 HD21 ASN A 5 5.191 -9.687 10.208 1.00 2.52 H new ATOM 0 HD22 ASN A 5 6.586 -9.354 11.240 1.00 2.52 H new ATOM 56 N ILE A 6 3.267 -7.501 7.450 1.00 73.21 N ATOM 57 CA ILE A 6 1.958 -7.233 8.030 1.00 1.04 C ATOM 58 C ILE A 6 0.949 -8.303 7.630 1.00 45.33 C ATOM 59 O ILE A 6 0.710 -8.535 6.444 1.00 53.42 O ATOM 60 CB ILE A 6 1.424 -5.854 7.599 1.00 31.12 C ATOM 61 CG1 ILE A 6 2.269 -4.738 8.220 1.00 43.23 C ATOM 62 CG2 ILE A 6 -0.037 -5.703 8.000 1.00 70.45 C ATOM 63 CD1 ILE A 6 3.448 -4.327 7.366 1.00 5.43 C ATOM 0 H ILE A 6 3.263 -7.621 6.437 1.00 73.21 H new ATOM 0 HA ILE A 6 2.085 -7.244 9.113 1.00 1.04 H new ATOM 0 HB ILE A 6 1.494 -5.777 6.514 1.00 31.12 H new ATOM 0 HG12 ILE A 6 1.636 -3.868 8.394 1.00 43.23 H new ATOM 0 HG13 ILE A 6 2.633 -5.067 9.193 1.00 43.23 H new ATOM 0 HG21 ILE A 6 -0.400 -4.724 7.689 1.00 70.45 H new ATOM 0 HG22 ILE A 6 -0.629 -6.480 7.517 1.00 70.45 H new ATOM 0 HG23 ILE A 6 -0.129 -5.797 9.082 1.00 70.45 H new ATOM 0 HD11 ILE A 6 4.001 -3.533 7.868 1.00 5.43 H new ATOM 0 HD12 ILE A 6 4.103 -5.185 7.213 1.00 5.43 H new ATOM 0 HD13 ILE A 6 3.091 -3.967 6.401 1.00 5.43 H new ATOM 74 N THR A 7 0.358 -8.954 8.627 1.00 34.31 N ATOM 75 CA THR A 7 -0.626 -10.000 8.380 1.00 45.03 C ATOM 76 C THR A 7 -2.045 -9.443 8.430 1.00 20.01 C ATOM 77 O THR A 7 -2.357 -8.586 9.256 1.00 54.32 O ATOM 78 CB THR A 7 -0.500 -11.144 9.404 1.00 72.54 C ATOM 79 OG1 THR A 7 -0.481 -10.612 10.732 1.00 0.42 O ATOM 80 CG2 THR A 7 0.766 -11.952 9.157 1.00 0.54 C ATOM 0 H THR A 7 0.544 -8.775 9.614 1.00 34.31 H new ATOM 0 HA THR A 7 -0.427 -10.392 7.383 1.00 45.03 H new ATOM 0 HB THR A 7 -1.361 -11.802 9.290 1.00 72.54 H new ATOM 0 HG1 THR A 7 -0.402 -11.345 11.377 1.00 0.42 H new ATOM 0 HG21 THR A 7 0.835 -12.754 9.892 1.00 0.54 H new ATOM 0 HG22 THR A 7 0.735 -12.379 8.155 1.00 0.54 H new ATOM 0 HG23 THR A 7 1.636 -11.302 9.248 1.00 0.54 H new ATOM 88 N ALA A 8 -2.901 -9.938 7.541 1.00 14.33 N ATOM 89 CA ALA A 8 -4.289 -9.491 7.486 1.00 15.40 C ATOM 90 C ALA A 8 -5.209 -10.619 7.034 1.00 22.40 C ATOM 91 O ALA A 8 -4.750 -11.650 6.545 1.00 21.04 O ATOM 92 CB ALA A 8 -4.420 -8.292 6.559 1.00 62.02 C ATOM 0 H ALA A 8 -2.658 -10.648 6.850 1.00 14.33 H new ATOM 0 HA ALA A 8 -4.591 -9.192 8.490 1.00 15.40 H new ATOM 0 HB1 ALA A 8 -5.460 -7.969 6.527 1.00 62.02 H new ATOM 0 HB2 ALA A 8 -3.798 -7.477 6.928 1.00 62.02 H new ATOM 0 HB3 ALA A 8 -4.096 -8.570 5.556 1.00 62.02 H new ATOM 98 N ARG A 9 -6.512 -10.413 7.198 1.00 22.15 N ATOM 99 CA ARG A 9 -7.498 -11.414 6.808 1.00 71.24 C ATOM 100 C ARG A 9 -8.447 -10.858 5.749 1.00 12.00 C ATOM 101 O ARG A 9 -8.738 -9.662 5.729 1.00 31.12 O ATOM 102 CB ARG A 9 -8.295 -11.879 8.028 1.00 4.20 C ATOM 103 CG ARG A 9 -7.883 -13.250 8.539 1.00 33.12 C ATOM 104 CD ARG A 9 -7.517 -13.207 10.015 1.00 63.42 C ATOM 105 NE ARG A 9 -7.623 -14.522 10.642 1.00 33.15 N ATOM 106 CZ ARG A 9 -7.567 -14.716 11.955 1.00 33.24 C ATOM 107 NH1 ARG A 9 -7.407 -13.685 12.775 1.00 25.12 N ATOM 108 NH2 ARG A 9 -7.670 -15.942 12.451 1.00 70.41 N ATOM 0 H ARG A 9 -6.909 -9.563 7.598 1.00 22.15 H new ATOM 0 HA ARG A 9 -6.966 -12.266 6.384 1.00 71.24 H new ATOM 0 HB2 ARG A 9 -8.174 -11.150 8.830 1.00 4.20 H new ATOM 0 HB3 ARG A 9 -9.355 -11.899 7.773 1.00 4.20 H new ATOM 0 HG2 ARG A 9 -8.698 -13.957 8.386 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -7.033 -13.614 7.962 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -6.499 -12.833 10.126 1.00 63.42 H new ATOM 0 HD3 ARG A 9 -8.172 -12.505 10.531 1.00 63.42 H new ATOM 0 HE ARG A 9 -7.747 -15.335 10.039 1.00 33.15 H new ATOM 0 HH11 ARG A 9 -7.327 -12.741 12.398 1.00 25.12 H new ATOM 0 HH12 ARG A 9 -7.364 -13.837 13.783 1.00 25.12 H new ATOM 0 HH21 ARG A 9 -7.792 -16.737 11.824 1.00 70.41 H new ATOM 0 HH22 ARG A 9 -7.627 -16.089 13.459 1.00 70.41 H new ATOM 119 N ILE A 10 -8.923 -11.734 4.871 1.00 10.02 N ATOM 120 CA ILE A 10 -9.837 -11.331 3.810 1.00 60.41 C ATOM 121 C ILE A 10 -11.029 -10.564 4.373 1.00 35.05 C ATOM 122 O ILE A 10 -11.782 -11.082 5.197 1.00 13.31 O ATOM 123 CB ILE A 10 -10.352 -12.548 3.018 1.00 61.44 C ATOM 124 CG1 ILE A 10 -9.185 -13.296 2.375 1.00 43.31 C ATOM 125 CG2 ILE A 10 -11.353 -12.105 1.961 1.00 51.32 C ATOM 126 CD1 ILE A 10 -9.419 -14.785 2.244 1.00 61.40 C ATOM 0 H ILE A 10 -8.691 -12.727 4.873 1.00 10.02 H new ATOM 0 HA ILE A 10 -9.274 -10.682 3.139 1.00 60.41 H new ATOM 0 HB ILE A 10 -10.856 -13.226 3.707 1.00 61.44 H new ATOM 0 HG12 ILE A 10 -8.997 -12.878 1.386 1.00 43.31 H new ATOM 0 HG13 ILE A 10 -8.286 -13.129 2.968 1.00 43.31 H new ATOM 0 HG21 ILE A 10 -11.708 -12.975 1.409 1.00 51.32 H new ATOM 0 HG22 ILE A 10 -12.197 -11.612 2.443 1.00 51.32 H new ATOM 0 HG23 ILE A 10 -10.872 -11.410 1.272 1.00 51.32 H new ATOM 0 HD11 ILE A 10 -8.550 -15.250 1.780 1.00 61.40 H new ATOM 0 HD12 ILE A 10 -9.577 -15.217 3.232 1.00 61.40 H new ATOM 0 HD13 ILE A 10 -10.299 -14.962 1.626 1.00 61.40 H new ATOM 137 N GLY A 11 -11.195 -9.324 3.922 1.00 34.43 N ATOM 138 CA GLY A 11 -12.297 -8.506 4.392 1.00 73.23 C ATOM 139 C GLY A 11 -11.940 -7.706 5.630 1.00 62.41 C ATOM 140 O GLY A 11 -12.807 -7.090 6.249 1.00 71.32 O ATOM 0 H GLY A 11 -10.586 -8.872 3.240 1.00 34.43 H new ATOM 0 HA2 GLY A 11 -12.603 -7.824 3.599 1.00 73.23 H new ATOM 0 HA3 GLY A 11 -13.152 -9.145 4.611 1.00 73.23 H new ATOM 144 N GLU A 12 -10.662 -7.716 5.991 1.00 53.13 N ATOM 145 CA GLU A 12 -10.193 -6.988 7.164 1.00 61.30 C ATOM 146 C GLU A 12 -9.516 -5.682 6.759 1.00 34.22 C ATOM 147 O GLU A 12 -8.752 -5.622 5.795 1.00 3.32 O ATOM 148 CB GLU A 12 -9.223 -7.850 7.974 1.00 73.43 C ATOM 149 CG GLU A 12 -9.842 -9.133 8.500 1.00 1.13 C ATOM 150 CD GLU A 12 -11.234 -8.921 9.065 1.00 51.04 C ATOM 151 OE1 GLU A 12 -11.380 -8.094 9.988 1.00 11.32 O ATOM 152 OE2 GLU A 12 -12.177 -9.583 8.581 1.00 31.12 O ATOM 0 H GLU A 12 -9.932 -8.220 5.488 1.00 53.13 H new ATOM 0 HA GLU A 12 -11.059 -6.751 7.783 1.00 61.30 H new ATOM 0 HB2 GLU A 12 -8.365 -8.100 7.350 1.00 73.43 H new ATOM 0 HB3 GLU A 12 -8.847 -7.267 8.815 1.00 73.43 H new ATOM 0 HG2 GLU A 12 -9.889 -9.866 7.695 1.00 1.13 H new ATOM 0 HG3 GLU A 12 -9.199 -9.551 9.275 1.00 1.13 H new ATOM 157 N PRO A 13 -9.800 -4.609 7.514 1.00 43.21 N ATOM 158 CA PRO A 13 -9.230 -3.285 7.253 1.00 54.44 C ATOM 159 C PRO A 13 -7.736 -3.228 7.560 1.00 34.44 C ATOM 160 O PRO A 13 -7.265 -3.842 8.518 1.00 72.32 O ATOM 161 CB PRO A 13 -10.006 -2.371 8.202 1.00 3.02 C ATOM 162 CG PRO A 13 -10.455 -3.264 9.307 1.00 14.21 C ATOM 163 CD PRO A 13 -10.702 -4.608 8.678 1.00 44.32 C ATOM 0 HA PRO A 13 -9.316 -3.003 6.204 1.00 54.44 H new ATOM 0 HB2 PRO A 13 -9.377 -1.564 8.577 1.00 3.02 H new ATOM 0 HB3 PRO A 13 -10.854 -1.907 7.699 1.00 3.02 H new ATOM 0 HG2 PRO A 13 -9.697 -3.331 10.087 1.00 14.21 H new ATOM 0 HG3 PRO A 13 -11.361 -2.880 9.776 1.00 14.21 H new ATOM 0 HD2 PRO A 13 -10.472 -5.422 9.365 1.00 44.32 H new ATOM 0 HD3 PRO A 13 -11.744 -4.727 8.380 1.00 44.32 H new ATOM 168 N LEU A 14 -6.997 -2.484 6.743 1.00 4.32 N ATOM 169 CA LEU A 14 -5.557 -2.346 6.928 1.00 32.50 C ATOM 170 C LEU A 14 -5.088 -0.953 6.522 1.00 21.23 C ATOM 171 O LEU A 14 -5.568 -0.386 5.540 1.00 41.34 O ATOM 172 CB LEU A 14 -4.814 -3.405 6.113 1.00 62.31 C ATOM 173 CG LEU A 14 -3.384 -3.715 6.558 1.00 71.42 C ATOM 174 CD1 LEU A 14 -3.389 -4.493 7.864 1.00 33.34 C ATOM 175 CD2 LEU A 14 -2.643 -4.487 5.476 1.00 35.14 C ATOM 0 H LEU A 14 -7.371 -1.968 5.947 1.00 4.32 H new ATOM 0 HA LEU A 14 -5.336 -2.490 7.985 1.00 32.50 H new ATOM 0 HB2 LEU A 14 -5.391 -4.329 6.144 1.00 62.31 H new ATOM 0 HB3 LEU A 14 -4.787 -3.081 5.073 1.00 62.31 H new ATOM 0 HG LEU A 14 -2.863 -2.772 6.723 1.00 71.42 H new ATOM 0 HD11 LEU A 14 -2.363 -4.705 8.165 1.00 33.34 H new ATOM 0 HD12 LEU A 14 -3.880 -3.902 8.638 1.00 33.34 H new ATOM 0 HD13 LEU A 14 -3.928 -5.431 7.727 1.00 33.34 H new ATOM 0 HD21 LEU A 14 -1.627 -4.698 5.811 1.00 35.14 H new ATOM 0 HD22 LEU A 14 -3.162 -5.425 5.278 1.00 35.14 H new ATOM 0 HD23 LEU A 14 -2.608 -3.892 4.564 1.00 35.14 H new ATOM 186 N VAL A 15 -4.145 -0.406 7.282 1.00 14.21 N ATOM 187 CA VAL A 15 -3.608 0.919 7.000 1.00 73.54 C ATOM 188 C VAL A 15 -2.085 0.894 6.934 1.00 43.21 C ATOM 189 O VAL A 15 -1.430 0.217 7.729 1.00 31.14 O ATOM 190 CB VAL A 15 -4.047 1.942 8.065 1.00 73.42 C ATOM 191 CG1 VAL A 15 -3.550 3.334 7.706 1.00 74.31 C ATOM 192 CG2 VAL A 15 -5.560 1.931 8.223 1.00 53.45 C ATOM 0 H VAL A 15 -3.737 -0.861 8.099 1.00 14.21 H new ATOM 0 HA VAL A 15 -4.006 1.220 6.031 1.00 73.54 H new ATOM 0 HB VAL A 15 -3.603 1.659 9.020 1.00 73.42 H new ATOM 0 HG11 VAL A 15 -3.870 4.043 8.470 1.00 74.31 H new ATOM 0 HG12 VAL A 15 -2.461 3.328 7.649 1.00 74.31 H new ATOM 0 HG13 VAL A 15 -3.962 3.630 6.741 1.00 74.31 H new ATOM 0 HG21 VAL A 15 -5.852 2.660 8.979 1.00 53.45 H new ATOM 0 HG22 VAL A 15 -6.027 2.188 7.272 1.00 53.45 H new ATOM 0 HG23 VAL A 15 -5.886 0.938 8.531 1.00 53.45 H new ATOM 202 N LEU A 16 -1.527 1.633 5.983 1.00 50.12 N ATOM 203 CA LEU A 16 -0.078 1.695 5.812 1.00 31.13 C ATOM 204 C LEU A 16 0.392 3.140 5.675 1.00 12.11 C ATOM 205 O LEU A 16 -0.331 3.993 5.162 1.00 13.30 O ATOM 206 CB LEU A 16 0.346 0.890 4.583 1.00 1.21 C ATOM 207 CG LEU A 16 0.219 -0.629 4.700 1.00 40.21 C ATOM 208 CD1 LEU A 16 0.763 -1.308 3.452 1.00 31.22 C ATOM 209 CD2 LEU A 16 0.942 -1.133 5.940 1.00 60.50 C ATOM 0 H LEU A 16 -2.055 2.198 5.318 1.00 50.12 H new ATOM 0 HA LEU A 16 0.387 1.263 6.698 1.00 31.13 H new ATOM 0 HB2 LEU A 16 -0.251 1.220 3.733 1.00 1.21 H new ATOM 0 HB3 LEU A 16 1.384 1.131 4.356 1.00 1.21 H new ATOM 0 HG LEU A 16 -0.838 -0.878 4.794 1.00 40.21 H new ATOM 0 HD11 LEU A 16 0.664 -2.389 3.553 1.00 31.22 H new ATOM 0 HD12 LEU A 16 0.201 -0.972 2.581 1.00 31.22 H new ATOM 0 HD13 LEU A 16 1.815 -1.050 3.326 1.00 31.22 H new ATOM 0 HD21 LEU A 16 0.840 -2.216 6.006 1.00 60.50 H new ATOM 0 HD22 LEU A 16 1.998 -0.871 5.877 1.00 60.50 H new ATOM 0 HD23 LEU A 16 0.507 -0.673 6.827 1.00 60.50 H new ATOM 220 N LYS A 17 1.608 3.406 6.138 1.00 53.41 N ATOM 221 CA LYS A 17 2.179 4.745 6.065 1.00 33.50 C ATOM 222 C LYS A 17 3.362 4.781 5.102 1.00 30.34 C ATOM 223 O LYS A 17 4.032 3.771 4.887 1.00 43.11 O ATOM 224 CB LYS A 17 2.622 5.210 7.453 1.00 15.41 C ATOM 225 CG LYS A 17 3.022 6.674 7.506 1.00 55.31 C ATOM 226 CD LYS A 17 3.010 7.205 8.931 1.00 64.14 C ATOM 227 CE LYS A 17 1.603 7.562 9.380 1.00 60.14 C ATOM 228 NZ LYS A 17 1.608 8.595 10.453 1.00 43.13 N ATOM 0 H LYS A 17 2.218 2.711 6.568 1.00 53.41 H new ATOM 0 HA LYS A 17 1.409 5.421 5.692 1.00 33.50 H new ATOM 0 HB2 LYS A 17 1.811 5.038 8.160 1.00 15.41 H new ATOM 0 HB3 LYS A 17 3.464 4.600 7.779 1.00 15.41 H new ATOM 0 HG2 LYS A 17 4.018 6.796 7.080 1.00 55.31 H new ATOM 0 HG3 LYS A 17 2.339 7.261 6.892 1.00 55.31 H new ATOM 0 HD2 LYS A 17 3.429 6.456 9.603 1.00 64.14 H new ATOM 0 HD3 LYS A 17 3.649 8.086 8.998 1.00 64.14 H new ATOM 0 HE2 LYS A 17 1.031 7.927 8.527 1.00 60.14 H new ATOM 0 HE3 LYS A 17 1.099 6.666 9.741 1.00 60.14 H new ATOM 0 HZ1 LYS A 17 0.630 8.811 10.732 1.00 43.13 H new ATOM 0 HZ2 LYS A 17 2.132 8.237 11.277 1.00 43.13 H new ATOM 0 HZ3 LYS A 17 2.066 9.459 10.101 1.00 43.13 H new ATOM 238 N CYS A 18 3.616 5.952 4.527 1.00 14.34 N ATOM 239 CA CYS A 18 4.719 6.120 3.589 1.00 60.44 C ATOM 240 C CYS A 18 5.870 6.887 4.234 1.00 45.41 C ATOM 241 O CYS A 18 5.832 8.113 4.343 1.00 62.40 O ATOM 242 CB CYS A 18 4.242 6.857 2.335 1.00 51.42 C ATOM 243 SG CYS A 18 5.578 7.304 1.181 1.00 13.05 S ATOM 0 H CYS A 18 3.072 6.799 4.695 1.00 14.34 H new ATOM 0 HA CYS A 18 5.077 5.130 3.308 1.00 60.44 H new ATOM 0 HB2 CYS A 18 3.519 6.231 1.812 1.00 51.42 H new ATOM 0 HB3 CYS A 18 3.719 7.764 2.637 1.00 51.42 H new ATOM 247 N LYS A 19 6.894 6.157 4.661 1.00 53.21 N ATOM 248 CA LYS A 19 8.058 6.765 5.295 1.00 74.11 C ATOM 249 C LYS A 19 8.654 7.852 4.407 1.00 51.11 C ATOM 250 O LYS A 19 8.921 7.626 3.226 1.00 35.33 O ATOM 251 CB LYS A 19 9.115 5.701 5.596 1.00 63.03 C ATOM 252 CG LYS A 19 8.554 4.457 6.263 1.00 3.32 C ATOM 253 CD LYS A 19 7.770 4.803 7.517 1.00 11.12 C ATOM 254 CE LYS A 19 8.655 5.463 8.564 1.00 32.24 C ATOM 255 NZ LYS A 19 7.971 5.568 9.883 1.00 4.33 N ATOM 0 H LYS A 19 6.942 5.141 4.579 1.00 53.21 H new ATOM 0 HA LYS A 19 7.734 7.221 6.231 1.00 74.11 H new ATOM 0 HB2 LYS A 19 9.605 5.414 4.665 1.00 63.03 H new ATOM 0 HB3 LYS A 19 9.881 6.134 6.239 1.00 63.03 H new ATOM 0 HG2 LYS A 19 7.908 3.928 5.563 1.00 3.32 H new ATOM 0 HG3 LYS A 19 9.370 3.780 6.518 1.00 3.32 H new ATOM 0 HD2 LYS A 19 6.948 5.471 7.261 1.00 11.12 H new ATOM 0 HD3 LYS A 19 7.327 3.898 7.932 1.00 11.12 H new ATOM 0 HE2 LYS A 19 9.574 4.888 8.677 1.00 32.24 H new ATOM 0 HE3 LYS A 19 8.941 6.458 8.223 1.00 32.24 H new ATOM 0 HZ1 LYS A 19 8.607 6.023 10.569 1.00 4.33 H new ATOM 0 HZ2 LYS A 19 7.107 6.138 9.782 1.00 4.33 H new ATOM 0 HZ3 LYS A 19 7.721 4.617 10.221 1.00 4.33 H new ATOM 265 N GLY A 20 8.863 9.032 4.983 1.00 40.44 N ATOM 266 CA GLY A 20 9.428 10.136 4.228 1.00 13.34 C ATOM 267 C GLY A 20 8.560 11.377 4.278 1.00 2.13 C ATOM 268 O GLY A 20 9.066 12.492 4.402 1.00 64.43 O ATOM 0 H GLY A 20 8.651 9.243 5.958 1.00 40.44 H new ATOM 0 HA2 GLY A 20 10.417 10.372 4.621 1.00 13.34 H new ATOM 0 HA3 GLY A 20 9.562 9.831 3.190 1.00 13.34 H new ATOM 272 N ALA A 21 7.248 11.184 4.181 1.00 13.11 N ATOM 273 CA ALA A 21 6.308 12.297 4.216 1.00 41.31 C ATOM 274 C ALA A 21 5.843 12.578 5.642 1.00 72.05 C ATOM 275 O ALA A 21 5.419 11.681 6.369 1.00 5.43 O ATOM 276 CB ALA A 21 5.114 12.007 3.317 1.00 34.51 C ATOM 0 H ALA A 21 6.813 10.267 4.078 1.00 13.11 H new ATOM 0 HA ALA A 21 6.820 13.186 3.847 1.00 41.31 H new ATOM 0 HB1 ALA A 21 4.420 12.846 3.352 1.00 34.51 H new ATOM 0 HB2 ALA A 21 5.457 11.862 2.292 1.00 34.51 H new ATOM 0 HB3 ALA A 21 4.610 11.104 3.662 1.00 34.51 H new ATOM 282 N PRO A 22 5.925 13.854 6.050 1.00 3.15 N ATOM 283 CA PRO A 22 5.517 14.281 7.392 1.00 42.11 C ATOM 284 C PRO A 22 4.006 14.213 7.588 1.00 74.54 C ATOM 285 O PRO A 22 3.297 13.574 6.810 1.00 34.32 O ATOM 286 CB PRO A 22 6.000 15.732 7.463 1.00 61.33 C ATOM 287 CG PRO A 22 6.048 16.185 6.043 1.00 11.13 C ATOM 288 CD PRO A 22 6.421 14.974 5.234 1.00 30.34 C ATOM 0 HA PRO A 22 5.933 13.639 8.168 1.00 42.11 H new ATOM 0 HB2 PRO A 22 5.320 16.347 8.052 1.00 61.33 H new ATOM 0 HB3 PRO A 22 6.981 15.800 7.934 1.00 61.33 H new ATOM 0 HG2 PRO A 22 5.083 16.583 5.728 1.00 11.13 H new ATOM 0 HG3 PRO A 22 6.780 16.982 5.912 1.00 11.13 H new ATOM 0 HD2 PRO A 22 5.956 14.990 4.248 1.00 30.34 H new ATOM 0 HD3 PRO A 22 7.498 14.911 5.077 1.00 30.34 H new ATOM 293 N LYS A 23 3.519 14.874 8.632 1.00 74.14 N ATOM 294 CA LYS A 23 2.092 14.890 8.930 1.00 1.20 C ATOM 295 C LYS A 23 1.279 15.220 7.683 1.00 65.00 C ATOM 296 O LYS A 23 0.314 14.527 7.358 1.00 50.04 O ATOM 297 CB LYS A 23 1.792 15.911 10.031 1.00 51.31 C ATOM 298 CG LYS A 23 2.555 15.657 11.320 1.00 43.22 C ATOM 299 CD LYS A 23 2.260 14.275 11.880 1.00 53.12 C ATOM 300 CE LYS A 23 2.664 14.168 13.342 1.00 14.01 C ATOM 301 NZ LYS A 23 2.622 12.762 13.829 1.00 43.30 N ATOM 0 H LYS A 23 4.092 15.406 9.287 1.00 74.14 H new ATOM 0 HA LYS A 23 1.807 13.896 9.275 1.00 1.20 H new ATOM 0 HB2 LYS A 23 2.035 16.909 9.666 1.00 51.31 H new ATOM 0 HB3 LYS A 23 0.723 15.900 10.243 1.00 51.31 H new ATOM 0 HG2 LYS A 23 3.625 15.755 11.136 1.00 43.22 H new ATOM 0 HG3 LYS A 23 2.288 16.414 12.057 1.00 43.22 H new ATOM 0 HD2 LYS A 23 1.196 14.060 11.779 1.00 53.12 H new ATOM 0 HD3 LYS A 23 2.794 13.524 11.298 1.00 53.12 H new ATOM 0 HE2 LYS A 23 3.670 14.567 13.470 1.00 14.01 H new ATOM 0 HE3 LYS A 23 1.998 14.782 13.948 1.00 14.01 H new ATOM 0 HZ1 LYS A 23 2.904 12.733 14.830 1.00 43.30 H new ATOM 0 HZ2 LYS A 23 1.656 12.389 13.731 1.00 43.30 H new ATOM 0 HZ3 LYS A 23 3.276 12.180 13.268 1.00 43.30 H new ATOM 311 N LYS A 24 1.675 16.280 6.986 1.00 14.00 N ATOM 312 CA LYS A 24 0.986 16.699 5.772 1.00 31.42 C ATOM 313 C LYS A 24 1.850 16.448 4.541 1.00 45.31 C ATOM 314 O LYS A 24 3.079 16.477 4.599 1.00 51.22 O ATOM 315 CB LYS A 24 0.619 18.183 5.856 1.00 55.34 C ATOM 316 CG LYS A 24 1.701 19.042 6.487 1.00 1.21 C ATOM 317 CD LYS A 24 2.948 19.095 5.619 1.00 11.04 C ATOM 318 CE LYS A 24 3.645 20.442 5.729 1.00 32.11 C ATOM 319 NZ LYS A 24 2.834 21.537 5.128 1.00 33.14 N ATOM 0 H LYS A 24 2.471 16.865 7.242 1.00 14.00 H new ATOM 0 HA LYS A 24 0.074 16.109 5.680 1.00 31.42 H new ATOM 0 HB2 LYS A 24 0.411 18.555 4.853 1.00 55.34 H new ATOM 0 HB3 LYS A 24 -0.300 18.289 6.432 1.00 55.34 H new ATOM 0 HG2 LYS A 24 1.321 20.052 6.642 1.00 1.21 H new ATOM 0 HG3 LYS A 24 1.957 18.644 7.469 1.00 1.21 H new ATOM 0 HD2 LYS A 24 3.635 18.303 5.918 1.00 11.04 H new ATOM 0 HD3 LYS A 24 2.678 18.907 4.580 1.00 11.04 H new ATOM 0 HE2 LYS A 24 3.838 20.667 6.778 1.00 32.11 H new ATOM 0 HE3 LYS A 24 4.613 20.392 5.231 1.00 32.11 H new ATOM 0 HZ1 LYS A 24 3.460 22.320 4.851 1.00 33.14 H new ATOM 0 HZ2 LYS A 24 2.335 21.179 4.289 1.00 33.14 H new ATOM 0 HZ3 LYS A 24 2.141 21.878 5.824 1.00 33.14 H new ATOM 366 N ARG A 28 4.896 16.388 -4.469 1.00 52.04 N ATOM 367 CA ARG A 28 4.289 15.257 -5.160 1.00 32.32 C ATOM 368 C ARG A 28 5.001 13.956 -4.801 1.00 61.23 C ATOM 369 O ARG A 28 6.220 13.928 -4.634 1.00 72.13 O ATOM 370 CB ARG A 28 4.330 15.474 -6.674 1.00 15.31 C ATOM 371 CG ARG A 28 3.102 16.184 -7.221 1.00 14.51 C ATOM 372 CD ARG A 28 3.101 17.658 -6.851 1.00 73.23 C ATOM 373 NE ARG A 28 2.573 17.886 -5.509 1.00 73.54 N ATOM 374 CZ ARG A 28 2.665 19.047 -4.870 1.00 63.12 C ATOM 375 NH1 ARG A 28 3.262 20.081 -5.449 1.00 42.04 N ATOM 376 NH2 ARG A 28 2.160 19.176 -3.651 1.00 63.40 N ATOM 0 HA ARG A 28 3.250 15.183 -4.840 1.00 32.32 H new ATOM 0 HB2 ARG A 28 5.217 16.055 -6.925 1.00 15.31 H new ATOM 0 HB3 ARG A 28 4.431 14.508 -7.168 1.00 15.31 H new ATOM 0 HG2 ARG A 28 3.073 16.080 -8.306 1.00 14.51 H new ATOM 0 HG3 ARG A 28 2.202 15.709 -6.831 1.00 14.51 H new ATOM 0 HD2 ARG A 28 4.117 18.047 -6.911 1.00 73.23 H new ATOM 0 HD3 ARG A 28 2.504 18.213 -7.574 1.00 73.23 H new ATOM 0 HE ARG A 28 2.108 17.111 -5.036 1.00 73.54 H new ATOM 0 HH11 ARG A 28 3.652 19.985 -6.387 1.00 42.04 H new ATOM 0 HH12 ARG A 28 3.331 20.971 -4.956 1.00 42.04 H new ATOM 0 HH21 ARG A 28 1.700 18.383 -3.203 1.00 63.40 H new ATOM 0 HH22 ARG A 28 2.231 20.068 -3.161 1.00 63.40 H new ATOM 387 N LEU A 29 4.231 12.880 -4.685 1.00 24.02 N ATOM 388 CA LEU A 29 4.787 11.575 -4.345 1.00 60.03 C ATOM 389 C LEU A 29 4.180 10.480 -5.220 1.00 33.13 C ATOM 390 O LEU A 29 3.028 10.577 -5.641 1.00 33.43 O ATOM 391 CB LEU A 29 4.539 11.260 -2.870 1.00 13.41 C ATOM 392 CG LEU A 29 3.147 11.602 -2.335 1.00 40.30 C ATOM 393 CD1 LEU A 29 2.109 10.646 -2.900 1.00 40.23 C ATOM 394 CD2 LEU A 29 3.138 11.565 -0.814 1.00 24.44 C ATOM 0 H LEU A 29 3.220 12.885 -4.821 1.00 24.02 H new ATOM 0 HA LEU A 29 5.861 11.607 -4.527 1.00 60.03 H new ATOM 0 HB2 LEU A 29 4.716 10.196 -2.712 1.00 13.41 H new ATOM 0 HB3 LEU A 29 5.277 11.798 -2.275 1.00 13.41 H new ATOM 0 HG LEU A 29 2.892 12.612 -2.656 1.00 40.30 H new ATOM 0 HD11 LEU A 29 1.125 10.904 -2.509 1.00 40.23 H new ATOM 0 HD12 LEU A 29 2.098 10.722 -3.987 1.00 40.23 H new ATOM 0 HD13 LEU A 29 2.358 9.625 -2.610 1.00 40.23 H new ATOM 0 HD21 LEU A 29 2.140 11.811 -0.450 1.00 24.44 H new ATOM 0 HD22 LEU A 29 3.413 10.567 -0.473 1.00 24.44 H new ATOM 0 HD23 LEU A 29 3.854 12.291 -0.428 1.00 24.44 H new ATOM 405 N GLU A 30 4.963 9.439 -5.484 1.00 51.31 N ATOM 406 CA GLU A 30 4.501 8.326 -6.306 1.00 71.24 C ATOM 407 C GLU A 30 4.570 7.014 -5.532 1.00 51.12 C ATOM 408 O GLU A 30 5.612 6.658 -4.982 1.00 33.31 O ATOM 409 CB GLU A 30 5.340 8.224 -7.582 1.00 14.32 C ATOM 410 CG GLU A 30 4.738 7.308 -8.634 1.00 13.10 C ATOM 411 CD GLU A 30 3.738 8.022 -9.523 1.00 43.45 C ATOM 412 OE1 GLU A 30 3.393 9.181 -9.217 1.00 75.43 O ATOM 413 OE2 GLU A 30 3.300 7.419 -10.526 1.00 55.20 O ATOM 0 H GLU A 30 5.919 9.343 -5.141 1.00 51.31 H new ATOM 0 HA GLU A 30 3.462 8.513 -6.577 1.00 71.24 H new ATOM 0 HB2 GLU A 30 5.463 9.220 -8.007 1.00 14.32 H new ATOM 0 HB3 GLU A 30 6.336 7.863 -7.324 1.00 14.32 H new ATOM 0 HG2 GLU A 30 5.536 6.894 -9.250 1.00 13.10 H new ATOM 0 HG3 GLU A 30 4.247 6.468 -8.142 1.00 13.10 H new ATOM 418 N TRP A 31 3.452 6.297 -5.494 1.00 54.02 N ATOM 419 CA TRP A 31 3.384 5.024 -4.787 1.00 54.35 C ATOM 420 C TRP A 31 3.065 3.884 -5.747 1.00 61.05 C ATOM 421 O TRP A 31 2.312 4.058 -6.705 1.00 30.21 O ATOM 422 CB TRP A 31 2.329 5.085 -3.682 1.00 34.23 C ATOM 423 CG TRP A 31 2.520 6.238 -2.741 1.00 14.42 C ATOM 424 CD1 TRP A 31 3.688 6.899 -2.483 1.00 0.43 C ATOM 425 CD2 TRP A 31 1.516 6.860 -1.934 1.00 52.32 C ATOM 426 NE1 TRP A 31 3.469 7.895 -1.563 1.00 14.33 N ATOM 427 CE2 TRP A 31 2.145 7.894 -1.211 1.00 23.41 C ATOM 428 CE3 TRP A 31 0.147 6.649 -1.753 1.00 14.12 C ATOM 429 CZ2 TRP A 31 1.450 8.708 -0.322 1.00 62.31 C ATOM 430 CZ3 TRP A 31 -0.542 7.458 -0.870 1.00 52.20 C ATOM 431 CH2 TRP A 31 0.111 8.479 -0.164 1.00 5.11 C ATOM 0 H TRP A 31 2.581 6.576 -5.945 1.00 54.02 H new ATOM 0 HA TRP A 31 4.359 4.835 -4.338 1.00 54.35 H new ATOM 0 HB2 TRP A 31 1.341 5.156 -4.136 1.00 34.23 H new ATOM 0 HB3 TRP A 31 2.353 4.154 -3.115 1.00 34.23 H new ATOM 0 HD1 TRP A 31 4.642 6.672 -2.936 1.00 0.43 H new ATOM 0 HE1 TRP A 31 4.178 8.533 -1.200 1.00 14.33 H new ATOM 0 HE3 TRP A 31 -0.364 5.867 -2.294 1.00 14.12 H new ATOM 0 HZ2 TRP A 31 1.951 9.494 0.224 1.00 62.31 H new ATOM 0 HZ3 TRP A 31 -1.600 7.302 -0.721 1.00 52.20 H new ATOM 0 HH2 TRP A 31 -0.455 9.097 0.518 1.00 5.11 H new ATOM 441 N LYS A 32 3.644 2.716 -5.487 1.00 63.52 N ATOM 442 CA LYS A 32 3.420 1.546 -6.328 1.00 53.14 C ATOM 443 C LYS A 32 3.205 0.298 -5.478 1.00 11.21 C ATOM 444 O LYS A 32 3.885 0.096 -4.470 1.00 24.03 O ATOM 445 CB LYS A 32 4.606 1.336 -7.271 1.00 70.32 C ATOM 446 CG LYS A 32 4.293 0.431 -8.450 1.00 61.44 C ATOM 447 CD LYS A 32 5.047 0.860 -9.698 1.00 60.43 C ATOM 448 CE LYS A 32 4.556 2.206 -10.211 1.00 41.45 C ATOM 449 NZ LYS A 32 4.540 2.259 -11.699 1.00 73.53 N ATOM 0 H LYS A 32 4.272 2.555 -4.700 1.00 63.52 H new ATOM 0 HA LYS A 32 2.521 1.721 -6.919 1.00 53.14 H new ATOM 0 HB2 LYS A 32 4.938 2.305 -7.645 1.00 70.32 H new ATOM 0 HB3 LYS A 32 5.436 0.911 -6.708 1.00 70.32 H new ATOM 0 HG2 LYS A 32 4.556 -0.597 -8.200 1.00 61.44 H new ATOM 0 HG3 LYS A 32 3.221 0.447 -8.648 1.00 61.44 H new ATOM 0 HD2 LYS A 32 6.113 0.920 -9.478 1.00 60.43 H new ATOM 0 HD3 LYS A 32 4.924 0.106 -10.476 1.00 60.43 H new ATOM 0 HE2 LYS A 32 3.553 2.396 -9.830 1.00 41.45 H new ATOM 0 HE3 LYS A 32 5.199 2.998 -9.826 1.00 41.45 H new ATOM 0 HZ1 LYS A 32 4.200 3.191 -12.010 1.00 73.53 H new ATOM 0 HZ2 LYS A 32 5.502 2.103 -12.062 1.00 73.53 H new ATOM 0 HZ3 LYS A 32 3.907 1.520 -12.066 1.00 73.53 H new ATOM 459 N LEU A 33 2.258 -0.537 -5.889 1.00 61.45 N ATOM 460 CA LEU A 33 1.954 -1.767 -5.166 1.00 41.43 C ATOM 461 C LEU A 33 1.745 -2.929 -6.132 1.00 2.43 C ATOM 462 O LEU A 33 1.114 -2.775 -7.177 1.00 14.41 O ATOM 463 CB LEU A 33 0.709 -1.579 -4.299 1.00 33.34 C ATOM 464 CG LEU A 33 -0.033 -2.856 -3.903 1.00 42.11 C ATOM 465 CD1 LEU A 33 -0.741 -2.670 -2.570 1.00 13.41 C ATOM 466 CD2 LEU A 33 -1.026 -3.253 -4.986 1.00 75.00 C ATOM 0 H LEU A 33 1.687 -0.385 -6.720 1.00 61.45 H new ATOM 0 HA LEU A 33 2.803 -2.001 -4.524 1.00 41.43 H new ATOM 0 HB2 LEU A 33 1.001 -1.055 -3.389 1.00 33.34 H new ATOM 0 HB3 LEU A 33 0.014 -0.930 -4.832 1.00 33.34 H new ATOM 0 HG LEU A 33 0.696 -3.659 -3.795 1.00 42.11 H new ATOM 0 HD11 LEU A 33 -1.264 -3.589 -2.304 1.00 13.41 H new ATOM 0 HD12 LEU A 33 -0.008 -2.433 -1.799 1.00 13.41 H new ATOM 0 HD13 LEU A 33 -1.459 -1.854 -2.650 1.00 13.41 H new ATOM 0 HD21 LEU A 33 -1.545 -4.164 -4.688 1.00 75.00 H new ATOM 0 HD22 LEU A 33 -1.751 -2.451 -5.126 1.00 75.00 H new ATOM 0 HD23 LEU A 33 -0.494 -3.428 -5.921 1.00 75.00 H new ATOM 477 N ASN A 34 2.277 -4.094 -5.772 1.00 72.44 N ATOM 478 CA ASN A 34 2.148 -5.282 -6.607 1.00 24.53 C ATOM 479 C ASN A 34 1.325 -6.355 -5.901 1.00 43.20 C ATOM 480 O ASN A 34 1.695 -6.832 -4.827 1.00 53.43 O ATOM 481 CB ASN A 34 3.529 -5.836 -6.963 1.00 72.21 C ATOM 482 CG ASN A 34 4.085 -5.226 -8.236 1.00 10.41 C ATOM 483 OD1 ASN A 34 4.555 -5.938 -9.123 1.00 71.33 O ATOM 484 ND2 ASN A 34 4.033 -3.902 -8.329 1.00 41.23 N ATOM 0 H ASN A 34 2.801 -4.239 -4.909 1.00 72.44 H new ATOM 0 HA ASN A 34 1.632 -4.996 -7.524 1.00 24.53 H new ATOM 0 HB2 ASN A 34 4.218 -5.644 -6.140 1.00 72.21 H new ATOM 0 HB3 ASN A 34 3.465 -6.918 -7.079 1.00 72.21 H new ATOM 0 HD21 ASN A 34 4.392 -3.435 -9.162 1.00 41.23 H new ATOM 0 HD22 ASN A 34 3.634 -3.353 -7.568 1.00 41.23 H new ATOM 490 N THR A 35 0.205 -6.732 -6.509 1.00 63.22 N ATOM 491 CA THR A 35 -0.671 -7.748 -5.939 1.00 12.31 C ATOM 492 C THR A 35 -1.142 -8.730 -7.005 1.00 72.23 C ATOM 493 O THR A 35 -0.791 -8.603 -8.179 1.00 12.23 O ATOM 494 CB THR A 35 -1.901 -7.114 -5.263 1.00 73.54 C ATOM 495 OG1 THR A 35 -2.581 -6.257 -6.188 1.00 3.31 O ATOM 496 CG2 THR A 35 -1.492 -6.318 -4.033 1.00 33.23 C ATOM 0 H THR A 35 -0.117 -6.348 -7.397 1.00 63.22 H new ATOM 0 HA THR A 35 -0.088 -8.282 -5.189 1.00 12.31 H new ATOM 0 HB THR A 35 -2.571 -7.916 -4.951 1.00 73.54 H new ATOM 0 HG1 THR A 35 -3.363 -5.859 -5.751 1.00 3.31 H new ATOM 0 HG21 THR A 35 -2.377 -5.880 -3.572 1.00 33.23 H new ATOM 0 HG22 THR A 35 -1.001 -6.979 -3.319 1.00 33.23 H new ATOM 0 HG23 THR A 35 -0.804 -5.524 -4.325 1.00 33.23 H new ATOM 504 N GLY A 36 -1.941 -9.709 -6.592 1.00 72.13 N ATOM 505 CA GLY A 36 -2.447 -10.697 -7.524 1.00 64.03 C ATOM 506 C GLY A 36 -1.388 -11.700 -7.938 1.00 65.24 C ATOM 507 O GLY A 36 -0.680 -12.250 -7.095 1.00 32.42 O ATOM 0 H GLY A 36 -2.247 -9.835 -5.627 1.00 72.13 H new ATOM 0 HA2 GLY A 36 -3.285 -11.225 -7.069 1.00 64.03 H new ATOM 0 HA3 GLY A 36 -2.831 -10.192 -8.410 1.00 64.03 H new ATOM 511 N ARG A 37 -1.280 -11.940 -9.242 1.00 32.12 N ATOM 512 CA ARG A 37 -0.301 -12.886 -9.765 1.00 60.32 C ATOM 513 C ARG A 37 0.770 -12.165 -10.576 1.00 51.24 C ATOM 514 O ARG A 37 1.948 -12.524 -10.529 1.00 24.31 O ATOM 515 CB ARG A 37 -0.993 -13.939 -10.636 1.00 34.32 C ATOM 516 CG ARG A 37 -1.459 -15.160 -9.859 1.00 33.51 C ATOM 517 CD ARG A 37 -2.623 -14.823 -8.940 1.00 12.33 C ATOM 518 NE ARG A 37 -3.055 -15.979 -8.159 1.00 12.13 N ATOM 519 CZ ARG A 37 -4.200 -16.026 -7.487 1.00 55.42 C ATOM 520 NH1 ARG A 37 -5.024 -14.988 -7.501 1.00 73.20 N ATOM 521 NH2 ARG A 37 -4.522 -17.113 -6.798 1.00 23.21 N ATOM 0 H ARG A 37 -1.858 -11.493 -9.954 1.00 32.12 H new ATOM 0 HA ARG A 37 0.178 -13.380 -8.920 1.00 60.32 H new ATOM 0 HB2 ARG A 37 -1.851 -13.483 -11.130 1.00 34.32 H new ATOM 0 HB3 ARG A 37 -0.307 -14.258 -11.420 1.00 34.32 H new ATOM 0 HG2 ARG A 37 -1.758 -15.943 -10.555 1.00 33.51 H new ATOM 0 HG3 ARG A 37 -0.632 -15.556 -9.270 1.00 33.51 H new ATOM 0 HD2 ARG A 37 -2.331 -14.018 -8.265 1.00 12.33 H new ATOM 0 HD3 ARG A 37 -3.459 -14.454 -9.534 1.00 12.33 H new ATOM 0 HE ARG A 37 -2.444 -16.795 -8.128 1.00 12.13 H new ATOM 0 HH11 ARG A 37 -4.780 -14.150 -8.029 1.00 73.20 H new ATOM 0 HH12 ARG A 37 -5.902 -15.027 -6.984 1.00 73.20 H new ATOM 0 HH21 ARG A 37 -3.890 -17.914 -6.784 1.00 23.21 H new ATOM 0 HH22 ARG A 37 -5.401 -17.148 -6.282 1.00 23.21 H new ATOM 532 N THR A 38 0.356 -11.145 -11.322 1.00 63.42 N ATOM 533 CA THR A 38 1.280 -10.374 -12.145 1.00 52.40 C ATOM 534 C THR A 38 0.555 -9.258 -12.887 1.00 74.21 C ATOM 535 O THR A 38 1.137 -8.212 -13.175 1.00 20.21 O ATOM 536 CB THR A 38 2.003 -11.270 -13.169 1.00 4.44 C ATOM 537 OG1 THR A 38 3.161 -10.599 -13.676 1.00 2.02 O ATOM 538 CG2 THR A 38 1.077 -11.634 -14.319 1.00 24.25 C ATOM 0 H THR A 38 -0.614 -10.834 -11.373 1.00 63.42 H new ATOM 0 HA THR A 38 2.017 -9.939 -11.470 1.00 52.40 H new ATOM 0 HB THR A 38 2.307 -12.187 -12.665 1.00 4.44 H new ATOM 0 HG1 THR A 38 3.328 -9.791 -13.148 1.00 2.02 H new ATOM 0 HG21 THR A 38 1.610 -12.267 -15.029 1.00 24.25 H new ATOM 0 HG22 THR A 38 0.211 -12.171 -13.933 1.00 24.25 H new ATOM 0 HG23 THR A 38 0.746 -10.725 -14.821 1.00 24.25 H new ATOM 546 N GLU A 39 -0.718 -9.487 -13.194 1.00 41.24 N ATOM 547 CA GLU A 39 -1.521 -8.499 -13.905 1.00 21.32 C ATOM 548 C GLU A 39 -2.449 -7.760 -12.944 1.00 51.04 C ATOM 549 O GLU A 39 -3.567 -7.391 -13.303 1.00 52.24 O ATOM 550 CB GLU A 39 -2.344 -9.174 -15.005 1.00 72.53 C ATOM 551 CG GLU A 39 -1.499 -9.738 -16.137 1.00 33.35 C ATOM 552 CD GLU A 39 -2.190 -10.870 -16.870 1.00 64.44 C ATOM 553 OE1 GLU A 39 -2.418 -11.928 -16.250 1.00 50.00 O ATOM 554 OE2 GLU A 39 -2.502 -10.696 -18.068 1.00 11.13 O ATOM 0 H GLU A 39 -1.215 -10.347 -12.962 1.00 41.24 H new ATOM 0 HA GLU A 39 -0.843 -7.776 -14.359 1.00 21.32 H new ATOM 0 HB2 GLU A 39 -2.932 -9.980 -14.565 1.00 72.53 H new ATOM 0 HB3 GLU A 39 -3.050 -8.451 -15.415 1.00 72.53 H new ATOM 0 HG2 GLU A 39 -1.266 -8.941 -16.843 1.00 33.35 H new ATOM 0 HG3 GLU A 39 -0.551 -10.095 -15.735 1.00 33.35 H new ATOM 559 N ALA A 40 -1.975 -7.548 -11.720 1.00 73.41 N ATOM 560 CA ALA A 40 -2.759 -6.852 -10.708 1.00 34.32 C ATOM 561 C ALA A 40 -2.008 -5.639 -10.169 1.00 12.52 C ATOM 562 O ALA A 40 -2.551 -4.857 -9.387 1.00 40.30 O ATOM 563 CB ALA A 40 -3.118 -7.800 -9.573 1.00 42.41 C ATOM 0 H ALA A 40 -1.052 -7.848 -11.406 1.00 73.41 H new ATOM 0 HA ALA A 40 -3.678 -6.499 -11.176 1.00 34.32 H new ATOM 0 HB1 ALA A 40 -3.704 -7.266 -8.825 1.00 42.41 H new ATOM 0 HB2 ALA A 40 -3.703 -8.632 -9.965 1.00 42.41 H new ATOM 0 HB3 ALA A 40 -2.205 -8.182 -9.115 1.00 42.41 H new ATOM 569 N TRP A 41 -0.757 -5.489 -10.590 1.00 13.20 N ATOM 570 CA TRP A 41 0.070 -4.372 -10.147 1.00 13.12 C ATOM 571 C TRP A 41 -0.571 -3.040 -10.521 1.00 62.20 C ATOM 572 O TRP A 41 -0.947 -2.823 -11.673 1.00 75.50 O ATOM 573 CB TRP A 41 1.467 -4.471 -10.761 1.00 73.32 C ATOM 574 CG TRP A 41 2.072 -5.836 -10.647 1.00 45.33 C ATOM 575 CD1 TRP A 41 1.821 -6.765 -9.678 1.00 52.32 C ATOM 576 CD2 TRP A 41 3.027 -6.428 -11.536 1.00 33.34 C ATOM 577 NE1 TRP A 41 2.564 -7.898 -9.909 1.00 10.31 N ATOM 578 CE2 TRP A 41 3.311 -7.717 -11.042 1.00 31.51 C ATOM 579 CE3 TRP A 41 3.669 -5.995 -12.699 1.00 24.33 C ATOM 580 CZ2 TRP A 41 4.210 -8.573 -11.674 1.00 72.51 C ATOM 581 CZ3 TRP A 41 4.560 -6.846 -13.324 1.00 21.01 C ATOM 582 CH2 TRP A 41 4.823 -8.123 -12.811 1.00 11.30 C ATOM 0 H TRP A 41 -0.293 -6.126 -11.237 1.00 13.20 H new ATOM 0 HA TRP A 41 0.154 -4.421 -9.061 1.00 13.12 H new ATOM 0 HB2 TRP A 41 1.414 -4.192 -11.813 1.00 73.32 H new ATOM 0 HB3 TRP A 41 2.122 -3.749 -10.273 1.00 73.32 H new ATOM 0 HD1 TRP A 41 1.139 -6.629 -8.852 1.00 52.32 H new ATOM 0 HE1 TRP A 41 2.560 -8.738 -9.330 1.00 10.31 H new ATOM 0 HE3 TRP A 41 3.472 -5.013 -13.102 1.00 24.33 H new ATOM 0 HZ2 TRP A 41 4.416 -9.557 -11.280 1.00 72.51 H new ATOM 0 HZ3 TRP A 41 5.062 -6.521 -14.223 1.00 21.01 H new ATOM 0 HH2 TRP A 41 5.524 -8.765 -13.324 1.00 11.30 H new ATOM 592 N LYS A 42 -0.692 -2.151 -9.541 1.00 13.43 N ATOM 593 CA LYS A 42 -1.286 -0.838 -9.767 1.00 1.34 C ATOM 594 C LYS A 42 -0.471 0.253 -9.082 1.00 61.03 C ATOM 595 O LYS A 42 0.289 -0.017 -8.153 1.00 33.13 O ATOM 596 CB LYS A 42 -2.727 -0.812 -9.251 1.00 5.44 C ATOM 597 CG LYS A 42 -2.844 -1.087 -7.762 1.00 25.15 C ATOM 598 CD LYS A 42 -3.410 -2.471 -7.493 1.00 31.41 C ATOM 599 CE LYS A 42 -3.918 -2.598 -6.064 1.00 21.41 C ATOM 600 NZ LYS A 42 -5.313 -2.095 -5.926 1.00 34.32 N ATOM 0 H LYS A 42 -0.386 -2.316 -8.582 1.00 13.43 H new ATOM 0 HA LYS A 42 -1.287 -0.647 -10.840 1.00 1.34 H new ATOM 0 HB2 LYS A 42 -3.164 0.163 -9.468 1.00 5.44 H new ATOM 0 HB3 LYS A 42 -3.313 -1.552 -9.796 1.00 5.44 H new ATOM 0 HG2 LYS A 42 -1.862 -0.998 -7.296 1.00 25.15 H new ATOM 0 HG3 LYS A 42 -3.485 -0.335 -7.302 1.00 25.15 H new ATOM 0 HD2 LYS A 42 -4.224 -2.674 -8.189 1.00 31.41 H new ATOM 0 HD3 LYS A 42 -2.641 -3.221 -7.675 1.00 31.41 H new ATOM 0 HE2 LYS A 42 -3.876 -3.642 -5.755 1.00 21.41 H new ATOM 0 HE3 LYS A 42 -3.263 -2.041 -5.394 1.00 21.41 H new ATOM 0 HZ1 LYS A 42 -5.623 -2.198 -4.939 1.00 34.32 H new ATOM 0 HZ2 LYS A 42 -5.349 -1.092 -6.197 1.00 34.32 H new ATOM 0 HZ3 LYS A 42 -5.943 -2.643 -6.546 1.00 34.32 H new ATOM 610 N VAL A 43 -0.632 1.488 -9.549 1.00 64.30 N ATOM 611 CA VAL A 43 0.088 2.621 -8.980 1.00 5.11 C ATOM 612 C VAL A 43 -0.808 3.430 -8.049 1.00 24.51 C ATOM 613 O VAL A 43 -1.876 3.897 -8.449 1.00 43.22 O ATOM 614 CB VAL A 43 0.637 3.547 -10.081 1.00 44.42 C ATOM 615 CG1 VAL A 43 1.568 4.591 -9.486 1.00 13.44 C ATOM 616 CG2 VAL A 43 1.348 2.735 -11.154 1.00 75.43 C ATOM 0 H VAL A 43 -1.255 1.729 -10.320 1.00 64.30 H new ATOM 0 HA VAL A 43 0.923 2.212 -8.411 1.00 5.11 H new ATOM 0 HB VAL A 43 -0.201 4.066 -10.546 1.00 44.42 H new ATOM 0 HG11 VAL A 43 1.946 5.236 -10.279 1.00 13.44 H new ATOM 0 HG12 VAL A 43 1.023 5.192 -8.758 1.00 13.44 H new ATOM 0 HG13 VAL A 43 2.404 4.094 -8.993 1.00 13.44 H new ATOM 0 HG21 VAL A 43 1.730 3.405 -11.924 1.00 75.43 H new ATOM 0 HG22 VAL A 43 2.177 2.187 -10.706 1.00 75.43 H new ATOM 0 HG23 VAL A 43 0.647 2.030 -11.601 1.00 75.43 H new ATOM 626 N LEU A 44 -0.368 3.593 -6.808 1.00 34.43 N ATOM 627 CA LEU A 44 -1.130 4.349 -5.818 1.00 25.40 C ATOM 628 C LEU A 44 -0.793 5.834 -5.889 1.00 34.00 C ATOM 629 O LEU A 44 0.353 6.210 -6.137 1.00 51.01 O ATOM 630 CB LEU A 44 -0.848 3.816 -4.413 1.00 72.03 C ATOM 631 CG LEU A 44 -1.638 2.575 -3.994 1.00 72.20 C ATOM 632 CD1 LEU A 44 -1.082 2.000 -2.701 1.00 31.12 C ATOM 633 CD2 LEU A 44 -3.114 2.911 -3.839 1.00 30.20 C ATOM 0 H LEU A 44 0.513 3.212 -6.461 1.00 34.43 H new ATOM 0 HA LEU A 44 -2.190 4.226 -6.040 1.00 25.40 H new ATOM 0 HB2 LEU A 44 0.215 3.587 -4.340 1.00 72.03 H new ATOM 0 HB3 LEU A 44 -1.053 4.611 -3.697 1.00 72.03 H new ATOM 0 HG LEU A 44 -1.537 1.822 -4.775 1.00 72.20 H new ATOM 0 HD11 LEU A 44 -1.656 1.118 -2.418 1.00 31.12 H new ATOM 0 HD12 LEU A 44 -0.038 1.722 -2.846 1.00 31.12 H new ATOM 0 HD13 LEU A 44 -1.152 2.747 -1.911 1.00 31.12 H new ATOM 0 HD21 LEU A 44 -3.661 2.017 -3.541 1.00 30.20 H new ATOM 0 HD22 LEU A 44 -3.234 3.681 -3.077 1.00 30.20 H new ATOM 0 HD23 LEU A 44 -3.506 3.276 -4.788 1.00 30.20 H new ATOM 644 N SER A 45 -1.797 6.676 -5.666 1.00 43.33 N ATOM 645 CA SER A 45 -1.607 8.121 -5.706 1.00 3.11 C ATOM 646 C SER A 45 -2.130 8.773 -4.430 1.00 13.01 C ATOM 647 O SER A 45 -2.892 8.178 -3.666 1.00 75.52 O ATOM 648 CB SER A 45 -2.316 8.717 -6.924 1.00 4.14 C ATOM 649 OG SER A 45 -3.329 7.847 -7.400 1.00 44.14 O ATOM 0 H SER A 45 -2.751 6.382 -5.456 1.00 43.33 H new ATOM 0 HA SER A 45 -0.538 8.320 -5.784 1.00 3.11 H new ATOM 0 HB2 SER A 45 -2.754 9.680 -6.659 1.00 4.14 H new ATOM 0 HB3 SER A 45 -1.591 8.904 -7.716 1.00 4.14 H new ATOM 0 HG SER A 45 -3.768 8.251 -8.177 1.00 44.14 H new ATOM 772 N ALA A 56 -9.297 0.681 -2.201 1.00 74.32 N ATOM 773 CA ALA A 56 -9.008 1.419 -0.978 1.00 10.44 C ATOM 774 C ALA A 56 -8.896 2.915 -1.250 1.00 75.22 C ATOM 775 O ALA A 56 -8.932 3.350 -2.402 1.00 52.54 O ATOM 776 CB ALA A 56 -7.729 0.900 -0.338 1.00 51.03 C ATOM 0 HA ALA A 56 -9.837 1.264 -0.287 1.00 10.44 H new ATOM 0 HB1 ALA A 56 -7.525 1.460 0.575 1.00 51.03 H new ATOM 0 HB2 ALA A 56 -7.846 -0.157 -0.097 1.00 51.03 H new ATOM 0 HB3 ALA A 56 -6.898 1.024 -1.033 1.00 51.03 H new ATOM 782 N ARG A 57 -8.762 3.698 -0.184 1.00 70.25 N ATOM 783 CA ARG A 57 -8.647 5.147 -0.311 1.00 44.41 C ATOM 784 C ARG A 57 -7.317 5.637 0.253 1.00 74.04 C ATOM 785 O ARG A 57 -6.668 4.943 1.037 1.00 64.31 O ATOM 786 CB ARG A 57 -9.804 5.837 0.413 1.00 4.43 C ATOM 787 CG ARG A 57 -11.174 5.311 0.011 1.00 63.25 C ATOM 788 CD ARG A 57 -11.415 5.469 -1.483 1.00 32.12 C ATOM 789 NE ARG A 57 -11.260 6.855 -1.917 1.00 23.43 N ATOM 790 CZ ARG A 57 -12.128 7.817 -1.626 1.00 72.52 C ATOM 791 NH1 ARG A 57 -13.207 7.547 -0.904 1.00 70.34 N ATOM 792 NH2 ARG A 57 -11.919 9.055 -2.059 1.00 11.14 N ATOM 0 H ARG A 57 -8.730 3.354 0.776 1.00 70.25 H new ATOM 0 HA ARG A 57 -8.689 5.398 -1.371 1.00 44.41 H new ATOM 0 HB2 ARG A 57 -9.676 5.710 1.488 1.00 4.43 H new ATOM 0 HB3 ARG A 57 -9.761 6.907 0.211 1.00 4.43 H new ATOM 0 HG2 ARG A 57 -11.256 4.259 0.285 1.00 63.25 H new ATOM 0 HG3 ARG A 57 -11.947 5.845 0.564 1.00 63.25 H new ATOM 0 HD2 ARG A 57 -10.717 4.837 -2.032 1.00 32.12 H new ATOM 0 HD3 ARG A 57 -12.419 5.122 -1.727 1.00 32.12 H new ATOM 0 HE ARG A 57 -10.440 7.097 -2.474 1.00 23.43 H new ATOM 0 HH11 ARG A 57 -13.373 6.598 -0.570 1.00 70.34 H new ATOM 0 HH12 ARG A 57 -13.871 8.289 -0.683 1.00 70.34 H new ATOM 0 HH21 ARG A 57 -11.091 9.268 -2.616 1.00 11.14 H new ATOM 0 HH22 ARG A 57 -12.586 9.793 -1.835 1.00 11.14 H new ATOM 803 N VAL A 58 -6.915 6.837 -0.152 1.00 73.25 N ATOM 804 CA VAL A 58 -5.662 7.422 0.312 1.00 4.32 C ATOM 805 C VAL A 58 -5.918 8.569 1.283 1.00 62.14 C ATOM 806 O VAL A 58 -6.688 9.484 0.991 1.00 4.14 O ATOM 807 CB VAL A 58 -4.814 7.938 -0.865 1.00 73.34 C ATOM 808 CG1 VAL A 58 -3.674 8.810 -0.360 1.00 40.12 C ATOM 809 CG2 VAL A 58 -4.281 6.775 -1.688 1.00 24.11 C ATOM 0 H VAL A 58 -7.439 7.424 -0.801 1.00 73.25 H new ATOM 0 HA VAL A 58 -5.114 6.632 0.825 1.00 4.32 H new ATOM 0 HB VAL A 58 -5.449 8.547 -1.508 1.00 73.34 H new ATOM 0 HG11 VAL A 58 -3.086 9.166 -1.206 1.00 40.12 H new ATOM 0 HG12 VAL A 58 -4.081 9.663 0.183 1.00 40.12 H new ATOM 0 HG13 VAL A 58 -3.037 8.227 0.305 1.00 40.12 H new ATOM 0 HG21 VAL A 58 -3.684 7.158 -2.516 1.00 24.11 H new ATOM 0 HG22 VAL A 58 -3.661 6.137 -1.058 1.00 24.11 H new ATOM 0 HG23 VAL A 58 -5.116 6.195 -2.081 1.00 24.11 H new ATOM 819 N LEU A 59 -5.266 8.516 2.438 1.00 52.32 N ATOM 820 CA LEU A 59 -5.421 9.552 3.454 1.00 2.42 C ATOM 821 C LEU A 59 -4.809 10.867 2.987 1.00 64.52 C ATOM 822 O LEU A 59 -3.926 10.901 2.129 1.00 15.12 O ATOM 823 CB LEU A 59 -4.768 9.109 4.765 1.00 32.53 C ATOM 824 CG LEU A 59 -5.532 8.061 5.575 1.00 23.21 C ATOM 825 CD1 LEU A 59 -4.716 7.618 6.779 1.00 52.52 C ATOM 826 CD2 LEU A 59 -6.882 8.608 6.016 1.00 40.02 C ATOM 0 H LEU A 59 -4.624 7.766 2.695 1.00 52.32 H new ATOM 0 HA LEU A 59 -6.487 9.708 3.620 1.00 2.42 H new ATOM 0 HB2 LEU A 59 -3.778 8.713 4.539 1.00 32.53 H new ATOM 0 HB3 LEU A 59 -4.624 9.989 5.392 1.00 32.53 H new ATOM 0 HG LEU A 59 -5.704 7.193 4.939 1.00 23.21 H new ATOM 0 HD11 LEU A 59 -5.276 6.872 7.343 1.00 52.52 H new ATOM 0 HD12 LEU A 59 -3.774 7.186 6.441 1.00 52.52 H new ATOM 0 HD13 LEU A 59 -4.512 8.478 7.417 1.00 52.52 H new ATOM 0 HD21 LEU A 59 -7.412 7.849 6.591 1.00 40.02 H new ATOM 0 HD22 LEU A 59 -6.732 9.493 6.635 1.00 40.02 H new ATOM 0 HD23 LEU A 59 -7.471 8.875 5.138 1.00 40.02 H new ATOM 837 N PRO A 60 -5.287 11.980 3.563 1.00 30.34 N ATOM 838 CA PRO A 60 -4.800 13.321 3.223 1.00 13.50 C ATOM 839 C PRO A 60 -3.376 13.561 3.713 1.00 2.13 C ATOM 840 O PRO A 60 -2.664 14.415 3.186 1.00 40.13 O ATOM 841 CB PRO A 60 -5.779 14.248 3.948 1.00 15.41 C ATOM 842 CG PRO A 60 -6.300 13.436 5.084 1.00 0.31 C ATOM 843 CD PRO A 60 -6.340 12.015 4.592 1.00 75.10 C ATOM 0 HA PRO A 60 -4.760 13.480 2.145 1.00 13.50 H new ATOM 0 HB2 PRO A 60 -5.281 15.151 4.302 1.00 15.41 H new ATOM 0 HB3 PRO A 60 -6.585 14.567 3.287 1.00 15.41 H new ATOM 0 HG2 PRO A 60 -5.655 13.529 5.958 1.00 0.31 H new ATOM 0 HG3 PRO A 60 -7.292 13.774 5.383 1.00 0.31 H new ATOM 0 HD2 PRO A 60 -6.140 11.306 5.395 1.00 75.10 H new ATOM 0 HD3 PRO A 60 -7.315 11.761 4.177 1.00 75.10 H new ATOM 848 N ASN A 61 -2.966 12.802 4.725 1.00 2.02 N ATOM 849 CA ASN A 61 -1.627 12.933 5.286 1.00 24.42 C ATOM 850 C ASN A 61 -0.613 12.144 4.464 1.00 65.22 C ATOM 851 O ASN A 61 0.577 12.127 4.775 1.00 50.20 O ATOM 852 CB ASN A 61 -1.609 12.450 6.737 1.00 60.41 C ATOM 853 CG ASN A 61 -2.195 11.060 6.890 1.00 1.04 C ATOM 854 OD1 ASN A 61 -2.441 10.364 5.905 1.00 31.41 O ATOM 855 ND2 ASN A 61 -2.425 10.648 8.133 1.00 22.12 N ATOM 0 H ASN A 61 -3.543 12.090 5.173 1.00 2.02 H new ATOM 0 HA ASN A 61 -1.351 13.987 5.257 1.00 24.42 H new ATOM 0 HB2 ASN A 61 -0.583 12.451 7.105 1.00 60.41 H new ATOM 0 HB3 ASN A 61 -2.171 13.149 7.357 1.00 60.41 H new ATOM 0 HD21 ASN A 61 -2.820 9.722 8.299 1.00 22.12 H new ATOM 0 HD22 ASN A 61 -2.206 11.258 8.921 1.00 22.12 H new ATOM 861 N GLY A 62 -1.094 11.491 3.410 1.00 43.41 N ATOM 862 CA GLY A 62 -0.217 10.709 2.557 1.00 4.32 C ATOM 863 C GLY A 62 -0.152 9.253 2.974 1.00 52.34 C ATOM 864 O GLY A 62 0.851 8.578 2.740 1.00 12.33 O ATOM 0 H GLY A 62 -2.075 11.490 3.132 1.00 43.41 H new ATOM 0 HA2 GLY A 62 -0.565 10.774 1.526 1.00 4.32 H new ATOM 0 HA3 GLY A 62 0.785 11.136 2.582 1.00 4.32 H new ATOM 868 N SER A 63 -1.222 8.768 3.594 1.00 43.43 N ATOM 869 CA SER A 63 -1.280 7.383 4.049 1.00 21.43 C ATOM 870 C SER A 63 -2.263 6.575 3.207 1.00 14.51 C ATOM 871 O SER A 63 -2.898 7.104 2.295 1.00 61.24 O ATOM 872 CB SER A 63 -1.686 7.326 5.523 1.00 14.24 C ATOM 873 OG SER A 63 -0.562 7.490 6.370 1.00 54.31 O ATOM 0 H SER A 63 -2.061 9.313 3.793 1.00 43.43 H new ATOM 0 HA SER A 63 -0.288 6.947 3.935 1.00 21.43 H new ATOM 0 HB2 SER A 63 -2.419 8.105 5.732 1.00 14.24 H new ATOM 0 HB3 SER A 63 -2.167 6.371 5.734 1.00 14.24 H new ATOM 0 HG SER A 63 -0.849 7.451 7.306 1.00 54.31 H new ATOM 878 N LEU A 64 -2.382 5.290 3.520 1.00 14.53 N ATOM 879 CA LEU A 64 -3.287 4.406 2.794 1.00 53.12 C ATOM 880 C LEU A 64 -4.200 3.651 3.755 1.00 61.15 C ATOM 881 O LEU A 64 -3.734 3.027 4.709 1.00 73.31 O ATOM 882 CB LEU A 64 -2.491 3.415 1.944 1.00 60.33 C ATOM 883 CG LEU A 64 -3.263 2.199 1.431 1.00 43.34 C ATOM 884 CD1 LEU A 64 -4.543 2.634 0.735 1.00 41.43 C ATOM 885 CD2 LEU A 64 -2.396 1.375 0.490 1.00 70.24 C ATOM 0 H LEU A 64 -1.863 4.837 4.272 1.00 14.53 H new ATOM 0 HA LEU A 64 -3.907 5.020 2.140 1.00 53.12 H new ATOM 0 HB2 LEU A 64 -2.082 3.949 1.086 1.00 60.33 H new ATOM 0 HB3 LEU A 64 -1.644 3.061 2.532 1.00 60.33 H new ATOM 0 HG LEU A 64 -3.531 1.577 2.285 1.00 43.34 H new ATOM 0 HD11 LEU A 64 -5.079 1.755 0.377 1.00 41.43 H new ATOM 0 HD12 LEU A 64 -5.172 3.181 1.438 1.00 41.43 H new ATOM 0 HD13 LEU A 64 -4.297 3.278 -0.109 1.00 41.43 H new ATOM 0 HD21 LEU A 64 -2.962 0.514 0.135 1.00 70.24 H new ATOM 0 HD22 LEU A 64 -2.097 1.988 -0.360 1.00 70.24 H new ATOM 0 HD23 LEU A 64 -1.508 1.032 1.020 1.00 70.24 H new ATOM 896 N PHE A 65 -5.502 3.711 3.496 1.00 22.22 N ATOM 897 CA PHE A 65 -6.481 3.031 4.338 1.00 52.14 C ATOM 898 C PHE A 65 -7.375 2.119 3.503 1.00 35.24 C ATOM 899 O PHE A 65 -7.933 2.538 2.488 1.00 25.42 O ATOM 900 CB PHE A 65 -7.334 4.053 5.089 1.00 21.31 C ATOM 901 CG PHE A 65 -8.557 3.459 5.730 1.00 42.12 C ATOM 902 CD1 PHE A 65 -8.475 2.271 6.438 1.00 31.42 C ATOM 903 CD2 PHE A 65 -9.786 4.088 5.622 1.00 64.30 C ATOM 904 CE1 PHE A 65 -9.598 1.723 7.027 1.00 44.20 C ATOM 905 CE2 PHE A 65 -10.913 3.543 6.208 1.00 11.24 C ATOM 906 CZ PHE A 65 -10.818 2.359 6.913 1.00 31.14 C ATOM 0 H PHE A 65 -5.904 4.223 2.711 1.00 22.22 H new ATOM 0 HA PHE A 65 -5.941 2.418 5.060 1.00 52.14 H new ATOM 0 HB2 PHE A 65 -6.725 4.528 5.858 1.00 21.31 H new ATOM 0 HB3 PHE A 65 -7.641 4.837 4.397 1.00 21.31 H new ATOM 0 HD1 PHE A 65 -7.524 1.768 6.530 1.00 31.42 H new ATOM 0 HD2 PHE A 65 -9.865 5.015 5.074 1.00 64.30 H new ATOM 0 HE1 PHE A 65 -9.522 0.797 7.577 1.00 44.20 H new ATOM 0 HE2 PHE A 65 -11.866 4.042 6.115 1.00 11.24 H new ATOM 0 HZ PHE A 65 -11.696 1.932 7.374 1.00 31.14 H new ATOM 915 N LEU A 66 -7.506 0.871 3.938 1.00 63.44 N ATOM 916 CA LEU A 66 -8.333 -0.103 3.231 1.00 32.52 C ATOM 917 C LEU A 66 -9.491 -0.569 4.107 1.00 10.42 C ATOM 918 O LEU A 66 -9.312 -0.956 5.261 1.00 14.42 O ATOM 919 CB LEU A 66 -7.487 -1.302 2.800 1.00 34.15 C ATOM 920 CG LEU A 66 -6.248 -0.984 1.963 1.00 31.02 C ATOM 921 CD1 LEU A 66 -4.987 -1.132 2.799 1.00 33.42 C ATOM 922 CD2 LEU A 66 -6.187 -1.883 0.738 1.00 2.22 C ATOM 0 H LEU A 66 -7.051 0.509 4.776 1.00 63.44 H new ATOM 0 HA LEU A 66 -8.744 0.379 2.344 1.00 32.52 H new ATOM 0 HB2 LEU A 66 -7.169 -1.837 3.695 1.00 34.15 H new ATOM 0 HB3 LEU A 66 -8.121 -1.982 2.231 1.00 34.15 H new ATOM 0 HG LEU A 66 -6.316 0.050 1.626 1.00 31.02 H new ATOM 0 HD11 LEU A 66 -4.115 -0.902 2.186 1.00 33.42 H new ATOM 0 HD12 LEU A 66 -5.028 -0.445 3.644 1.00 33.42 H new ATOM 0 HD13 LEU A 66 -4.912 -2.155 3.166 1.00 33.42 H new ATOM 0 HD21 LEU A 66 -5.299 -1.642 0.154 1.00 2.22 H new ATOM 0 HD22 LEU A 66 -6.143 -2.925 1.054 1.00 2.22 H new ATOM 0 HD23 LEU A 66 -7.076 -1.726 0.127 1.00 2.22 H new ATOM 933 N PRO A 67 -10.708 -0.537 3.545 1.00 43.31 N ATOM 934 CA PRO A 67 -11.920 -0.957 4.255 1.00 72.42 C ATOM 935 C PRO A 67 -11.961 -2.463 4.491 1.00 20.31 C ATOM 936 O PRO A 67 -12.462 -2.927 5.515 1.00 33.52 O ATOM 937 CB PRO A 67 -13.049 -0.531 3.314 1.00 13.42 C ATOM 938 CG PRO A 67 -12.425 -0.507 1.961 1.00 35.14 C ATOM 939 CD PRO A 67 -10.996 -0.087 2.172 1.00 45.41 C ATOM 0 HA PRO A 67 -11.985 -0.513 5.248 1.00 72.42 H new ATOM 0 HB2 PRO A 67 -13.883 -1.232 3.353 1.00 13.42 H new ATOM 0 HB3 PRO A 67 -13.443 0.448 3.586 1.00 13.42 H new ATOM 0 HG2 PRO A 67 -12.478 -1.488 1.489 1.00 35.14 H new ATOM 0 HG3 PRO A 67 -12.944 0.191 1.304 1.00 35.14 H new ATOM 0 HD2 PRO A 67 -10.329 -0.554 1.448 1.00 45.41 H new ATOM 0 HD3 PRO A 67 -10.874 0.991 2.069 1.00 45.41 H new ATOM 944 N ALA A 68 -11.432 -3.222 3.537 1.00 71.41 N ATOM 945 CA ALA A 68 -11.407 -4.675 3.641 1.00 14.34 C ATOM 946 C ALA A 68 -10.503 -5.286 2.577 1.00 50.01 C ATOM 947 O ALA A 68 -10.894 -5.418 1.416 1.00 22.11 O ATOM 948 CB ALA A 68 -12.817 -5.236 3.527 1.00 15.31 C ATOM 0 H ALA A 68 -11.015 -2.854 2.682 1.00 71.41 H new ATOM 0 HA ALA A 68 -11.001 -4.938 4.618 1.00 14.34 H new ATOM 0 HB1 ALA A 68 -12.784 -6.323 3.606 1.00 15.31 H new ATOM 0 HB2 ALA A 68 -13.435 -4.832 4.329 1.00 15.31 H new ATOM 0 HB3 ALA A 68 -13.243 -4.955 2.564 1.00 15.31 H new ATOM 954 N VAL A 69 -9.292 -5.659 2.977 1.00 11.31 N ATOM 955 CA VAL A 69 -8.333 -6.257 2.057 1.00 31.10 C ATOM 956 C VAL A 69 -8.722 -7.690 1.712 1.00 50.33 C ATOM 957 O VAL A 69 -8.722 -8.569 2.574 1.00 54.51 O ATOM 958 CB VAL A 69 -6.909 -6.251 2.648 1.00 64.43 C ATOM 959 CG1 VAL A 69 -6.366 -4.833 2.717 1.00 71.55 C ATOM 960 CG2 VAL A 69 -6.901 -6.901 4.023 1.00 63.52 C ATOM 0 H VAL A 69 -8.952 -5.557 3.933 1.00 11.31 H new ATOM 0 HA VAL A 69 -8.345 -5.652 1.150 1.00 31.10 H new ATOM 0 HB VAL A 69 -6.260 -6.832 1.993 1.00 64.43 H new ATOM 0 HG11 VAL A 69 -5.360 -4.849 3.137 1.00 71.55 H new ATOM 0 HG12 VAL A 69 -6.334 -4.406 1.714 1.00 71.55 H new ATOM 0 HG13 VAL A 69 -7.014 -4.226 3.349 1.00 71.55 H new ATOM 0 HG21 VAL A 69 -5.888 -6.888 4.426 1.00 63.52 H new ATOM 0 HG22 VAL A 69 -7.564 -6.349 4.690 1.00 63.52 H new ATOM 0 HG23 VAL A 69 -7.246 -7.932 3.940 1.00 63.52 H new ATOM 970 N GLY A 70 -9.053 -7.920 0.445 1.00 32.23 N ATOM 971 CA GLY A 70 -9.440 -9.248 0.007 1.00 55.11 C ATOM 972 C GLY A 70 -8.245 -10.116 -0.333 1.00 24.11 C ATOM 973 O GLY A 70 -7.125 -9.621 -0.457 1.00 52.15 O ATOM 0 H GLY A 70 -9.060 -7.209 -0.287 1.00 32.23 H new ATOM 0 HA2 GLY A 70 -10.024 -9.730 0.791 1.00 55.11 H new ATOM 0 HA3 GLY A 70 -10.086 -9.165 -0.867 1.00 55.11 H new ATOM 977 N ILE A 71 -8.484 -11.415 -0.482 1.00 52.25 N ATOM 978 CA ILE A 71 -7.417 -12.354 -0.811 1.00 4.24 C ATOM 979 C ILE A 71 -6.679 -11.926 -2.074 1.00 24.12 C ATOM 980 O ILE A 71 -5.484 -12.182 -2.222 1.00 12.21 O ATOM 981 CB ILE A 71 -7.966 -13.781 -1.007 1.00 73.05 C ATOM 982 CG1 ILE A 71 -6.934 -14.813 -0.545 1.00 64.31 C ATOM 983 CG2 ILE A 71 -8.337 -14.010 -2.464 1.00 61.44 C ATOM 984 CD1 ILE A 71 -6.862 -16.033 -1.437 1.00 65.10 C ATOM 0 H ILE A 71 -9.405 -11.841 -0.380 1.00 52.25 H new ATOM 0 HA ILE A 71 -6.723 -12.353 0.029 1.00 4.24 H new ATOM 0 HB ILE A 71 -8.865 -13.897 -0.402 1.00 73.05 H new ATOM 0 HG12 ILE A 71 -5.952 -14.342 -0.507 1.00 64.31 H new ATOM 0 HG13 ILE A 71 -7.176 -15.128 0.470 1.00 64.31 H new ATOM 0 HG21 ILE A 71 -8.723 -15.022 -2.586 1.00 61.44 H new ATOM 0 HG22 ILE A 71 -9.101 -13.292 -2.762 1.00 61.44 H new ATOM 0 HG23 ILE A 71 -7.453 -13.881 -3.089 1.00 61.44 H new ATOM 0 HD11 ILE A 71 -6.111 -16.722 -1.051 1.00 65.10 H new ATOM 0 HD12 ILE A 71 -7.833 -16.528 -1.456 1.00 65.10 H new ATOM 0 HD13 ILE A 71 -6.590 -15.729 -2.448 1.00 65.10 H new ATOM 995 N GLN A 72 -7.397 -11.273 -2.982 1.00 2.32 N ATOM 996 CA GLN A 72 -6.808 -10.810 -4.232 1.00 62.31 C ATOM 997 C GLN A 72 -5.957 -9.565 -4.005 1.00 11.21 C ATOM 998 O GLN A 72 -5.073 -9.252 -4.802 1.00 2.23 O ATOM 999 CB GLN A 72 -7.904 -10.512 -5.257 1.00 45.22 C ATOM 1000 CG GLN A 72 -8.854 -9.407 -4.828 1.00 64.41 C ATOM 1001 CD GLN A 72 -10.126 -9.377 -5.652 1.00 32.15 C ATOM 1002 OE1 GLN A 72 -10.475 -8.354 -6.242 1.00 2.35 O ATOM 1003 NE2 GLN A 72 -10.829 -10.503 -5.697 1.00 50.42 N ATOM 0 H GLN A 72 -8.387 -11.053 -2.875 1.00 2.32 H new ATOM 0 HA GLN A 72 -6.165 -11.602 -4.616 1.00 62.31 H new ATOM 0 HB2 GLN A 72 -7.439 -10.233 -6.203 1.00 45.22 H new ATOM 0 HB3 GLN A 72 -8.477 -11.421 -5.439 1.00 45.22 H new ATOM 0 HG2 GLN A 72 -9.110 -9.541 -3.777 1.00 64.41 H new ATOM 0 HG3 GLN A 72 -8.348 -8.445 -4.913 1.00 64.41 H new ATOM 0 HE21 GLN A 72 -10.503 -11.328 -5.193 1.00 50.42 H new ATOM 0 HE22 GLN A 72 -11.694 -10.543 -6.235 1.00 50.42 H new ATOM 1010 N ASP A 73 -6.230 -8.861 -2.912 1.00 74.44 N ATOM 1011 CA ASP A 73 -5.488 -7.650 -2.580 1.00 1.03 C ATOM 1012 C ASP A 73 -4.099 -7.991 -2.048 1.00 63.15 C ATOM 1013 O ASP A 73 -3.282 -7.104 -1.805 1.00 64.02 O ATOM 1014 CB ASP A 73 -6.254 -6.825 -1.544 1.00 4.11 C ATOM 1015 CG ASP A 73 -6.971 -5.641 -2.163 1.00 34.31 C ATOM 1016 OD1 ASP A 73 -8.019 -5.851 -2.807 1.00 72.23 O ATOM 1017 OD2 ASP A 73 -6.482 -4.501 -2.002 1.00 51.24 O ATOM 0 H ASP A 73 -6.958 -9.107 -2.242 1.00 74.44 H new ATOM 0 HA ASP A 73 -5.375 -7.063 -3.491 1.00 1.03 H new ATOM 0 HB2 ASP A 73 -6.980 -7.463 -1.040 1.00 4.11 H new ATOM 0 HB3 ASP A 73 -5.560 -6.469 -0.782 1.00 4.11 H new ATOM 1021 N GLU A 74 -3.842 -9.284 -1.870 1.00 40.13 N ATOM 1022 CA GLU A 74 -2.552 -9.741 -1.365 1.00 44.43 C ATOM 1023 C GLU A 74 -1.419 -9.294 -2.284 1.00 42.33 C ATOM 1024 O GLU A 74 -1.552 -9.313 -3.506 1.00 43.32 O ATOM 1025 CB GLU A 74 -2.545 -11.266 -1.233 1.00 74.30 C ATOM 1026 CG GLU A 74 -2.683 -11.994 -2.560 1.00 21.11 C ATOM 1027 CD GLU A 74 -1.349 -12.454 -3.115 1.00 2.05 C ATOM 1028 OE1 GLU A 74 -0.626 -13.179 -2.399 1.00 23.43 O ATOM 1029 OE2 GLU A 74 -1.030 -12.090 -4.266 1.00 72.11 O ATOM 0 H GLU A 74 -4.508 -10.031 -2.067 1.00 40.13 H new ATOM 0 HA GLU A 74 -2.396 -9.296 -0.382 1.00 44.43 H new ATOM 0 HB2 GLU A 74 -1.617 -11.576 -0.753 1.00 74.30 H new ATOM 0 HB3 GLU A 74 -3.360 -11.569 -0.576 1.00 74.30 H new ATOM 0 HG2 GLU A 74 -3.335 -12.858 -2.430 1.00 21.11 H new ATOM 0 HG3 GLU A 74 -3.165 -11.336 -3.283 1.00 21.11 H new ATOM 1034 N GLY A 75 -0.303 -8.892 -1.683 1.00 31.53 N ATOM 1035 CA GLY A 75 0.837 -8.444 -2.462 1.00 12.11 C ATOM 1036 C GLY A 75 1.852 -7.691 -1.623 1.00 71.55 C ATOM 1037 O GLY A 75 2.029 -7.983 -0.441 1.00 31.31 O ATOM 0 H GLY A 75 -0.168 -8.869 -0.672 1.00 31.53 H new ATOM 0 HA2 GLY A 75 1.319 -9.306 -2.924 1.00 12.11 H new ATOM 0 HA3 GLY A 75 0.490 -7.801 -3.271 1.00 12.11 H new ATOM 1041 N ILE A 76 2.519 -6.719 -2.237 1.00 12.04 N ATOM 1042 CA ILE A 76 3.522 -5.923 -1.539 1.00 21.31 C ATOM 1043 C ILE A 76 3.289 -4.433 -1.760 1.00 70.05 C ATOM 1044 O ILE A 76 3.026 -3.992 -2.880 1.00 13.23 O ATOM 1045 CB ILE A 76 4.947 -6.283 -1.998 1.00 21.00 C ATOM 1046 CG1 ILE A 76 5.092 -7.799 -2.144 1.00 62.33 C ATOM 1047 CG2 ILE A 76 5.973 -5.739 -1.016 1.00 41.21 C ATOM 1048 CD1 ILE A 76 4.753 -8.308 -3.528 1.00 42.11 C ATOM 0 H ILE A 76 2.383 -6.464 -3.215 1.00 12.04 H new ATOM 0 HA ILE A 76 3.424 -6.151 -0.478 1.00 21.31 H new ATOM 0 HB ILE A 76 5.126 -5.825 -2.971 1.00 21.00 H new ATOM 0 HG12 ILE A 76 6.116 -8.083 -1.902 1.00 62.33 H new ATOM 0 HG13 ILE A 76 4.445 -8.289 -1.417 1.00 62.33 H new ATOM 0 HG21 ILE A 76 6.975 -6.002 -1.354 1.00 41.21 H new ATOM 0 HG22 ILE A 76 5.882 -4.654 -0.958 1.00 41.21 H new ATOM 0 HG23 ILE A 76 5.798 -6.171 -0.031 1.00 41.21 H new ATOM 0 HD11 ILE A 76 4.878 -9.390 -3.558 1.00 42.11 H new ATOM 0 HD12 ILE A 76 3.720 -8.055 -3.766 1.00 42.11 H new ATOM 0 HD13 ILE A 76 5.417 -7.846 -4.258 1.00 42.11 H new ATOM 1059 N PHE A 77 3.390 -3.657 -0.685 1.00 4.00 N ATOM 1060 CA PHE A 77 3.191 -2.215 -0.760 1.00 10.24 C ATOM 1061 C PHE A 77 4.530 -1.483 -0.799 1.00 71.25 C ATOM 1062 O PHE A 77 5.377 -1.667 0.075 1.00 23.44 O ATOM 1063 CB PHE A 77 2.368 -1.729 0.434 1.00 40.23 C ATOM 1064 CG PHE A 77 0.961 -2.254 0.445 1.00 43.43 C ATOM 1065 CD1 PHE A 77 0.716 -3.611 0.589 1.00 22.13 C ATOM 1066 CD2 PHE A 77 -0.116 -1.392 0.312 1.00 45.31 C ATOM 1067 CE1 PHE A 77 -0.578 -4.098 0.600 1.00 21.41 C ATOM 1068 CE2 PHE A 77 -1.412 -1.875 0.323 1.00 23.21 C ATOM 1069 CZ PHE A 77 -1.643 -3.230 0.466 1.00 50.21 C ATOM 0 H PHE A 77 3.609 -4.004 0.249 1.00 4.00 H new ATOM 0 HA PHE A 77 2.649 -1.996 -1.680 1.00 10.24 H new ATOM 0 HB2 PHE A 77 2.867 -2.030 1.355 1.00 40.23 H new ATOM 0 HB3 PHE A 77 2.341 -0.639 0.427 1.00 40.23 H new ATOM 0 HD1 PHE A 77 1.545 -4.295 0.694 1.00 22.13 H new ATOM 0 HD2 PHE A 77 0.058 -0.332 0.199 1.00 45.31 H new ATOM 0 HE1 PHE A 77 -0.756 -5.157 0.713 1.00 21.41 H new ATOM 0 HE2 PHE A 77 -2.243 -1.193 0.220 1.00 23.21 H new ATOM 0 HZ PHE A 77 -2.654 -3.609 0.473 1.00 50.21 H new ATOM 1078 N ARG A 78 4.715 -0.654 -1.823 1.00 5.12 N ATOM 1079 CA ARG A 78 5.950 0.104 -1.979 1.00 1.24 C ATOM 1080 C ARG A 78 5.655 1.582 -2.212 1.00 44.52 C ATOM 1081 O ARG A 78 4.883 1.938 -3.103 1.00 53.24 O ATOM 1082 CB ARG A 78 6.772 -0.454 -3.142 1.00 60.52 C ATOM 1083 CG ARG A 78 8.221 -0.743 -2.782 1.00 25.12 C ATOM 1084 CD ARG A 78 9.175 0.157 -3.550 1.00 73.32 C ATOM 1085 NE ARG A 78 9.911 -0.574 -4.577 1.00 52.13 N ATOM 1086 CZ ARG A 78 10.463 0.004 -5.639 1.00 34.03 C ATOM 1087 NH1 ARG A 78 10.363 1.314 -5.811 1.00 23.34 N ATOM 1088 NH2 ARG A 78 11.117 -0.730 -6.529 1.00 41.41 N ATOM 0 H ARG A 78 4.025 -0.491 -2.556 1.00 5.12 H new ATOM 0 HA ARG A 78 6.525 0.008 -1.058 1.00 1.24 H new ATOM 0 HB2 ARG A 78 6.305 -1.372 -3.498 1.00 60.52 H new ATOM 0 HB3 ARG A 78 6.747 0.257 -3.968 1.00 60.52 H new ATOM 0 HG2 ARG A 78 8.367 -0.600 -1.711 1.00 25.12 H new ATOM 0 HG3 ARG A 78 8.450 -1.787 -2.998 1.00 25.12 H new ATOM 0 HD2 ARG A 78 8.614 0.968 -4.014 1.00 73.32 H new ATOM 0 HD3 ARG A 78 9.880 0.614 -2.856 1.00 73.32 H new ATOM 0 HE ARG A 78 10.007 -1.584 -4.474 1.00 52.13 H new ATOM 0 HH11 ARG A 78 9.862 1.881 -5.128 1.00 23.34 H new ATOM 0 HH12 ARG A 78 10.788 1.755 -6.627 1.00 23.34 H new ATOM 0 HH21 ARG A 78 11.197 -1.739 -6.399 1.00 41.41 H new ATOM 0 HH22 ARG A 78 11.540 -0.286 -7.344 1.00 41.41 H new ATOM 1099 N CYS A 79 6.273 2.438 -1.407 1.00 12.31 N ATOM 1100 CA CYS A 79 6.078 3.879 -1.524 1.00 44.33 C ATOM 1101 C CYS A 79 7.404 4.590 -1.779 1.00 5.20 C ATOM 1102 O CYS A 79 8.458 4.134 -1.334 1.00 61.10 O ATOM 1103 CB CYS A 79 5.425 4.431 -0.255 1.00 11.42 C ATOM 1104 SG CYS A 79 6.382 5.749 0.558 1.00 12.24 S ATOM 0 H CYS A 79 6.915 2.159 -0.665 1.00 12.31 H new ATOM 0 HA CYS A 79 5.420 4.063 -2.373 1.00 44.33 H new ATOM 0 HB2 CYS A 79 4.436 4.816 -0.505 1.00 11.42 H new ATOM 0 HB3 CYS A 79 5.279 3.614 0.451 1.00 11.42 H new ATOM 1108 N GLN A 80 7.342 5.705 -2.496 1.00 61.15 N ATOM 1109 CA GLN A 80 8.538 6.478 -2.809 1.00 73.41 C ATOM 1110 C GLN A 80 8.246 7.975 -2.770 1.00 4.55 C ATOM 1111 O GLN A 80 7.324 8.455 -3.431 1.00 11.35 O ATOM 1112 CB GLN A 80 9.076 6.089 -4.188 1.00 20.21 C ATOM 1113 CG GLN A 80 10.321 6.860 -4.595 1.00 3.01 C ATOM 1114 CD GLN A 80 11.567 6.378 -3.879 1.00 2.10 C ATOM 1115 OE1 GLN A 80 11.629 6.377 -2.650 1.00 71.21 O ATOM 1116 NE2 GLN A 80 12.568 5.963 -4.647 1.00 62.32 N ATOM 0 H GLN A 80 6.477 6.094 -2.872 1.00 61.15 H new ATOM 0 HA GLN A 80 9.292 6.253 -2.054 1.00 73.41 H new ATOM 0 HB2 GLN A 80 9.301 5.023 -4.193 1.00 20.21 H new ATOM 0 HB3 GLN A 80 8.297 6.254 -4.932 1.00 20.21 H new ATOM 0 HG2 GLN A 80 10.466 6.766 -5.671 1.00 3.01 H new ATOM 0 HG3 GLN A 80 10.173 7.919 -4.385 1.00 3.01 H new ATOM 0 HE21 GLN A 80 12.473 5.981 -5.662 1.00 62.32 H new ATOM 0 HE22 GLN A 80 13.432 5.626 -4.221 1.00 62.32 H new ATOM 1123 N ALA A 81 9.035 8.707 -1.991 1.00 60.11 N ATOM 1124 CA ALA A 81 8.861 10.149 -1.867 1.00 11.00 C ATOM 1125 C ALA A 81 10.195 10.876 -1.998 1.00 74.43 C ATOM 1126 O ALA A 81 11.258 10.270 -1.865 1.00 73.12 O ATOM 1127 CB ALA A 81 8.202 10.489 -0.538 1.00 5.34 C ATOM 0 H ALA A 81 9.801 8.325 -1.436 1.00 60.11 H new ATOM 0 HA ALA A 81 8.213 10.483 -2.678 1.00 11.00 H new ATOM 0 HB1 ALA A 81 8.078 11.569 -0.459 1.00 5.34 H new ATOM 0 HB2 ALA A 81 7.226 10.007 -0.482 1.00 5.34 H new ATOM 0 HB3 ALA A 81 8.829 10.135 0.280 1.00 5.34 H new ATOM 1133 N MET A 82 10.132 12.177 -2.262 1.00 31.24 N ATOM 1134 CA MET A 82 11.336 12.986 -2.411 1.00 23.43 C ATOM 1135 C MET A 82 11.253 14.248 -1.558 1.00 24.44 C ATOM 1136 O MET A 82 10.295 15.013 -1.657 1.00 63.32 O ATOM 1137 CB MET A 82 11.543 13.362 -3.879 1.00 53.02 C ATOM 1138 CG MET A 82 12.814 14.159 -4.128 1.00 33.12 C ATOM 1139 SD MET A 82 14.289 13.123 -4.154 1.00 40.12 S ATOM 1140 CE MET A 82 13.897 12.009 -5.501 1.00 50.34 C ATOM 0 H MET A 82 9.260 12.693 -2.377 1.00 31.24 H new ATOM 0 HA MET A 82 12.186 12.395 -2.070 1.00 23.43 H new ATOM 0 HB2 MET A 82 11.571 12.452 -4.478 1.00 53.02 H new ATOM 0 HB3 MET A 82 10.687 13.943 -4.221 1.00 53.02 H new ATOM 0 HG2 MET A 82 12.728 14.686 -5.078 1.00 33.12 H new ATOM 0 HG3 MET A 82 12.921 14.917 -3.352 1.00 33.12 H new ATOM 0 HE1 MET A 82 14.814 11.555 -5.876 1.00 50.34 H new ATOM 0 HE2 MET A 82 13.225 11.229 -5.144 1.00 50.34 H new ATOM 0 HE3 MET A 82 13.413 12.565 -6.304 1.00 50.34 H new ATOM 1148 N ASN A 83 12.261 14.457 -0.717 1.00 65.45 N ATOM 1149 CA ASN A 83 12.300 15.625 0.154 1.00 74.31 C ATOM 1150 C ASN A 83 12.929 16.817 -0.563 1.00 23.04 C ATOM 1151 O ASN A 83 13.475 16.678 -1.656 1.00 62.23 O ATOM 1152 CB ASN A 83 13.085 15.310 1.429 1.00 51.42 C ATOM 1153 CG ASN A 83 12.633 14.018 2.082 1.00 51.42 C ATOM 1154 OD1 ASN A 83 13.454 13.180 2.459 1.00 43.13 O ATOM 1155 ND2 ASN A 83 11.323 13.851 2.219 1.00 20.02 N ATOM 0 H ASN A 83 13.062 13.832 -0.621 1.00 65.45 H new ATOM 0 HA ASN A 83 11.275 15.883 0.421 1.00 74.31 H new ATOM 0 HB2 ASN A 83 14.147 15.242 1.191 1.00 51.42 H new ATOM 0 HB3 ASN A 83 12.969 16.131 2.136 1.00 51.42 H new ATOM 0 HD21 ASN A 83 10.960 13.002 2.651 1.00 20.02 H new ATOM 0 HD22 ASN A 83 10.680 14.572 1.892 1.00 20.02 H new ATOM 1161 N ARG A 84 12.846 17.986 0.064 1.00 62.43 N ATOM 1162 CA ARG A 84 13.405 19.203 -0.514 1.00 70.31 C ATOM 1163 C ARG A 84 14.931 19.186 -0.445 1.00 25.22 C ATOM 1164 O ARG A 84 15.601 19.942 -1.146 1.00 51.35 O ATOM 1165 CB ARG A 84 12.865 20.433 0.215 1.00 33.42 C ATOM 1166 CG ARG A 84 13.451 21.743 -0.285 1.00 62.44 C ATOM 1167 CD ARG A 84 12.831 22.939 0.423 1.00 21.22 C ATOM 1168 NE ARG A 84 11.583 23.360 -0.206 1.00 24.14 N ATOM 1169 CZ ARG A 84 11.021 24.548 -0.003 1.00 1.54 C ATOM 1170 NH1 ARG A 84 11.596 25.425 0.808 1.00 64.30 N ATOM 1171 NH2 ARG A 84 9.883 24.857 -0.611 1.00 71.25 N ATOM 0 H ARG A 84 12.398 18.116 0.971 1.00 62.43 H new ATOM 0 HA ARG A 84 13.106 19.249 -1.561 1.00 70.31 H new ATOM 0 HB2 ARG A 84 11.781 20.464 0.104 1.00 33.42 H new ATOM 0 HB3 ARG A 84 13.074 20.334 1.280 1.00 33.42 H new ATOM 0 HG2 ARG A 84 14.529 21.744 -0.126 1.00 62.44 H new ATOM 0 HG3 ARG A 84 13.287 21.830 -1.359 1.00 62.44 H new ATOM 0 HD2 ARG A 84 12.644 22.686 1.466 1.00 21.22 H new ATOM 0 HD3 ARG A 84 13.537 23.769 0.419 1.00 21.22 H new ATOM 0 HE ARG A 84 11.116 22.707 -0.836 1.00 24.14 H new ATOM 0 HH11 ARG A 84 12.470 25.189 1.277 1.00 64.30 H new ATOM 0 HH12 ARG A 84 11.164 26.336 0.963 1.00 64.30 H new ATOM 0 HH21 ARG A 84 9.439 24.183 -1.235 1.00 71.25 H new ATOM 0 HH22 ARG A 84 9.452 25.768 -0.455 1.00 71.25 H new ATOM 1182 N ASN A 85 15.470 18.319 0.406 1.00 61.10 N ATOM 1183 CA ASN A 85 16.914 18.203 0.567 1.00 74.40 C ATOM 1184 C ASN A 85 17.546 17.535 -0.650 1.00 73.20 C ATOM 1185 O ASN A 85 18.742 17.680 -0.900 1.00 32.13 O ATOM 1186 CB ASN A 85 17.246 17.407 1.831 1.00 30.24 C ATOM 1187 CG ASN A 85 16.475 17.897 3.041 1.00 35.14 C ATOM 1188 OD1 ASN A 85 15.415 17.368 3.372 1.00 11.03 O ATOM 1189 ND2 ASN A 85 17.008 18.914 3.710 1.00 60.34 N ATOM 0 H ASN A 85 14.928 17.687 0.995 1.00 61.10 H new ATOM 0 HA ASN A 85 17.325 19.208 0.661 1.00 74.40 H new ATOM 0 HB2 ASN A 85 17.022 16.354 1.663 1.00 30.24 H new ATOM 0 HB3 ASN A 85 18.315 17.478 2.032 1.00 30.24 H new ATOM 0 HD21 ASN A 85 16.536 19.286 4.534 1.00 60.34 H new ATOM 0 HD22 ASN A 85 17.890 19.322 3.400 1.00 60.34 H new ATOM 1195 N GLY A 86 16.734 16.803 -1.406 1.00 24.05 N ATOM 1196 CA GLY A 86 17.230 16.124 -2.587 1.00 3.14 C ATOM 1197 C GLY A 86 17.200 14.614 -2.444 1.00 10.32 C ATOM 1198 O GLY A 86 17.204 13.888 -3.438 1.00 12.30 O ATOM 0 H GLY A 86 15.740 16.668 -1.221 1.00 24.05 H new ATOM 0 HA2 GLY A 86 16.630 16.416 -3.449 1.00 3.14 H new ATOM 0 HA3 GLY A 86 18.252 16.447 -2.786 1.00 3.14 H new ATOM 1202 N LYS A 87 17.172 14.140 -1.202 1.00 55.43 N ATOM 1203 CA LYS A 87 17.143 12.708 -0.931 1.00 44.02 C ATOM 1204 C LYS A 87 15.717 12.172 -0.990 1.00 21.35 C ATOM 1205 O LYS A 87 14.769 12.866 -0.621 1.00 4.53 O ATOM 1206 CB LYS A 87 17.753 12.415 0.442 1.00 61.33 C ATOM 1207 CG LYS A 87 17.107 13.196 1.574 1.00 43.03 C ATOM 1208 CD LYS A 87 18.147 13.781 2.513 1.00 11.41 C ATOM 1209 CE LYS A 87 19.052 14.772 1.797 1.00 72.02 C ATOM 1210 NZ LYS A 87 20.436 14.245 1.635 1.00 70.10 N ATOM 0 H LYS A 87 17.169 14.727 -0.368 1.00 55.43 H new ATOM 0 HA LYS A 87 17.733 12.207 -1.698 1.00 44.02 H new ATOM 0 HB2 LYS A 87 17.663 11.349 0.650 1.00 61.33 H new ATOM 0 HB3 LYS A 87 18.818 12.646 0.414 1.00 61.33 H new ATOM 0 HG2 LYS A 87 16.496 13.999 1.161 1.00 43.03 H new ATOM 0 HG3 LYS A 87 16.438 12.542 2.133 1.00 43.03 H new ATOM 0 HD2 LYS A 87 17.648 14.278 3.345 1.00 11.41 H new ATOM 0 HD3 LYS A 87 18.749 12.977 2.936 1.00 11.41 H new ATOM 0 HE2 LYS A 87 18.634 15.002 0.817 1.00 72.02 H new ATOM 0 HE3 LYS A 87 19.083 15.706 2.358 1.00 72.02 H new ATOM 0 HZ1 LYS A 87 21.051 14.654 2.367 1.00 70.10 H new ATOM 0 HZ2 LYS A 87 20.426 13.209 1.729 1.00 70.10 H new ATOM 0 HZ3 LYS A 87 20.798 14.504 0.695 1.00 70.10 H new ATOM 1220 N GLU A 88 15.571 10.936 -1.454 1.00 40.34 N ATOM 1221 CA GLU A 88 14.259 10.307 -1.560 1.00 15.02 C ATOM 1222 C GLU A 88 14.073 9.250 -0.476 1.00 0.20 C ATOM 1223 O GLU A 88 15.021 8.562 -0.094 1.00 21.13 O ATOM 1224 CB GLU A 88 14.081 9.676 -2.941 1.00 54.34 C ATOM 1225 CG GLU A 88 14.660 8.275 -3.049 1.00 74.41 C ATOM 1226 CD GLU A 88 14.844 7.829 -4.486 1.00 40.44 C ATOM 1227 OE1 GLU A 88 14.082 8.300 -5.356 1.00 31.51 O ATOM 1228 OE2 GLU A 88 15.750 7.007 -4.741 1.00 71.13 O ATOM 0 H GLU A 88 16.346 10.349 -1.763 1.00 40.34 H new ATOM 0 HA GLU A 88 13.502 11.079 -1.423 1.00 15.02 H new ATOM 0 HB2 GLU A 88 13.018 9.640 -3.181 1.00 54.34 H new ATOM 0 HB3 GLU A 88 14.555 10.314 -3.687 1.00 54.34 H new ATOM 0 HG2 GLU A 88 15.622 8.243 -2.537 1.00 74.41 H new ATOM 0 HG3 GLU A 88 14.002 7.573 -2.536 1.00 74.41 H new ATOM 1233 N THR A 89 12.845 9.124 0.016 1.00 72.35 N ATOM 1234 CA THR A 89 12.534 8.151 1.057 1.00 70.52 C ATOM 1235 C THR A 89 11.840 6.925 0.473 1.00 73.43 C ATOM 1236 O THR A 89 10.845 7.043 -0.243 1.00 13.33 O ATOM 1237 CB THR A 89 11.636 8.764 2.147 1.00 23.25 C ATOM 1238 OG1 THR A 89 11.761 10.191 2.141 1.00 14.12 O ATOM 1239 CG2 THR A 89 12.006 8.223 3.521 1.00 75.05 C ATOM 0 H THR A 89 12.049 9.684 -0.289 1.00 72.35 H new ATOM 0 HA THR A 89 13.482 7.851 1.504 1.00 70.52 H new ATOM 0 HB THR A 89 10.603 8.490 1.932 1.00 23.25 H new ATOM 0 HG1 THR A 89 11.933 10.508 3.052 1.00 14.12 H new ATOM 0 HG21 THR A 89 11.358 8.670 4.275 1.00 75.05 H new ATOM 0 HG22 THR A 89 11.881 7.140 3.531 1.00 75.05 H new ATOM 0 HG23 THR A 89 13.044 8.470 3.742 1.00 75.05 H new ATOM 1247 N LYS A 90 12.371 5.747 0.783 1.00 20.34 N ATOM 1248 CA LYS A 90 11.803 4.498 0.293 1.00 62.34 C ATOM 1249 C LYS A 90 11.051 3.770 1.401 1.00 10.33 C ATOM 1250 O LYS A 90 11.444 3.819 2.567 1.00 53.23 O ATOM 1251 CB LYS A 90 12.906 3.598 -0.268 1.00 10.02 C ATOM 1252 CG LYS A 90 13.840 3.047 0.795 1.00 32.33 C ATOM 1253 CD LYS A 90 13.928 1.532 0.730 1.00 32.21 C ATOM 1254 CE LYS A 90 12.587 0.882 1.035 1.00 33.44 C ATOM 1255 NZ LYS A 90 12.237 0.983 2.479 1.00 32.02 N ATOM 0 H LYS A 90 13.195 5.632 1.372 1.00 20.34 H new ATOM 0 HA LYS A 90 11.098 4.736 -0.503 1.00 62.34 H new ATOM 0 HB2 LYS A 90 12.448 2.767 -0.804 1.00 10.02 H new ATOM 0 HB3 LYS A 90 13.489 4.163 -0.995 1.00 10.02 H new ATOM 0 HG2 LYS A 90 14.834 3.476 0.665 1.00 32.33 H new ATOM 0 HG3 LYS A 90 13.489 3.350 1.781 1.00 32.33 H new ATOM 0 HD2 LYS A 90 14.264 1.228 -0.262 1.00 32.21 H new ATOM 0 HD3 LYS A 90 14.675 1.179 1.441 1.00 32.21 H new ATOM 0 HE2 LYS A 90 11.809 1.358 0.439 1.00 33.44 H new ATOM 0 HE3 LYS A 90 12.617 -0.167 0.741 1.00 33.44 H new ATOM 0 HZ1 LYS A 90 11.378 0.428 2.668 1.00 32.02 H new ATOM 0 HZ2 LYS A 90 13.021 0.613 3.053 1.00 32.02 H new ATOM 0 HZ3 LYS A 90 12.067 1.979 2.726 1.00 32.02 H new ATOM 1265 N SER A 91 9.970 3.092 1.030 1.00 4.40 N ATOM 1266 CA SER A 91 9.162 2.354 1.994 1.00 35.03 C ATOM 1267 C SER A 91 8.616 1.069 1.377 1.00 72.34 C ATOM 1268 O SER A 91 7.906 1.103 0.374 1.00 73.11 O ATOM 1269 CB SER A 91 8.006 3.223 2.495 1.00 23.20 C ATOM 1270 OG SER A 91 8.478 4.469 2.981 1.00 14.31 O ATOM 0 H SER A 91 9.633 3.038 0.069 1.00 4.40 H new ATOM 0 HA SER A 91 9.800 2.089 2.837 1.00 35.03 H new ATOM 0 HB2 SER A 91 7.295 3.390 1.686 1.00 23.20 H new ATOM 0 HB3 SER A 91 7.470 2.700 3.287 1.00 23.20 H new ATOM 0 HG SER A 91 8.047 5.197 2.487 1.00 14.31 H new ATOM 1275 N ASN A 92 8.956 -0.061 1.986 1.00 3.41 N ATOM 1276 CA ASN A 92 8.501 -1.359 1.497 1.00 71.42 C ATOM 1277 C ASN A 92 7.820 -2.151 2.608 1.00 64.33 C ATOM 1278 O ASN A 92 8.435 -2.463 3.629 1.00 61.44 O ATOM 1279 CB ASN A 92 9.679 -2.156 0.935 1.00 0.50 C ATOM 1280 CG ASN A 92 9.377 -3.639 0.830 1.00 10.54 C ATOM 1281 OD1 ASN A 92 10.059 -4.466 1.435 1.00 11.11 O ATOM 1282 ND2 ASN A 92 8.351 -3.980 0.062 1.00 53.33 N ATOM 0 H ASN A 92 9.544 -0.106 2.818 1.00 3.41 H new ATOM 0 HA ASN A 92 7.775 -1.186 0.702 1.00 71.42 H new ATOM 0 HB2 ASN A 92 9.938 -1.770 -0.051 1.00 0.50 H new ATOM 0 HB3 ASN A 92 10.550 -2.010 1.573 1.00 0.50 H new ATOM 0 HD21 ASN A 92 8.099 -4.963 -0.046 1.00 53.33 H new ATOM 0 HD22 ASN A 92 7.814 -3.260 -0.421 1.00 53.33 H new ATOM 1288 N TYR A 93 6.548 -2.476 2.402 1.00 21.31 N ATOM 1289 CA TYR A 93 5.783 -3.230 3.387 1.00 24.02 C ATOM 1290 C TYR A 93 5.039 -4.386 2.728 1.00 5.42 C ATOM 1291 O TYR A 93 4.182 -4.178 1.869 1.00 63.35 O ATOM 1292 CB TYR A 93 4.792 -2.313 4.105 1.00 2.22 C ATOM 1293 CG TYR A 93 5.452 -1.287 4.997 1.00 75.05 C ATOM 1294 CD1 TYR A 93 6.239 -0.274 4.461 1.00 0.13 C ATOM 1295 CD2 TYR A 93 5.290 -1.329 6.377 1.00 41.21 C ATOM 1296 CE1 TYR A 93 6.845 0.665 5.272 1.00 34.41 C ATOM 1297 CE2 TYR A 93 5.892 -0.393 7.195 1.00 73.43 C ATOM 1298 CZ TYR A 93 6.669 0.602 6.638 1.00 22.23 C ATOM 1299 OH TYR A 93 7.270 1.537 7.450 1.00 1.03 O ATOM 0 H TYR A 93 6.026 -2.229 1.562 1.00 21.31 H new ATOM 0 HA TYR A 93 6.481 -3.640 4.117 1.00 24.02 H new ATOM 0 HB2 TYR A 93 4.183 -1.798 3.362 1.00 2.22 H new ATOM 0 HB3 TYR A 93 4.116 -2.922 4.705 1.00 2.22 H new ATOM 0 HD1 TYR A 93 6.379 -0.221 3.391 1.00 0.13 H new ATOM 0 HD2 TYR A 93 4.683 -2.107 6.817 1.00 41.21 H new ATOM 0 HE1 TYR A 93 7.454 1.445 4.839 1.00 34.41 H new ATOM 0 HE2 TYR A 93 5.755 -0.440 8.265 1.00 73.43 H new ATOM 0 HH TYR A 93 7.044 1.351 8.385 1.00 1.03 H new ATOM 1308 N ARG A 94 5.371 -5.606 3.138 1.00 42.22 N ATOM 1309 CA ARG A 94 4.734 -6.797 2.587 1.00 12.54 C ATOM 1310 C ARG A 94 3.461 -7.137 3.356 1.00 44.33 C ATOM 1311 O ARG A 94 3.447 -7.141 4.587 1.00 14.10 O ATOM 1312 CB ARG A 94 5.700 -7.983 2.630 1.00 24.10 C ATOM 1313 CG ARG A 94 6.320 -8.215 3.998 1.00 11.32 C ATOM 1314 CD ARG A 94 7.838 -8.270 3.920 1.00 30.20 C ATOM 1315 NE ARG A 94 8.420 -8.979 5.057 1.00 43.21 N ATOM 1316 CZ ARG A 94 8.462 -10.303 5.152 1.00 10.21 C ATOM 1317 NH1 ARG A 94 7.962 -11.058 4.184 1.00 11.02 N ATOM 1318 NH2 ARG A 94 9.009 -10.875 6.218 1.00 30.55 N ATOM 0 H ARG A 94 6.077 -5.796 3.849 1.00 42.22 H new ATOM 0 HA ARG A 94 4.468 -6.590 1.550 1.00 12.54 H new ATOM 0 HB2 ARG A 94 5.169 -8.884 2.324 1.00 24.10 H new ATOM 0 HB3 ARG A 94 6.496 -7.819 1.903 1.00 24.10 H new ATOM 0 HG2 ARG A 94 6.018 -7.416 4.676 1.00 11.32 H new ATOM 0 HG3 ARG A 94 5.942 -9.148 4.416 1.00 11.32 H new ATOM 0 HD2 ARG A 94 8.136 -8.763 2.995 1.00 30.20 H new ATOM 0 HD3 ARG A 94 8.236 -7.256 3.883 1.00 30.20 H new ATOM 0 HE ARG A 94 8.815 -8.428 5.819 1.00 43.21 H new ATOM 0 HH11 ARG A 94 7.543 -10.622 3.362 1.00 11.02 H new ATOM 0 HH12 ARG A 94 7.996 -12.075 4.261 1.00 11.02 H new ATOM 0 HH21 ARG A 94 9.397 -10.298 6.964 1.00 30.55 H new ATOM 0 HH22 ARG A 94 9.041 -11.892 6.291 1.00 30.55 H new ATOM 1329 N VAL A 95 2.390 -7.421 2.620 1.00 42.21 N ATOM 1330 CA VAL A 95 1.112 -7.762 3.232 1.00 42.33 C ATOM 1331 C VAL A 95 0.655 -9.154 2.810 1.00 71.22 C ATOM 1332 O VAL A 95 0.780 -9.533 1.644 1.00 31.22 O ATOM 1333 CB VAL A 95 0.020 -6.740 2.859 1.00 45.32 C ATOM 1334 CG1 VAL A 95 -1.335 -7.193 3.380 1.00 45.23 C ATOM 1335 CG2 VAL A 95 0.375 -5.362 3.397 1.00 42.23 C ATOM 0 H VAL A 95 2.383 -7.421 1.600 1.00 42.21 H new ATOM 0 HA VAL A 95 1.263 -7.744 4.311 1.00 42.33 H new ATOM 0 HB VAL A 95 -0.039 -6.676 1.772 1.00 45.32 H new ATOM 0 HG11 VAL A 95 -2.094 -6.459 3.107 1.00 45.23 H new ATOM 0 HG12 VAL A 95 -1.589 -8.158 2.942 1.00 45.23 H new ATOM 0 HG13 VAL A 95 -1.295 -7.287 4.465 1.00 45.23 H new ATOM 0 HG21 VAL A 95 -0.407 -4.653 3.125 1.00 42.23 H new ATOM 0 HG22 VAL A 95 0.462 -5.407 4.483 1.00 42.23 H new ATOM 0 HG23 VAL A 95 1.324 -5.038 2.970 1.00 42.23 H new ATOM 1345 N ARG A 96 0.125 -9.913 3.764 1.00 31.42 N ATOM 1346 CA ARG A 96 -0.351 -11.263 3.491 1.00 74.00 C ATOM 1347 C ARG A 96 -1.757 -11.468 4.046 1.00 60.40 C ATOM 1348 O ARG A 96 -2.018 -11.200 5.219 1.00 0.05 O ATOM 1349 CB ARG A 96 0.603 -12.294 4.098 1.00 55.51 C ATOM 1350 CG ARG A 96 1.392 -13.079 3.061 1.00 33.31 C ATOM 1351 CD ARG A 96 2.390 -12.192 2.334 1.00 43.34 C ATOM 1352 NE ARG A 96 3.707 -12.816 2.236 1.00 51.32 N ATOM 1353 CZ ARG A 96 4.546 -12.927 3.260 1.00 15.15 C ATOM 1354 NH1 ARG A 96 4.207 -12.456 4.453 1.00 1.14 N ATOM 1355 NH2 ARG A 96 5.727 -13.509 3.093 1.00 30.31 N ATOM 0 H ARG A 96 0.015 -9.615 4.733 1.00 31.42 H new ATOM 0 HA ARG A 96 -0.383 -11.398 2.410 1.00 74.00 H new ATOM 0 HB2 ARG A 96 1.300 -11.784 4.763 1.00 55.51 H new ATOM 0 HB3 ARG A 96 0.030 -12.991 4.710 1.00 55.51 H new ATOM 0 HG2 ARG A 96 1.919 -13.899 3.548 1.00 33.31 H new ATOM 0 HG3 ARG A 96 0.706 -13.524 2.340 1.00 33.31 H new ATOM 0 HD2 ARG A 96 2.018 -11.972 1.333 1.00 43.34 H new ATOM 0 HD3 ARG A 96 2.478 -11.240 2.858 1.00 43.34 H new ATOM 0 HE ARG A 96 3.999 -13.187 1.332 1.00 51.32 H new ATOM 0 HH11 ARG A 96 3.301 -12.008 4.585 1.00 1.14 H new ATOM 0 HH12 ARG A 96 4.853 -12.542 5.238 1.00 1.14 H new ATOM 0 HH21 ARG A 96 5.992 -13.872 2.177 1.00 30.31 H new ATOM 0 HH22 ARG A 96 6.370 -13.593 3.880 1.00 30.31 H new ATOM 1366 N VAL A 97 -2.661 -11.943 3.196 1.00 75.52 N ATOM 1367 CA VAL A 97 -4.040 -12.182 3.600 1.00 3.23 C ATOM 1368 C VAL A 97 -4.205 -13.578 4.190 1.00 52.22 C ATOM 1369 O VAL A 97 -3.235 -14.326 4.323 1.00 52.33 O ATOM 1370 CB VAL A 97 -5.010 -12.021 2.413 1.00 33.15 C ATOM 1371 CG1 VAL A 97 -4.909 -10.620 1.829 1.00 22.13 C ATOM 1372 CG2 VAL A 97 -4.731 -13.072 1.351 1.00 14.54 C ATOM 0 H VAL A 97 -2.462 -12.170 2.222 1.00 75.52 H new ATOM 0 HA VAL A 97 -4.280 -11.438 4.359 1.00 3.23 H new ATOM 0 HB VAL A 97 -6.028 -12.166 2.775 1.00 33.15 H new ATOM 0 HG11 VAL A 97 -5.601 -10.524 0.992 1.00 22.13 H new ATOM 0 HG12 VAL A 97 -5.163 -9.887 2.595 1.00 22.13 H new ATOM 0 HG13 VAL A 97 -3.891 -10.443 1.481 1.00 22.13 H new ATOM 0 HG21 VAL A 97 -5.425 -12.943 0.521 1.00 14.54 H new ATOM 0 HG22 VAL A 97 -3.709 -12.962 0.990 1.00 14.54 H new ATOM 0 HG23 VAL A 97 -4.859 -14.066 1.780 1.00 14.54 H new ATOM 1382 N TYR A 98 -5.439 -13.924 4.541 1.00 55.52 N ATOM 1383 CA TYR A 98 -5.730 -15.231 5.119 1.00 2.05 C ATOM 1384 C TYR A 98 -5.358 -16.350 4.152 1.00 62.04 C ATOM 1385 O TYR A 98 -4.310 -16.980 4.289 1.00 60.13 O ATOM 1386 CB TYR A 98 -7.211 -15.331 5.486 1.00 34.21 C ATOM 1387 CG TYR A 98 -7.645 -16.724 5.883 1.00 43.12 C ATOM 1388 CD1 TYR A 98 -6.954 -17.436 6.856 1.00 40.04 C ATOM 1389 CD2 TYR A 98 -8.745 -17.328 5.286 1.00 12.21 C ATOM 1390 CE1 TYR A 98 -7.347 -18.710 7.221 1.00 40.21 C ATOM 1391 CE2 TYR A 98 -9.144 -18.599 5.646 1.00 34.15 C ATOM 1392 CZ TYR A 98 -8.442 -19.287 6.614 1.00 21.13 C ATOM 1393 OH TYR A 98 -8.835 -20.555 6.975 1.00 62.51 O ATOM 0 H TYR A 98 -6.253 -13.318 4.436 1.00 55.52 H new ATOM 0 HA TYR A 98 -5.130 -15.342 6.022 1.00 2.05 H new ATOM 0 HB2 TYR A 98 -7.420 -14.647 6.308 1.00 34.21 H new ATOM 0 HB3 TYR A 98 -7.810 -15.001 4.637 1.00 34.21 H new ATOM 0 HD1 TYR A 98 -6.096 -16.987 7.335 1.00 40.04 H new ATOM 0 HD2 TYR A 98 -9.297 -16.793 4.527 1.00 12.21 H new ATOM 0 HE1 TYR A 98 -6.799 -19.251 7.978 1.00 40.21 H new ATOM 0 HE2 TYR A 98 -10.002 -19.053 5.172 1.00 34.15 H new ATOM 0 HH TYR A 98 -9.624 -20.814 6.454 1.00 62.51 H new ATOM 1402 N GLN A 99 -6.225 -16.590 3.172 1.00 13.24 N ATOM 1403 CA GLN A 99 -5.988 -17.632 2.181 1.00 4.14 C ATOM 1404 C GLN A 99 -4.878 -17.226 1.218 1.00 44.31 C ATOM 1405 O GLN A 99 -4.757 -16.056 0.853 1.00 22.23 O ATOM 1406 CB GLN A 99 -7.272 -17.928 1.404 1.00 13.24 C ATOM 1407 CG GLN A 99 -7.150 -19.109 0.455 1.00 63.03 C ATOM 1408 CD GLN A 99 -7.310 -20.443 1.159 1.00 32.42 C ATOM 1409 OE1 GLN A 99 -6.275 -20.861 1.877 1.00 2.45 O flip ATOM 1410 NE2 GLN A 99 -8.354 -21.089 1.058 1.00 12.34 N flip ATOM 0 H GLN A 99 -7.097 -16.077 3.044 1.00 13.24 H new ATOM 0 HA GLN A 99 -5.674 -18.534 2.707 1.00 4.14 H new ATOM 0 HB2 GLN A 99 -8.078 -18.123 2.111 1.00 13.24 H new ATOM 0 HB3 GLN A 99 -7.555 -17.043 0.835 1.00 13.24 H new ATOM 0 HG2 GLN A 99 -7.905 -19.022 -0.326 1.00 63.03 H new ATOM 0 HG3 GLN A 99 -6.178 -19.076 -0.037 1.00 63.03 H new ATOM 0 HE21 GLN A 99 -9.124 -20.729 0.495 1.00 12.34 H new ATOM 0 HE22 GLN A 99 -8.448 -21.984 1.538 1.00 12.34 H new ATOM 1417 N ILE A 100 -4.070 -18.198 0.808 1.00 32.15 N ATOM 1418 CA ILE A 100 -2.971 -17.940 -0.113 1.00 30.12 C ATOM 1419 C ILE A 100 -3.111 -18.774 -1.381 1.00 51.52 C ATOM 1420 O ILE A 100 -3.804 -19.792 -1.413 1.00 35.52 O ATOM 1421 CB ILE A 100 -1.609 -18.241 0.538 1.00 35.11 C ATOM 1422 CG1 ILE A 100 -1.791 -19.131 1.769 1.00 54.31 C ATOM 1423 CG2 ILE A 100 -0.904 -16.945 0.915 1.00 43.44 C ATOM 1424 CD1 ILE A 100 -0.487 -19.529 2.426 1.00 24.55 C ATOM 0 H ILE A 100 -4.156 -19.172 1.100 1.00 32.15 H new ATOM 0 HA ILE A 100 -3.015 -16.882 -0.370 1.00 30.12 H new ATOM 0 HB ILE A 100 -0.989 -18.774 -0.183 1.00 35.11 H new ATOM 0 HG12 ILE A 100 -2.410 -18.607 2.497 1.00 54.31 H new ATOM 0 HG13 ILE A 100 -2.332 -20.032 1.479 1.00 54.31 H new ATOM 0 HG21 ILE A 100 0.058 -17.174 1.374 1.00 43.44 H new ATOM 0 HG22 ILE A 100 -0.745 -16.344 0.020 1.00 43.44 H new ATOM 0 HG23 ILE A 100 -1.520 -16.388 1.621 1.00 43.44 H new ATOM 0 HD11 ILE A 100 -0.693 -20.159 3.291 1.00 24.55 H new ATOM 0 HD12 ILE A 100 0.126 -20.081 1.713 1.00 24.55 H new ATOM 0 HD13 ILE A 100 0.046 -18.634 2.747 1.00 24.55 H new ATOM 1435 N PRO A 101 -2.436 -18.336 -2.455 1.00 52.42 N ATOM 1436 CA PRO A 101 -2.466 -19.030 -3.746 1.00 42.13 C ATOM 1437 C PRO A 101 -1.729 -20.365 -3.706 1.00 22.34 C ATOM 1438 O PRO A 101 -1.170 -20.744 -2.678 1.00 41.52 O ATOM 1439 CB PRO A 101 -1.754 -18.056 -4.689 1.00 20.13 C ATOM 1440 CG PRO A 101 -0.866 -17.252 -3.803 1.00 23.13 C ATOM 1441 CD PRO A 101 -1.589 -17.132 -2.489 1.00 64.41 C ATOM 0 HA PRO A 101 -3.483 -19.276 -4.052 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -1.180 -18.588 -5.448 1.00 20.13 H new ATOM 0 HB3 PRO A 101 -2.467 -17.422 -5.215 1.00 20.13 H new ATOM 0 HG2 PRO A 101 0.100 -17.739 -3.673 1.00 23.13 H new ATOM 0 HG3 PRO A 101 -0.672 -16.269 -4.233 1.00 23.13 H new ATOM 0 HD2 PRO A 101 -0.895 -17.105 -1.649 1.00 64.41 H new ATOM 0 HD3 PRO A 101 -2.184 -16.220 -2.440 1.00 64.41 H new